A0A093HBH5_STRCA Loading...

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform

AlphaFold DB , UniProt , Accession A0A093HBH5, Species STRCA (Struthio camelus australis), Gene n/a, Length 1,106 aa.

						>A0A093HBH5_STRCA|A0A093HBH5
MELGDYEQPVVMREENKRRRRRMKPHCTSSNLSSMELISIEFILPTSNKHTKVPEMMLLEIAGNCTVEQMKAQIWMRAIEMSQTTDFYHAFTPDQFILQYQKKGQWYEIYDKHQVLQTLDCILYWKVLQKKVGKIYVVQKQKPSEEVQEFQRQLNDLIGYDVTDVSNVHDDELEFTRRRLVTPRMIEVACRDPKLYAMHPWTTSKPLPEYLFKKITNNNIFIIIHRGTTSQKIKVSIDDTPDMILHSFFTKMAKKKSLMDIPEDHSELDFVLRICGRDEYITGETPIKDFHWIRQCLKNGEEIHLVLDNPPDPNEDEVQKEEWPLVDDCTGVTGYHEQLTIDGKDHERVFTISLWDCNRKFRVKIIGIDIPVLPRNTDLTVFVEANIQHGQQLLSQRRTSSKPFTEEVLWNVWLEFDIKIKDLPKGALLNLQIYCGKAQGLSTKTNLQSHESPNSDLKCKTQLLYYVNLLLIDHRFLLRSGEYVLHMWKIPGKGEEQGSINADKLTSATNPDKENSMAISIVLDRYCHPIALPKHRITSDPQGDRTRAEMPNQLRKQLEEIIATDPLNPLSPEDKELLWHFRYESIKHPKAYPKLLSSVKWGQQEIVAKTYQLLAKKEVWDQSTLDVGLTMQLLDCNFSDENVRAMAVQKLESLEDDDVLHYLLQLVQAVKFEPYHDSALARFLLRRGLRNKRIGHFLFWFLRSEIAQSMHYQQRFAVILEAYLRGCGKAMLQDFMKQVQVIELLHKVTMEIKSASAEKYDVTSQVIMQLRQKLERLQSSKLPESFRVPYDPGLRAGALVIEKCKVMASKKKPLWLEFKCADATALSNETIGIIFKHGDDLRQDMLILQILRIMESIWEAESLDLCLLPYGCISTGNKIGMIEIVKDATTIAKIQQSTVGNTGAFKDEILNQWLKERCVIEEKFQAAVERFVYSCAGYCVATFVLGIGDRHNDNIMITETGNLFHIDFGHILGNYKSFLGINKERVPFVLTPDFLFVMGTSGKKTSLHFHKFQDVCVKAYLALRHHTNLLIILFSMMLMTGMPQLTSKEDIEYIRDALTVGKSEEDAKKHFLDQIEVCRDKGWTVQFNWFLHLVLGIKQGVEKHSA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28	Very low	30.3	Very low	252 Å²	252	163.3 Å²	163.3	100%	1.241	86%	0.861	S	S	*	*				0	139.7	0	-98.6	175.9	-144.2	0	0	107.6
2	E	29.7	Very low	29.7	Very low	177 Å²	177	164.3 Å²	164.3	83%	0.827	86%	0.862	S	S	*	*			trans	-64.1	150	-161.2	-67.9	169.2	142	0	0	116.9
3	L	32.8	Very low	29.4	Very low	156 Å²	156	169.2 Å²	169.2	82%	0.817	86%	0.862	S	S	*	*			trans	63.9	137.5	134	-70	163.7	0	0	0	123.3
4	G	27.4	Very low	29	Very low	78 Å²	78	169.1 Å²	169.1	80%	0.804	86%	0.856	S	S	*	*			trans	171.6	88.3	156.2	0	0	0	0	0	112.2
5	D	39.5	Very low	28.7	Very low	141 Å²	141	170.7 Å²	170.7	75%	0.754	86%	0.859	S	S	*	*			trans	-62.2	154.4	173.3	-78.5	-39.5	0	0	0	113.2
6	Y	28.3	Very low	28.5	Very low	243 Å²	243	168.9 Å²	168.9	95%	0.953	85%	0.853	S	S	*	*			trans	-170.1	135.9	136.2	-100.1	-71.3	0	0	0	111.9
7	E	30.4	Very low	28.4	Very low	193 Å²	193	170.2 Å²	170.2	90%	0.902	85%	0.851	S	S	*	*			trans	-74.6	154.9	-175.9	-70	179.6	138.5	0	0	115.6
8	Q	28.4	Very low	28.3	Very low	174 Å²	174	174.8 Å²	174.8	81%	0.813	86%	0.857	S	S	*	*			trans	-100.9	171.4	163.7	-100.8	-168.8	14.4	0	0	109.4
9	P	37.6	Very low	28.3	Very low	109 Å²	109	176.8 Å²	176.8	71%	0.708	86%	0.855	S	S	*	*			cis	-149.5	165	34.6	24	4.2	0	0	0	120.6
10	V	26.3	Very low	28.2	Very low	129 Å²	129	178.3 Å²	178.3	78%	0.782	85%	0.851	S	S	*	*			trans	71.1	118.1	138.1	177.4	0	0	0	0	121.1
11	V	25	Very low	28.1	Very low	144 Å²	144	182.1 Å²	182.1	87%	0.873	86%	0.857	S	S	*	*			trans	-137.7	149.6	165.3	175.2	0	0	0	0	112
12	M	23	Very low	28.1	Very low	176 Å²	176	181.3 Å²	181.3	87%	0.867	84%	0.84	S	S	*	*			trans	-50.7	160.9	-179.6	-66.8	-85.1	-152.3	0	0	119.7
13	R	25.3	Very low	27.9	Very low	228 Å²	228	182 Å²	182	86%	0.86	85%	0.845	S	S	*	*			trans	-50.3	155.1	153.4	-88.4	174.7	168.2	170.5	-2	111.8
14	E	24.9	Very low	27.4	Very low	168 Å²	168	183.8 Å²	183.8	79%	0.785	85%	0.846	S	S	*	*				-176.1	148.6	53.6	-145.9	172.2	-141.5	0	0	110
15	E	24.4	Very low	27.4	Very low	192 Å²	192	186 Å²	186	90%	0.897	85%	0.846	S	S	*	*			trans	179.2	105.2	140.4	-103.4	-167	167.1	0	0	115.5
16	N	25.3	Very low	26.7	Very low	143 Å²	143	188.2 Å²	188.2	77%	0.765	85%	0.852	S	S	*	*				26.6	128.7	129.5	-90.6	-32	0	0	0	126.6
17	K	25.9	Very low	26.5	Very low	190 Å²	190	181.8 Å²	181.8	83%	0.826	84%	0.841	S	S	*	*				137	127.1	129.4	-78.8	164.5	-175.1	167.1	0	112.3
18	R	27.2	Very low	26.2	Very low	253 Å²	253	178 Å²	178	96%	0.955	83%	0.831	S	S	*	*				-163.5	151.1	68.1	-81.1	-179.6	171.2	173.4	-2.9	114
19	R	27.6	Very low	26.3	Very low	214 Å²	214	176 Å²	176	81%	0.808	84%	0.837	S	S	*	*			trans	-61.1	171.2	174.2	-68.5	171.2	169.1	175.6	-3.3	114.3
20	R	27.3	Very low	26	Very low	206 Å²	206	174.6 Å²	174.6	78%	0.777	83%	0.83	S	S	*	*			cis	177.7	143	-12.6	-99.4	175.9	173.6	176.8	-2	106.5
21	R	26.6	Very low	26.1	Very low	258 Å²	258	176.1 Å²	176.1	97%	0.974	83%	0.834	S	S	*	*			trans	-162	143.7	130	-111.6	178.2	-176.3	-176.6	1.4	111.5
22	R	27.1	Very low	26.8	Very low	235 Å²	235	177 Å²	177	89%	0.887	83%	0.832	S	S	*	*			trans	-83.8	143.8	-157.9	-75.2	162	158.8	172.9	-6.8	114.7
23	M	24.8	Very low	27.7	Very low	191 Å²	191	173.8 Å²	173.8	94%	0.941	83%	0.827	S	S	*	*			trans	-120.2	139.5	132.1	-82.5	-173.9	83.1	0	0	108.5
24	K	24.3	Very low	28.6	Very low	194 Å²	194	168.1 Å²	168.1	84%	0.843	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-71.2	137.7	-176.2	-73.7	175.2	173.1	178.1	0	111
25	P	26.6	Very low	30.2	Very low	124 Å²	124	162.8 Å²	162.8	81%	0.805	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-77.8	134.8	160.9	32.3	-28.7	0	0	0	108.9
26	H	24.2	Very low	32.4	Very low	189 Å²	189	158.1 Å²	158.1	88%	0.875	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-81.8	125.8	171.6	-129	41	0	0	0	109
27	C	24.2	Very low	35.2	Very low	107 Å²	107	156.1 Å²	156.1	72%	0.723	77%	0.766	S	S	*	*			trans	12.7	108.8	166.1	-85.9	0	0	0	0	121.2
28	T	25.2	Very low	38.1	Very low	113 Å²	113	147.9 Å²	147.9	69%	0.693	73%	0.73	S	S	*	*				47.5	91.9	121.1	57.6	0	0	0	0	119.3	S30	T28-S30 PolarHBondContact O-N 3.25Å
29	S	29.6	Very low	41.2	Very low	132 Å²	132	137.3 Å²	137.3	92%	0.923	70%	0.695	S	S	*	*			trans	-86.9	46.2	154.5	62	0	0	0	0	111.9
30	S	30.8	Very low	44.3	Very low	81 Å²	81	127.1 Å²	127.1	57%	0.566	66%	0.657	S	S	*	*			trans	-112.3	89	179	57.8	0	0	0	0	109.3	T28	T28-S30 PolarHBondContact O-N 3.25Å
31	N	30.1	Very low	47.6	Very low	161 Å²	161	119.6 Å²	119.6	86%	0.861	63%	0.63	S	S	*	*			trans	-179.3	52.2	156.4	-92.4	-7.7	0	0	0	112.2
32	L	39.3	Very low	50.8	Low	161 Å²	161	107.3 Å²	107.3	84%	0.843	58%	0.584	S	S	*	*			trans	-137.7	89.9	164.7	-92.6	121.1	0	0	0	108.4
33	S	40.4	Very low	54	Low	110 Å²	110	97 Å²	97	77%	0.769	55%	0.547	S	S	*	.			trans	170	59.9	154.5	173.5	0	0	0	0	111.3
34	S	44.2	Very low	57.3	Low	109 Å²	109	88.5 Å²	88.5	76%	0.762	51%	0.505	S	S	*	.	S	Bend	trans	-125.8	124.1	150.8	61.5	0	0	0	0	106.5	E36	S34-E36 PolarHBondContact O-N 2.83Å; S34-E36 VanDerWaalsContact O-N 3.13Å
35	M	59.1	Low	60.3	Low	56 Å²	56	81.5 Å²	81.5	28%	0.276	48%	0.479	S	S	.	.			trans	-52.4	120.8	172.1	-79.2	179.1	157.2	0	0	108.7	L37 N64 K344 R348	M35-L37 PolarHBondContact O-N 2.85Å; M35-L37 VanDerWaalsContact O-N 3.1Å; M35-N64 VanDerWaalsContact CE-ND2 3.35Å; M35-N64 WeakPolarHBondContact CE-ND2 3.39Å; M35-K344 HydrophobicContact CE-CD 4.23Å; M35-R348 HydrophobicContact CE-CB 3.57Å; M35-R348 WeakPolarHBondContact CE-O 3.48Å; M35-R348 HydrophobicContact SD-CB 3.5Å; M35-R348 VanDerWaalsContact SD-CB 3.5Å; M35-R348 HydrophobicContact SD-CG 4.26Å
36	E	71.3	Confident	63.2	Low	93 Å²	93	76 Å²	76	44%	0.435	44%	0.443	S	S	.	.			trans	-67	110.3	-177.9	-167.4	-179.6	179.7	0	0	108.5	S34 G63 K126	S34-E36 PolarHBondContact O-N 2.83Å; S34-E36 VanDerWaalsContact O-N 3.13Å; E36-G63 PolarHBondContact O-N 3.26Å; E36-K126 WeakPolarHBondContact OE1-CE 3.31Å; E36-K126 IonicContact OE1-NZ 3.11Å; E36-K126 PolarHBondContact OE1-NZ 3.05Å; E36-K126 IonicContact OE2-NZ 2.72Å; E36-K126 PolarHBondContact OE2-NZ 3.44Å
37	L	83.9	Confident	66	Low	102 Å²	102	69.6 Å²	69.6	53%	0.534	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130.8	168.8	-69.7	171.8	0	0	0	108.3	M35	M35-L37 PolarHBondContact O-N 2.85Å; M35-L37 VanDerWaalsContact O-N 3.1Å
38	I	86.4	Confident	68.5	Low	16 Å²	16	66.6 Å²	66.6	8%	0.082	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.2	-178.5	-55.2	174.7	0	0	0	107.7	I40 I61 L116 Q117 I122	I38-I40 HydrophobicContact CG2-CD1 4.03Å; I38-I40 HydrophobicContact CG2-CG1 3.81Å; I38-I61 PolarHBondContact N-O 3.1Å; I38-I61 PolarHBondContact O-N 3.3Å; I38-L116 HydrophobicContact CB-CD2 4.47Å; I38-L116 HydrophobicContact CD1-CD2 4.15Å; I38-L116 HydrophobicContact CD1-CG 4.06Å; I38-Q117 HydrophobicContact CD1-CB 4.25Å; I38-I122 HydrophobicContact CD1-CG1 4.47Å; I38-I122 HydrophobicContact CD1-CG2 4.05Å; I38-I122 HydrophobicContact CG2-CD1 3.77Å
39	S	91.4	Very high	70.5	Confident	32 Å²	32	68 Å²	68	22%	0.224	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.3	176.3	-48.6	0	0	0	0	110.6	L59	S39-L59 WeakPolarHBondContact CA-O 3.03Å
40	I	94.1	Very high	72.3	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.7	-176.8	-53.4	176.6	0	0	0	110	I38 F42 L59 M70 L116 I122 I135	I38-I40 HydrophobicContact CG2-CD1 4.03Å; I38-I40 HydrophobicContact CG2-CG1 3.81Å; I40-F42 HydrophobicContact CB-CD2 4.48Å; I40-F42 HydrophobicContact CB-CE2 3.73Å; I40-F42 HydrophobicContact CB-CZ 3.87Å; I40-F42 HydrophobicContact CD1-CZ 4.27Å; I40-F42 HydrophobicContact CG2-CD1 4.46Å; I40-F42 HydrophobicContact CG2-CD2 4.28Å; I40-F42 HydrophobicContact CG2-CE1 3.95Å; I40-F42 HydrophobicContact CG2-CE2 3.75Å; I40-F42 HydrophobicContact CG2-CZ 3.58Å; I40-L59 PolarHBondContact N-O 2.89Å; I40-L59 PolarHBondContact O-N 2.87Å; I40-M70 HydrophobicContact CD1-SD 4.32Å; I40-L116 HydrophobicContact CD1-CD1 4.09Å; I40-L116 HydrophobicContact CD1-CD2 4.19Å; I40-I122 HydrophobicContact CD1-CD1 4.06Å; I40-I135 HydrophobicContact CD1-CD1 4.18Å; I40-I135 HydrophobicContact CG2-CB 4.26Å; I40-I135 HydrophobicContact CG2-CD1 3.71Å; I40-I135 HydrophobicContact CG2-CG1 3.72Å
41	E	95.6	Very high	74.4	Confident	47 Å²	47	69.9 Å²	69.9	22%	0.22	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.2	170.5	-175.6	-179.7	-113.8	0	0	109.6	M57 L58 V132 G133 K134 I135	E41-M57 CarbonylContact C-O 3.29Å; E41-M57 WeakPolarHBondContact CA-O 3.48Å; E41-L58 HydrophobicContact CB-CD1 4.42Å; E41-V132 HydrophobicContact CB-CG1 3.92Å; E41-G133 PolarHBondContact N-O 3.47Å; E41-K134 HydrophobicContact CB-CG 4.5Å; E41-K134 CarbonylContact O-C 3.51Å; E41-K134 VanDerWaalsContact O-CA 3.29Å; E41-K134 WeakPolarHBondContact O-CA 3.26Å; E41-K134 WeakPolarHBondContact OE2-CE 3.15Å; E41-K134 WeakPolarHBondContact OE2-CG 3.45Å; E41-K134 IonicContact OE2-NZ 3.09Å; E41-K134 PolarHBondContact OE2-NZ 2.74Å; E41-I135 PolarHBondContact O-N 2.87Å
42	F	94.8	Very high	76.4	Confident	0 Å²	0	71 Å²	71	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.7	176.7	-66	-80.9	0	0	0	110.4	I40 M56 M57 L59 I61 M70 I74 I135	I40-F42 HydrophobicContact CB-CD2 4.48Å; I40-F42 HydrophobicContact CB-CE2 3.73Å; I40-F42 HydrophobicContact CB-CZ 3.87Å; I40-F42 HydrophobicContact CD1-CZ 4.27Å; I40-F42 HydrophobicContact CG2-CD1 4.46Å; I40-F42 HydrophobicContact CG2-CD2 4.28Å; I40-F42 HydrophobicContact CG2-CE1 3.95Å; I40-F42 HydrophobicContact CG2-CE2 3.75Å; I40-F42 HydrophobicContact CG2-CZ 3.58Å; F42-M56 CarbonylContact O-C 3.58Å; F42-M56 VanDerWaalsContact O-CA 3.32Å; F42-M56 WeakPolarHBondContact O-CA 3.45Å; F42-M57 HydrophobicContact CB-CE 4.4Å; F42-M57 PolarHBondContact N-O 3.27Å; F42-M57 PolarHBondContact O-N 3.02Å; F42-L59 HydrophobicContact CD2-CB 4.31Å; F42-L59 HydrophobicContact CD2-CD1 3.99Å; F42-L59 HydrophobicContact CD2-CG 4.18Å; F42-L59 HydrophobicContact CE2-CB 4Å; F42-L59 HydrophobicContact CE2-CD1 3.94Å; F42-L59 HydrophobicContact CE2-CG 4.26Å; F42-I61 HydrophobicContact CE2-CD1 3.96Å; F42-I61 HydrophobicContact CZ-CD1 3.94Å; F42-M70 HydrophobicContact CE1-CG 4.48Å; F42-M70 HydrophobicContact CE1-SD 4.07Å; F42-M70 HydrophobicContact CZ-CG 4.07Å; F42-M70 HydrophobicContact CZ-SD 3.72Å; F42-I74 HydrophobicContact CD1-CD1 3.45Å; F42-I74 VanDerWaalsContact CD1-CD1 3.45Å; F42-I74 HydrophobicContact CD1-CG1 3.94Å; F42-I74 HydrophobicContact CD2-CD1 4.42Å; F42-I74 HydrophobicContact CD2-CG1 4.08Å; F42-I74 HydrophobicContact CE1-CD1 3.15Å; F42-I74 HydrophobicContact CE1-CG1 3.86Å; F42-I74 HydrophobicContact CE2-CD1 4.18Å; F42-I74 HydrophobicContact CE2-CG1 3.99Å; F42-I74 HydrophobicContact CG-CD1 4.09Å; F42-I74 HydrophobicContact CG-CG1 4.05Å; F42-I74 HydrophobicContact CZ-CD1 3.56Å; F42-I74 HydrophobicContact CZ-CG1 3.88Å; F42-I135 CarbonylContact C-O 3.35Å; F42-I135 VanDerWaalsContact CA-O 3.31Å; F42-I135 WeakPolarHBondContact CA-O 3.48Å; F42-I135 HydrophobicContact CD1-CB 3.74Å; F42-I135 HydrophobicContact CD1-CG2 3.98Å; F42-I135 HydrophobicContact CE1-CB 3.73Å; F42-I135 HydrophobicContact CE1-CD1 3.81Å; F42-I135 HydrophobicContact CE1-CG1 4.22Å; F42-I135 HydrophobicContact CE1-CG2 3.92Å; F42-I135 HydrophobicContact CZ-CD1 4.3Å
43	I	94.6	Very high	78.4	Confident	20 Å²	20	66.9 Å²	66.9	10%	0.103	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	114.2	173.6	-62.9	168.8	0	0	0	107.2	P54 M56 K134 I135 Y136 V137	I43-P54 HydrophobicContact CG2-CB 3.76Å; I43-P54 HydrophobicContact CG2-CG 4.46Å; I43-M56 HydrophobicContact CG1-CG 4.21Å; I43-K134 HydrophobicContact CD1-CD 4.23Å; I43-I135 PolarHBondContact N-O 3.22Å; I43-Y136 HydrophobicContact CB-CD1 3.81Å; I43-Y136 HydrophobicContact CB-CE1 4.17Å; I43-Y136 HydrophobicContact CB-CG 4.29Å; I43-Y136 HydrophobicContact CD1-CD1 3.71Å; I43-Y136 HydrophobicContact CD1-CD2 4.39Å; I43-Y136 HydrophobicContact CD1-CE1 3.18Å; I43-Y136 HydrophobicContact CD1-CE2 3.94Å; I43-Y136 HydrophobicContact CD1-CG 4.29Å; I43-Y136 HydrophobicContact CG1-CD1 4.34Å; I43-Y136 HydrophobicContact CG1-CE1 4.24Å; I43-Y136 HydrophobicContact CG2-CD1 3.84Å; I43-Y136 HydrophobicContact CG2-CE1 4.11Å; I43-V137 PolarHBondContact O-N 3.3Å
44	L	92.4	Very high	80.5	Confident	12 Å²	12	64.5 Å²	64.5	6%	0.063	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	155.8	-173	-64.4	-178.9	0	0	0	111.6	T46 E55 M57 I74 A78 Y88 V137	L44-T46 PolarHBondContact O-N 2.95Å; L44-E55 HydrophobicContact CB-CB 4.12Å; L44-E55 WeakPolarHBondContact CB-O 3.41Å; L44-E55 HydrophobicContact CD1-CB 4.06Å; L44-E55 PolarHBondContact N-O 3.41Å; L44-M57 HydrophobicContact CD2-CE 4.23Å; L44-I74 HydrophobicContact CD2-CG2 4.24Å; L44-A78 HydrophobicContact CD1-CB 4.24Å; L44-A78 HydrophobicContact CD2-CB 4.44Å; L44-Y88 WeakPolarHBondContact CB-OH 3.35Å; L44-V137 HydrophobicContact CD2-CG2 4.31Å
45	P	88.3	Confident	82.6	Confident	46 Å²	46	60.4 Å²	60.4	30%	0.299	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-16.5	177.7	30.8	-38.3	0	0	0	112.9	F87 F96	P45-F87 HydrophobicContact CB-CE1 4.36Å; P45-F87 HydrophobicContact CB-CZ 4.17Å; P45-F87 HydrophobicContact CG-CE1 3.61Å; P45-F87 HydrophobicContact CG-CZ 3.92Å; P45-F96 HydrophobicContact CB-CD1 4.32Å; P45-F96 HydrophobicContact CB-CE1 3.83Å; P45-F96 HydrophobicContact CG-CD1 4.08Å; P45-F96 HydrophobicContact CG-CE1 3.65Å; P45-F96 HydrophobicContact CG-CZ 4.49Å
46	T	86.9	Confident	84.1	Confident	10 Å²	10	62.6 Å²	62.6	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	154.2	177.9	49.9	0	0	0	0	111	L44 E55 T84 F87 Y88	L44-T46 PolarHBondContact O-N 2.95Å; T46-E55 PolarHBondContact O-N 3.07Å; T46-E55 PolarHBondContact OG1-OE2 3.02Å; T46-T84 WeakPolarHBondContact CB-OG1 3.22Å; T46-T84 WeakPolarHBondContact CG2-OG1 3.32Å; T46-F87 HydrophobicContact CG2-CB 4.13Å; T46-F87 HydrophobicContact CG2-CD1 3.52Å; T46-F87 HydrophobicContact CG2-CD2 4.34Å; T46-F87 HydrophobicContact CG2-CE1 3.94Å; T46-F87 HydrophobicContact CG2-CG 3.74Å; T46-F87 HydrophobicContact CG2-CZ 4.48Å; T46-Y88 HydrophobicContact CG2-CE2 3.73Å; T46-Y88 PolarHBondContact OG1-OH 3.41Å; T46-Y88 VanDerWaalsContact OG1-OH 3.12Å
47	S	83.3	Confident	85.1	Confident	54 Å²	54	58.4 Å²	58.4	38%	0.378	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148	177.9	-65.1	0	0	0	0	110.5	K49 V53	S47-K49 PolarHBondContact O-N 3.31Å; S47-V53 WeakPolarHBondContact CA-O 3.49Å
48	N	76.1	Confident	85.5	Confident	44 Å²	44	58.6 Å²	58.6	24%	0.235	31%	0.305	C	S	.	.			trans	-62.8	127.9	176.6	-178.5	-41.5	0	0	0	109.9	H50 T51 K52 V53	N48-H50 PolarHBondContact O-N 3.3Å; N48-H50 PolarHBondContact OD1-N 3.12Å; N48-T51 WeakPolarHBondContact CB-OG1 3.4Å; N48-T51 PolarHBondContact O-N 2.78Å; N48-K52 PolarHBondContact O-N 3.25Å; N48-V53 PolarHBondContact N-O 3.38Å
49	K	68.4	Low	85.8	Confident	143 Å²	143	59 Å²	59	62%	0.622	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.2	-175	-70.2	177.3	176.8	163.4	0	113.4	S47 Q83	S47-K49 PolarHBondContact O-N 3.31Å; K49-Q83 PolarHBondContact NZ-O 3.35Å
50	H	67.3	Low	85.7	Confident	166 Å²	166	63.4 Å²	63.4	77%	0.769	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-36.7	-176.3	-62	-67.2	0	0	0	113.9	N48	N48-H50 PolarHBondContact O-N 3.3Å; N48-H50 PolarHBondContact OD1-N 3.12Å
51	T	73.6	Confident	85.4	Confident	85 Å²	85	63.4 Å²	63.4	52%	0.521	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-12.9	-172.8	60.3	0	0	0	0	113.7	N48 V53	N48-T51 WeakPolarHBondContact CB-OG1 3.4Å; N48-T51 PolarHBondContact O-N 2.78Å; T51-V53 PolarHBondContact O-N 3.19Å; T51-V53 VanDerWaalsContact O-N 3.08Å
52	K	73.3	Confident	84.9	Confident	185 Å²	185	62.2 Å²	62.2	80%	0.804	32%	0.323	S	S	*	.			trans	55.1	16.6	-171	-59.8	-174.2	178.2	-177.7	0	114.2	N48	N48-K52 PolarHBondContact O-N 3.25Å
53	V	81.3	Confident	84.3	Confident	75 Å²	75	62.3 Å²	62.3	46%	0.455	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-85.6	140.8	173.8	-179.1	0	0	0	0	108.4	S47 N48 T51 E55	S47-V53 WeakPolarHBondContact CA-O 3.49Å; N48-V53 PolarHBondContact N-O 3.38Å; T51-V53 PolarHBondContact O-N 3.19Å; T51-V53 VanDerWaalsContact O-N 3.08Å; V53-E55 PolarHBondContact O-N 3.47Å
54	P	83.9	Confident	83.5	Confident	60 Å²	60	62 Å²	62	39%	0.39	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	138.8	174.4	-24.8	33.4	0	0	0	111.6	I43	I43-P54 HydrophobicContact CG2-CB 3.76Å; I43-P54 HydrophobicContact CG2-CG 4.46Å
55	E	88.9	Confident	83.2	Confident	22 Å²	22	61.4 Å²	61.4	10%	0.103	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	138.6	171.9	-66.2	-176.8	156.3	0	0	109.3	L44 T46 V53 S82 Q83	L44-E55 HydrophobicContact CB-CB 4.12Å; L44-E55 WeakPolarHBondContact CB-O 3.41Å; L44-E55 HydrophobicContact CD1-CB 4.06Å; L44-E55 PolarHBondContact N-O 3.41Å; T46-E55 PolarHBondContact O-N 3.07Å; T46-E55 PolarHBondContact OG1-OE2 3.02Å; V53-E55 PolarHBondContact O-N 3.47Å; E55-S82 VanDerWaalsContact OE2-CB 3.32Å; E55-S82 WeakPolarHBondContact OE2-CB 3.05Å; E55-S82 PolarHBondContact OE2-OG 2.85Å; E55-Q83 PolarHBondContact OE1-N 3.26Å
56	M	90.6	Very high	83.1	Confident	102 Å²	102	59.6 Å²	59.6	50%	0.502	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.5	-178.1	-63.7	-177	-67.9	0	0	110.3	F42 I43	F42-M56 CarbonylContact O-C 3.58Å; F42-M56 VanDerWaalsContact O-CA 3.32Å; F42-M56 WeakPolarHBondContact O-CA 3.45Å; I43-M56 HydrophobicContact CG1-CG 4.21Å
57	M	91.5	Very high	83.3	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.025	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	128.1	-178.1	175.7	178	53.4	0	0	110.8	E41 F42 L44 L59 I74 R77 M81	E41-M57 CarbonylContact C-O 3.29Å; E41-M57 WeakPolarHBondContact CA-O 3.48Å; F42-M57 HydrophobicContact CB-CE 4.4Å; F42-M57 PolarHBondContact N-O 3.27Å; F42-M57 PolarHBondContact O-N 3.02Å; L44-M57 HydrophobicContact CD2-CE 4.23Å; M57-L59 HydrophobicContact CE-CD1 3.87Å; M57-L59 HydrophobicContact CE-CG 4.28Å; M57-L59 HydrophobicContact CG-CD2 4.13Å; M57-L59 HydrophobicContact CG-CG 4.04Å; M57-L59 HydrophobicContact SD-CD1 4.19Å; M57-L59 HydrophobicContact SD-CD2 4.02Å; M57-L59 HydrophobicContact SD-CG 4.11Å; M57-I74 HydrophobicContact CE-CB 4.32Å; M57-I74 HydrophobicContact CE-CG2 3.83Å; M57-R77 HydrophobicContact CE-CB 4.35Å; M57-R77 HydrophobicContact CG-CG 4.41Å; M57-R77 HydrophobicContact SD-CB 3.49Å; M57-R77 WeakPolarHBondContact SD-CB 3.39Å; M57-R77 HydrophobicContact SD-CG 3.23Å; M57-R77 WeakPolarHBondContact SD-CG 3.27Å; M57-M81 HydrophobicContact CG-SD 4.36Å; M57-M81 HydrophobicContact SD-SD 4.3Å
58	L	92.8	Very high	83.7	Confident	106 Å²	106	61 Å²	61	56%	0.555	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.7	173.4	-175.7	68.6	0	0	0	109.5	E41 V132	E41-L58 HydrophobicContact CB-CD1 4.42Å; L58-V132 HydrophobicContact CD1-CG1 3.74Å; L58-V132 HydrophobicContact CD1-CG2 4.48Å
59	L	92.4	Very high	84.3	Confident	24 Å²	24	61.6 Å²	61.6	13%	0.126	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.1	174.4	-63.8	177.3	0	0	0	110.9	S39 I40 F42 M57 I61 I74 R77	S39-L59 WeakPolarHBondContact CA-O 3.03Å; I40-L59 PolarHBondContact N-O 2.89Å; I40-L59 PolarHBondContact O-N 2.87Å; F42-L59 HydrophobicContact CD2-CB 4.31Å; F42-L59 HydrophobicContact CD2-CD1 3.99Å; F42-L59 HydrophobicContact CD2-CG 4.18Å; F42-L59 HydrophobicContact CE2-CB 4Å; F42-L59 HydrophobicContact CE2-CD1 3.94Å; F42-L59 HydrophobicContact CE2-CG 4.26Å; M57-L59 HydrophobicContact CE-CD1 3.87Å; M57-L59 HydrophobicContact CE-CG 4.28Å; M57-L59 HydrophobicContact CG-CD2 4.13Å; M57-L59 HydrophobicContact CG-CG 4.04Å; M57-L59 HydrophobicContact SD-CD1 4.19Å; M57-L59 HydrophobicContact SD-CD2 4.02Å; M57-L59 HydrophobicContact SD-CG 4.11Å; L59-I61 HydrophobicContact CB-CD1 4.24Å; L59-I61 HydrophobicContact CB-CG1 4.01Å; L59-I61 HydrophobicContact CD1-CD1 4.41Å; L59-I74 HydrophobicContact CD1-CG1 3.95Å; L59-R77 HydrophobicContact CD2-CB 4.36Å; L59-R77 HydrophobicContact CD2-CG 4.01Å
60	E	90.1	Very high	85.4	Confident	125 Å²	125	54.8 Å²	54.8	58%	0.584	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	113.5	167.1	-64.3	-167.2	157.9	0	0	108.9
61	I	88.2	Confident	86.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.3	-173.8	-52.2	-177.8	0	0	0	109	I38 F42 L59 G63 C65 M70 L116	I38-I61 PolarHBondContact N-O 3.1Å; I38-I61 PolarHBondContact O-N 3.3Å; F42-I61 HydrophobicContact CE2-CD1 3.96Å; F42-I61 HydrophobicContact CZ-CD1 3.94Å; L59-I61 HydrophobicContact CB-CD1 4.24Å; L59-I61 HydrophobicContact CB-CG1 4.01Å; L59-I61 HydrophobicContact CD1-CD1 4.41Å; I61-G63 PolarHBondContact O-N 2.87Å; I61-C65 HydrophobicContact CG2-CB 3.81Å; I61-M70 HydrophobicContact CD1-CB 4.13Å; I61-M70 HydrophobicContact CD1-CG 3.55Å; I61-M70 HydrophobicContact CD1-SD 4.03Å; I61-L116 HydrophobicContact CB-CD2 3.72Å; I61-L116 HydrophobicContact CG2-CD2 3.58Å
62	A	84.3	Confident	87.4	Confident	23 Å²	23	46.6 Å²	46.6	19%	0.19	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	131.7	176.1	0	0	0	0	0	110.9	N64 C65	A62-N64 WeakPolarHBondContact CB-OD1 3.41Å; A62-N64 PolarHBondContact O-N 2.87Å; A62-N64 VanDerWaalsContact O-N 3.09Å; A62-C65 WeakPolarHBondContact O-CB 3.47Å; A62-C65 PolarHBondContact O-N 3.01Å
63	G	81.6	Confident	88.2	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.01	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.3	-176.4	0	0	0	0	0	115.6	E36 I61 V115 Q117	E36-G63 PolarHBondContact O-N 3.26Å; I61-G63 PolarHBondContact O-N 2.87Å; G63-V115 WeakPolarHBondContact O-CG1 3.28Å; G63-Q117 VanDerWaalsContact O-CB 3.28Å; G63-Q117 WeakPolarHBondContact O-CB 3.36Å; G63-Q117 VanDerWaalsContact O-CG 3.32Å; G63-Q117 WeakPolarHBondContact O-CG 3.42Å; G63-Q117 PolarHBondContact O-N 3.46Å
64	N	78.6	Confident	88.7	Confident	14 Å²	14	37.7 Å²	37.7	8%	0.075	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	0.8	175.6	69.3	-30.4	0	0	0	114	M35 A62 R348	M35-N64 VanDerWaalsContact CE-ND2 3.35Å; M35-N64 WeakPolarHBondContact CE-ND2 3.39Å; A62-N64 WeakPolarHBondContact CB-OD1 3.41Å; A62-N64 PolarHBondContact O-N 2.87Å; A62-N64 VanDerWaalsContact O-N 3.09Å; N64-R348 PolarHBondContact ND2-O 3.47Å
65	C	85.1	Confident	89.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.			trans	-65.7	145.9	171.9	-175.2	0	0	0	0	110.6	I61 A62 Q69 L116	I61-C65 HydrophobicContact CG2-CB 3.81Å; A62-C65 WeakPolarHBondContact O-CB 3.47Å; A62-C65 PolarHBondContact O-N 3.01Å; C65-Q69 WeakPolarHBondContact SG-CB 3.43Å; C65-L116 WeakPolarHBondContact O-CB 3.27Å; C65-L116 PolarHBondContact O-N 2.91Å
66	T	87.9	Confident	89.1	Confident	8 Å²	8	40.3 Å²	40.3	5%	0.049	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-79.9	162.1	171.3	68	0	0	0	0	111.6	E68 Q69 M70 Q114	T66-E68 VanDerWaalsContact C-N 3.29Å; T66-E68 PolarHBondContact O-N 2.79Å; T66-Q69 PolarHBondContact O-N 3.43Å; T66-Q69 VanDerWaalsContact OG1-CG 3.29Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.37Å; T66-Q69 PolarHBondContact OG1-N 3.33Å; T66-Q69 PolarHBondContact OG1-OE1 2.92Å; T66-M70 PolarHBondContact O-N 3Å; T66-Q114 CarbonylContact C-O 3.59Å; T66-Q114 VanDerWaalsContact CA-O 3.3Å; T66-Q114 WeakPolarHBondContact CA-O 3.44Å
67	V	90.9	Very high	89	Confident	6 Å²	6	40.8 Å²	40.8	4%	0.036	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-40.4	173.5	170.7	0	0	0	0	111.7	Q69 M70 K71 L98 I109 D111 K112 Q114 L119	V67-Q69 PolarHBondContact O-N 3.14Å; V67-M70 HydrophobicContact CB-CE 4.48Å; V67-M70 HydrophobicContact CG1-CE 4.23Å; V67-M70 HydrophobicContact CG2-CE 4.32Å; V67-M70 WeakPolarHBondContact O-CB 3.39Å; V67-M70 PolarHBondContact O-N 3.5Å; V67-K71 WeakPolarHBondContact O-CB 3.49Å; V67-K71 PolarHBondContact O-N 3.29Å; V67-L98 HydrophobicContact CG1-CD1 4.25Å; V67-I109 HydrophobicContact CB-CG2 4.3Å; V67-I109 HydrophobicContact CG1-CG2 3.75Å; V67-I109 HydrophobicContact CG2-CG2 3.5Å; V67-I109 VanDerWaalsContact CG2-CG2 3.5Å; V67-D111 WeakPolarHBondContact CB-O 3.39Å; V67-D111 WeakPolarHBondContact CG2-O 2.97Å; V67-K112 PolarHBondContact N-O 2.74Å; V67-Q114 HydrophobicContact CG2-CB 4.17Å; V67-Q114 PolarHBondContact N-O 3.48Å; V67-L119 HydrophobicContact CG2-CD1 4.33Å; V67-L119 HydrophobicContact CG2-CD2 3.91Å
68	E	90.3	Very high	88.9	Confident	86 Å²	86	40.5 Å²	40.5	40%	0.402	20%	0.202	S	C	.	.	H	α-helix	trans	-59.5	-45.8	176.1	-174.4	169.2	-142	0	0	112	T66 K71 A72 K112	T66-E68 VanDerWaalsContact C-N 3.29Å; T66-E68 PolarHBondContact O-N 2.79Å; E68-K71 WeakPolarHBondContact O-CB 3.39Å; E68-K71 PolarHBondContact O-N 3.41Å; E68-A72 PolarHBondContact O-N 3.35Å; E68-K112 HydrophobicContact CB-CB 4.19Å; E68-K112 WeakPolarHBondContact CB-O 3.39Å; E68-K112 PolarHBondContact N-O 2.88Å; E68-K112 IonicContact OE1-NZ 3.71Å
69	Q	88.9	Confident	88.7	Confident	57 Å²	57	38.1 Å²	38.1	27%	0.266	19%	0.189	S	C	.	.	H	α-helix	trans	-66.9	-40.8	177.2	-71.7	165.9	-13.5	0	0	111.8	C65 T66 V67 K71 A72 Q73 F350	C65-Q69 WeakPolarHBondContact SG-CB 3.43Å; T66-Q69 PolarHBondContact O-N 3.43Å; T66-Q69 VanDerWaalsContact OG1-CG 3.29Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.37Å; T66-Q69 PolarHBondContact OG1-N 3.33Å; T66-Q69 PolarHBondContact OG1-OE1 2.92Å; V67-Q69 PolarHBondContact O-N 3.14Å; Q69-K71 VanDerWaalsContact C-N 3.3Å; Q69-K71 PolarHBondContact O-N 3.16Å; Q69-A72 PolarHBondContact O-N 2.98Å; Q69-Q73 WeakPolarHBondContact O-CG 3.33Å; Q69-Q73 PolarHBondContact O-N 3.07Å; Q69-F350 VanDerWaalsContact NE2-CD1 3.3Å
70	M	91.2	Very high	88.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.9	-46.1	172	164.6	173.7	70.7	0	0	110.3	I40 F42 I61 T66 V67 A72 Q73 I74 L98 L116 L119 I135	I40-M70 HydrophobicContact CD1-SD 4.32Å; F42-M70 HydrophobicContact CE1-CG 4.48Å; F42-M70 HydrophobicContact CE1-SD 4.07Å; F42-M70 HydrophobicContact CZ-CG 4.07Å; F42-M70 HydrophobicContact CZ-SD 3.72Å; I61-M70 HydrophobicContact CD1-CB 4.13Å; I61-M70 HydrophobicContact CD1-CG 3.55Å; I61-M70 HydrophobicContact CD1-SD 4.03Å; T66-M70 PolarHBondContact O-N 3Å; V67-M70 HydrophobicContact CB-CE 4.48Å; V67-M70 HydrophobicContact CG1-CE 4.23Å; V67-M70 HydrophobicContact CG2-CE 4.32Å; V67-M70 WeakPolarHBondContact O-CB 3.39Å; V67-M70 PolarHBondContact O-N 3.5Å; M70-A72 VanDerWaalsContact C-N 3.34Å; M70-A72 PolarHBondContact O-N 2.63Å; M70-Q73 PolarHBondContact O-N 3.34Å; M70-I74 HydrophobicContact CG-CD1 3.73Å; M70-I74 HydrophobicContact CG-CG1 4.37Å; M70-I74 WeakPolarHBondContact O-CD1 3.47Å; M70-I74 VanDerWaalsContact O-CG1 3.22Å; M70-I74 WeakPolarHBondContact O-CG1 3.48Å; M70-I74 PolarHBondContact O-N 3.12Å; M70-L98 HydrophobicContact CE-CD1 3.59Å; M70-L116 HydrophobicContact CE-CD1 3.91Å; M70-L116 HydrophobicContact SD-CD1 3.52Å; M70-L116 VanDerWaalsContact SD-CD1 3.52Å; M70-L116 HydrophobicContact SD-CD2 4.47Å; M70-L119 HydrophobicContact CE-CD1 4.41Å; M70-I135 HydrophobicContact SD-CD1 4.4Å
71	K	92.3	Very high	88.2	Confident	34 Å²	34	42.3 Å²	42.3	15%	0.148	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-41.2	179	-160.5	-178.8	-172.3	-172.2	0	112.3	V67 E68 Q69 I74 W75 P93 F96	V67-K71 WeakPolarHBondContact O-CB 3.49Å; V67-K71 PolarHBondContact O-N 3.29Å; E68-K71 WeakPolarHBondContact O-CB 3.39Å; E68-K71 PolarHBondContact O-N 3.41Å; Q69-K71 VanDerWaalsContact C-N 3.3Å; Q69-K71 PolarHBondContact O-N 3.16Å; K71-I74 PolarHBondContact O-N 3Å; K71-W75 PolarHBondContact O-N 3.33Å; K71-P93 HydrophobicContact CD-CB 4.24Å; K71-P93 WeakPolarHBondContact CE-O 3.33Å; K71-P93 HydrophobicContact CG-CB 4.22Å; K71-P93 PolarHBondContact NZ-O 3.45Å; K71-F96 WeakPolarHBondContact CE-O 3.36Å; K71-F96 PolarHBondContact NZ-O 3.14Å
72	A	90.6	Very high	87.8	Confident	46 Å²	46	42.8 Å²	42.8	38%	0.38	21%	0.213	S	C	.	.	H	α-helix	trans	-63.3	-43.1	174.4	0	0	0	0	0	112.2	E68 Q69 M70 W75 M76	E68-A72 PolarHBondContact O-N 3.35Å; Q69-A72 PolarHBondContact O-N 2.98Å; M70-A72 VanDerWaalsContact C-N 3.34Å; M70-A72 PolarHBondContact O-N 2.63Å; A72-W75 PolarHBondContact O-N 2.92Å; A72-M76 WeakPolarHBondContact O-CG 3.46Å; A72-M76 PolarHBondContact O-N 3.21Å
73	Q	90.8	Very high	87.5	Confident	71 Å²	71	46.2 Å²	46.2	33%	0.332	23%	0.225	S	C	.	.	H	α-helix	trans	-63.4	-42.4	176.1	-70.6	178.2	32.4	0	0	112.1	Q69 M70 W75 R77	Q69-Q73 WeakPolarHBondContact O-CG 3.33Å; Q69-Q73 PolarHBondContact O-N 3.07Å; M70-Q73 PolarHBondContact O-N 3.34Å; Q73-W75 VanDerWaalsContact C-N 3.31Å; Q73-W75 PolarHBondContact O-N 3.27Å; Q73-R77 WeakPolarHBondContact O-CB 3.3Å; Q73-R77 PolarHBondContact O-N 2.74Å
74	I	91.9	Very high	87.4	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-57.4	-47.2	173.4	-65.4	160.6	0	0	0	109.9	F42 L44 M57 L59 M70 K71 R77 A78 L98 V137	F42-I74 HydrophobicContact CD1-CD1 3.45Å; F42-I74 VanDerWaalsContact CD1-CD1 3.45Å; F42-I74 HydrophobicContact CD1-CG1 3.94Å; F42-I74 HydrophobicContact CD2-CD1 4.42Å; F42-I74 HydrophobicContact CD2-CG1 4.08Å; F42-I74 HydrophobicContact CE1-CD1 3.15Å; F42-I74 HydrophobicContact CE1-CG1 3.86Å; F42-I74 HydrophobicContact CE2-CD1 4.18Å; F42-I74 HydrophobicContact CE2-CG1 3.99Å; F42-I74 HydrophobicContact CG-CD1 4.09Å; F42-I74 HydrophobicContact CG-CG1 4.05Å; F42-I74 HydrophobicContact CZ-CD1 3.56Å; F42-I74 HydrophobicContact CZ-CG1 3.88Å; L44-I74 HydrophobicContact CD2-CG2 4.24Å; M57-I74 HydrophobicContact CE-CB 4.32Å; M57-I74 HydrophobicContact CE-CG2 3.83Å; L59-I74 HydrophobicContact CD1-CG1 3.95Å; M70-I74 HydrophobicContact CG-CD1 3.73Å; M70-I74 HydrophobicContact CG-CG1 4.37Å; M70-I74 WeakPolarHBondContact O-CD1 3.47Å; M70-I74 VanDerWaalsContact O-CG1 3.22Å; M70-I74 WeakPolarHBondContact O-CG1 3.48Å; M70-I74 PolarHBondContact O-N 3.12Å; K71-I74 PolarHBondContact O-N 3Å; I74-R77 PolarHBondContact O-N 3.38Å; I74-A78 VanDerWaalsContact O-CB 3.26Å; I74-A78 WeakPolarHBondContact O-CB 3.22Å; I74-A78 PolarHBondContact O-N 3.29Å; I74-L98 HydrophobicContact CD1-CD1 4.36Å; I74-L98 HydrophobicContact CD1-CD2 4.23Å; I74-V137 HydrophobicContact CG2-CG2 4.22Å
75	W	91.6	Very high	87.4	Confident	15 Å²	15	49.5 Å²	49.5	6%	0.057	25%	0.245	C	C	.	.	H	α-helix	trans	-65.3	-47.9	-177.2	-138.8	-98.9	0	0	0	112.7	K71 A72 Q73 R77 A78 I79 Y88 P93 F96 V137	K71-W75 PolarHBondContact O-N 3.33Å; A72-W75 PolarHBondContact O-N 2.92Å; Q73-W75 VanDerWaalsContact C-N 3.31Å; Q73-W75 PolarHBondContact O-N 3.27Å; W75-R77 VanDerWaalsContact C-N 3.33Å; W75-R77 PolarHBondContact O-N 2.9Å; W75-A78 PolarHBondContact O-N 3.48Å; W75-I79 WeakPolarHBondContact O-CG1 3.42Å; W75-I79 PolarHBondContact O-N 2.92Å; W75-I79 VanDerWaalsContact O-N 3.09Å; W75-Y88 HydrophobicContact CD2-CD1 4.3Å; W75-Y88 AromaticContact CE2-CD1 3.85Å; W75-Y88 HydrophobicContact CH2-CD1 4.24Å; W75-Y88 HydrophobicContact CH2-CE1 4.28Å; W75-Y88 AromaticContact CZ2-CD1 3.85Å; W75-Y88 HydrophobicContact CZ2-CD1 3.85Å; W75-Y88 HydrophobicContact CZ2-CE1 4.34Å; W75-Y88 PolarHBondContact NE1-O 3.01Å; W75-P93 HydrophobicContact CB-CG 4.06Å; W75-P93 HydrophobicContact CD2-CB 3.81Å; W75-P93 HydrophobicContact CD2-CG 3.67Å; W75-P93 HydrophobicContact CE3-CB 3.85Å; W75-P93 HydrophobicContact CE3-CG 4.24Å; W75-P93 HydrophobicContact CG-CB 4.16Å; W75-P93 HydrophobicContact CG-CG 3.57Å; W75-P93 HydrophobicContact CZ3-CB 4.44Å; W75-F96 HydrophobicContact CH2-CB 4.16Å; W75-F96 HydrophobicContact CH2-CD1 4.18Å; W75-F96 AromaticContact CH2-CD2 3.11Å; W75-F96 HydrophobicContact CH2-CD2 3.11Å; W75-F96 HydrophobicContact CH2-CE1 4.41Å; W75-F96 AromaticContact CH2-CE2 3.4Å; W75-F96 HydrophobicContact CH2-CE2 3.4Å; W75-F96 AromaticContact CH2-CG 3.55Å; W75-F96 HydrophobicContact CH2-CG 3.55Å; W75-F96 HydrophobicContact CH2-CZ 4.06Å; W75-F96 AromaticContact CZ2-CD2 3.86Å; W75-F96 HydrophobicContact CZ2-CD2 3.86Å; W75-F96 AromaticContact CZ2-CE2 3.83Å; W75-F96 HydrophobicContact CZ2-CE2 3.83Å; W75-F96 HydrophobicContact CZ3-CB 4.08Å; W75-F96 AromaticContact CZ3-CD2 3.88Å; W75-F96 HydrophobicContact CZ3-CD2 3.88Å; W75-F96 AromaticContact CZ3-CG 3.95Å; W75-F96 HydrophobicContact CZ3-CG 3.95Å; W75-V137 HydrophobicContact CZ3-CG1 4.14Å
76	M	89.4	Confident	87.2	Confident	121 Å²	121	55.8 Å²	55.8	60%	0.596	28%	0.278	S	S	*	.	H	α-helix	trans	-60.3	-44.5	178.4	-71.3	-163.6	-62.5	0	0	111.3	A72 A78 I79 E80	A72-M76 WeakPolarHBondContact O-CG 3.46Å; A72-M76 PolarHBondContact O-N 3.21Å; M76-A78 PolarHBondContact O-N 3Å; M76-I79 PolarHBondContact O-N 3.06Å; M76-E80 PolarHBondContact O-N 2.87Å
77	R	89.5	Confident	87.2	Confident	112 Å²	112	57.9 Å²	57.9	42%	0.423	29%	0.287	S	S	.	.	H	α-helix	trans	-70.2	-33.5	179.9	-167.1	66.2	168.1	169.2	-0.3	112.7	M57 L59 Q73 I74 W75 I79 E80 M81	M57-R77 HydrophobicContact CE-CB 4.35Å; M57-R77 HydrophobicContact CG-CG 4.41Å; M57-R77 HydrophobicContact SD-CB 3.49Å; M57-R77 WeakPolarHBondContact SD-CB 3.39Å; M57-R77 HydrophobicContact SD-CG 3.23Å; M57-R77 WeakPolarHBondContact SD-CG 3.27Å; L59-R77 HydrophobicContact CD2-CB 4.36Å; L59-R77 HydrophobicContact CD2-CG 4.01Å; Q73-R77 WeakPolarHBondContact O-CB 3.3Å; Q73-R77 PolarHBondContact O-N 2.74Å; I74-R77 PolarHBondContact O-N 3.38Å; W75-R77 VanDerWaalsContact C-N 3.33Å; W75-R77 PolarHBondContact O-N 2.9Å; R77-I79 VanDerWaalsContact C-N 3.33Å; R77-I79 PolarHBondContact O-N 3.35Å; R77-E80 VanDerWaalsContact CD-OE2 3.32Å; R77-E80 WeakPolarHBondContact CD-OE2 3.32Å; R77-E80 IonicContact CZ-OE2 2.68Å; R77-E80 IonicContact NE-OE2 3.83Å; R77-E80 IonicContact NH1-OE2 3.75Å; R77-E80 PolarHBondContact NH1-OE2 3.33Å; R77-E80 PolarHBondContact O-N 2.94Å; R77-M81 HydrophobicContact CG-CG 4.27Å; R77-M81 HydrophobicContact CG-SD 3.66Å; R77-M81 PolarHBondContact NE-SD 2.89Å; R77-M81 WeakPolarHBondContact O-CB 3.42Å; R77-M81 WeakPolarHBondContact O-CG 3.26Å; R77-M81 PolarHBondContact O-N 3.23Å
78	A	89.1	Confident	86.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-37.7	173.7	0	0	0	0	0	112.1	L44 I74 W75 M76 E80 M81 S82 Y88	L44-A78 HydrophobicContact CD1-CB 4.24Å; L44-A78 HydrophobicContact CD2-CB 4.44Å; I74-A78 VanDerWaalsContact O-CB 3.26Å; I74-A78 WeakPolarHBondContact O-CB 3.22Å; I74-A78 PolarHBondContact O-N 3.29Å; W75-A78 PolarHBondContact O-N 3.48Å; M76-A78 PolarHBondContact O-N 3Å; A78-E80 VanDerWaalsContact C-N 3.31Å; A78-E80 PolarHBondContact O-N 3.13Å; A78-M81 PolarHBondContact O-N 3.25Å; A78-S82 WeakPolarHBondContact O-CB 3.46Å; A78-S82 PolarHBondContact O-N 2.84Å; A78-Y88 HydrophobicContact CB-CD1 3.96Å; A78-Y88 HydrophobicContact CB-CD2 4.36Å; A78-Y88 HydrophobicContact CB-CE1 3.63Å; A78-Y88 HydrophobicContact CB-CE2 4.06Å; A78-Y88 HydrophobicContact CB-CG 4.32Å
79	I	88.8	Confident	86.7	Confident	55 Å²	55	60 Å²	60	28%	0.282	30%	0.296	S	S	.	.	H	α-helix	trans	-62.6	-37.7	173.7	-67.7	165.6	0	0	0	111.3	W75 M76 R77 T85 Y88	W75-I79 WeakPolarHBondContact O-CG1 3.42Å; W75-I79 PolarHBondContact O-N 2.92Å; W75-I79 VanDerWaalsContact O-N 3.09Å; M76-I79 PolarHBondContact O-N 3.06Å; R77-I79 VanDerWaalsContact C-N 3.33Å; R77-I79 PolarHBondContact O-N 3.35Å; I79-T85 WeakPolarHBondContact O-CG2 3.3Å; I79-Y88 HydrophobicContact CG1-CG 4.46Å
80	E	86.8	Confident	86.5	Confident	135 Å²	135	60.8 Å²	60.8	63%	0.631	31%	0.313	S	S	*	.	H	α-helix	trans	-74.1	-33	179.1	-67.5	175.6	176.3	0	0	113.6	M76 R77 A78	M76-E80 PolarHBondContact O-N 2.87Å; R77-E80 VanDerWaalsContact CD-OE2 3.32Å; R77-E80 WeakPolarHBondContact CD-OE2 3.32Å; R77-E80 IonicContact CZ-OE2 2.68Å; R77-E80 IonicContact NE-OE2 3.83Å; R77-E80 IonicContact NH1-OE2 3.75Å; R77-E80 PolarHBondContact NH1-OE2 3.33Å; R77-E80 PolarHBondContact O-N 2.94Å; A78-E80 VanDerWaalsContact C-N 3.31Å; A78-E80 PolarHBondContact O-N 3.13Å
81	M	84.3	Confident	86.3	Confident	103 Å²	103	63.9 Å²	63.9	51%	0.507	33%	0.326	S	S	.	.	H	α-helix	trans	-107.1	-26.8	-167.8	-67.7	-176.7	57.5	0	0	115.2	M57 R77 A78	M57-M81 HydrophobicContact CG-SD 4.36Å; M57-M81 HydrophobicContact SD-SD 4.3Å; R77-M81 HydrophobicContact CG-CG 4.27Å; R77-M81 HydrophobicContact CG-SD 3.66Å; R77-M81 PolarHBondContact NE-SD 2.89Å; R77-M81 WeakPolarHBondContact O-CB 3.42Å; R77-M81 WeakPolarHBondContact O-CG 3.26Å; R77-M81 PolarHBondContact O-N 3.23Å; A78-M81 PolarHBondContact O-N 3.25Å
82	S	80.6	Confident	86.1	Confident	10 Å²	10	65.6 Å²	65.6	7%	0.07	34%	0.34	C	S	.	.			trans	-71.4	143.7	-171.9	-178.4	0	0	0	0	112.4	E55 A78 T84 T85	E55-S82 VanDerWaalsContact OE2-CB 3.32Å; E55-S82 WeakPolarHBondContact OE2-CB 3.05Å; E55-S82 PolarHBondContact OE2-OG 2.85Å; A78-S82 WeakPolarHBondContact O-CB 3.46Å; A78-S82 PolarHBondContact O-N 2.84Å; S82-T84 PolarHBondContact O-N 2.85Å; S82-T84 PolarHBondContact OG-N 2.89Å; S82-T84 VanDerWaalsContact OG-N 3.12Å; S82-T84 PolarHBondContact OG-OG1 3.11Å; S82-T85 WeakPolarHBondContact O-CG2 3.1Å
83	Q	76.7	Confident	85.9	Confident	95 Å²	95	65.2 Å²	65.2	44%	0.444	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-1.5	172.5	-60.3	-176.9	1.2	0	0	113	K49 E55	K49-Q83 PolarHBondContact NZ-O 3.35Å; E55-Q83 PolarHBondContact OE1-N 3.26Å
84	T	80.3	Confident	85.6	Confident	32 Å²	32	67.7 Å²	67.7	20%	0.196	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	53.4	-179.7	45	0	0	0	0	110.6	T46 S82 D86 F87	T46-T84 WeakPolarHBondContact CB-OG1 3.22Å; T46-T84 WeakPolarHBondContact CG2-OG1 3.32Å; S82-T84 PolarHBondContact O-N 2.85Å; S82-T84 PolarHBondContact OG-N 2.89Å; S82-T84 VanDerWaalsContact OG-N 3.12Å; S82-T84 PolarHBondContact OG-OG1 3.11Å; T84-D86 PolarHBondContact O-N 3.25Å; T84-F87 VanDerWaalsContact O-CB 3.25Å; T84-F87 WeakPolarHBondContact O-CB 3.45Å; T84-F87 PolarHBondContact O-N 2.96Å
85	T	78.1	Confident	85.5	Confident	51 Å²	51	71.5 Å²	71.5	31%	0.313	37%	0.367	S	S	.	.	H	α-helix	trans	-54.6	-37	-179.9	50.8	0	0	0	0	113.4	I79 S82 F87 Y88 H89	I79-T85 WeakPolarHBondContact O-CG2 3.3Å; S82-T85 WeakPolarHBondContact O-CG2 3.1Å; T85-F87 PolarHBondContact O-N 3.36Å; T85-F87 VanDerWaalsContact O-N 3.16Å; T85-Y88 PolarHBondContact O-N 2.79Å; T85-H89 PolarHBondContact O-CD2 2.81Å; T85-H89 PolarHBondContact O-N 3.48Å; T85-H89 VanDerWaalsContact O-N 3.16Å
86	D	82.2	Confident	85.4	Confident	132 Å²	132	70.9 Å²	70.9	71%	0.706	36%	0.364	S	S	*	.	H	α-helix	trans	-57.3	-31.3	178.5	-60.1	-27.4	0	0	0	112.8	T84 H89 A90	T84-D86 PolarHBondContact O-N 3.25Å; D86-H89 PolarHBondContact O-N 2.64Å; D86-A90 WeakPolarHBondContact O-CB 3.29Å; D86-A90 PolarHBondContact O-N 3.19Å
87	F	86.1	Confident	85.6	Confident	52 Å²	52	66.2 Å²	66.2	23%	0.228	34%	0.341	C	S	.	.	H	α-helix	trans	-61.7	-49	174.6	177.4	-90.7	0	0	0	111	P45 T46 T84 T85 H89 A90 F91 F96	P45-F87 HydrophobicContact CB-CE1 4.36Å; P45-F87 HydrophobicContact CB-CZ 4.17Å; P45-F87 HydrophobicContact CG-CE1 3.61Å; P45-F87 HydrophobicContact CG-CZ 3.92Å; T46-F87 HydrophobicContact CG2-CB 4.13Å; T46-F87 HydrophobicContact CG2-CD1 3.52Å; T46-F87 HydrophobicContact CG2-CD2 4.34Å; T46-F87 HydrophobicContact CG2-CE1 3.94Å; T46-F87 HydrophobicContact CG2-CG 3.74Å; T46-F87 HydrophobicContact CG2-CZ 4.48Å; T84-F87 VanDerWaalsContact O-CB 3.25Å; T84-F87 WeakPolarHBondContact O-CB 3.45Å; T84-F87 PolarHBondContact O-N 2.96Å; T85-F87 PolarHBondContact O-N 3.36Å; T85-F87 VanDerWaalsContact O-N 3.16Å; F87-H89 VanDerWaalsContact C-N 3.28Å; F87-H89 PolarHBondContact O-N 3.21Å; F87-A90 PolarHBondContact O-N 3.31Å; F87-A90 VanDerWaalsContact O-N 3.14Å; F87-F91 HydrophobicContact CD1-CD2 4.41Å; F87-F91 AromaticContact CD2-CD2 3.91Å; F87-F91 HydrophobicContact CD2-CD2 3.91Å; F87-F91 AromaticContact CD2-CE2 3.66Å; F87-F91 HydrophobicContact CD2-CE2 3.66Å; F87-F91 HydrophobicContact CE1-CD2 4.31Å; F87-F91 AromaticContact CE2-CD2 3.8Å; F87-F91 HydrophobicContact CE2-CD2 3.8Å; F87-F91 AromaticContact CE2-CE2 3.53Å; F87-F91 HydrophobicContact CE2-CE2 3.53Å; F87-F91 HydrophobicContact CE2-CZ 4.48Å; F87-F91 HydrophobicContact CG-CD2 4.23Å; F87-F91 HydrophobicContact CG-CE2 4.4Å; F87-F91 HydrophobicContact CZ-CD2 4.02Å; F87-F91 HydrophobicContact CZ-CE2 4.16Å; F87-F91 VanDerWaalsContact O-CD2 3.27Å; F87-F91 WeakPolarHBondContact O-CD2 3.38Å; F87-F91 PolarHBondContact O-N 2.91Å; F87-F96 HydrophobicContact CE1-CE1 4.1Å; F87-F96 AromaticContact CE1-CZ 3.72Å; F87-F96 HydrophobicContact CE1-CZ 3.72Å; F87-F96 AromaticContact CZ-CE1 3.82Å; F87-F96 HydrophobicContact CZ-CE1 3.82Å; F87-F96 AromaticContact CZ-CZ 3.49Å; F87-F96 HydrophobicContact CZ-CZ 3.49Å; F87-F96 VanDerWaalsContact CZ-CZ 3.49Å
88	Y	85.1	Confident	85.8	Confident	5 Å²	5	61.1 Å²	61.1	2%	0.02	32%	0.323	C	S	.	.	H	α-helix	trans	-73	-19.8	-177.5	-68	-79.5	0	0	0	113.8	L44 T46 W75 A78 I79 T85 F91	L44-Y88 WeakPolarHBondContact CB-OH 3.35Å; T46-Y88 HydrophobicContact CG2-CE2 3.73Å; T46-Y88 PolarHBondContact OG1-OH 3.41Å; T46-Y88 VanDerWaalsContact OG1-OH 3.12Å; W75-Y88 HydrophobicContact CD2-CD1 4.3Å; W75-Y88 AromaticContact CE2-CD1 3.85Å; W75-Y88 HydrophobicContact CH2-CD1 4.24Å; W75-Y88 HydrophobicContact CH2-CE1 4.28Å; W75-Y88 AromaticContact CZ2-CD1 3.85Å; W75-Y88 HydrophobicContact CZ2-CD1 3.85Å; W75-Y88 HydrophobicContact CZ2-CE1 4.34Å; W75-Y88 PolarHBondContact NE1-O 3.01Å; A78-Y88 HydrophobicContact CB-CD1 3.96Å; A78-Y88 HydrophobicContact CB-CD2 4.36Å; A78-Y88 HydrophobicContact CB-CE1 3.63Å; A78-Y88 HydrophobicContact CB-CE2 4.06Å; A78-Y88 HydrophobicContact CB-CG 4.32Å; I79-Y88 HydrophobicContact CG1-CG 4.46Å; T85-Y88 PolarHBondContact O-N 2.79Å; Y88-F91 VanDerWaalsContact O-O 3.12Å
89	H	85.9	Confident	86.1	Confident	132 Å²	132	62.4 Å²	62.4	61%	0.611	33%	0.328	S	S	*	.	H	α-helix	trans	-80.9	-27.8	169.2	-70.4	-61.5	0	0	0	113.1	T85 D86 F87	T85-H89 PolarHBondContact O-CD2 2.81Å; T85-H89 PolarHBondContact O-N 3.48Å; T85-H89 VanDerWaalsContact O-N 3.16Å; D86-H89 PolarHBondContact O-N 2.64Å; F87-H89 VanDerWaalsContact C-N 3.28Å; F87-H89 PolarHBondContact O-N 3.21Å
90	A	86.3	Confident	86.3	Confident	74 Å²	74	59.8 Å²	59.8	61%	0.612	32%	0.315	S	S	*	.	H	α-helix	trans	-80.3	-22	-179.4	0	0	0	0	0	113.8	D86 F87	D86-A90 WeakPolarHBondContact O-CB 3.29Å; D86-A90 PolarHBondContact O-N 3.19Å; F87-A90 PolarHBondContact O-N 3.31Å; F87-A90 VanDerWaalsContact O-N 3.14Å
91	F	87.1	Confident	86.5	Confident	65 Å²	65	57.7 Å²	57.7	29%	0.285	31%	0.305	S	S	.	.	S	Bend	trans	-122	157.9	-178.2	-61.6	-79.4	0	0	0	112.4	F87 Y88 Q95 F96	F87-F91 HydrophobicContact CD1-CD2 4.41Å; F87-F91 AromaticContact CD2-CD2 3.91Å; F87-F91 HydrophobicContact CD2-CD2 3.91Å; F87-F91 AromaticContact CD2-CE2 3.66Å; F87-F91 HydrophobicContact CD2-CE2 3.66Å; F87-F91 HydrophobicContact CE1-CD2 4.31Å; F87-F91 AromaticContact CE2-CD2 3.8Å; F87-F91 HydrophobicContact CE2-CD2 3.8Å; F87-F91 AromaticContact CE2-CE2 3.53Å; F87-F91 HydrophobicContact CE2-CE2 3.53Å; F87-F91 HydrophobicContact CE2-CZ 4.48Å; F87-F91 HydrophobicContact CG-CD2 4.23Å; F87-F91 HydrophobicContact CG-CE2 4.4Å; F87-F91 HydrophobicContact CZ-CD2 4.02Å; F87-F91 HydrophobicContact CZ-CE2 4.16Å; F87-F91 VanDerWaalsContact O-CD2 3.27Å; F87-F91 WeakPolarHBondContact O-CD2 3.38Å; F87-F91 PolarHBondContact O-N 2.91Å; Y88-F91 VanDerWaalsContact O-O 3.12Å; F91-Q95 VanDerWaalsContact CB-OE1 3.28Å; F91-F96 HydrophobicContact CB-CE2 3.74Å; F91-F96 HydrophobicContact CB-CZ 4.3Å; F91-F96 HydrophobicContact CG-CE2 4.17Å; F91-F96 HydrophobicContact CG-CZ 4.32Å
92	T	87	Confident	86.7	Confident	70 Å²	70	54.7 Å²	54.7	43%	0.429	29%	0.289	S	S	.	.			trans	-99.5	154	173.7	64.5	0	0	0	0	110.9	D94 Q95	T92-D94 PolarHBondContact O-N 3.49Å; T92-D94 VanDerWaalsContact O-N 3.13Å; T92-Q95 PolarHBondContact O-N 3.35Å; T92-Q95 VanDerWaalsContact O-N 3.11Å
93	P	85.6	Confident	87	Confident	38 Å²	38	62.6 Å²	62.6	25%	0.247	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-52.2	-37.4	175.4	-19.2	23.8	0	0	0	112.6	K71 W75 Q95 F96	K71-P93 HydrophobicContact CD-CB 4.24Å; K71-P93 WeakPolarHBondContact CE-O 3.33Å; K71-P93 HydrophobicContact CG-CB 4.22Å; K71-P93 PolarHBondContact NZ-O 3.45Å; W75-P93 HydrophobicContact CB-CG 4.06Å; W75-P93 HydrophobicContact CD2-CB 3.81Å; W75-P93 HydrophobicContact CD2-CG 3.67Å; W75-P93 HydrophobicContact CE3-CB 3.85Å; W75-P93 HydrophobicContact CE3-CG 4.24Å; W75-P93 HydrophobicContact CG-CB 4.16Å; W75-P93 HydrophobicContact CG-CG 3.57Å; W75-P93 HydrophobicContact CZ3-CB 4.44Å; P93-Q95 PolarHBondContact O-N 2.98Å; P93-Q95 VanDerWaalsContact O-N 3.11Å; P93-F96 PolarHBondContact O-N 2.81Å
94	D	85.6	Confident	87.4	Confident	123 Å²	123	60.5 Å²	60.5	66%	0.658	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-62.7	-18.5	-176.8	-64.2	-29.8	0	0	0	114.8	T92 F96	T92-D94 PolarHBondContact O-N 3.49Å; T92-D94 VanDerWaalsContact O-N 3.13Å; D94-F96 PolarHBondContact O-N 2.78Å
95	Q	88.7	Confident	87.7	Confident	82 Å²	82	63.7 Å²	63.7	38%	0.383	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-79.5	0.2	174.9	-67.2	169.2	-30.1	0	0	113	F91 T92 P93 K140	F91-Q95 VanDerWaalsContact CB-OE1 3.28Å; T92-Q95 PolarHBondContact O-N 3.35Å; T92-Q95 VanDerWaalsContact O-N 3.11Å; P93-Q95 PolarHBondContact O-N 2.98Å; P93-Q95 VanDerWaalsContact O-N 3.11Å; Q95-K140 WeakPolarHBondContact O-CB 3.19Å; Q95-K140 PolarHBondContact O-N 3.36Å
96	F	90.9	Very high	88.3	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.009	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.2	-179	-63.2	-102.8	0	0	0	111.1	P45 K71 W75 F87 F91 P93 D94 V137 V138 Q139	P45-F96 HydrophobicContact CB-CD1 4.32Å; P45-F96 HydrophobicContact CB-CE1 3.83Å; P45-F96 HydrophobicContact CG-CD1 4.08Å; P45-F96 HydrophobicContact CG-CE1 3.65Å; P45-F96 HydrophobicContact CG-CZ 4.49Å; K71-F96 WeakPolarHBondContact CE-O 3.36Å; K71-F96 PolarHBondContact NZ-O 3.14Å; W75-F96 HydrophobicContact CH2-CB 4.16Å; W75-F96 HydrophobicContact CH2-CD1 4.18Å; W75-F96 AromaticContact CH2-CD2 3.11Å; W75-F96 HydrophobicContact CH2-CD2 3.11Å; W75-F96 HydrophobicContact CH2-CE1 4.41Å; W75-F96 AromaticContact CH2-CE2 3.4Å; W75-F96 HydrophobicContact CH2-CE2 3.4Å; W75-F96 AromaticContact CH2-CG 3.55Å; W75-F96 HydrophobicContact CH2-CG 3.55Å; W75-F96 HydrophobicContact CH2-CZ 4.06Å; W75-F96 AromaticContact CZ2-CD2 3.86Å; W75-F96 HydrophobicContact CZ2-CD2 3.86Å; W75-F96 AromaticContact CZ2-CE2 3.83Å; W75-F96 HydrophobicContact CZ2-CE2 3.83Å; W75-F96 HydrophobicContact CZ3-CB 4.08Å; W75-F96 AromaticContact CZ3-CD2 3.88Å; W75-F96 HydrophobicContact CZ3-CD2 3.88Å; W75-F96 AromaticContact CZ3-CG 3.95Å; W75-F96 HydrophobicContact CZ3-CG 3.95Å; F87-F96 HydrophobicContact CE1-CE1 4.1Å; F87-F96 AromaticContact CE1-CZ 3.72Å; F87-F96 HydrophobicContact CE1-CZ 3.72Å; F87-F96 AromaticContact CZ-CE1 3.82Å; F87-F96 HydrophobicContact CZ-CE1 3.82Å; F87-F96 AromaticContact CZ-CZ 3.49Å; F87-F96 HydrophobicContact CZ-CZ 3.49Å; F87-F96 VanDerWaalsContact CZ-CZ 3.49Å; F91-F96 HydrophobicContact CB-CE2 3.74Å; F91-F96 HydrophobicContact CB-CZ 4.3Å; F91-F96 HydrophobicContact CG-CE2 4.17Å; F91-F96 HydrophobicContact CG-CZ 4.32Å; P93-F96 PolarHBondContact O-N 2.81Å; D94-F96 PolarHBondContact O-N 2.78Å; F96-V137 HydrophobicContact CB-CG1 3.94Å; F96-V137 HydrophobicContact CD1-CG1 4.08Å; F96-V137 HydrophobicContact CG-CG1 4.28Å; F96-V138 CarbonylContact C-O 3.53Å; F96-V138 WeakPolarHBondContact CA-O 3.43Å; F96-Q139 HydrophobicContact CD1-CB 3.95Å; F96-Q139 HydrophobicContact CD1-CG 4.46Å; F96-Q139 HydrophobicContact CE1-CB 3.65Å; F96-Q139 HydrophobicContact CE1-CG 4Å; F96-Q139 HydrophobicContact CZ-CB 4.27Å; F96-Q139 HydrophobicContact CZ-CG 4.1Å
97	I	92.3	Very high	88.8	Confident	22 Å²	22	61.4 Å²	61.4	11%	0.113	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	154.6	175.3	61.4	174.3	0	0	0	109.5	Q99 E108 V138 K140 P324	I97-Q99 HydrophobicContact CD1-CG 4.08Å; I97-Q99 HydrophobicContact CG1-CG 4.23Å; I97-E108 HydrophobicContact CB-CG 4.35Å; I97-E108 VanDerWaalsContact CG2-OE1 3.31Å; I97-E108 WeakPolarHBondContact CG2-OE1 3.12Å; I97-V138 HydrophobicContact CG1-CB 4.08Å; I97-V138 WeakPolarHBondContact CG1-O 3.4Å; I97-V138 PolarHBondContact N-O 3.18Å; I97-V138 PolarHBondContact O-N 2.91Å; I97-K140 HydrophobicContact CG2-CB 4.47Å; I97-K140 HydrophobicContact CG2-CD 4.47Å; I97-K140 HydrophobicContact CG2-CG 4.43Å; I97-P324 HydrophobicContact CD1-CG 4.04Å
98	L	94.3	Very high	89.1	Confident	6 Å²	6	59.8 Å²	59.8	3%	0.031	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.8	176.4	-61.2	-178.5	0	0	0	108.5	V67 M70 I74 E108 I109 I135 Y136 V137	V67-L98 HydrophobicContact CG1-CD1 4.25Å; M70-L98 HydrophobicContact CE-CD1 3.59Å; I74-L98 HydrophobicContact CD1-CD1 4.36Å; I74-L98 HydrophobicContact CD1-CD2 4.23Å; L98-E108 WeakPolarHBondContact O-CA 3.24Å; L98-I109 HydrophobicContact CB-CB 4.07Å; L98-I109 HydrophobicContact CB-CD1 4.13Å; L98-I109 HydrophobicContact CB-CG1 4.48Å; L98-I109 PolarHBondContact O-N 2.86Å; L98-I135 HydrophobicContact CB-CG2 3.94Å; L98-I135 HydrophobicContact CD2-CG2 4.18Å; L98-Y136 WeakPolarHBondContact CA-O 3.36Å; L98-V137 HydrophobicContact CD2-CB 4.41Å; L98-V137 HydrophobicContact CD2-CG1 4.48Å; L98-V137 HydrophobicContact CD2-CG2 3.74Å
99	Q	94.5	Very high	89.5	Confident	26 Å²	26	59.9 Å²	59.9	12%	0.121	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.9	-178.1	-65.8	-175.6	-21.1	0	0	112.1	I97 W106 Y107 I135 Y136 V138	I97-Q99 HydrophobicContact CD1-CG 4.08Å; I97-Q99 HydrophobicContact CG1-CG 4.23Å; Q99-W106 HydrophobicContact CB-CE3 3.96Å; Q99-W106 HydrophobicContact CB-CZ3 4.23Å; Q99-Y107 CarbonylContact C-O 3.52Å; Q99-Y107 WeakPolarHBondContact CA-O 3.46Å; Q99-I135 CarbonylContact O-C 3.52Å; Q99-I135 WeakPolarHBondContact O-CA 3.31Å; Q99-Y136 PolarHBondContact N-O 3.16Å; Q99-Y136 PolarHBondContact O-N 2.86Å; Q99-V138 HydrophobicContact CG-CG2 4.5Å
100	Y	93.8	Very high	89.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	161.6	171.3	72.3	-81.4	0	0	0	110.7	K102 Y107 I109 D120 C121 D327	Y100-K102 HydrophobicContact CD2-CB 4.28Å; Y100-K102 HydrophobicContact CE2-CB 3.83Å; Y100-K102 HydrophobicContact CE2-CD 4.39Å; Y100-Y107 HydrophobicContact CE1-CG 4.39Å; Y100-Y107 HydrophobicContact CE2-CD2 4.37Å; Y100-Y107 HydrophobicContact CE2-CG 4.44Å; Y100-Y107 VanDerWaalsContact CZ-CB 3.49Å; Y100-Y107 PolarHBondContact N-O 3.29Å; Y100-Y107 PolarHBondContact O-N 2.89Å; Y100-I109 HydrophobicContact CD1-CD1 4.28Å; Y100-I109 HydrophobicContact CD1-CG1 3.83Å; Y100-I109 HydrophobicContact CE1-CG1 4.12Å; Y100-D120 WeakPolarHBondContact OH-CB 3.33Å; Y100-D120 PolarHBondContact OH-OD2 3.38Å; Y100-D120 VanDerWaalsContact OH-OD2 3.05Å; Y100-C121 HydrophobicContact CD1-CB 3.75Å; Y100-C121 HydrophobicContact CD2-CB 3.3Å; Y100-C121 HydrophobicContact CE1-CB 3.87Å; Y100-C121 HydrophobicContact CE2-CB 3.43Å; Y100-C121 VanDerWaalsContact CE2-CB 3.43Å; Y100-C121 HydrophobicContact CG-CB 3.46Å; Y100-C121 VanDerWaalsContact CG-CB 3.46Å; Y100-D327 PolarHBondContact OH-OD2 2.58Å
101	Q	91.2	Very high	90	Very high	92 Å²	92	52.4 Å²	52.4	43%	0.43	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130	178	-159.1	-177.6	19.9	0	0	111.1	G104 Q105	Q101-G104 PolarHBondContact NE2-O 3Å; Q101-Q105 VanDerWaalsContact CA-O 3.32Å; Q101-Q105 WeakPolarHBondContact CA-O 3.36Å; Q101-Q105 WeakPolarHBondContact CG-O 3.48Å
102	K	89.1	Confident	90	Very high	39 Å²	39	54.1 Å²	54.1	17%	0.17	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	123.9	174.2	173.1	178.9	177.8	-175	0	109.2	Y100 G104 Q105 Y107 D120 Y124	Y100-K102 HydrophobicContact CD2-CB 4.28Å; Y100-K102 HydrophobicContact CE2-CB 3.83Å; Y100-K102 HydrophobicContact CE2-CD 4.39Å; K102-G104 PolarHBondContact O-N 3.45Å; K102-G104 VanDerWaalsContact O-N 3.13Å; K102-Q105 PolarHBondContact N-O 3.01Å; K102-Q105 PolarHBondContact O-N 3.36Å; K102-Y107 HydrophobicContact CB-CD2 3.89Å; K102-Y107 HydrophobicContact CB-CE2 3.81Å; K102-Y107 HydrophobicContact CD-CE2 4.33Å; K102-Y107 HydrophobicContact CG-CE2 4.33Å; K102-D120 WeakPolarHBondContact CD-OD2 3.4Å; K102-D120 WeakPolarHBondContact CE-OD2 3.23Å; K102-D120 IonicContact NZ-OD1 3.15Å; K102-D120 PolarHBondContact NZ-OD1 3.41Å; K102-D120 IonicContact NZ-OD2 3.82Å; K102-D120 PolarHBondContact NZ-OD2 3.3Å; K102-Y124 HydrophobicContact CB-CD1 4.37Å; K102-Y124 HydrophobicContact CB-CE1 4.23Å; K102-Y124 HydrophobicContact CD-CG 4.43Å; K102-Y124 HydrophobicContact CG-CD1 4.18Å; K102-Y124 HydrophobicContact CG-CD2 4.31Å; K102-Y124 HydrophobicContact CG-CE1 4.08Å; K102-Y124 HydrophobicContact CG-CE2 4.22Å; K102-Y124 HydrophobicContact CG-CG 4.28Å
103	K	87	Confident	90.1	Very high	176 Å²	176	53.4 Å²	53.4	77%	0.765	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	38.5	-178.9	-59.1	-178.4	177.5	-178.3	0	113.8	Q105	K103-Q105 VanDerWaalsContact C-N 3.31Å; K103-Q105 PolarHBondContact O-N 2.99Å
104	G	84.9	Confident	90.2	Very high	52 Å²	52	51.7 Å²	51.7	54%	0.536	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-13.9	179.8	0	0	0	0	0	115.5	Q101 K102	Q101-G104 PolarHBondContact NE2-O 3Å; K102-G104 PolarHBondContact O-N 3.45Å; K102-G104 VanDerWaalsContact O-N 3.13Å
105	Q	86.9	Confident	90.3	Very high	99 Å²	99	45.9 Å²	45.9	46%	0.463	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	151.4	179	-67.6	-177.5	-22.6	0	0	112.3	Q101 K102 K103 Y107 L325	Q101-Q105 VanDerWaalsContact CA-O 3.32Å; Q101-Q105 WeakPolarHBondContact CA-O 3.36Å; Q101-Q105 WeakPolarHBondContact CG-O 3.48Å; K102-Q105 PolarHBondContact N-O 3.01Å; K102-Q105 PolarHBondContact O-N 3.36Å; K103-Q105 VanDerWaalsContact C-N 3.31Å; K103-Q105 PolarHBondContact O-N 2.99Å; Q105-Y107 HydrophobicContact CB-CD2 4.49Å; Q105-Y107 HydrophobicContact CB-CE2 3.84Å; Q105-Y107 PolarHBondContact OE1-OH 3.05Å; Q105-L325 HydrophobicContact CB-CD1 4.35Å
106	W	89.9	Confident	90.3	Very high	105 Å²	105	42 Å²	42	40%	0.398	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.9	177	-71.9	99.7	0	0	0	110.9	Q99 Y136	Q99-W106 HydrophobicContact CB-CE3 3.96Å; Q99-W106 HydrophobicContact CB-CZ3 4.23Å; W106-Y136 AromaticContact CH2-CD1 4Å; W106-Y136 HydrophobicContact CH2-CD1 4Å; W106-Y136 AromaticContact CH2-CD2 3.63Å; W106-Y136 HydrophobicContact CH2-CD2 3.63Å; W106-Y136 AromaticContact CH2-CE1 3.97Å; W106-Y136 HydrophobicContact CH2-CE1 3.97Å; W106-Y136 AromaticContact CH2-CE2 3.61Å; W106-Y136 HydrophobicContact CH2-CE2 3.61Å; W106-Y136 AromaticContact CH2-CG 3.82Å; W106-Y136 HydrophobicContact CH2-CG 3.82Å; W106-Y136 AromaticContact CH2-CZ 3.78Å; W106-Y136 HydrophobicContact CZ3-CD1 4.38Å; W106-Y136 AromaticContact CZ3-CD2 3.41Å; W106-Y136 HydrophobicContact CZ3-CD2 3.41Å; W106-Y136 VanDerWaalsContact CZ3-CD2 3.41Å; W106-Y136 AromaticContact CZ3-CE2 3.78Å; W106-Y136 HydrophobicContact CZ3-CE2 3.78Å; W106-Y136 AromaticContact CZ3-CG 3.75Å; W106-Y136 HydrophobicContact CZ3-CG 3.75Å
107	Y	92.4	Very high	90	Very high	29 Å²	29	42.8 Å²	42.8	11%	0.114	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.7	176.4	-69.7	-94.4	0	0	0	109.8	Q99 Y100 K102 Q105 L325 D327	Q99-Y107 CarbonylContact C-O 3.52Å; Q99-Y107 WeakPolarHBondContact CA-O 3.46Å; Y100-Y107 HydrophobicContact CE1-CG 4.39Å; Y100-Y107 HydrophobicContact CE2-CD2 4.37Å; Y100-Y107 HydrophobicContact CE2-CG 4.44Å; Y100-Y107 VanDerWaalsContact CZ-CB 3.49Å; Y100-Y107 PolarHBondContact N-O 3.29Å; Y100-Y107 PolarHBondContact O-N 2.89Å; K102-Y107 HydrophobicContact CB-CD2 3.89Å; K102-Y107 HydrophobicContact CB-CE2 3.81Å; K102-Y107 HydrophobicContact CD-CE2 4.33Å; K102-Y107 HydrophobicContact CG-CE2 4.33Å; Q105-Y107 HydrophobicContact CB-CD2 4.49Å; Q105-Y107 HydrophobicContact CB-CE2 3.84Å; Q105-Y107 PolarHBondContact OE1-OH 3.05Å; Y107-L325 CarbonylContact C-O 3.58Å; Y107-L325 VanDerWaalsContact CA-O 3.25Å; Y107-L325 WeakPolarHBondContact CA-O 3.16Å; Y107-L325 HydrophobicContact CD1-CB 3.55Å; Y107-L325 HydrophobicContact CE1-CB 3.66Å; Y107-L325 HydrophobicContact CE1-CD1 3.98Å; Y107-L325 HydrophobicContact CE1-CG 4.48Å; Y107-L325 HydrophobicContact CG-CB 4.21Å; Y107-D327 HydrophobicContact CD1-CB 4.1Å; Y107-D327 HydrophobicContact CE1-CB 4.45Å
108	E	93.2	Very high	89.8	Confident	18 Å²	18	42.3 Å²	42.3	8%	0.084	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135.1	171.1	178.8	-177.6	-172.5	0	0	110.5	I97 L98 Y110 R178 P324 L325	I97-E108 HydrophobicContact CB-CG 4.35Å; I97-E108 VanDerWaalsContact CG2-OE1 3.31Å; I97-E108 WeakPolarHBondContact CG2-OE1 3.12Å; L98-E108 WeakPolarHBondContact O-CA 3.24Å; E108-Y110 PolarHBondContact O-N 3.41Å; E108-R178 IonicContact OE2-CZ 3.24Å; E108-R178 IonicContact OE2-NH2 2.62Å; E108-R178 PolarHBondContact OE2-NH2 3.4Å; E108-P324 HydrophobicContact CB-CB 3.69Å; E108-L325 PolarHBondContact N-O 3.25Å
109	I	93.6	Very high	89.6	Confident	8 Å²	8	42 Å²	42	4%	0.041	20%	0.199	C	C	.	.			trans	-80.1	83.2	165.5	-57.3	168.6	0	0	0	106.5	V67 L98 Y100 L119 I135	V67-I109 HydrophobicContact CB-CG2 4.3Å; V67-I109 HydrophobicContact CG1-CG2 3.75Å; V67-I109 HydrophobicContact CG2-CG2 3.5Å; V67-I109 VanDerWaalsContact CG2-CG2 3.5Å; L98-I109 HydrophobicContact CB-CB 4.07Å; L98-I109 HydrophobicContact CB-CD1 4.13Å; L98-I109 HydrophobicContact CB-CG1 4.48Å; L98-I109 PolarHBondContact O-N 2.86Å; Y100-I109 HydrophobicContact CD1-CD1 4.28Å; Y100-I109 HydrophobicContact CD1-CG1 3.83Å; Y100-I109 HydrophobicContact CE1-CG1 4.12Å; I109-L119 HydrophobicContact CD1-CD1 3.93Å; I109-L119 HydrophobicContact CG1-CD1 4.29Å; I109-L119 HydrophobicContact CG2-CD1 3.79Å; I109-L119 HydrophobicContact CG2-CD2 3.7Å; I109-L119 HydrophobicContact CG2-CG 4.43Å; I109-I135 HydrophobicContact CD1-CD1 3.62Å; I109-I135 HydrophobicContact CD1-CG1 4.25Å; I109-I135 HydrophobicContact CD1-CG2 4.16Å
110	Y	91.1	Very high	89.4	Confident	47 Å²	47	41.8 Å²	41.8	18%	0.184	20%	0.199	C	C	.	.			trans	-80.8	-42.8	-165.2	175	-105.4	0	0	0	113.5	E108 K112 F175 R178 V326 T330	E108-Y110 PolarHBondContact O-N 3.41Å; Y110-K112 PolarHBondContact O-N 2.95Å; Y110-F175 HydrophobicContact CD1-CD2 4.37Å; Y110-F175 AromaticContact CE1-CD2 3.94Å; Y110-F175 HydrophobicContact CE1-CD2 3.94Å; Y110-R178 HydrophobicContact CD2-CG 4.43Å; Y110-R178 HydrophobicContact CE1-CB 4.24Å; Y110-R178 HydrophobicContact CE1-CG 4.07Å; Y110-R178 HydrophobicContact CE2-CG 3.8Å; Y110-V326 HydrophobicContact CG-CG2 4.08Å; Y110-T330 HydrophobicContact CD1-CG2 4.2Å
111	D	90	Very high	89.3	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.011	20%	0.199	C	C	.	.			trans	-81.5	106.2	-173.6	178.9	17.3	0	0	0	111.9	V67 H113 Q114 T330 G331 R475	V67-D111 WeakPolarHBondContact CB-O 3.39Å; V67-D111 WeakPolarHBondContact CG2-O 2.97Å; D111-H113 PolarHBondContact O-N 2.82Å; D111-H113 PolarHBondContact OD1-N 3.17Å; D111-Q114 HydrophobicContact CB-CB 3.91Å; D111-Q114 VanDerWaalsContact O-CB 3.27Å; D111-Q114 WeakPolarHBondContact O-CB 3.48Å; D111-Q114 PolarHBondContact O-N 3.47Å; D111-Q114 VanDerWaalsContact O-N 3.09Å; D111-T330 HydrophobicContact CB-CG2 3.67Å; D111-G331 VanDerWaalsContact OD2-CA 3.26Å; D111-G331 WeakPolarHBondContact OD2-CA 3.4Å; D111-G331 PolarHBondContact OD2-N 3Å; D111-R475 VanDerWaalsContact OD1-CD 3.27Å; D111-R475 WeakPolarHBondContact OD1-CD 3.33Å; D111-R475 IonicContact OD1-CZ 2.78Å; D111-R475 IonicContact OD1-NE 3.8Å; D111-R475 PolarHBondContact OD1-NE 3.09Å; D111-R475 IonicContact OD2-NE 3.93Å
112	K	88.8	Confident	89.3	Confident	100 Å²	100	37.6 Å²	37.6	44%	0.435	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.2	179.1	71.5	176.1	-177.1	166.5	0	113.8	V67 E68 Y110	V67-K112 PolarHBondContact N-O 2.74Å; E68-K112 HydrophobicContact CB-CB 4.19Å; E68-K112 WeakPolarHBondContact CB-O 3.39Å; E68-K112 PolarHBondContact N-O 2.88Å; E68-K112 IonicContact OE1-NZ 3.71Å; Y110-K112 PolarHBondContact O-N 2.95Å
113	H	87.5	Confident	89.2	Confident	56 Å²	56	39.4 Å²	39.4	26%	0.259	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-6.9	-180	-59.6	-58.8	0	0	0	113.3	D111 L477	D111-H113 PolarHBondContact O-N 2.82Å; D111-H113 PolarHBondContact OD1-N 3.17Å; H113-L477 HydrophobicContact CB-CD1 3.98Å
114	Q	88.7	Confident	89.3	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.009	16%	0.163	C	C	.	.	S	Bend	trans	-64.5	141.5	-179.4	-170.2	169.2	1.2	0	0	111.2	T66 V67 D111 T118 L119 C329	T66-Q114 CarbonylContact C-O 3.59Å; T66-Q114 VanDerWaalsContact CA-O 3.3Å; T66-Q114 WeakPolarHBondContact CA-O 3.44Å; V67-Q114 HydrophobicContact CG2-CB 4.17Å; V67-Q114 PolarHBondContact N-O 3.48Å; D111-Q114 HydrophobicContact CB-CB 3.91Å; D111-Q114 VanDerWaalsContact O-CB 3.27Å; D111-Q114 WeakPolarHBondContact O-CB 3.48Å; D111-Q114 PolarHBondContact O-N 3.47Å; D111-Q114 VanDerWaalsContact O-N 3.09Å; Q114-T118 WeakPolarHBondContact CG-OG1 3.26Å; Q114-T118 PolarHBondContact NE2-O 3.41Å; Q114-T118 PolarHBondContact NE2-OG1 2.74Å; Q114-L119 HydrophobicContact CB-CD2 4.27Å; Q114-L119 VanDerWaalsContact CD-CD2 3.4Å; Q114-L119 HydrophobicContact CG-CD2 3.8Å; Q114-C329 PolarHBondContact NE2-O 3.31Å
115	V	87.2	Confident	89.6	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-81.5	131.8	179.7	-179.4	0	0	0	0	109.8	G63 Q117 T118 T333 L339	G63-V115 WeakPolarHBondContact O-CG1 3.28Å; V115-Q117 VanDerWaalsContact C-N 3.35Å; V115-Q117 HydrophobicContact CG1-CG 4.11Å; V115-Q117 PolarHBondContact O-N 3.18Å; V115-T118 HydrophobicContact CB-CG2 4.17Å; V115-T118 PolarHBondContact O-N 3.47Å; V115-T118 PolarHBondContact O-OG1 3.28Å; V115-T333 WeakPolarHBondContact CG2-O 3.38Å; V115-L339 HydrophobicContact CG2-CD2 4.4Å
116	L	88.4	Confident	89.7	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-53.9	-44.2	-168.4	-176.4	62.4	0	0	0	114.2	I38 I40 I61 C65 M70 T118 L119 I122	I38-L116 HydrophobicContact CB-CD2 4.47Å; I38-L116 HydrophobicContact CD1-CD2 4.15Å; I38-L116 HydrophobicContact CD1-CG 4.06Å; I40-L116 HydrophobicContact CD1-CD1 4.09Å; I40-L116 HydrophobicContact CD1-CD2 4.19Å; I61-L116 HydrophobicContact CB-CD2 3.72Å; I61-L116 HydrophobicContact CG2-CD2 3.58Å; C65-L116 WeakPolarHBondContact O-CB 3.27Å; C65-L116 PolarHBondContact O-N 2.91Å; M70-L116 HydrophobicContact CE-CD1 3.91Å; M70-L116 HydrophobicContact SD-CD1 3.52Å; M70-L116 VanDerWaalsContact SD-CD1 3.52Å; M70-L116 HydrophobicContact SD-CD2 4.47Å; L116-T118 PolarHBondContact O-N 3.43Å; L116-T118 VanDerWaalsContact O-N 3.16Å; L116-L119 HydrophobicContact CD1-CD1 3.57Å; L116-L119 HydrophobicContact CD1-CG 4.3Å; L116-L119 WeakPolarHBondContact O-CB 3.49Å; L116-L119 WeakPolarHBondContact O-CG 3.39Å; L116-L119 PolarHBondContact O-N 3.11Å; L116-L119 VanDerWaalsContact O-N 3.17Å; L116-I122 WeakPolarHBondContact O-CG1 3.42Å
117	Q	86	Confident	89.7	Confident	19 Å²	19	32.2 Å²	32.2	9%	0.089	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-66.3	-14.5	179.9	72.2	-163	-25.8	0	0	114.3	I38 G63 V115	I38-Q117 HydrophobicContact CD1-CB 4.25Å; G63-Q117 VanDerWaalsContact O-CB 3.28Å; G63-Q117 WeakPolarHBondContact O-CB 3.36Å; G63-Q117 VanDerWaalsContact O-CG 3.32Å; G63-Q117 WeakPolarHBondContact O-CG 3.42Å; G63-Q117 PolarHBondContact O-N 3.46Å; V115-Q117 VanDerWaalsContact C-N 3.35Å; V115-Q117 HydrophobicContact CG1-CG 4.11Å; V115-Q117 PolarHBondContact O-N 3.18Å
118	T	87.4	Confident	89.6	Confident	11 Å²	11	34.5 Å²	34.5	7%	0.067	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-94.4	-8.6	178.3	76.4	0	0	0	0	112.6	Q114 V115 L116 D120 V332	Q114-T118 WeakPolarHBondContact CG-OG1 3.26Å; Q114-T118 PolarHBondContact NE2-O 3.41Å; Q114-T118 PolarHBondContact NE2-OG1 2.74Å; V115-T118 HydrophobicContact CB-CG2 4.17Å; V115-T118 PolarHBondContact O-N 3.47Å; V115-T118 PolarHBondContact O-OG1 3.28Å; L116-T118 PolarHBondContact O-N 3.43Å; L116-T118 VanDerWaalsContact O-N 3.16Å; T118-D120 PolarHBondContact O-N 2.79Å; T118-V332 HydrophobicContact CG2-CG1 4.18Å; T118-V332 PolarHBondContact OG1-O 3.2Å
119	L	90.3	Very high	89.4	Confident	1 Å²	1	42 Å²	42	1%	0.005	20%	0.203	C	C	.	.	S	Bend	trans	-58.2	134.7	175.5	-64.6	-171.6	0	0	0	110	V67 M70 I109 Q114 L116 C121 I122 L123	V67-L119 HydrophobicContact CG2-CD1 4.33Å; V67-L119 HydrophobicContact CG2-CD2 3.91Å; M70-L119 HydrophobicContact CE-CD1 4.41Å; I109-L119 HydrophobicContact CD1-CD1 3.93Å; I109-L119 HydrophobicContact CG1-CD1 4.29Å; I109-L119 HydrophobicContact CG2-CD1 3.79Å; I109-L119 HydrophobicContact CG2-CD2 3.7Å; I109-L119 HydrophobicContact CG2-CG 4.43Å; Q114-L119 HydrophobicContact CB-CD2 4.27Å; Q114-L119 VanDerWaalsContact CD-CD2 3.4Å; Q114-L119 HydrophobicContact CG-CD2 3.8Å; L116-L119 HydrophobicContact CD1-CD1 3.57Å; L116-L119 HydrophobicContact CD1-CG 4.3Å; L116-L119 WeakPolarHBondContact O-CB 3.49Å; L116-L119 WeakPolarHBondContact O-CG 3.39Å; L116-L119 PolarHBondContact O-N 3.11Å; L116-L119 VanDerWaalsContact O-N 3.17Å; L119-C121 PolarHBondContact O-N 3.32Å; L119-I122 HydrophobicContact CB-CG1 4.08Å; L119-I122 PolarHBondContact O-N 2.87Å; L119-I122 VanDerWaalsContact O-N 3.08Å; L119-L123 PolarHBondContact O-N 2.9Å
120	D	90.3	Very high	89.1	Confident	21 Å²	21	47.4 Å²	47.4	11%	0.112	23%	0.226	C	C	.	.	H	α-helix	trans	-59	-35.3	178.8	176.8	83.7	0	0	0	111.8	Y100 K102 T118 I122 L123 Y124 D327 C329	Y100-D120 WeakPolarHBondContact OH-CB 3.33Å; Y100-D120 PolarHBondContact OH-OD2 3.38Å; Y100-D120 VanDerWaalsContact OH-OD2 3.05Å; K102-D120 WeakPolarHBondContact CD-OD2 3.4Å; K102-D120 WeakPolarHBondContact CE-OD2 3.23Å; K102-D120 IonicContact NZ-OD1 3.15Å; K102-D120 PolarHBondContact NZ-OD1 3.41Å; K102-D120 IonicContact NZ-OD2 3.82Å; K102-D120 PolarHBondContact NZ-OD2 3.3Å; T118-D120 PolarHBondContact O-N 2.79Å; D120-I122 VanDerWaalsContact C-N 3.31Å; D120-I122 PolarHBondContact O-N 3.43Å; D120-L123 PolarHBondContact O-N 3.48Å; D120-Y124 WeakPolarHBondContact O-CB 3.41Å; D120-Y124 PolarHBondContact O-N 2.86Å; D120-D327 HydrophobicContact CB-CB 3.92Å; D120-D327 WeakPolarHBondContact CB-OD1 3.38Å; D120-D327 WeakPolarHBondContact CB-OD2 3.43Å; D120-C329 HydrophobicContact CB-CB 4.06Å
121	C	91.3	Very high	88.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.4	-41.6	176.2	69.1	0	0	0	0	112.7	Y100 L119 Y124 W125	Y100-C121 HydrophobicContact CD1-CB 3.75Å; Y100-C121 HydrophobicContact CD2-CB 3.3Å; Y100-C121 HydrophobicContact CE1-CB 3.87Å; Y100-C121 HydrophobicContact CE2-CB 3.43Å; Y100-C121 VanDerWaalsContact CE2-CB 3.43Å; Y100-C121 HydrophobicContact CG-CB 3.46Å; Y100-C121 VanDerWaalsContact CG-CB 3.46Å; L119-C121 PolarHBondContact O-N 3.32Å; C121-Y124 PolarHBondContact O-N 3.23Å; C121-W125 HydrophobicContact CB-CH2 4.07Å; C121-W125 HydrophobicContact CB-CZ2 3.88Å; C121-W125 WeakPolarHBondContact O-CB 3.3Å; C121-W125 PolarHBondContact O-N 3.45Å
122	I	90.4	Very high	88.7	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-67.4	-47	178.6	-60.6	-48.9	0	0	0	110.2	I38 I40 L116 L119 D120 Y124 W125 K126	I38-I122 HydrophobicContact CD1-CG1 4.47Å; I38-I122 HydrophobicContact CD1-CG2 4.05Å; I38-I122 HydrophobicContact CG2-CD1 3.77Å; I40-I122 HydrophobicContact CD1-CD1 4.06Å; L116-I122 WeakPolarHBondContact O-CG1 3.42Å; L119-I122 HydrophobicContact CB-CG1 4.08Å; L119-I122 PolarHBondContact O-N 2.87Å; L119-I122 VanDerWaalsContact O-N 3.08Å; D120-I122 VanDerWaalsContact C-N 3.31Å; D120-I122 PolarHBondContact O-N 3.43Å; I122-Y124 VanDerWaalsContact C-N 3.3Å; I122-Y124 PolarHBondContact O-N 3.03Å; I122-W125 HydrophobicContact CD1-CE3 3.58Å; I122-W125 HydrophobicContact CD1-CH2 4.46Å; I122-W125 HydrophobicContact CD1-CZ3 3.39Å; I122-W125 PolarHBondContact O-N 3.22Å; I122-K126 HydrophobicContact CG2-CD 4.32Å; I122-K126 WeakPolarHBondContact O-CG 3.36Å; I122-K126 PolarHBondContact O-N 3.47Å
123	L	87.5	Confident	88.7	Confident	76 Å²	76	53 Å²	53	40%	0.398	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-43.7	177.1	-63.7	175.4	0	0	0	111.1	L119 D120 K126 V127	L119-L123 PolarHBondContact O-N 2.9Å; D120-L123 PolarHBondContact O-N 3.48Å; L123-K126 PolarHBondContact O-N 2.95Å; L123-V127 WeakPolarHBondContact O-CG2 3.27Å; L123-V127 PolarHBondContact O-N 3.29Å
124	Y	90.1	Very high	89	Confident	51 Å²	51	55 Å²	55	20%	0.2	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-44.8	177.3	177.7	-118.1	0	0	0	112.2	K102 D120 C121 I122 V127 L128	K102-Y124 HydrophobicContact CB-CD1 4.37Å; K102-Y124 HydrophobicContact CB-CE1 4.23Å; K102-Y124 HydrophobicContact CD-CG 4.43Å; K102-Y124 HydrophobicContact CG-CD1 4.18Å; K102-Y124 HydrophobicContact CG-CD2 4.31Å; K102-Y124 HydrophobicContact CG-CE1 4.08Å; K102-Y124 HydrophobicContact CG-CE2 4.22Å; K102-Y124 HydrophobicContact CG-CG 4.28Å; D120-Y124 WeakPolarHBondContact O-CB 3.41Å; D120-Y124 PolarHBondContact O-N 2.86Å; C121-Y124 PolarHBondContact O-N 3.23Å; I122-Y124 VanDerWaalsContact C-N 3.3Å; I122-Y124 PolarHBondContact O-N 3.03Å; Y124-V127 PolarHBondContact O-N 2.97Å; Y124-L128 HydrophobicContact CD1-CD1 4.13Å; Y124-L128 HydrophobicContact CD2-CD1 4.37Å; Y124-L128 HydrophobicContact CD2-CG 4.46Å; Y124-L128 HydrophobicContact CE1-CD1 3.57Å; Y124-L128 HydrophobicContact CE2-CD1 3.85Å; Y124-L128 HydrophobicContact CE2-CG 4.15Å; Y124-L128 VanDerWaalsContact CZ-CD1 3.42Å; Y124-L128 WeakPolarHBondContact O-CG 3.43Å; Y124-L128 PolarHBondContact O-N 2.96Å
125	W	91.5	Very high	89.3	Confident	17 Å²	17	54.9 Å²	54.9	6%	0.064	27%	0.265	C	S	.	.	H	α-helix	trans	-67	-37	177.2	-60.9	-22.5	0	0	0	112.8	C121 I122 L128 Q129 K130 G133 K134 I135	C121-W125 HydrophobicContact CB-CH2 4.07Å; C121-W125 HydrophobicContact CB-CZ2 3.88Å; C121-W125 WeakPolarHBondContact O-CB 3.3Å; C121-W125 PolarHBondContact O-N 3.45Å; I122-W125 HydrophobicContact CD1-CE3 3.58Å; I122-W125 HydrophobicContact CD1-CH2 4.46Å; I122-W125 HydrophobicContact CD1-CZ3 3.39Å; I122-W125 PolarHBondContact O-N 3.22Å; W125-L128 CarbonylContact O-C 3.52Å; W125-L128 PolarHBondContact O-N 2.95Å; W125-Q129 PolarHBondContact O-N 2.85Å; W125-K130 HydrophobicContact CB-CB 4.11Å; W125-K130 PolarHBondContact O-N 2.9Å; W125-G133 VanDerWaalsContact CE3-CA 3.5Å; W125-K134 WeakPolarHBondContact CZ2-O 3.47Å; W125-I135 HydrophobicContact CH2-CD1 4.29Å; W125-I135 HydrophobicContact CH2-CG1 3.79Å
126	K	88.1	Confident	89.7	Confident	91 Å²	91	58 Å²	58	40%	0.396	28%	0.277	S	S	.	.	H	α-helix	trans	-59.9	-45.7	172.4	-75.9	178.9	174.5	-172.8	0	111.4	E36 I122 L123 L128 Q129	E36-K126 WeakPolarHBondContact OE1-CE 3.31Å; E36-K126 IonicContact OE1-NZ 3.11Å; E36-K126 PolarHBondContact OE1-NZ 3.05Å; E36-K126 IonicContact OE2-NZ 2.72Å; E36-K126 PolarHBondContact OE2-NZ 3.44Å; I122-K126 HydrophobicContact CG2-CD 4.32Å; I122-K126 WeakPolarHBondContact O-CG 3.36Å; I122-K126 PolarHBondContact O-N 3.47Å; L123-K126 PolarHBondContact O-N 2.95Å; K126-L128 VanDerWaalsContact C-N 3.3Å; K126-L128 PolarHBondContact O-N 2.86Å; K126-Q129 PolarHBondContact O-N 3.02Å
127	V	90.2	Very high	89.9	Confident	122 Å²	122	58.4 Å²	58.4	74%	0.739	28%	0.279	S	S	*	.	H	α-helix	trans	-61.6	-38.7	175.6	172	0	0	0	0	111.5	L123 Y124 Q129	L123-V127 WeakPolarHBondContact O-CG2 3.27Å; L123-V127 PolarHBondContact O-N 3.29Å; Y124-V127 PolarHBondContact O-N 2.97Å; V127-Q129 PolarHBondContact O-N 3.21Å
128	L	90.4	Very high	90.2	Very high	77 Å²	77	59.8 Å²	59.8	40%	0.403	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	1.1	175.9	-67	-178.2	0	0	0	114.5	Y124 W125 K126 K130	Y124-L128 HydrophobicContact CD1-CD1 4.13Å; Y124-L128 HydrophobicContact CD2-CD1 4.37Å; Y124-L128 HydrophobicContact CD2-CG 4.46Å; Y124-L128 HydrophobicContact CE1-CD1 3.57Å; Y124-L128 HydrophobicContact CE2-CD1 3.85Å; Y124-L128 HydrophobicContact CE2-CG 4.15Å; Y124-L128 VanDerWaalsContact CZ-CD1 3.42Å; Y124-L128 WeakPolarHBondContact O-CG 3.43Å; Y124-L128 PolarHBondContact O-N 2.96Å; W125-L128 CarbonylContact O-C 3.52Å; W125-L128 PolarHBondContact O-N 2.95Å; K126-L128 VanDerWaalsContact C-N 3.3Å; K126-L128 PolarHBondContact O-N 2.86Å; L128-K130 HydrophobicContact CB-CD 4.48Å; L128-K130 HydrophobicContact CB-CG 4.1Å; L128-K130 HydrophobicContact CD1-CD 4.36Å; L128-K130 PolarHBondContact O-N 3.43Å; L128-K130 VanDerWaalsContact O-N 3.16Å
129	Q	89.6	Confident	90.3	Very high	177 Å²	177	63.7 Å²	63.7	83%	0.827	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	28.9	-173.4	-56	-177.2	-7.1	0	0	113.9	W125 K126 V127	W125-Q129 PolarHBondContact O-N 2.85Å; K126-Q129 PolarHBondContact O-N 3.02Å; V127-Q129 PolarHBondContact O-N 3.21Å
130	K	87.3	Confident	90.1	Very high	121 Å²	121	70.3 Å²	70.3	53%	0.526	34%	0.336	S	S	.	.			trans	-79	122.4	174.6	-74.9	-173.3	176.2	-176.4	0	109.8	W125 L128	W125-K130 HydrophobicContact CB-CB 4.11Å; W125-K130 PolarHBondContact O-N 2.9Å; L128-K130 HydrophobicContact CB-CD 4.48Å; L128-K130 HydrophobicContact CB-CG 4.1Å; L128-K130 HydrophobicContact CD1-CD 4.36Å; L128-K130 PolarHBondContact O-N 3.43Å; L128-K130 VanDerWaalsContact O-N 3.16Å
131	K	83.1	Confident	89.6	Confident	199 Å²	199	77.7 Å²	77.7	87%	0.865	37%	0.369	S	S	*	.	S	Bend	trans	-73.3	-31.3	178.9	-67.7	-173.3	177.9	-176.8	0	113.8
132	V	88.6	Confident	89	Confident	64 Å²	64	87 Å²	87	39%	0.388	41%	0.41	S	S	.	.	S	Bend	trans	-133.9	125.9	179.3	-177.2	0	0	0	0	108.1	E41 L58	E41-V132 HydrophobicContact CB-CG1 3.92Å; L58-V132 HydrophobicContact CD1-CG1 3.74Å; L58-V132 HydrophobicContact CD1-CG2 4.48Å
133	G	88.6	Confident	88.6	Confident	4 Å²	4	90.3 Å²	90.3	4%	0.041	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	167.2	172.2	0	0	0	0	0	112.5	E41 W125	E41-G133 PolarHBondContact N-O 3.47Å; W125-G133 VanDerWaalsContact CE3-CA 3.5Å
134	K	93.8	Very high	88.5	Confident	97 Å²	97	89 Å²	89	42%	0.422	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.5	-179.1	-60.5	-172.8	-176.3	-114.5	0	110.7	E41 I43 W125 Y136	E41-K134 HydrophobicContact CB-CG 4.5Å; E41-K134 CarbonylContact O-C 3.51Å; E41-K134 VanDerWaalsContact O-CA 3.29Å; E41-K134 WeakPolarHBondContact O-CA 3.26Å; E41-K134 WeakPolarHBondContact OE2-CE 3.15Å; E41-K134 WeakPolarHBondContact OE2-CG 3.45Å; E41-K134 IonicContact OE2-NZ 3.09Å; E41-K134 PolarHBondContact OE2-NZ 2.74Å; I43-K134 HydrophobicContact CD1-CD 4.23Å; W125-K134 WeakPolarHBondContact CZ2-O 3.47Å; K134-Y136 HydrophobicContact CB-CE2 4.32Å
135	I	95.8	Very high	88.5	Confident	0 Å²	0	94 Å²	94	0%	0	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.7	171.8	-60.9	-176.8	0	0	0	108.6	I40 E41 F42 I43 M70 L98 Q99 I109 W125	I40-I135 HydrophobicContact CD1-CD1 4.18Å; I40-I135 HydrophobicContact CG2-CB 4.26Å; I40-I135 HydrophobicContact CG2-CD1 3.71Å; I40-I135 HydrophobicContact CG2-CG1 3.72Å; E41-I135 PolarHBondContact O-N 2.87Å; F42-I135 CarbonylContact C-O 3.35Å; F42-I135 VanDerWaalsContact CA-O 3.31Å; F42-I135 WeakPolarHBondContact CA-O 3.48Å; F42-I135 HydrophobicContact CD1-CB 3.74Å; F42-I135 HydrophobicContact CD1-CG2 3.98Å; F42-I135 HydrophobicContact CE1-CB 3.73Å; F42-I135 HydrophobicContact CE1-CD1 3.81Å; F42-I135 HydrophobicContact CE1-CG1 4.22Å; F42-I135 HydrophobicContact CE1-CG2 3.92Å; F42-I135 HydrophobicContact CZ-CD1 4.3Å; I43-I135 PolarHBondContact N-O 3.22Å; M70-I135 HydrophobicContact SD-CD1 4.4Å; L98-I135 HydrophobicContact CB-CG2 3.94Å; L98-I135 HydrophobicContact CD2-CG2 4.18Å; Q99-I135 CarbonylContact O-C 3.52Å; Q99-I135 WeakPolarHBondContact O-CA 3.31Å; I109-I135 HydrophobicContact CD1-CD1 3.62Å; I109-I135 HydrophobicContact CD1-CG1 4.25Å; I109-I135 HydrophobicContact CD1-CG2 4.16Å; W125-I135 HydrophobicContact CH2-CD1 4.29Å; W125-I135 HydrophobicContact CH2-CG1 3.79Å
136	Y	95.1	Very high	88.4	Confident	67 Å²	67	100 Å²	100	26%	0.263	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.3	179.9	-64.6	-105	0	0	0	109.4	I43 L98 Q99 W106 K134	I43-Y136 HydrophobicContact CB-CD1 3.81Å; I43-Y136 HydrophobicContact CB-CE1 4.17Å; I43-Y136 HydrophobicContact CB-CG 4.29Å; I43-Y136 HydrophobicContact CD1-CD1 3.71Å; I43-Y136 HydrophobicContact CD1-CD2 4.39Å; I43-Y136 HydrophobicContact CD1-CE1 3.18Å; I43-Y136 HydrophobicContact CD1-CE2 3.94Å; I43-Y136 HydrophobicContact CD1-CG 4.29Å; I43-Y136 HydrophobicContact CG1-CD1 4.34Å; I43-Y136 HydrophobicContact CG1-CE1 4.24Å; I43-Y136 HydrophobicContact CG2-CD1 3.84Å; I43-Y136 HydrophobicContact CG2-CE1 4.11Å; L98-Y136 WeakPolarHBondContact CA-O 3.36Å; Q99-Y136 PolarHBondContact N-O 3.16Å; Q99-Y136 PolarHBondContact O-N 2.86Å; W106-Y136 AromaticContact CH2-CD1 4Å; W106-Y136 HydrophobicContact CH2-CD1 4Å; W106-Y136 AromaticContact CH2-CD2 3.63Å; W106-Y136 HydrophobicContact CH2-CD2 3.63Å; W106-Y136 AromaticContact CH2-CE1 3.97Å; W106-Y136 HydrophobicContact CH2-CE1 3.97Å; W106-Y136 AromaticContact CH2-CE2 3.61Å; W106-Y136 HydrophobicContact CH2-CE2 3.61Å; W106-Y136 AromaticContact CH2-CG 3.82Å; W106-Y136 HydrophobicContact CH2-CG 3.82Å; W106-Y136 AromaticContact CH2-CZ 3.78Å; W106-Y136 HydrophobicContact CZ3-CD1 4.38Å; W106-Y136 AromaticContact CZ3-CD2 3.41Å; W106-Y136 HydrophobicContact CZ3-CD2 3.41Å; W106-Y136 VanDerWaalsContact CZ3-CD2 3.41Å; W106-Y136 AromaticContact CZ3-CE2 3.78Å; W106-Y136 HydrophobicContact CZ3-CE2 3.78Å; W106-Y136 AromaticContact CZ3-CG 3.75Å; W106-Y136 HydrophobicContact CZ3-CG 3.75Å; K134-Y136 HydrophobicContact CB-CE2 4.32Å
137	V	93.6	Very high	88.3	Confident	7 Å²	7	97.4 Å²	97.4	4%	0.042	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	109.6	175	-176.5	0	0	0	0	107.8	I43 L44 I74 W75 F96 L98	I43-V137 PolarHBondContact O-N 3.3Å; L44-V137 HydrophobicContact CD2-CG2 4.31Å; I74-V137 HydrophobicContact CG2-CG2 4.22Å; W75-V137 HydrophobicContact CZ3-CG1 4.14Å; F96-V137 HydrophobicContact CB-CG1 3.94Å; F96-V137 HydrophobicContact CD1-CG1 4.08Å; F96-V137 HydrophobicContact CG-CG1 4.28Å; L98-V137 HydrophobicContact CD2-CB 4.41Å; L98-V137 HydrophobicContact CD2-CG1 4.48Å; L98-V137 HydrophobicContact CD2-CG2 3.74Å
138	V	92	Very high	88.3	Confident	49 Å²	49	96 Å²	96	30%	0.297	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.1	-170.2	-174.2	0	0	0	0	110	F96 I97 Q99	F96-V138 CarbonylContact C-O 3.53Å; F96-V138 WeakPolarHBondContact CA-O 3.43Å; I97-V138 HydrophobicContact CG1-CB 4.08Å; I97-V138 WeakPolarHBondContact CG1-O 3.4Å; I97-V138 PolarHBondContact N-O 3.18Å; I97-V138 PolarHBondContact O-N 2.91Å; Q99-V138 HydrophobicContact CG-CG2 4.5Å
139	Q	89.2	Confident	88.4	Confident	92 Å²	92	96 Å²	96	43%	0.43	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	133.7	177	-167.4	174.6	12.3	0	0	110.7	F96 Q141	F96-Q139 HydrophobicContact CD1-CB 3.95Å; F96-Q139 HydrophobicContact CD1-CG 4.46Å; F96-Q139 HydrophobicContact CE1-CB 3.65Å; F96-Q139 HydrophobicContact CE1-CG 4Å; F96-Q139 HydrophobicContact CZ-CB 4.27Å; F96-Q139 HydrophobicContact CZ-CG 4.1Å; Q139-Q141 PolarHBondContact O-N 2.74Å
140	K	85.2	Confident	88.6	Confident	141 Å²	141	88.3 Å²	88.3	61%	0.613	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-67.3	119.8	177.5	-163.7	171.9	-175.8	173.6	0	109.2	Q95 I97	Q95-K140 WeakPolarHBondContact O-CB 3.19Å; Q95-K140 PolarHBondContact O-N 3.36Å; I97-K140 HydrophobicContact CG2-CB 4.47Å; I97-K140 HydrophobicContact CG2-CD 4.47Å; I97-K140 HydrophobicContact CG2-CG 4.43Å
141	Q	79.9	Confident	88.9	Confident	175 Å²	175	83.6 Å²	83.6	82%	0.818	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-78.7	145.7	178.5	-64.4	-173.8	-1.9	0	0	110.5	Q139	Q139-Q141 PolarHBondContact O-N 2.74Å
142	K	78.6	Confident	89.5	Confident	196 Å²	196	79.6 Å²	79.6	85%	0.852	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-75.1	140.5	170.4	-70.1	-175.1	178.7	-178.5	0	109
143	P	81.5	Confident	89.8	Confident	74 Å²	74	79.5 Å²	79.5	48%	0.481	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-61.6	139.3	176.6	25.3	-32.4	0	0	0	110.2	V147	P143-V147 HydrophobicContact CB-CB 4.38Å; P143-V147 HydrophobicContact CB-CG1 4.09Å
144	S	87	Confident	90.2	Very high	47 Å²	47	79.3 Å²	79.3	33%	0.329	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-68.2	164.7	175	69.1	0	0	0	0	111.4	E146 V147 Q148	S144-E146 VanDerWaalsContact C-N 3.27Å; S144-E146 PolarHBondContact O-N 3.23Å; S144-V147 PolarHBondContact O-N 2.78Å; S144-V147 WeakPolarHBondContact OG-CG2 3.47Å; S144-V147 PolarHBondContact OG-N 2.98Å; S144-Q148 WeakPolarHBondContact O-CG 3.4Å; S144-Q148 PolarHBondContact O-N 3.07Å
145	E	89.3	Confident	90.4	Very high	156 Å²	156	75.7 Å²	75.7	73%	0.729	36%	0.36	S	S	*	.	H	α-helix	trans	-62.4	-35.3	175.7	-172.3	174.1	-174.2	0	0	112	V147 Q148 E149	E145-V147 PolarHBondContact O-N 3.44Å; E145-Q148 PolarHBondContact O-N 3.22Å; E145-E149 PolarHBondContact O-N 3.26Å
146	E	88.8	Confident	90.4	Very high	143 Å²	143	81.2 Å²	81.2	67%	0.668	39%	0.389	S	S	*	.	H	α-helix	trans	-61.6	-43.4	176	-175.2	176.3	-170.9	0	0	112	S144 Q148 E149 F150	S144-E146 VanDerWaalsContact C-N 3.27Å; S144-E146 PolarHBondContact O-N 3.23Å; E146-Q148 VanDerWaalsContact C-N 3.32Å; E146-Q148 PolarHBondContact O-N 2.69Å; E146-E149 PolarHBondContact O-N 3.32Å; E146-F150 WeakPolarHBondContact O-CB 3.28Å; E146-F150 PolarHBondContact O-N 2.85Å
147	V	87.4	Confident	90.5	Very high	38 Å²	38	78.3 Å²	78.3	23%	0.23	38%	0.378	C	S	.	.	H	α-helix	trans	-64.6	-38.8	176.7	171.2	0	0	0	0	111.4	P143 S144 E145 Q151 E322	P143-V147 HydrophobicContact CB-CB 4.38Å; P143-V147 HydrophobicContact CB-CG1 4.09Å; S144-V147 PolarHBondContact O-N 2.78Å; S144-V147 WeakPolarHBondContact OG-CG2 3.47Å; S144-V147 PolarHBondContact OG-N 2.98Å; E145-V147 PolarHBondContact O-N 3.44Å; V147-Q151 WeakPolarHBondContact O-CB 3.28Å; V147-Q151 PolarHBondContact O-N 3.42Å; V147-E322 VanDerWaalsContact CG2-OE2 3.31Å; V147-E322 WeakPolarHBondContact CG2-OE2 3.39Å
148	Q	90.1	Very high	90.6	Very high	91 Å²	91	78 Å²	78	43%	0.425	38%	0.376	S	S	.	.	H	α-helix	trans	-67.2	-41.1	177.1	-67.9	177.7	6.4	0	0	111.7	S144 E145 E146 Q151 R152	S144-Q148 WeakPolarHBondContact O-CG 3.4Å; S144-Q148 PolarHBondContact O-N 3.07Å; E145-Q148 PolarHBondContact O-N 3.22Å; E146-Q148 VanDerWaalsContact C-N 3.32Å; E146-Q148 PolarHBondContact O-N 2.69Å; Q148-Q151 PolarHBondContact O-N 3.29Å; Q148-R152 WeakPolarHBondContact O-CG 3.4Å; Q148-R152 PolarHBondContact O-N 3.5Å
149	E	92.6	Very high	90.8	Very high	77 Å²	77	78.3 Å²	78.3	36%	0.36	39%	0.389	S	S	.	.	H	α-helix	trans	-65.9	-43.5	176.5	-179.5	54.7	-153	0	0	111.7	E145 E146 Q151 R152 Q153	E145-E149 PolarHBondContact O-N 3.26Å; E146-E149 PolarHBondContact O-N 3.32Å; E149-Q151 VanDerWaalsContact C-N 3.31Å; E149-Q151 PolarHBondContact O-N 3.49Å; E149-R152 WeakPolarHBondContact O-CB 3.41Å; E149-R152 PolarHBondContact O-N 3.34Å; E149-R152 VanDerWaalsContact O-N 3.16Å; E149-R152 IonicContact OE2-CZ 2.67Å; E149-R152 IonicContact OE2-NE 2.84Å; E149-R152 PolarHBondContact OE2-NE 2.75Å; E149-R152 IonicContact OE2-NH2 3.36Å; E149-R152 PolarHBondContact OE2-NH2 3.43Å; E149-Q153 WeakPolarHBondContact O-CG 3.45Å; E149-Q153 PolarHBondContact O-N 3.4Å; E149-Q153 PolarHBondContact OE1-NE2 3.2Å; E149-Q153 VanDerWaalsContact OE1-NE2 3.16Å
150	F	93.3	Very high	91.1	Very high	16 Å²	16	75.4 Å²	75.4	7%	0.07	37%	0.374	C	S	.	.	H	α-helix	trans	-61.4	-41.2	174.7	-175.4	-122.4	0	0	0	111.9	E146 R152 Q153 L154 R725 L732	E146-F150 WeakPolarHBondContact O-CB 3.28Å; E146-F150 PolarHBondContact O-N 2.85Å; F150-R152 VanDerWaalsContact C-N 3.33Å; F150-R152 PolarHBondContact O-N 2.68Å; F150-Q153 PolarHBondContact O-N 2.9Å; F150-L154 HydrophobicContact CD1-CD1 4.08Å; F150-L154 HydrophobicContact CD1-CG 4.48Å; F150-L154 HydrophobicContact CE1-CD1 3.72Å; F150-L154 HydrophobicContact CE1-CG 4.23Å; F150-L154 HydrophobicContact CE2-CD2 4.2Å; F150-L154 HydrophobicContact CE2-CG 4.34Å; F150-L154 HydrophobicContact CZ-CD1 4.04Å; F150-L154 HydrophobicContact CZ-CD2 4.01Å; F150-L154 HydrophobicContact CZ-CG 4.15Å; F150-L154 WeakPolarHBondContact O-CG 3.47Å; F150-L154 PolarHBondContact O-N 3.07Å; F150-R725 HydrophobicContact CE1-CG 4.22Å; F150-L732 HydrophobicContact CE2-CD2 3.72Å; F150-L732 HydrophobicContact CZ-CD2 4.4Å
151	Q	94.1	Very high	91.5	Very high	23 Å²	23	71.9 Å²	71.9	11%	0.107	36%	0.362	C	S	.	.	H	α-helix	trans	-60.5	-41.1	174.3	-174.8	67.2	64.1	0	0	112.2	V147 Q148 E149 L154 N155 T163 E721	V147-Q151 WeakPolarHBondContact O-CB 3.28Å; V147-Q151 PolarHBondContact O-N 3.42Å; Q148-Q151 PolarHBondContact O-N 3.29Å; E149-Q151 VanDerWaalsContact C-N 3.31Å; E149-Q151 PolarHBondContact O-N 3.49Å; Q151-L154 PolarHBondContact O-N 3.05Å; Q151-N155 PolarHBondContact NE2-OD1 3.38Å; Q151-N155 PolarHBondContact O-N 3.37Å; Q151-N155 PolarHBondContact O-OD1 3.06Å; Q151-T163 HydrophobicContact CG-CG2 4.04Å; Q151-E721 PolarHBondContact NE2-OE1 2.94Å; Q151-E721 PolarHBondContact OE1-OE1 2.84Å; Q151-E721 VanDerWaalsContact OE1-OE1 3.1Å
152	R	95	Very high	92.1	Very high	114 Å²	114	64 Å²	64	43%	0.43	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-46.4	175.5	-74.9	-171.4	-73.3	-104.8	4.2	111.5	Q148 E149 F150 L154 N155 D156	Q148-R152 WeakPolarHBondContact O-CG 3.4Å; Q148-R152 PolarHBondContact O-N 3.5Å; E149-R152 WeakPolarHBondContact O-CB 3.41Å; E149-R152 PolarHBondContact O-N 3.34Å; E149-R152 VanDerWaalsContact O-N 3.16Å; E149-R152 IonicContact OE2-CZ 2.67Å; E149-R152 IonicContact OE2-NE 2.84Å; E149-R152 PolarHBondContact OE2-NE 2.75Å; E149-R152 IonicContact OE2-NH2 3.36Å; E149-R152 PolarHBondContact OE2-NH2 3.43Å; F150-R152 VanDerWaalsContact C-N 3.33Å; F150-R152 PolarHBondContact O-N 2.68Å; R152-L154 VanDerWaalsContact C-N 3.31Å; R152-L154 PolarHBondContact O-N 2.95Å; R152-N155 WeakPolarHBondContact O-CB 3.43Å; R152-N155 PolarHBondContact O-N 2.92Å; R152-N155 VanDerWaalsContact O-N 3.15Å; R152-D156 PolarHBondContact O-N 2.97Å
153	Q	95.6	Very high	92.6	Very high	62 Å²	62	57.6 Å²	57.6	29%	0.29	30%	0.303	S	S	.	.	H	α-helix	trans	-60.8	-40.2	177.5	-67.7	172.4	10.5	0	0	112.3	E149 F150 D156 L157	E149-Q153 WeakPolarHBondContact O-CG 3.45Å; E149-Q153 PolarHBondContact O-N 3.4Å; E149-Q153 PolarHBondContact OE1-NE2 3.2Å; E149-Q153 VanDerWaalsContact OE1-NE2 3.16Å; F150-Q153 PolarHBondContact O-N 2.9Å; Q153-D156 PolarHBondContact O-N 3.45Å; Q153-L157 WeakPolarHBondContact O-CG 3.29Å; Q153-L157 PolarHBondContact O-N 3.49Å; Q153-L157 VanDerWaalsContact O-N 3.12Å
154	L	96.8	Very high	93	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-44.7	174.2	-67	-176.9	0	0	0	111.5	F150 Q151 R152 D156 L157 I158 E721 L724 R725 L732	F150-L154 HydrophobicContact CD1-CD1 4.08Å; F150-L154 HydrophobicContact CD1-CG 4.48Å; F150-L154 HydrophobicContact CE1-CD1 3.72Å; F150-L154 HydrophobicContact CE1-CG 4.23Å; F150-L154 HydrophobicContact CE2-CD2 4.2Å; F150-L154 HydrophobicContact CE2-CG 4.34Å; F150-L154 HydrophobicContact CZ-CD1 4.04Å; F150-L154 HydrophobicContact CZ-CD2 4.01Å; F150-L154 HydrophobicContact CZ-CG 4.15Å; F150-L154 WeakPolarHBondContact O-CG 3.47Å; F150-L154 PolarHBondContact O-N 3.07Å; Q151-L154 PolarHBondContact O-N 3.05Å; R152-L154 VanDerWaalsContact C-N 3.31Å; R152-L154 PolarHBondContact O-N 2.95Å; L154-D156 VanDerWaalsContact C-N 3.3Å; L154-D156 PolarHBondContact O-N 3.42Å; L154-L157 PolarHBondContact O-N 3.03Å; L154-I158 HydrophobicContact CB-CD1 4.47Å; L154-I158 WeakPolarHBondContact O-CB 3.26Å; L154-I158 WeakPolarHBondContact O-CD1 3.42Å; L154-I158 WeakPolarHBondContact O-CG1 3.46Å; L154-I158 PolarHBondContact O-N 3.22Å; L154-E721 HydrophobicContact CD1-CG 4.34Å; L154-L724 HydrophobicContact CD2-CB 3.63Å; L154-L724 HydrophobicContact CD2-CD1 4.13Å; L154-R725 HydrophobicContact CD1-CG 3.62Å; L154-L732 HydrophobicContact CD2-CD1 4.06Å
155	N	96.9	Very high	92.8	Very high	22 Å²	22	59.3 Å²	59.3	12%	0.118	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-40.8	178	-70.2	-1.1	0	0	0	111.7	Q151 R152 I158 G159 Y160 D161	Q151-N155 PolarHBondContact NE2-OD1 3.38Å; Q151-N155 PolarHBondContact O-N 3.37Å; Q151-N155 PolarHBondContact O-OD1 3.06Å; R152-N155 WeakPolarHBondContact O-CB 3.43Å; R152-N155 PolarHBondContact O-N 2.92Å; R152-N155 VanDerWaalsContact O-N 3.15Å; N155-I158 PolarHBondContact O-N 2.93Å; N155-G159 PolarHBondContact O-N 3.49Å; N155-Y160 PolarHBondContact O-N 3.46Å; N155-D161 PolarHBondContact ND2-OD1 2.7Å
156	D	95.6	Very high	92.5	Very high	115 Å²	115	55.3 Å²	55.3	62%	0.615	30%	0.297	S	S	*	.	H	α-helix	trans	-63.3	-43.8	176.3	-69.3	-20	0	0	0	111.8	R152 Q153 L154 G159	R152-D156 PolarHBondContact O-N 2.97Å; Q153-D156 PolarHBondContact O-N 3.45Å; L154-D156 VanDerWaalsContact C-N 3.3Å; L154-D156 PolarHBondContact O-N 3.42Å; D156-G159 PolarHBondContact O-N 3.45Å
157	L	97.3	Very high	92.4	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-44.1	175.7	-77.1	176.5	0	0	0	112.4	Q153 L154 G159 R703 L724 L732 F735 M736 V739	Q153-L157 WeakPolarHBondContact O-CG 3.29Å; Q153-L157 PolarHBondContact O-N 3.49Å; Q153-L157 VanDerWaalsContact O-N 3.12Å; L154-L157 PolarHBondContact O-N 3.03Å; L157-G159 VanDerWaalsContact C-N 3.31Å; L157-R703 WeakPolarHBondContact O-CD 3.32Å; L157-R703 PolarHBondContact O-NE 2.98Å; L157-L724 HydrophobicContact CB-CD1 4.01Å; L157-L724 HydrophobicContact CD1-CD1 4.34Å; L157-L732 HydrophobicContact CD1-CD1 3.44Å; L157-L732 VanDerWaalsContact CD1-CD1 3.44Å; L157-L732 HydrophobicContact CD1-CG 4.11Å; L157-F735 HydrophobicContact CD2-CB 4.12Å; L157-M736 HydrophobicContact CD1-CG 4Å; L157-M736 HydrophobicContact CD2-CB 4.33Å; L157-M736 HydrophobicContact CD2-CG 3.78Å; L157-M736 HydrophobicContact CG-CG 4.18Å; L157-V739 HydrophobicContact CD2-CB 4.36Å; L157-V739 HydrophobicContact CD2-CG2 4.03Å
158	I	97.6	Very high	92.4	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-66.8	-36	179.3	-67.4	167	0	0	0	110.5	L154 N155 Y160 V162 I706 A717 L720 E721 L724	L154-I158 HydrophobicContact CB-CD1 4.47Å; L154-I158 WeakPolarHBondContact O-CB 3.26Å; L154-I158 WeakPolarHBondContact O-CD1 3.42Å; L154-I158 WeakPolarHBondContact O-CG1 3.46Å; L154-I158 PolarHBondContact O-N 3.22Å; N155-I158 PolarHBondContact O-N 2.93Å; I158-Y160 VanDerWaalsContact C-N 3.3Å; I158-V162 HydrophobicContact CD1-CG1 3.94Å; I158-I706 HydrophobicContact CG2-CD1 3.92Å; I158-I706 HydrophobicContact CG2-CG2 4.5Å; I158-A717 HydrophobicContact CG2-CB 3.74Å; I158-L720 HydrophobicContact CB-CD2 4.27Å; I158-L720 HydrophobicContact CG1-CB 4.37Å; I158-L720 HydrophobicContact CG1-CD2 3.94Å; I158-L720 HydrophobicContact CG1-CG 3.99Å; I158-L720 HydrophobicContact CG2-CD2 4.26Å; I158-E721 HydrophobicContact CD1-CB 3.89Å; I158-L724 HydrophobicContact CD1-CD1 4.37Å; I158-L724 HydrophobicContact CG1-CD1 3.78Å
159	G	95.1	Very high	92.1	Very high	54 Å²	54	48 Å²	48	56%	0.557	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	18.7	-170.2	0	0	0	0	0	113.3	N155 D156 L157	N155-G159 PolarHBondContact O-N 3.49Å; D156-G159 PolarHBondContact O-N 3.45Å; L157-G159 VanDerWaalsContact C-N 3.31Å
160	Y	95.1	Very high	91.8	Very high	31 Å²	31	46.3 Å²	46.3	12%	0.122	26%	0.258	C	S	.	.	S	Bend	trans	-153.1	142.1	178	-176.8	-96.5	0	0	0	110	N155 I158 V162 D164 I706 Q713 Q714 A717	N155-Y160 PolarHBondContact O-N 3.46Å; I158-Y160 VanDerWaalsContact C-N 3.3Å; Y160-V162 HydrophobicContact CD1-CG1 4.46Å; Y160-V162 PolarHBondContact O-N 3.16Å; Y160-D164 PolarHBondContact OH-OD2 3.4Å; Y160-I706 HydrophobicContact CG-CG2 4.49Å; Y160-Q713 HydrophobicContact CD2-CG 4.33Å; Y160-Q713 HydrophobicContact CE2-CG 4.15Å; Y160-Q714 HydrophobicContact CE1-CG 4.15Å; Y160-Q714 WeakPolarHBondContact OH-CG 2.98Å; Y160-A717 HydrophobicContact CD1-CB 3.55Å; Y160-A717 HydrophobicContact CE1-CB 4.37Å; Y160-A717 HydrophobicContact CG-CB 4.19Å
161	D	95.1	Very high	91.7	Very high	67 Å²	67	48.3 Å²	48.3	36%	0.358	27%	0.269	S	S	.	.			trans	-83	101.8	174.8	-175.8	2	0	0	0	110.7	N155 T163 D164	N155-D161 PolarHBondContact ND2-OD1 2.7Å; D161-T163 PolarHBondContact O-N 2.83Å; D161-T163 WeakPolarHBondContact OD1-CA 3.39Å; D161-T163 WeakPolarHBondContact OD1-CB 3.38Å; D161-T163 PolarHBondContact OD1-N 3.41Å; D161-T163 PolarHBondContact OD1-OG1 2.85Å; D161-T163 PolarHBondContact OD2-OG1 3.4Å; D161-D164 HydrophobicContact CB-CB 4.25Å; D161-D164 WeakPolarHBondContact O-CB 3.39Å; D161-D164 PolarHBondContact O-N 3.07Å; D161-D164 VanDerWaalsContact O-N 3.09Å
162	V	91.9	Very high	91.7	Very high	10 Å²	10	47.4 Å²	47.4	6%	0.061	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.2	178.2	-66	0	0	0	0	114.1	I158 Y160 A717 E721	I158-V162 HydrophobicContact CD1-CG1 3.94Å; Y160-V162 HydrophobicContact CD1-CG1 4.46Å; Y160-V162 PolarHBondContact O-N 3.16Å; V162-A717 HydrophobicContact CG1-CB 3.54Å; V162-A717 WeakPolarHBondContact CG1-O 3.18Å; V162-E721 HydrophobicContact CG1-CB 4.26Å; V162-E721 HydrophobicContact CG2-CB 4.41Å; V162-E721 HydrophobicContact CG2-CG 4.24Å; V162-E721 WeakPolarHBondContact CG2-OE2 3.49Å
163	T	89.6	Confident	91.6	Very high	62 Å²	62	42.9 Å²	42.9	38%	0.38	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.2	175.1	72.3	0	0	0	0	112.9	Q151 D161 V165	Q151-T163 HydrophobicContact CG-CG2 4.04Å; D161-T163 PolarHBondContact O-N 2.83Å; D161-T163 WeakPolarHBondContact OD1-CA 3.39Å; D161-T163 WeakPolarHBondContact OD1-CB 3.38Å; D161-T163 PolarHBondContact OD1-N 3.41Å; D161-T163 PolarHBondContact OD1-OG1 2.85Å; D161-T163 PolarHBondContact OD2-OG1 3.4Å; T163-V165 PolarHBondContact O-N 2.92Å
164	D	88.3	Confident	91.4	Very high	50 Å²	50	43 Å²	43	27%	0.267	25%	0.249	S	C	.	.			trans	-66.8	117.6	177.3	178.8	27.7	0	0	0	111.7	Y160 D161 S166	Y160-D164 PolarHBondContact OH-OD2 3.4Å; D161-D164 HydrophobicContact CB-CB 4.25Å; D161-D164 WeakPolarHBondContact O-CB 3.39Å; D161-D164 PolarHBondContact O-N 3.07Å; D161-D164 VanDerWaalsContact O-N 3.09Å; D164-S166 VanDerWaalsContact CG-OG 3.25Å; D164-S166 WeakPolarHBondContact OD1-CB 3.47Å; D164-S166 PolarHBondContact OD1-N 2.96Å; D164-S166 PolarHBondContact OD1-OG 2.86Å; D164-S166 PolarHBondContact OD2-OG 2.85Å; D164-S166 VanDerWaalsContact OD2-OG 3.05Å
165	V	84.5	Confident	91.2	Very high	107 Å²	107	43.1 Å²	43.1	65%	0.648	25%	0.25	S	C	*	.			trans	-110.4	12.4	175.5	-63.7	0	0	0	0	112.2	T163 N167 V168	T163-V165 PolarHBondContact O-N 2.92Å; V165-N167 VanDerWaalsContact C-N 3.3Å; V165-N167 PolarHBondContact O-N 2.74Å; V165-V168 HydrophobicContact CB-CG2 3.95Å; V165-V168 HydrophobicContact CG1-CG2 4.42Å; V165-V168 WeakPolarHBondContact O-CG2 3.28Å
166	S	81.8	Confident	91.1	Very high	71 Å²	71	42.1 Å²	42.1	50%	0.497	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-30.4	-178.7	68.7	0	0	0	0	112.8	D164 K513	D164-S166 VanDerWaalsContact CG-OG 3.25Å; D164-S166 WeakPolarHBondContact OD1-CB 3.47Å; D164-S166 PolarHBondContact OD1-N 2.96Å; D164-S166 PolarHBondContact OD1-OG 2.86Å; D164-S166 PolarHBondContact OD2-OG 2.85Å; D164-S166 VanDerWaalsContact OD2-OG 3.05Å; S166-K513 WeakPolarHBondContact O-CE 3.48Å; S166-K513 PolarHBondContact O-NZ 2.89Å
167	N	86.4	Confident	91.1	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.043	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	50.8	-178.9	-172.7	46.1	0	0	0	112.4	V165 T509 N510 P511 Q714	V165-N167 VanDerWaalsContact C-N 3.3Å; V165-N167 PolarHBondContact O-N 2.74Å; N167-T509 PolarHBondContact ND2-O 2.74Å; N167-T509 PolarHBondContact OD1-OG1 2.85Å; N167-N510 PolarHBondContact OD1-O 2.89Å; N167-P511 HydrophobicContact CB-CB 4.18Å; N167-Q714 PolarHBondContact O-NE2 3.32Å
168	V	86.9	Confident	90.8	Very high	46 Å²	46	37.9 Å²	37.9	28%	0.279	22%	0.22	S	C	.	.			trans	-131	153	170.4	-59.1	0	0	0	0	110.5	V165 D170 L173	V165-V168 HydrophobicContact CB-CG2 3.95Å; V165-V168 HydrophobicContact CG1-CG2 4.42Å; V165-V168 WeakPolarHBondContact O-CG2 3.28Å; V168-D170 WeakPolarHBondContact CB-O 3.34Å; V168-D170 WeakPolarHBondContact CG2-O 3.43Å; V168-L173 HydrophobicContact CG1-CD1 3.59Å; V168-L173 HydrophobicContact CG1-CG 4.46Å
169	H	83.9	Confident	90.6	Very high	65 Å²	65	40 Å²	40	30%	0.301	23%	0.227	S	C	.	.	S	Bend	trans	-116.7	-0.3	175.8	59.7	-86.3	0	0	0	112.4	L469 R479	H169-L469 WeakPolarHBondContact NE2-CD1 3.22Å; H169-R479 PolarHBondContact CD2-NH1 2.91Å; H169-R479 PolarHBondContact NE2-NH1 2.97Å
170	D	87.1	Confident	90.6	Very high	42 Å²	42	37.4 Å²	37.4	23%	0.225	20%	0.201	C	C	.	.	S	Bend	trans	-150.9	-170.9	172.5	59.1	46.8	0	0	0	109.8	V168 E172 R479	V168-D170 WeakPolarHBondContact CB-O 3.34Å; V168-D170 WeakPolarHBondContact CG2-O 3.43Å; D170-E172 VanDerWaalsContact OD1-CB 3.26Å; D170-E172 WeakPolarHBondContact OD1-CB 3.39Å; D170-E172 PolarHBondContact OD1-N 2.93Å; D170-R479 IonicContact OD2-CZ 3.29Å; D170-R479 IonicContact OD2-NH1 3.36Å; D170-R479 PolarHBondContact OD2-NH1 3.5Å; D170-R479 IonicContact OD2-NH2 3.13Å; D170-R479 PolarHBondContact OD2-NH2 3.24Å
171	D	90.8	Very high	90.6	Very high	58 Å²	58	36.1 Å²	36.1	31%	0.31	20%	0.196	S	C	.	.	S	Bend	trans	-108.2	23.5	-179.6	69.6	-16.7	0	0	0	113.6	L173 E174 F175 H474 R475	D171-L173 VanDerWaalsContact C-N 3.28Å; D171-L173 PolarHBondContact O-N 3.45Å; D171-E174 PolarHBondContact O-N 3.17Å; D171-F175 VanDerWaalsContact O-CB 3.28Å; D171-F175 WeakPolarHBondContact O-CB 3.33Å; D171-F175 PolarHBondContact O-N 2.9Å; D171-H474 IonicContact OD1-CE1 2.65Å; D171-H474 PolarHBondContact OD1-CE1 2.86Å; D171-H474 IonicContact OD1-NE2 3.59Å; D171-H474 PolarHBondContact OD1-NE2 3.34Å; D171-R475 VanDerWaalsContact CG-NH2 3.27Å; D171-R475 IonicContact OD1-CZ 3.75Å; D171-R475 IonicContact OD1-NH1 3.51Å; D171-R475 PolarHBondContact OD1-NH1 2.87Å; D171-R475 IonicContact OD1-NH2 3.79Å; D171-R475 PolarHBondContact OD1-NH2 2.92Å; D171-R475 VanDerWaalsContact OD1-NH2 3.15Å; D171-R475 IonicContact OD2-CZ 3.36Å; D171-R475 IonicContact OD2-NH1 3.7Å; D171-R475 IonicContact OD2-NH2 3.94Å; D171-R475 PolarHBondContact OD2-NH2 3.12Å
172	E	94.1	Very high	90.4	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-59.8	-37.7	-178.1	-169.2	-177.3	164.5	0	0	112.4	D170 F175 T176 H474 Y675 H676	D170-E172 VanDerWaalsContact OD1-CB 3.26Å; D170-E172 WeakPolarHBondContact OD1-CB 3.39Å; D170-E172 PolarHBondContact OD1-N 2.93Å; E172-F175 PolarHBondContact O-N 2.91Å; E172-T176 WeakPolarHBondContact O-CB 3.29Å; E172-T176 PolarHBondContact O-N 3.31Å; E172-T176 PolarHBondContact O-OG1 3.45Å; E172-H474 HydrophobicContact CG-CB 3.82Å; E172-Y675 WeakPolarHBondContact OE1-CA 3.47Å; E172-Y675 WeakPolarHBondContact OE1-CB 3.28Å; E172-H676 VanDerWaalsContact CD-CD2 3.4Å; E172-H676 HydrophobicContact CG-CB 4.5Å; E172-H676 IonicContact OE1-CD2 3.76Å; E172-H676 PolarHBondContact OE1-CD2 2.95Å; E172-H676 IonicContact OE1-CG 2.92Å; E172-H676 PolarHBondContact OE1-N 3.16Å; E172-H676 IonicContact OE2-CD2 2.84Å
173	L	92.8	Very high	90.4	Very high	19 Å²	19	33.4 Å²	33.4	10%	0.099	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-51.2	176.5	-70.2	177.5	0	0	0	111.4	V168 D171 F175 T176 R177 Q714 V718	V168-L173 HydrophobicContact CG1-CD1 3.59Å; V168-L173 HydrophobicContact CG1-CG 4.46Å; D171-L173 VanDerWaalsContact C-N 3.28Å; D171-L173 PolarHBondContact O-N 3.45Å; L173-F175 VanDerWaalsContact C-N 3.35Å; L173-F175 PolarHBondContact O-N 3.12Å; L173-T176 WeakPolarHBondContact O-CB 3.37Å; L173-T176 PolarHBondContact O-N 3.25Å; L173-T176 VanDerWaalsContact O-N 3.16Å; L173-R177 WeakPolarHBondContact O-CG 3.42Å; L173-R177 PolarHBondContact O-N 3.14Å; L173-Q714 HydrophobicContact CD1-CB 3.82Å; L173-Q714 HydrophobicContact CD1-CG 4.02Å; L173-Q714 HydrophobicContact CD2-CB 4Å; L173-V718 HydrophobicContact CD2-CG2 4.08Å
174	E	91.8	Very high	90.7	Very high	64 Å²	64	30.9 Å²	30.9	30%	0.299	17%	0.166	S	C	.	.	H	α-helix	trans	-64.5	-41.8	178.8	-175.1	59.8	-158.7	0	0	111	D171 T176 R177 R178	D171-E174 PolarHBondContact O-N 3.17Å; E174-T176 VanDerWaalsContact C-N 3.26Å; E174-T176 PolarHBondContact O-N 2.89Å; E174-R177 WeakPolarHBondContact O-CB 3.4Å; E174-R177 PolarHBondContact O-N 2.96Å; E174-R177 IonicContact OE1-NH1 3.89Å; E174-R177 WeakPolarHBondContact OE2-CD 3.37Å; E174-R177 IonicContact OE2-CZ 3.85Å; E174-R177 IonicContact OE2-NE 3.47Å; E174-R177 IonicContact OE2-NH1 3.35Å; E174-R177 PolarHBondContact OE2-NH1 3.46Å; E174-R178 VanDerWaalsContact O-CG 3.28Å; E174-R178 WeakPolarHBondContact O-CG 3.28Å; E174-R178 PolarHBondContact O-N 2.85Å
175	F	92.9	Very high	91	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	17%	0.169	C	C	.	.	H	α-helix	trans	-55.6	-42.9	172.9	179.6	-90.4	0	0	0	112.1	Y110 D171 E172 L173 R178 R179 T330 H474 R475	Y110-F175 HydrophobicContact CD1-CD2 4.37Å; Y110-F175 AromaticContact CE1-CD2 3.94Å; Y110-F175 HydrophobicContact CE1-CD2 3.94Å; D171-F175 VanDerWaalsContact O-CB 3.28Å; D171-F175 WeakPolarHBondContact O-CB 3.33Å; D171-F175 PolarHBondContact O-N 2.9Å; E172-F175 PolarHBondContact O-N 2.91Å; L173-F175 VanDerWaalsContact C-N 3.35Å; L173-F175 PolarHBondContact O-N 3.12Å; F175-R178 PolarHBondContact O-N 2.9Å; F175-R179 HydrophobicContact CD1-CG 4.29Å; F175-R179 HydrophobicContact CE1-CG 4.03Å; F175-R179 VanDerWaalsContact CZ-CD 3.43Å; F175-R179 HydrophobicContact CZ-CG 4.31Å; F175-R179 WeakPolarHBondContact O-CG 3.43Å; F175-R179 PolarHBondContact O-N 3.47Å; F175-T330 HydrophobicContact CE2-CG2 3.82Å; F175-T330 HydrophobicContact CZ-CG2 4.29Å; F175-H474 AromaticContact CD1-CD2 3.34Å; F175-H474 WeakPolarHBondContact CD1-CD2 3.36Å; F175-H474 AromaticContact CD2-CD2 3.69Å; F175-H474 AromaticContact CD2-NE2 3.91Å; F175-H474 HydrophobicContact CE1-CB 4.47Å; F175-H474 AromaticContact CE1-CD2 3.64Å; F175-H474 AromaticContact CE2-CD2 4Å; F175-H474 AromaticContact CG-CD2 3.34Å; F175-H474 WeakPolarHBondContact CG-CD2 3.4Å; F175-H474 AromaticContact CG-NE2 3.65Å; F175-H474 AromaticContact CZ-CD2 3.97Å; F175-R475 HydrophobicContact CE2-CG 4.45Å
176	T	94.9	Very high	91.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-66.2	-44.5	177.6	-59.5	0	0	0	0	111.5	E172 L173 E174 R178 R179 L180 H676 D677 V718	E172-T176 WeakPolarHBondContact O-CB 3.29Å; E172-T176 PolarHBondContact O-N 3.31Å; E172-T176 PolarHBondContact O-OG1 3.45Å; L173-T176 WeakPolarHBondContact O-CB 3.37Å; L173-T176 PolarHBondContact O-N 3.25Å; L173-T176 VanDerWaalsContact O-N 3.16Å; E174-T176 VanDerWaalsContact C-N 3.26Å; E174-T176 PolarHBondContact O-N 2.89Å; T176-R178 VanDerWaalsContact C-N 3.25Å; T176-R178 PolarHBondContact O-N 3.27Å; T176-R179 PolarHBondContact O-N 3.07Å; T176-R179 VanDerWaalsContact O-N 3.12Å; T176-L180 HydrophobicContact CG2-CD1 3.91Å; T176-L180 HydrophobicContact CG2-CG 4.1Å; T176-L180 WeakPolarHBondContact O-CG 3.45Å; T176-L180 PolarHBondContact O-N 3.45Å; T176-H676 HydrophobicContact CG2-CB 3.98Å; T176-H676 VanDerWaalsContact OG1-CB 3.31Å; T176-H676 WeakPolarHBondContact OG1-CB 3.22Å; T176-D677 HydrophobicContact CG2-CB 3.95Å; T176-V718 HydrophobicContact CG2-CG1 3.73Å
177	R	94.4	Very high	92	Very high	19 Å²	19	28.1 Å²	28.1	7%	0.072	14%	0.139	C	C	.	.	H	α-helix	trans	-53.2	-45.5	174.8	-67.9	173.1	75	-153.3	6.9	111	L173 E174 W323 V718 E721	L173-R177 WeakPolarHBondContact O-CG 3.42Å; L173-R177 PolarHBondContact O-N 3.14Å; E174-R177 WeakPolarHBondContact O-CB 3.4Å; E174-R177 PolarHBondContact O-N 2.96Å; E174-R177 IonicContact OE1-NH1 3.89Å; E174-R177 WeakPolarHBondContact OE2-CD 3.37Å; E174-R177 IonicContact OE2-CZ 3.85Å; E174-R177 IonicContact OE2-NE 3.47Å; E174-R177 IonicContact OE2-NH1 3.35Å; E174-R177 PolarHBondContact OE2-NH1 3.46Å; R177-W323 HydrophobicContact CB-CH2 4.15Å; R177-W323 HydrophobicContact CB-CZ3 4.07Å; R177-V718 HydrophobicContact CG-CB 4.32Å; R177-V718 HydrophobicContact CG-CG1 3.66Å; R177-V718 HydrophobicContact CG-CG2 3.83Å; R177-E721 IonicContact CZ-OE1 2.64Å; R177-E721 IonicContact CZ-OE2 2.8Å; R177-E721 IonicContact NE-OE1 3.65Å; R177-E721 IonicContact NE-OE2 2.72Å; R177-E721 PolarHBondContact NE-OE2 3.24Å; R177-E721 IonicContact NH2-OE1 2.84Å; R177-E721 PolarHBondContact NH2-OE1 3.26Å; R177-E721 IonicContact NH2-OE2 2.79Å; R177-E721 PolarHBondContact NH2-OE2 3.23Å
178	R	92.6	Very high	92.5	Very high	15 Å²	15	29.4 Å²	29.4	6%	0.057	15%	0.147	C	C	.	.	H	α-helix	trans	-66	-41.5	177.7	-60.2	-70.8	-64.6	156.8	11.1	112.7	E108 Y110 E174 F175 T176 V181 P324 V326	E108-R178 IonicContact OE2-CZ 3.24Å; E108-R178 IonicContact OE2-NH2 2.62Å; E108-R178 PolarHBondContact OE2-NH2 3.4Å; Y110-R178 HydrophobicContact CD2-CG 4.43Å; Y110-R178 HydrophobicContact CE1-CB 4.24Å; Y110-R178 HydrophobicContact CE1-CG 4.07Å; Y110-R178 HydrophobicContact CE2-CG 3.8Å; E174-R178 VanDerWaalsContact O-CG 3.28Å; E174-R178 WeakPolarHBondContact O-CG 3.28Å; E174-R178 PolarHBondContact O-N 2.85Å; F175-R178 PolarHBondContact O-N 2.9Å; T176-R178 VanDerWaalsContact C-N 3.25Å; T176-R178 PolarHBondContact O-N 3.27Å; R178-V181 WeakPolarHBondContact O-CB 3.47Å; R178-V181 VanDerWaalsContact O-CG2 3.27Å; R178-V181 WeakPolarHBondContact O-CG2 3.46Å; R178-P324 PolarHBondContact NH2-O 2.77Å; R178-V326 HydrophobicContact CB-CG2 4.21Å
179	R	93.4	Very high	92.8	Very high	44 Å²	44	31.2 Å²	31.2	17%	0.166	17%	0.167	C	C	.	.	H	α-helix	trans	-72.6	-29	-179.6	-73.1	-167.9	78.9	-160	16	114	F175 T176 V181 P183 D328 D677	F175-R179 HydrophobicContact CD1-CG 4.29Å; F175-R179 HydrophobicContact CE1-CG 4.03Å; F175-R179 VanDerWaalsContact CZ-CD 3.43Å; F175-R179 HydrophobicContact CZ-CG 4.31Å; F175-R179 WeakPolarHBondContact O-CG 3.43Å; F175-R179 PolarHBondContact O-N 3.47Å; T176-R179 PolarHBondContact O-N 3.07Å; T176-R179 VanDerWaalsContact O-N 3.12Å; R179-V181 VanDerWaalsContact C-N 3.27Å; R179-V181 PolarHBondContact O-N 2.98Å; R179-P183 WeakPolarHBondContact O-CD 3.28Å; R179-D328 PolarHBondContact NH2-O 2.73Å; R179-D677 WeakPolarHBondContact CB-OD2 3.35Å; R179-D677 VanDerWaalsContact CD-OD2 3.24Å; R179-D677 WeakPolarHBondContact CD-OD2 3.41Å; R179-D677 IonicContact CZ-OD2 2.79Å; R179-D677 IonicContact NE-OD2 3.2Å; R179-D677 PolarHBondContact NE-OD2 3.35Å; R179-D677 IonicContact NH1-OD2 2.7Å; R179-D677 PolarHBondContact NH1-OD2 2.66Å
180	L	94.6	Very high	93.3	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-74.8	-13.3	178.2	-68.3	-178.3	0	0	0	113.9	T176 T182 P183 R184 R682 L685 V718 A722	T176-L180 HydrophobicContact CG2-CD1 3.91Å; T176-L180 HydrophobicContact CG2-CG 4.1Å; T176-L180 WeakPolarHBondContact O-CG 3.45Å; T176-L180 PolarHBondContact O-N 3.45Å; L180-T182 PolarHBondContact O-N 3.38Å; L180-P183 WeakPolarHBondContact O-CD 3.39Å; L180-R184 VanDerWaalsContact O-CB 3.31Å; L180-R184 WeakPolarHBondContact O-CB 3.36Å; L180-R184 PolarHBondContact O-N 3.19Å; L180-R682 HydrophobicContact CD2-CG 3.96Å; L180-L685 HydrophobicContact CB-CD2 4.21Å; L180-L685 HydrophobicContact CD2-CD2 4.1Å; L180-V718 HydrophobicContact CD1-CG1 4.06Å; L180-A722 HydrophobicContact CB-CB 3.9Å; L180-A722 HydrophobicContact CD1-CB 3.96Å
181	V	94.1	Very high	93.7	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-57.7	-49.6	174.4	-178.4	0	0	0	0	111.5	R178 R179 R184 M185 E321 W323 L325	R178-V181 WeakPolarHBondContact O-CB 3.47Å; R178-V181 VanDerWaalsContact O-CG2 3.27Å; R178-V181 WeakPolarHBondContact O-CG2 3.46Å; R179-V181 VanDerWaalsContact C-N 3.27Å; R179-V181 PolarHBondContact O-N 2.98Å; V181-R184 PolarHBondContact O-N 3.43Å; V181-M185 HydrophobicContact CG1-CG 4.24Å; V181-M185 HydrophobicContact CG1-SD 3.81Å; V181-M185 WeakPolarHBondContact O-CG 3.46Å; V181-M185 PolarHBondContact O-N 3.5Å; V181-E321 HydrophobicContact CG1-CG 3.88Å; V181-W323 HydrophobicContact CG2-CE3 3.5Å; V181-W323 HydrophobicContact CG2-CZ3 4.09Å; V181-L325 HydrophobicContact CG1-CD2 3.92Å
182	T	91.1	Very high	93.9	Very high	11 Å²	11	33.4 Å²	33.4	7%	0.067	19%	0.185	C	C	.	.	H	α-helix	trans	-64.2	-52	-173.8	-62	0	0	0	0	111.7	L180 R184 M185 I186 V326	L180-T182 PolarHBondContact O-N 3.38Å; T182-R184 VanDerWaalsContact C-N 3.3Å; T182-R184 PolarHBondContact O-N 2.8Å; T182-M185 PolarHBondContact O-N 2.88Å; T182-I186 HydrophobicContact CG2-CD1 3.77Å; T182-I186 HydrophobicContact CG2-CG1 4.46Å; T182-I186 VanDerWaalsContact O-CG1 3.29Å; T182-I186 WeakPolarHBondContact O-CG1 3.36Å; T182-I186 PolarHBondContact O-N 3.37Å; T182-V326 PolarHBondContact OG1-O 3.29Å
183	P	93.2	Very high	94	Very high	9 Å²	9	36.7 Å²	36.7	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-55.5	-42.1	173.4	-25.8	34	0	0	0	113.4	R179 L180 E187 R682	R179-P183 WeakPolarHBondContact O-CD 3.28Å; L180-P183 WeakPolarHBondContact O-CD 3.39Å; P183-E187 PolarHBondContact O-N 3.41Å; P183-R682 HydrophobicContact CG-CG 4.32Å
184	R	95.7	Very high	94	Very high	10 Å²	10	42.3 Å²	42.3	4%	0.038	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-48.6	178.8	-174.3	-157.9	69.5	-154.7	-8.7	111.5	L180 V181 T182 E187 V188 E321 L685 L689 A722	L180-R184 VanDerWaalsContact O-CB 3.31Å; L180-R184 WeakPolarHBondContact O-CB 3.36Å; L180-R184 PolarHBondContact O-N 3.19Å; V181-R184 PolarHBondContact O-N 3.43Å; T182-R184 VanDerWaalsContact C-N 3.3Å; T182-R184 PolarHBondContact O-N 2.8Å; R184-E187 PolarHBondContact O-N 2.82Å; R184-V188 VanDerWaalsContact O-CG2 3.3Å; R184-V188 WeakPolarHBondContact O-CG2 3.35Å; R184-V188 PolarHBondContact O-N 3.14Å; R184-E321 IonicContact CZ-OE2 3.24Å; R184-E321 IonicContact NH1-OE2 2.74Å; R184-E321 PolarHBondContact NH1-OE2 2.9Å; R184-E321 IonicContact NH2-OE2 3.75Å; R184-E321 PolarHBondContact NH2-OE2 3.23Å; R184-L685 HydrophobicContact CB-CD2 4.37Å; R184-L689 HydrophobicContact CB-CD1 4.02Å; R184-L689 HydrophobicContact CG-CD1 3.58Å; R184-A722 WeakPolarHBondContact CD-O 3.26Å; R184-A722 WeakPolarHBondContact CG-O 3.39Å
185	M	93.3	Very high	94.2	Very high	67 Å²	67	42.8 Å²	42.8	33%	0.33	24%	0.235	S	C	.	.	H	α-helix	trans	-66.2	-38	-179.4	-72.9	-172.8	67.5	0	0	112.8	V181 T182 A189 E321 L325	V181-M185 HydrophobicContact CG1-CG 4.24Å; V181-M185 HydrophobicContact CG1-SD 3.81Å; V181-M185 WeakPolarHBondContact O-CG 3.46Å; V181-M185 PolarHBondContact O-N 3.5Å; T182-M185 PolarHBondContact O-N 2.88Å; M185-A189 VanDerWaalsContact O-CB 3.26Å; M185-A189 WeakPolarHBondContact O-CB 3.47Å; M185-A189 PolarHBondContact O-N 3.37Å; M185-E321 HydrophobicContact CE-CB 4.18Å; M185-E321 HydrophobicContact SD-CB 3.75Å; M185-E321 HydrophobicContact SD-CG 3.75Å; M185-L325 HydrophobicContact CE-CD2 4.38Å; M185-L325 HydrophobicContact SD-CD2 3.46Å; M185-L325 WeakPolarHBondContact SD-CD2 3.34Å
186	I	92.7	Very high	94.3	Very high	96 Å²	96	42.9 Å²	42.9	49%	0.492	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-47.4	174.5	-69.5	168.1	0	0	0	109.9	T182 A189 C190	T182-I186 HydrophobicContact CG2-CD1 3.77Å; T182-I186 HydrophobicContact CG2-CG1 4.46Å; T182-I186 VanDerWaalsContact O-CG1 3.29Å; T182-I186 WeakPolarHBondContact O-CG1 3.36Å; T182-I186 PolarHBondContact O-N 3.37Å; I186-A189 PolarHBondContact O-N 2.89Å; I186-C190 VanDerWaalsContact O-CB 3.3Å; I186-C190 WeakPolarHBondContact O-CB 3.44Å; I186-C190 PolarHBondContact O-N 3.46Å; I186-C190 PolarHBondContact O-SG 3.05Å
187	E	96.1	Very high	94.4	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.028	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-44.3	-178.9	-167	61.5	-134.9	0	0	112.1	P183 R184 A189 C190 R191 R686 L689 R690	P183-E187 PolarHBondContact O-N 3.41Å; R184-E187 PolarHBondContact O-N 2.82Å; E187-A189 VanDerWaalsContact C-N 3.29Å; E187-A189 PolarHBondContact O-N 2.86Å; E187-C190 PolarHBondContact O-N 3.24Å; E187-R191 WeakPolarHBondContact O-CB 3.31Å; E187-R191 PolarHBondContact O-N 3.18Å; E187-R686 HydrophobicContact CG-CB 4.48Å; E187-L689 HydrophobicContact CB-CB 4.29Å; E187-L689 HydrophobicContact CB-CD1 4.33Å; E187-L689 HydrophobicContact CG-CB 3.74Å; E187-R690 WeakPolarHBondContact OE1-CB 3.5Å; E187-R690 IonicContact OE1-CZ 3.85Å; E187-R690 IonicContact OE1-NE 3.34Å; E187-R690 PolarHBondContact OE1-NE 2.94Å; E187-R690 IonicContact OE1-NH2 3.96Å; E187-R690 PolarHBondContact OE1-NH2 3.07Å; E187-R690 VanDerWaalsContact OE1-NH2 3.13Å; E187-R690 IonicContact OE2-CZ 3.15Å; E187-R690 IonicContact OE2-NE 2.66Å; E187-R690 IonicContact OE2-NH2 2.58Å; E187-R690 PolarHBondContact OE2-NH2 3.14Å
188	V	95.3	Very high	94.4	Very high	36 Å²	36	42.8 Å²	42.8	22%	0.218	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-37.3	176.6	171.3	0	0	0	0	111.9	R184 V318	R184-V188 VanDerWaalsContact O-CG2 3.3Å; R184-V188 WeakPolarHBondContact O-CG2 3.35Å; R184-V188 PolarHBondContact O-N 3.14Å; V188-V318 HydrophobicContact CG1-CB 4.28Å; V188-V318 HydrophobicContact CG1-CG2 3.86Å; V188-V318 HydrophobicContact CG2-CG2 4.46Å
189	A	93.6	Very high	94.5	Very high	84 Å²	84	43.2 Å²	43.2	69%	0.694	24%	0.239	S	C	*	.	H	α-helix	trans	-76.2	-27.7	178.7	0	0	0	0	0	113.5	M185 I186 E187	M185-A189 VanDerWaalsContact O-CB 3.26Å; M185-A189 WeakPolarHBondContact O-CB 3.47Å; M185-A189 PolarHBondContact O-N 3.37Å; I186-A189 PolarHBondContact O-N 2.89Å; E187-A189 VanDerWaalsContact C-N 3.29Å; E187-A189 PolarHBondContact O-N 2.86Å
190	C	94.7	Very high	94.6	Very high	98 Å²	98	42.4 Å²	42.4	66%	0.662	24%	0.239	S	C	*	.	H	α-helix	trans	-93.7	-19.8	-176.5	-70.5	0	0	0	0	114	I186 E187	I186-C190 VanDerWaalsContact O-CB 3.3Å; I186-C190 WeakPolarHBondContact O-CB 3.44Å; I186-C190 PolarHBondContact O-N 3.46Å; I186-C190 PolarHBondContact O-SG 3.05Å; E187-C190 PolarHBondContact O-N 3.24Å
191	R	94.7	Very high	94.6	Very high	32 Å²	32	45.4 Å²	45.4	12%	0.121	25%	0.251	C	S	.	.	S	Bend	trans	-67.1	142.2	-178.5	74.3	-176	-176.7	-165.6	0.6	111.4	E187 Y196 D316 L689 G726	E187-R191 WeakPolarHBondContact O-CB 3.31Å; E187-R191 PolarHBondContact O-N 3.18Å; R191-Y196 VanDerWaalsContact CZ-CE1 3.46Å; R191-Y196 VanDerWaalsContact NH1-CE1 3.31Å; R191-D316 PolarHBondContact NH2-O 3.28Å; R191-L689 PolarHBondContact NH1-O 3.3Å; R191-G726 PolarHBondContact NH1-O 3.22Å
192	D	95.5	Very high	94.7	Very high	80 Å²	80	47.2 Å²	47.2	43%	0.428	26%	0.262	S	S	.	.			trans	-70.9	122.9	171.8	-179	-76.9	0	0	0	109.5	K194 L195 Y196	D192-K194 VanDerWaalsContact C-N 3.35Å; D192-K194 PolarHBondContact O-N 3.07Å; D192-K194 WeakPolarHBondContact OD1-CA 3.11Å; D192-K194 WeakPolarHBondContact OD1-CB 3.48Å; D192-K194 PolarHBondContact OD1-N 3.3Å; D192-L195 HydrophobicContact CB-CB 4.05Å; D192-L195 HydrophobicContact CB-CD1 4.05Å; D192-L195 HydrophobicContact CB-CG 4.2Å; D192-L195 PolarHBondContact OD1-N 3.3Å; D192-Y196 VanDerWaalsContact O-CB 3.27Å; D192-Y196 WeakPolarHBondContact O-CB 3.48Å; D192-Y196 PolarHBondContact O-N 2.8Å
193	P	95.7	Very high	94.8	Very high	73 Å²	73	47 Å²	47	47%	0.474	26%	0.261	S	S	.	.	H	α-helix	trans	-66.8	-35	-173.7	25.6	-33.9	0	0	0	112.6	A197 P313	P193-A197 WeakPolarHBondContact O-CB 3.48Å; P193-A197 PolarHBondContact O-N 2.99Å; P193-A197 VanDerWaalsContact O-N 3.12Å; P193-P313 HydrophobicContact CB-CB 3.79Å; P193-P313 HydrophobicContact CB-CG 4.48Å
194	K	94.2	Very high	94.7	Very high	137 Å²	137	51.3 Å²	51.3	60%	0.596	29%	0.291	S	S	*	.	H	α-helix	trans	-73.7	-47.5	-179.4	-69.3	-174.5	176.3	-172.6	0	111.1	D192 Y196 A197 M198 P313	D192-K194 VanDerWaalsContact C-N 3.35Å; D192-K194 PolarHBondContact O-N 3.07Å; D192-K194 WeakPolarHBondContact OD1-CA 3.11Å; D192-K194 WeakPolarHBondContact OD1-CB 3.48Å; D192-K194 PolarHBondContact OD1-N 3.3Å; K194-Y196 VanDerWaalsContact C-N 3.3Å; K194-Y196 PolarHBondContact O-N 3Å; K194-A197 PolarHBondContact O-N 3.34Å; K194-M198 HydrophobicContact CB-CE 3.93Å; K194-M198 WeakPolarHBondContact O-CE 3.22Å; K194-M198 PolarHBondContact O-N 3.5Å; K194-P313 HydrophobicContact CG-CG 4.11Å
195	L	94.9	Very high	94.5	Very high	75 Å²	75	53.1 Å²	53.1	39%	0.393	30%	0.299	S	S	.	.	H	α-helix	trans	-66.2	-32.9	177.1	-65.3	177.3	0	0	0	111.6	D192 H199 P200	D192-L195 HydrophobicContact CB-CB 4.05Å; D192-L195 HydrophobicContact CB-CD1 4.05Å; D192-L195 HydrophobicContact CB-CG 4.2Å; D192-L195 PolarHBondContact OD1-N 3.3Å; L195-H199 WeakPolarHBondContact O-CA 3.47Å; L195-H199 PolarHBondContact O-N 3.02Å; L195-P200 HydrophobicContact CD2-CG 4.19Å
196	Y	96.6	Very high	94.5	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-66.5	-43.9	173	-173.6	-108.5	0	0	0	111.9	R191 D192 K194 D316 L689 R690 K692 C727	R191-Y196 VanDerWaalsContact CZ-CE1 3.46Å; R191-Y196 VanDerWaalsContact NH1-CE1 3.31Å; D192-Y196 VanDerWaalsContact O-CB 3.27Å; D192-Y196 WeakPolarHBondContact O-CB 3.48Å; D192-Y196 PolarHBondContact O-N 2.8Å; K194-Y196 VanDerWaalsContact C-N 3.3Å; K194-Y196 PolarHBondContact O-N 3Å; Y196-D316 HydrophobicContact CD1-CB 4.13Å; Y196-D316 HydrophobicContact CE1-CB 4.26Å; Y196-L689 WeakPolarHBondContact CE2-O 3.22Å; Y196-R690 WeakPolarHBondContact CD2-O 2.93Å; Y196-K692 HydrophobicContact CD1-CG 4.44Å; Y196-K692 HydrophobicContact CD2-CG 4.12Å; Y196-K692 HydrophobicContact CE1-CD 4.34Å; Y196-K692 HydrophobicContact CE1-CG 4.02Å; Y196-K692 HydrophobicContact CE2-CG 3.67Å; Y196-K692 HydrophobicContact CG-CG 4.49Å; Y196-K692 VanDerWaalsContact O-CD 3.26Å; Y196-K692 WeakPolarHBondContact O-CD 3.37Å; Y196-K692 WeakPolarHBondContact O-CE 3.23Å; Y196-K692 WeakPolarHBondContact O-CG 3.2Å; Y196-C727 WeakPolarHBondContact CE1-O 3.34Å; Y196-C727 PolarHBondContact OH-O 3.03Å
197	A	96.2	Very high	94.4	Very high	6 Å²	6	52.2 Å²	52.2	5%	0.05	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-46.1	178.9	0	0	0	0	0	111.8	P193 K194 H199 P311 D316	P193-A197 WeakPolarHBondContact O-CB 3.48Å; P193-A197 PolarHBondContact O-N 2.99Å; P193-A197 VanDerWaalsContact O-N 3.12Å; K194-A197 PolarHBondContact O-N 3.34Å; A197-H199 PolarHBondContact O-ND1 3.32Å; A197-P311 HydrophobicContact CB-CG 4.04Å; A197-D316 WeakPolarHBondContact CA-OD2 3.36Å
198	M	95.4	Very high	94.2	Very high	12 Å²	12	52.2 Å²	52.2	6%	0.059	30%	0.303	C	S	.	.	H	α-helix	trans	-89.7	-23.3	-175.5	-67.4	-177.5	-70.2	0	0	114.9	K194 V271 Y280 T282 P310 P311	K194-M198 HydrophobicContact CB-CE 3.93Å; K194-M198 WeakPolarHBondContact O-CE 3.22Å; K194-M198 PolarHBondContact O-N 3.5Å; M198-V271 HydrophobicContact SD-CB 4.32Å; M198-V271 HydrophobicContact SD-CG2 3.77Å; M198-Y280 HydrophobicContact CB-CD1 4.46Å; M198-Y280 HydrophobicContact CB-CD2 4.04Å; M198-Y280 HydrophobicContact CB-CG 3.88Å; M198-Y280 HydrophobicContact CG-CD1 4.08Å; M198-Y280 HydrophobicContact CG-CD2 4.32Å; M198-Y280 HydrophobicContact CG-CE1 4.46Å; M198-Y280 HydrophobicContact CG-CG 3.99Å; M198-Y280 VanDerWaalsContact O-CD2 3.26Å; M198-Y280 WeakPolarHBondContact O-CD2 3.34Å; M198-Y280 HydrophobicContact SD-CD1 4.37Å; M198-T282 HydrophobicContact CB-CG2 4Å; M198-T282 HydrophobicContact CE-CG2 3.92Å; M198-T282 HydrophobicContact SD-CG2 3.98Å; M198-P310 HydrophobicContact SD-CB 4.37Å; M198-P311 HydrophobicContact CG-CG 3.59Å
199	H	93.4	Very high	94	Very high	23 Å²	23	55.9 Å²	55.9	11%	0.106	32%	0.318	C	S	.	.			trans	40	63	174.5	63.7	-76.9	0	0	0	115.1	L195 A197 W201 K692	L195-H199 WeakPolarHBondContact O-CA 3.47Å; L195-H199 PolarHBondContact O-N 3.02Å; A197-H199 PolarHBondContact O-ND1 3.32Å; H199-W201 PolarHBondContact O-N 3.42Å; H199-K692 HydrophobicContact CB-CB 4.1Å
200	P	94.8	Very high	93.9	Very high	27 Å²	27	53.9 Å²	53.9	18%	0.175	29%	0.293	C	S	.	.			trans	-57.1	132.5	-176.7	24.9	-34.3	0	0	0	111.6	L195 T202 T282 F290	L195-P200 HydrophobicContact CD2-CG 4.19Å; P200-T202 HydrophobicContact CB-CG2 4.25Å; P200-T282 HydrophobicContact CB-CG2 4.28Å; P200-T282 HydrophobicContact CG-CG2 4.33Å; P200-F290 HydrophobicContact CB-CE1 3.96Å
201	W	95.9	Very high	93.7	Very high	65 Å²	65	49.4 Å²	49.4	25%	0.246	26%	0.262	C	S	.	.			trans	-98.5	99.9	179.6	-170.2	12.9	0	0	0	110.5	H199 H291 R693	H199-W201 PolarHBondContact O-N 3.42Å; W201-H291 AromaticContact CD1-CD2 3.19Å; W201-H291 AromaticContact CD1-CG 3.95Å; W201-H291 AromaticContact CD1-NE2 3.76Å; W201-H291 HydrophobicContact CD2-CB 3.93Å; W201-H291 AromaticContact CE2-CD2 3.8Å; W201-H291 AromaticContact CE2-CG 3.8Å; W201-H291 HydrophobicContact CE3-CB 4.22Å; W201-H291 HydrophobicContact CG-CB 4.23Å; W201-H291 AromaticContact CG-CD2 3.73Å; W201-H291 HydrophobicContact CZ2-CB 4.47Å; W201-H291 AromaticContact NE1-CD2 3.2Å; W201-H291 PolarHBondContact NE1-CD2 3.2Å; W201-H291 AromaticContact NE1-CG 3.67Å; W201-H291 AromaticContact NE1-NE2 3.5Å; W201-H291 PolarHBondContact NE1-NE2 2.91Å; W201-H291 PolarHBondContact O-N 3.02Å; W201-H291 VanDerWaalsContact O-N 3.1Å; W201-R693 VanDerWaalsContact CZ3-NH2 3.27Å
202	T	95.4	Very high	93.5	Very high	41 Å²	41	53.5 Å²	53.5	25%	0.252	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-130.1	160.7	-170.9	59.8	0	0	0	0	112.1	P200 T285 D289 F290	P200-T202 HydrophobicContact CB-CG2 4.25Å; T202-T285 HydrophobicContact CG2-CG2 3.78Å; T202-D289 CarbonylContact C-O 3.57Å; T202-D289 VanDerWaalsContact CA-O 3.23Å; T202-D289 WeakPolarHBondContact CA-O 2.92Å; T202-F290 HydrophobicContact CG2-CD1 3.66Å; T202-F290 HydrophobicContact CG2-CD2 4.46Å; T202-F290 HydrophobicContact CG2-CE1 3.6Å; T202-F290 HydrophobicContact CG2-CE2 4.42Å; T202-F290 HydrophobicContact CG2-CG 4.11Å; T202-F290 HydrophobicContact CG2-CZ 4.01Å
203	T	93.5	Very high	93.2	Very high	6 Å²	6	56.6 Å²	56.6	4%	0.037	29%	0.291	C	S	.	.			trans	-131.5	146	171.3	178.4	0	0	0	0	111.1	K205 D289 R294 E655	T203-K205 WeakPolarHBondContact OG1-CB 3.49Å; T203-K205 WeakPolarHBondContact OG1-CD 3.38Å; T203-K205 WeakPolarHBondContact OG1-CG 3.39Å; T203-K205 PolarHBondContact OG1-N 3.33Å; T203-K205 VanDerWaalsContact OG1-N 3.12Å; T203-D289 PolarHBondContact N-O 3.02Å; T203-D289 WeakPolarHBondContact O-CB 3.47Å; T203-R294 VanDerWaalsContact CG2-CZ 3.4Å; T203-E655 PolarHBondContact OG1-OE1 3.46Å
204	S	91.8	Very high	92.8	Very high	99 Å²	99	59.2 Å²	59.2	69%	0.692	30%	0.295	S	S	*	.			trans	-86.7	-5.5	171.9	66.2	0	0	0	0	113.6	E655	S204-E655 VanDerWaalsContact CB-OE2 3.26Å; S204-E655 WeakPolarHBondContact CB-OE2 3.5Å; S204-E655 PolarHBondContact N-OE2 3.42Å; S204-E655 PolarHBondContact OG-OE2 2.94Å
205	K	91.1	Very high	92.8	Very high	48 Å²	48	53.6 Å²	53.6	21%	0.209	27%	0.271	C	S	.	.	S	Bend	trans	-64.3	141.8	-178.7	-65.3	166.2	-170.4	160.7	0	110.2	T203 R294 E655 D657 D658	T203-K205 WeakPolarHBondContact OG1-CB 3.49Å; T203-K205 WeakPolarHBondContact OG1-CD 3.38Å; T203-K205 WeakPolarHBondContact OG1-CG 3.39Å; T203-K205 PolarHBondContact OG1-N 3.33Å; T203-K205 VanDerWaalsContact OG1-N 3.12Å; K205-R294 PolarHBondContact O-NH1 3.33Å; K205-R294 VanDerWaalsContact O-NH1 3.07Å; K205-R294 PolarHBondContact O-NH2 3.37Å; K205-E655 WeakPolarHBondContact CE-OE1 3.39Å; K205-E655 IonicContact NZ-OE1 2.72Å; K205-D657 IonicContact NZ-OD2 3.16Å; K205-D657 PolarHBondContact NZ-OD2 3.3Å; K205-D658 WeakPolarHBondContact CE-OD1 3.38Å; K205-D658 IonicContact NZ-OD1 3.93Å; K205-D658 PolarHBondContact NZ-OD1 2.98Å
206	P	92.4	Very high	92.5	Very high	112 Å²	112	54.8 Å²	54.8	73%	0.727	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-62	157	176.9	28.4	-35.4	0	0	0	111.4	P208 R294	P206-P208 VanDerWaalsContact O-CD 3.3Å; P206-P208 WeakPolarHBondContact O-CD 3.27Å; P206-R294 PolarHBondContact O-NH1 3.45Å
207	L	91.5	Very high	92.2	Very high	32 Å²	32	61 Å²	61	17%	0.168	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-64	124	171.1	-85	170.9	0	0	0	110.1	L211 I215 I237 K288 R294	L207-L211 HydrophobicContact CD2-CB 4.17Å; L207-L211 HydrophobicContact CD2-CD1 4.21Å; L207-I215 HydrophobicContact CD1-CD1 3.74Å; L207-I237 HydrophobicContact CD1-CD1 4.13Å; L207-K288 HydrophobicContact CD1-CB 3.99Å; L207-K288 HydrophobicContact CD1-CD 3.85Å; L207-K288 HydrophobicContact CD1-CG 4.16Å; L207-K288 HydrophobicContact CG-CB 4.47Å; L207-K288 HydrophobicContact CG-CD 4.49Å; L207-K288 HydrophobicContact CG-CG 4.49Å; L207-R294 HydrophobicContact CD2-CG 4.22Å
208	P	92.1	Very high	92.1	Very high	7 Å²	7	63.6 Å²	63.6	5%	0.045	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-59.7	151.8	172.7	-23.1	32.6	0	0	0	112.8	P206 Y210 L211 F212 E859	P206-P208 VanDerWaalsContact O-CD 3.3Å; P206-P208 WeakPolarHBondContact O-CD 3.27Å; P208-Y210 HydrophobicContact CB-CD1 3.61Å; P208-Y210 HydrophobicContact CB-CE1 3.22Å; P208-Y210 HydrophobicContact CB-CE2 4.44Å; P208-Y210 HydrophobicContact CB-CG 4.36Å; P208-Y210 HydrophobicContact CG-CE1 3.89Å; P208-Y210 PolarHBondContact O-N 2.94Å; P208-L211 HydrophobicContact CG-CD1 4.45Å; P208-L211 PolarHBondContact O-N 3.02Å; P208-F212 PolarHBondContact O-N 3.3Å; P208-E859 HydrophobicContact CB-CG 4.41Å; P208-E859 HydrophobicContact CG-CG 3.46Å; P208-E859 VanDerWaalsContact CG-CG 3.46Å; P208-E859 VanDerWaalsContact CG-OE1 3.31Å; P208-E859 WeakPolarHBondContact CG-OE1 3.4Å
209	E	91.5	Very high	92.1	Very high	112 Å²	112	65.1 Å²	65.1	52%	0.523	34%	0.336	S	S	.	.	H	α-helix	trans	-57.3	-37.5	-176.7	-164.5	-164.9	146.5	0	0	112.7	L211 F212 K213	E209-L211 VanDerWaalsContact C-N 3.33Å; E209-L211 PolarHBondContact O-N 3.13Å; E209-F212 PolarHBondContact O-N 2.79Å; E209-K213 WeakPolarHBondContact O-CG 3.48Å; E209-K213 PolarHBondContact O-N 2.73Å; E209-K213 VanDerWaalsContact O-N 3.15Å; E209-K213 WeakPolarHBondContact OE1-CE 3.34Å; E209-K213 IonicContact OE1-NZ 3.82Å; E209-K213 PolarHBondContact OE1-NZ 3.24Å
210	Y	89.6	Confident	92.3	Very high	43 Å²	43	64.4 Å²	64.4	17%	0.169	33%	0.333	C	S	.	.	H	α-helix	trans	-68.9	-29	180	65.6	-97.2	0	0	0	113.1	P208 D864	P208-Y210 HydrophobicContact CB-CD1 3.61Å; P208-Y210 HydrophobicContact CB-CE1 3.22Å; P208-Y210 HydrophobicContact CB-CE2 4.44Å; P208-Y210 HydrophobicContact CB-CG 4.36Å; P208-Y210 HydrophobicContact CG-CE1 3.89Å; P208-Y210 PolarHBondContact O-N 2.94Å; Y210-D864 HydrophobicContact CD1-CB 4.18Å; Y210-D864 HydrophobicContact CD2-CB 3.96Å; Y210-D864 HydrophobicContact CE1-CB 4.08Å; Y210-D864 HydrophobicContact CE2-CB 3.84Å; Y210-D864 HydrophobicContact CG-CB 4.14Å
211	L	90.8	Very high	92.3	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-79	-38.5	172.3	-69.5	-172.2	0	0	0	111.4	L207 P208 E209 K213 K214 R294 L297 K298	L207-L211 HydrophobicContact CD2-CB 4.17Å; L207-L211 HydrophobicContact CD2-CD1 4.21Å; P208-L211 HydrophobicContact CG-CD1 4.45Å; P208-L211 PolarHBondContact O-N 3.02Å; E209-L211 VanDerWaalsContact C-N 3.33Å; E209-L211 PolarHBondContact O-N 3.13Å; L211-K213 PolarHBondContact O-N 3.41Å; L211-K214 VanDerWaalsContact O-CB 3.32Å; L211-K214 WeakPolarHBondContact O-CB 3.44Å; L211-K214 PolarHBondContact O-N 2.86Å; L211-R294 HydrophobicContact CD1-CB 4.01Å; L211-R294 HydrophobicContact CD1-CG 4.34Å; L211-L297 HydrophobicContact CD2-CB 4.29Å; L211-K298 HydrophobicContact CD2-CB 3.83Å; L211-K298 HydrophobicContact CD2-CG 4.48Å
212	F	90.4	Very high	92.4	Very high	117 Å²	117	65.5 Å²	65.5	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-58.2	-38.1	177.3	-167.7	-98	0	0	0	111.8	P208 E209 K214 I215	P208-F212 PolarHBondContact O-N 3.3Å; E209-F212 PolarHBondContact O-N 2.79Å; F212-K214 PolarHBondContact O-N 2.92Å; F212-I215 PolarHBondContact O-N 3.03Å
213	K	89.5	Confident	92.5	Very high	146 Å²	146	64.3 Å²	64.3	64%	0.635	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.2	174.7	-73.3	172.2	-175.4	165	0	114.4	E209 L211	E209-K213 WeakPolarHBondContact O-CG 3.48Å; E209-K213 PolarHBondContact O-N 2.73Å; E209-K213 VanDerWaalsContact O-N 3.15Å; E209-K213 WeakPolarHBondContact OE1-CE 3.34Å; E209-K213 IonicContact OE1-NZ 3.82Å; E209-K213 PolarHBondContact OE1-NZ 3.24Å; L211-K213 PolarHBondContact O-N 3.41Å
214	K	88.9	Confident	92.6	Very high	128 Å²	128	64 Å²	64	56%	0.557	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-14.4	176.2	-59.9	-73.2	-173.4	173.2	0	112.5	L211 F212	L211-K214 VanDerWaalsContact O-CB 3.32Å; L211-K214 WeakPolarHBondContact O-CB 3.44Å; L211-K214 PolarHBondContact O-N 2.86Å; F212-K214 PolarHBondContact O-N 2.92Å
215	I	92.3	Very high	92.7	Very high	19 Å²	19	60.7 Å²	60.7	10%	0.097	30%	0.301	C	S	.	.			trans	-94.1	134.7	-177.8	-61.4	164.5	0	0	0	109.2	L207 F212 I220 I237 L297	L207-I215 HydrophobicContact CD1-CD1 3.74Å; F212-I215 PolarHBondContact O-N 3.03Å; I215-I220 HydrophobicContact CG1-CG2 4.17Å; I215-I220 HydrophobicContact CG2-CG2 4.42Å; I215-I237 HydrophobicContact CD1-CD1 4.04Å; I215-I237 HydrophobicContact CD1-CG2 4.16Å; I215-I237 HydrophobicContact CG1-CG2 4.48Å; I215-I237 HydrophobicContact CG2-CD1 4.4Å; I215-I237 HydrophobicContact CG2-CG2 3.78Å; I215-L297 HydrophobicContact CD1-CD1 4.19Å; I215-L297 HydrophobicContact CG1-CD1 4.22Å; I215-L297 HydrophobicContact CG1-CD2 4.39Å
216	T	90.1	Very high	92.7	Very high	99 Å²	99	60.8 Å²	60.8	61%	0.607	30%	0.3	S	S	*	.	B	Isolated β-bridge	trans	-110.1	123	-179.9	-55.4	0	0	0	0	110.7	N218 N219	T216-N218 VanDerWaalsContact C-N 3.29Å; T216-N218 PolarHBondContact O-N 3.38Å; T216-N219 PolarHBondContact O-N 3.26Å; T216-N219 VanDerWaalsContact O-N 3.07Å
217	N	90.3	Very high	92.2	Very high	134 Å²	134	59 Å²	59	72%	0.717	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	42.6	178.6	-61.6	-21.8	0	0	0	113.4	N219	N217-N219 PolarHBondContact O-N 3.41Å; N217-N219 VanDerWaalsContact O-N 3.15Å; N217-N219 PolarHBondContact O-ND2 3.27Å
218	N	93.8	Very high	91.7	Very high	62 Å²	62	64.6 Å²	64.6	33%	0.332	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	22.9	-178.2	-150.3	56.8	0	0	0	115	T216 I237 D238	T216-N218 VanDerWaalsContact C-N 3.29Å; T216-N218 PolarHBondContact O-N 3.38Å; N218-I237 PolarHBondContact O-N 3.39Å; N218-I237 VanDerWaalsContact O-N 3.08Å; N218-I237 WeakPolarHBondContact OD1-CD1 3.45Å; N218-I237 VanDerWaalsContact OD1-CG1 3.28Å; N218-I237 WeakPolarHBondContact OD1-CG1 3.42Å; N218-D238 PolarHBondContact ND2-OD2 2.98Å
219	N	95.9	Very high	91.5	Very high	44 Å²	44	66.7 Å²	66.7	24%	0.235	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.9	-176.9	-70.9	-80.5	0	0	0	111.8	T216 N217 K234 V235 S236	T216-N219 PolarHBondContact O-N 3.26Å; T216-N219 VanDerWaalsContact O-N 3.07Å; N217-N219 PolarHBondContact O-N 3.41Å; N217-N219 VanDerWaalsContact O-N 3.15Å; N217-N219 PolarHBondContact O-ND2 3.27Å; N219-K234 HydrophobicContact CB-CD 4.27Å; N219-K234 HydrophobicContact CB-CG 3.95Å; N219-K234 VanDerWaalsContact ND2-CE 3.34Å; N219-K234 WeakPolarHBondContact ND2-CE 3.38Å; N219-V235 VanDerWaalsContact CA-O 3.22Å; N219-V235 WeakPolarHBondContact CA-O 3.45Å; N219-V235 WeakPolarHBondContact CB-O 3.44Å; N219-V235 PolarHBondContact OD1-O 2.85Å; N219-S236 PolarHBondContact OD1-N 3.38Å
220	I	96.1	Very high	91.5	Very high	8 Å²	8	64.3 Å²	64.3	4%	0.041	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	162	170.7	58.3	174.1	0	0	0	110.1	I215 I222 V235 I237 I287 I293 L297 I303	I215-I220 HydrophobicContact CG1-CG2 4.17Å; I215-I220 HydrophobicContact CG2-CG2 4.42Å; I220-I222 HydrophobicContact CD1-CG2 4.25Å; I220-I222 HydrophobicContact CG1-CG2 4.45Å; I220-V235 HydrophobicContact CD1-CG2 4.36Å; I220-V235 HydrophobicContact CG1-CG2 3.71Å; I220-V235 PolarHBondContact N-O 3.49Å; I220-V235 PolarHBondContact O-N 2.73Å; I220-I237 HydrophobicContact CB-CG2 4.4Å; I220-I237 HydrophobicContact CG1-CG2 4.18Å; I220-I237 HydrophobicContact CG2-CG2 3.65Å; I220-I287 HydrophobicContact CD1-CD1 4.36Å; I220-I287 HydrophobicContact CD1-CG1 4.35Å; I220-I287 HydrophobicContact CD1-CG2 3.98Å; I220-I293 HydrophobicContact CD1-CG2 3.96Å; I220-L297 HydrophobicContact CG2-CD2 3.9Å; I220-I303 HydrophobicContact CD1-CD1 3.96Å
221	F	96.3	Very high	91.7	Very high	115 Å²	115	64.7 Å²	64.7	50%	0.504	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.1	172.6	-67.6	-82.1	0	0	0	109.6	K232 I233 K234	F221-K232 HydrophobicContact CB-CG 4.43Å; F221-K232 HydrophobicContact CD1-CG 4.33Å; F221-I233 WeakPolarHBondContact CA-O 3.47Å; F221-K234 HydrophobicContact CD1-CB 3.98Å; F221-K234 HydrophobicContact CD1-CG 4.41Å; F221-K234 HydrophobicContact CE1-CB 3.76Å; F221-K234 HydrophobicContact CE1-CD 4.22Å; F221-K234 HydrophobicContact CE1-CG 4.04Å; F221-K234 HydrophobicContact CZ-CD 4.26Å; F221-K234 HydrophobicContact CZ-CG 4.39Å
222	I	97	Very high	91.9	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.2	173.6	64	176.2	0	0	0	109.2	I220 I224 K232 I233 V235 I244 I287 I303 L305	I220-I222 HydrophobicContact CD1-CG2 4.25Å; I220-I222 HydrophobicContact CG1-CG2 4.45Å; I222-I224 HydrophobicContact CD1-CD1 4.28Å; I222-I224 HydrophobicContact CD1-CG1 4.46Å; I222-K232 WeakPolarHBondContact O-CA 3.43Å; I222-I233 HydrophobicContact CD1-CD1 3.83Å; I222-I233 HydrophobicContact CD1-CG1 3.95Å; I222-I233 HydrophobicContact CG1-CD1 3.89Å; I222-I233 HydrophobicContact CG1-CG1 3.41Å; I222-I233 VanDerWaalsContact CG1-CG1 3.41Å; I222-I233 PolarHBondContact N-O 2.96Å; I222-I233 PolarHBondContact O-N 3.48Å; I222-V235 HydrophobicContact CD1-CG1 3.85Å; I222-V235 HydrophobicContact CD1-CG2 4.01Å; I222-V235 HydrophobicContact CG1-CG1 4.16Å; I222-V235 HydrophobicContact CG1-CG2 4.17Å; I222-V235 HydrophobicContact CG2-CG2 4.19Å; I222-I244 HydrophobicContact CD1-CD1 4.3Å; I222-I244 HydrophobicContact CD1-CG2 3.55Å; I222-I287 HydrophobicContact CD1-CD1 4.3Å; I222-I287 HydrophobicContact CG2-CD1 4.1Å; I222-I303 HydrophobicContact CB-CG2 4.31Å; I222-I303 HydrophobicContact CG2-CB 4.04Å; I222-I303 HydrophobicContact CG2-CD1 4.21Å; I222-I303 HydrophobicContact CG2-CG2 3.79Å; I222-L305 HydrophobicContact CD1-CD1 4.42Å
223	I	97.1	Very high	92.1	Very high	15 Å²	15	63.9 Å²	63.9	8%	0.077	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	112.8	179.6	-60.4	167.8	0	0	0	107	K232 E302 I303 H304 L305	I223-K232 HydrophobicContact CD1-CD 4.38Å; I223-K232 HydrophobicContact CG1-CB 4.11Å; I223-K232 HydrophobicContact CG1-CD 4.16Å; I223-K232 HydrophobicContact CG1-CG 3.91Å; I223-E302 HydrophobicContact CD1-CB 4.2Å; I223-E302 HydrophobicContact CD1-CG 4.49Å; I223-E302 WeakPolarHBondContact CD1-OE2 3.46Å; I223-I303 PolarHBondContact N-O 3.43Å; I223-H304 WeakPolarHBondContact CD1-CE1 3.49Å; I223-H304 WeakPolarHBondContact O-CA 3.33Å; I223-L305 PolarHBondContact O-N 3.31Å
224	I	96	Very high	92.4	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.1	179.5	-60.6	176.5	0	0	0	108.7	I222 S230 Q231 I233 I244 F248 L272 L305 L307	I222-I224 HydrophobicContact CD1-CD1 4.28Å; I222-I224 HydrophobicContact CD1-CG1 4.46Å; I224-S230 CarbonylContact O-C 3.5Å; I224-S230 VanDerWaalsContact O-CA 3.26Å; I224-S230 WeakPolarHBondContact O-CA 3.33Å; I224-Q231 PolarHBondContact N-O 3.34Å; I224-Q231 PolarHBondContact O-N 2.98Å; I224-I233 HydrophobicContact CD1-CD1 3.65Å; I224-I233 HydrophobicContact CD1-CG1 4.38Å; I224-I233 HydrophobicContact CG1-CD1 4.48Å; I224-I244 HydrophobicContact CD1-CG2 4.33Å; I224-F248 HydrophobicContact CB-CD2 4.35Å; I224-F248 HydrophobicContact CB-CE2 3.87Å; I224-F248 HydrophobicContact CB-CZ 4.28Å; I224-F248 HydrophobicContact CD1-CB 4.34Å; I224-F248 HydrophobicContact CD1-CD2 3.71Å; I224-F248 HydrophobicContact CD1-CE2 4.13Å; I224-F248 HydrophobicContact CD1-CG 4.04Å; I224-F248 HydrophobicContact CG2-CE1 4.42Å; I224-F248 HydrophobicContact CG2-CE2 4.01Å; I224-F248 HydrophobicContact CG2-CZ 3.91Å; I224-L272 HydrophobicContact CD1-CD2 3.9Å; I224-L272 HydrophobicContact CG1-CD2 4.18Å; I224-L272 HydrophobicContact CG2-CD2 4.33Å; I224-L305 CarbonylContact C-O 3.5Å; I224-L305 VanDerWaalsContact CA-O 3.3Å; I224-L305 WeakPolarHBondContact CA-O 3.26Å; I224-L307 HydrophobicContact CG2-CB 4Å
225	H	94.3	Very high	92.7	Very high	29 Å²	29	56.3 Å²	56.3	13%	0.134	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	145.6	179.8	-61.4	-94.5	0	0	0	111.3	T229 S230 C275 H304 L305 V306 L307	H225-T229 CarbonylContact C-O 3.59Å; H225-T229 WeakPolarHBondContact CA-O 3.37Å; H225-S230 WeakPolarHBondContact ND1-CB 3.43Å; H225-C275 VanDerWaalsContact CD2-SG 3.51Å; H225-H304 AromaticContact CE1-ND1 3.92Å; H225-H304 AromaticContact NE2-CG 3.75Å; H225-H304 AromaticContact NE2-ND1 3.11Å; H225-H304 PolarHBondContact NE2-ND1 3.3Å; H225-H304 VanDerWaalsContact NE2-ND1 3.11Å; H225-L305 PolarHBondContact CD2-O 2.99Å; H225-L305 PolarHBondContact N-O 3.05Å; H225-V306 WeakPolarHBondContact O-CA 3.17Å; H225-L307 PolarHBondContact O-N 3.16Å
226	R	89.9	Confident	93	Very high	50 Å²	50	56.8 Å²	56.8	19%	0.189	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	119.5	167.4	-177.2	66.8	-179.2	-173.9	-0.7	108.6	T228 T229 M259 L307	R226-T228 PolarHBondContact O-N 3.49Å; R226-T229 PolarHBondContact N-O 3.43Å; R226-T229 PolarHBondContact O-N 3.21Å; R226-M259 HydrophobicContact CB-CB 4.49Å; R226-M259 WeakPolarHBondContact CG-O 3.18Å; R226-L307 VanDerWaalsContact CD-O 3.22Å; R226-L307 WeakPolarHBondContact CD-O 3.25Å; R226-L307 PolarHBondContact NH1-O 3.03Å
227	G	82	Confident	93.3	Very high	75 Å²	75	52.1 Å²	52.1	77%	0.773	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	-125.3	-169	0	0	0	0	0	110.7
228	T	82.5	Confident	93.6	Very high	149 Å²	149	49 Å²	49	91%	0.914	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-2.6	176.7	53.2	0	0	0	0	113.9	R226	R226-T228 PolarHBondContact O-N 3.49Å
229	T	88.1	Confident	93.8	Very high	51 Å²	51	47.6 Å²	47.6	31%	0.313	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140.8	-173.3	-56.5	0	0	0	0	110.1	H225 R226 L258 M259	H225-T229 CarbonylContact C-O 3.59Å; H225-T229 WeakPolarHBondContact CA-O 3.37Å; R226-T229 PolarHBondContact N-O 3.43Å; R226-T229 PolarHBondContact O-N 3.21Å; T229-L258 PolarHBondContact OG1-O 3.35Å; T229-M259 HydrophobicContact CG2-CE 3.69Å; T229-M259 HydrophobicContact CG2-CG 3.8Å
230	S	91.8	Very high	93.8	Very high	61 Å²	61	46.3 Å²	46.3	43%	0.427	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	154.2	179.3	71.4	0	0	0	0	111.9	I224 H225	I224-S230 CarbonylContact O-C 3.5Å; I224-S230 VanDerWaalsContact O-CA 3.26Å; I224-S230 WeakPolarHBondContact O-CA 3.33Å; H225-S230 WeakPolarHBondContact ND1-CB 3.43Å
231	Q	92.3	Very high	93.9	Very high	51 Å²	51	46 Å²	46	24%	0.238	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	123.6	178.2	178.2	64.6	62.3	0	0	110.3	I224 I233 F248 M252 M259	I224-Q231 PolarHBondContact N-O 3.34Å; I224-Q231 PolarHBondContact O-N 2.98Å; Q231-I233 HydrophobicContact CG-CG2 4.01Å; Q231-F248 HydrophobicContact CB-CE2 4.1Å; Q231-F248 HydrophobicContact CG-CE2 4.37Å; Q231-M252 HydrophobicContact CB-CE 4.27Å; Q231-M252 HydrophobicContact CG-CE 4.36Å; Q231-M252 HydrophobicContact CG-SD 4.12Å; Q231-M259 HydrophobicContact CB-CE 3.72Å
232	K	95.2	Very high	93.8	Very high	97 Å²	97	44 Å²	44	42%	0.422	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.5	171.3	-166.2	163.7	-173.4	161.7	0	109.6	F221 I222 I223 E302	F221-K232 HydrophobicContact CB-CG 4.43Å; F221-K232 HydrophobicContact CD1-CG 4.33Å; I222-K232 WeakPolarHBondContact O-CA 3.43Å; I223-K232 HydrophobicContact CD1-CD 4.38Å; I223-K232 HydrophobicContact CG1-CB 4.11Å; I223-K232 HydrophobicContact CG1-CD 4.16Å; I223-K232 HydrophobicContact CG1-CG 3.91Å; K232-E302 IonicContact NZ-OE1 3.9Å; K232-E302 PolarHBondContact NZ-OE1 3.36Å
233	I	94.7	Very high	93.7	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.036	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.6	175.6	62.3	170.1	0	0	0	110.2	F221 I222 I224 Q231 V235 I244 F248 K251	F221-I233 WeakPolarHBondContact CA-O 3.47Å; I222-I233 HydrophobicContact CD1-CD1 3.83Å; I222-I233 HydrophobicContact CD1-CG1 3.95Å; I222-I233 HydrophobicContact CG1-CD1 3.89Å; I222-I233 HydrophobicContact CG1-CG1 3.41Å; I222-I233 VanDerWaalsContact CG1-CG1 3.41Å; I222-I233 PolarHBondContact N-O 2.96Å; I222-I233 PolarHBondContact O-N 3.48Å; I224-I233 HydrophobicContact CD1-CD1 3.65Å; I224-I233 HydrophobicContact CD1-CG1 4.38Å; I224-I233 HydrophobicContact CG1-CD1 4.48Å; Q231-I233 HydrophobicContact CG-CG2 4.01Å; I233-V235 HydrophobicContact CD1-CG1 3.81Å; I233-V235 HydrophobicContact CG1-CG1 4.05Å; I233-I244 HydrophobicContact CD1-CG2 4.06Å; I233-F248 HydrophobicContact CD1-CB 4.36Å; I233-F248 HydrophobicContact CD1-CD2 4.24Å; I233-F248 HydrophobicContact CG2-CD2 4.25Å; I233-K251 HydrophobicContact CG2-CD 4.32Å
234	K	95.8	Very high	93.7	Very high	112 Å²	112	47.8 Å²	47.8	49%	0.487	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.7	175	-177.3	-179.2	173.8	-175.5	0	107	N219 F221	N219-K234 HydrophobicContact CB-CD 4.27Å; N219-K234 HydrophobicContact CB-CG 3.95Å; N219-K234 VanDerWaalsContact ND2-CE 3.34Å; N219-K234 WeakPolarHBondContact ND2-CE 3.38Å; F221-K234 HydrophobicContact CD1-CB 3.98Å; F221-K234 HydrophobicContact CD1-CG 4.41Å; F221-K234 HydrophobicContact CE1-CB 3.76Å; F221-K234 HydrophobicContact CE1-CD 4.22Å; F221-K234 HydrophobicContact CE1-CG 4.04Å; F221-K234 HydrophobicContact CZ-CD 4.26Å; F221-K234 HydrophobicContact CZ-CG 4.39Å
235	V	96.4	Very high	93.7	Very high	4 Å²	4	48 Å²	48	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.7	-176.4	-61.5	0	0	0	0	110.1	N219 I220 I222 I233 I244	N219-V235 VanDerWaalsContact CA-O 3.22Å; N219-V235 WeakPolarHBondContact CA-O 3.45Å; N219-V235 WeakPolarHBondContact CB-O 3.44Å; N219-V235 PolarHBondContact OD1-O 2.85Å; I220-V235 HydrophobicContact CD1-CG2 4.36Å; I220-V235 HydrophobicContact CG1-CG2 3.71Å; I220-V235 PolarHBondContact N-O 3.49Å; I220-V235 PolarHBondContact O-N 2.73Å; I222-V235 HydrophobicContact CD1-CG1 3.85Å; I222-V235 HydrophobicContact CD1-CG2 4.01Å; I222-V235 HydrophobicContact CG1-CG1 4.16Å; I222-V235 HydrophobicContact CG1-CG2 4.17Å; I222-V235 HydrophobicContact CG2-CG2 4.19Å; I233-V235 HydrophobicContact CD1-CG1 3.81Å; I233-V235 HydrophobicContact CG1-CG1 4.05Å; V235-I244 HydrophobicContact CB-CD1 4.44Å; V235-I244 HydrophobicContact CB-CG1 4.31Å; V235-I244 HydrophobicContact CG1-CD1 4.48Å; V235-I244 HydrophobicContact CG1-CG1 4.08Å; V235-I244 HydrophobicContact CG1-CG2 4.23Å; V235-I244 HydrophobicContact CG2-CD1 4.35Å
236	S	97.2	Very high	93.6	Very high	28 Å²	28	51.4 Å²	51.4	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	145.2	169.9	-174.6	0	0	0	0	108.8	N219 D238 D239	N219-S236 PolarHBondContact OD1-N 3.38Å; S236-D238 PolarHBondContact O-N 3.15Å; S236-D238 PolarHBondContact OG-N 3.12Å; S236-D239 VanDerWaalsContact CB-CG 3.49Å; S236-D239 WeakPolarHBondContact CB-OD1 3.34Å; S236-D239 WeakPolarHBondContact CB-OD2 3.38Å; S236-D239 PolarHBondContact N-OD2 3.47Å; S236-D239 WeakPolarHBondContact O-CB 3.05Å; S236-D239 PolarHBondContact O-N 2.96Å
237	I	96.1	Very high	93.7	Very high	2 Å²	2	52 Å²	52	1%	0.01	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.9	176	65.6	168.3	0	0	0	112.9	L207 I215 N218 I220 I287 K288	L207-I237 HydrophobicContact CD1-CD1 4.13Å; I215-I237 HydrophobicContact CD1-CD1 4.04Å; I215-I237 HydrophobicContact CD1-CG2 4.16Å; I215-I237 HydrophobicContact CG1-CG2 4.48Å; I215-I237 HydrophobicContact CG2-CD1 4.4Å; I215-I237 HydrophobicContact CG2-CG2 3.78Å; N218-I237 PolarHBondContact O-N 3.39Å; N218-I237 VanDerWaalsContact O-N 3.08Å; N218-I237 WeakPolarHBondContact OD1-CD1 3.45Å; N218-I237 VanDerWaalsContact OD1-CG1 3.28Å; N218-I237 WeakPolarHBondContact OD1-CG1 3.42Å; I220-I237 HydrophobicContact CB-CG2 4.4Å; I220-I237 HydrophobicContact CG1-CG2 4.18Å; I220-I237 HydrophobicContact CG2-CG2 3.65Å; I237-I287 WeakPolarHBondContact O-CG2 3.49Å; I237-K288 HydrophobicContact CB-CB 4.06Å; I237-K288 HydrophobicContact CB-CD 4.28Å; I237-K288 HydrophobicContact CD1-CD 3.97Å; I237-K288 HydrophobicContact CG1-CD 4.1Å; I237-K288 WeakPolarHBondContact O-CB 3.34Å; I237-K288 WeakPolarHBondContact O-CG 3.39Å; I237-K288 PolarHBondContact O-N 3.31Å
238	D	96.6	Very high	94.2	Very high	67 Å²	67	48.5 Å²	48.5	36%	0.358	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.3	178.3	-57.6	-59.8	0	0	0	113	N218 S236 K288	N218-D238 PolarHBondContact ND2-OD2 2.98Å; S236-D238 PolarHBondContact O-N 3.15Å; S236-D238 PolarHBondContact OG-N 3.12Å; D238-K288 IonicContact OD1-NZ 3.62Å; D238-K288 PolarHBondContact OD1-NZ 3.22Å
239	D	97.7	Very high	94.6	Very high	34 Å²	34	41.9 Å²	41.9	18%	0.182	22%	0.221	C	C	.	.			trans	-68.3	138.4	176.9	-68.6	-25	0	0	0	110	S236 M243 I244 I287	S236-D239 VanDerWaalsContact CB-CG 3.49Å; S236-D239 WeakPolarHBondContact CB-OD1 3.34Å; S236-D239 WeakPolarHBondContact CB-OD2 3.38Å; S236-D239 PolarHBondContact N-OD2 3.47Å; S236-D239 WeakPolarHBondContact O-CB 3.05Å; S236-D239 PolarHBondContact O-N 2.96Å; D239-M243 HydrophobicContact CB-CB 4.33Å; D239-M243 HydrophobicContact CB-CE 4.49Å; D239-M243 WeakPolarHBondContact OD1-CE 3.37Å; D239-I244 HydrophobicContact CB-CD1 4.23Å; D239-I244 HydrophobicContact CB-CG1 3.78Å; D239-I287 PolarHBondContact O-N 3.44Å
240	T	97.6	Very high	94.7	Very high	17 Å²	17	43.9 Å²	43.9	10%	0.104	23%	0.233	C	C	.	.			trans	-79.5	157.9	169.6	65.9	0	0	0	0	110.6	D242 M243 I244	T240-D242 PolarHBondContact O-N 3.21Å; T240-M243 HydrophobicContact CG2-SD 4.34Å; T240-M243 WeakPolarHBondContact O-CB 3.18Å; T240-M243 PolarHBondContact O-N 3.24Å; T240-M243 WeakPolarHBondContact OG1-CG 3.3Å; T240-M243 PolarHBondContact OG1-N 3.06Å; T240-I244 WeakPolarHBondContact O-CG1 3.47Å; T240-I244 PolarHBondContact O-N 3.09Å
241	P	96.8	Very high	94.4	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-47.9	-41.5	174.2	-29	31.8	0	0	0	113.9	I244 L245 I281 G283 T285 F290	P241-I244 WeakPolarHBondContact O-CB 3.48Å; P241-I244 PolarHBondContact O-N 2.87Å; P241-L245 WeakPolarHBondContact O-CG 3.19Å; P241-L245 PolarHBondContact O-N 2.79Å; P241-I281 HydrophobicContact CB-CG2 4.37Å; P241-I281 WeakPolarHBondContact CB-O 3.48Å; P241-I281 HydrophobicContact CG-CG2 3.85Å; P241-G283 WeakPolarHBondContact CD-O 3.26Å; P241-T285 WeakPolarHBondContact CD-O 3.43Å; P241-F290 HydrophobicContact CG-CE2 4.08Å; P241-F290 HydrophobicContact CG-CZ 3.93Å
242	D	94.7	Very high	94	Very high	72 Å²	72	45.1 Å²	45.1	39%	0.385	23%	0.23	S	C	.	.	H	α-helix	trans	-69.5	-38.3	-179.7	-66.3	-17.3	0	0	0	112.2	T240 I244 L245 H246	T240-D242 PolarHBondContact O-N 3.21Å; D242-I244 VanDerWaalsContact C-N 3.3Å; D242-I244 PolarHBondContact O-N 3.06Å; D242-L245 PolarHBondContact O-N 3Å; D242-H246 WeakPolarHBondContact O-CB 3.47Å; D242-H246 PolarHBondContact O-N 2.72Å
243	M	96	Very high	93.3	Very high	96 Å²	96	43.4 Å²	43.4	47%	0.473	23%	0.234	S	C	.	.	H	α-helix	trans	-63	-39.3	172.1	-68.1	170.6	63.7	0	0	111.5	D239 T240 H246 S247	D239-M243 HydrophobicContact CB-CB 4.33Å; D239-M243 HydrophobicContact CB-CE 4.49Å; D239-M243 WeakPolarHBondContact OD1-CE 3.37Å; T240-M243 HydrophobicContact CG2-SD 4.34Å; T240-M243 WeakPolarHBondContact O-CB 3.18Å; T240-M243 PolarHBondContact O-N 3.24Å; T240-M243 WeakPolarHBondContact OG1-CG 3.3Å; T240-M243 PolarHBondContact OG1-N 3.06Å; M243-H246 PolarHBondContact O-N 2.92Å; M243-S247 VanDerWaalsContact O-CB 3.28Å; M243-S247 WeakPolarHBondContact O-CB 3.21Å; M243-S247 PolarHBondContact O-N 3Å
244	I	96.4	Very high	92.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-46.4	177	-67.4	173	0	0	0	110.4	I222 I224 I233 V235 D239 T240 P241 D242 S247 F248 L272 I287	I222-I244 HydrophobicContact CD1-CD1 4.3Å; I222-I244 HydrophobicContact CD1-CG2 3.55Å; I224-I244 HydrophobicContact CD1-CG2 4.33Å; I233-I244 HydrophobicContact CD1-CG2 4.06Å; V235-I244 HydrophobicContact CB-CD1 4.44Å; V235-I244 HydrophobicContact CB-CG1 4.31Å; V235-I244 HydrophobicContact CG1-CD1 4.48Å; V235-I244 HydrophobicContact CG1-CG1 4.08Å; V235-I244 HydrophobicContact CG1-CG2 4.23Å; V235-I244 HydrophobicContact CG2-CD1 4.35Å; D239-I244 HydrophobicContact CB-CD1 4.23Å; D239-I244 HydrophobicContact CB-CG1 3.78Å; T240-I244 WeakPolarHBondContact O-CG1 3.47Å; T240-I244 PolarHBondContact O-N 3.09Å; P241-I244 WeakPolarHBondContact O-CB 3.48Å; P241-I244 PolarHBondContact O-N 2.87Å; D242-I244 VanDerWaalsContact C-N 3.3Å; D242-I244 PolarHBondContact O-N 3.06Å; I244-S247 PolarHBondContact O-N 3.19Å; I244-F248 VanDerWaalsContact O-CB 3.27Å; I244-F248 WeakPolarHBondContact O-CB 3.45Å; I244-F248 PolarHBondContact O-N 3.42Å; I244-L272 HydrophobicContact CB-CD1 4.47Å; I244-L272 HydrophobicContact CG2-CD1 3.99Å; I244-I287 HydrophobicContact CD1-CB 3.94Å; I244-I287 HydrophobicContact CD1-CD1 3.4Å; I244-I287 HydrophobicContact CD1-CG1 4.22Å; I244-I287 HydrophobicContact CD1-CG2 4.25Å
245	L	95.1	Very high	91.5	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-60.4	-49	175.9	-73.7	172.9	0	0	0	111	P241 D242 S247 F248 F249 E267 L272 L307	P241-L245 WeakPolarHBondContact O-CG 3.19Å; P241-L245 PolarHBondContact O-N 2.79Å; D242-L245 PolarHBondContact O-N 3Å; L245-S247 VanDerWaalsContact C-N 3.35Å; L245-S247 PolarHBondContact O-N 2.92Å; L245-F248 WeakPolarHBondContact O-CB 3.33Å; L245-F248 PolarHBondContact O-N 3.3Å; L245-F248 VanDerWaalsContact O-N 3.14Å; L245-F249 WeakPolarHBondContact O-CD2 3.44Å; L245-F249 PolarHBondContact O-N 2.77Å; L245-E267 HydrophobicContact CB-CB 4.19Å; L245-L272 HydrophobicContact CD2-CD1 4.41Å; L245-L272 HydrophobicContact CD2-CD2 3.93Å; L245-L272 HydrophobicContact CD2-CG 3.9Å; L245-L272 HydrophobicContact CG-CD1 4.35Å; L245-L272 HydrophobicContact CG-CG 4.22Å; L245-L307 HydrophobicContact CD2-CD1 3.37Å
246	H	93.5	Very high	90.7	Very high	101 Å²	101	54.5 Å²	54.5	47%	0.468	28%	0.282	S	S	.	.	H	α-helix	trans	-58.2	-45.1	177.7	-176.9	71	0	0	0	112.6	D242 M243 F249 T250 E267	D242-H246 WeakPolarHBondContact O-CB 3.47Å; D242-H246 PolarHBondContact O-N 2.72Å; M243-H246 PolarHBondContact O-N 2.92Å; H246-F249 PolarHBondContact O-N 3.35Å; H246-T250 WeakPolarHBondContact O-CB 3.38Å; H246-T250 PolarHBondContact O-N 3.16Å; H246-T250 PolarHBondContact O-OG1 3.39Å; H246-E267 IonicContact CE1-OE1 2.74Å; H246-E267 IonicContact CG-OE1 3.56Å; H246-E267 IonicContact ND1-OE1 2.66Å; H246-E267 PolarHBondContact ND1-OE1 3.2Å
247	S	92.4	Very high	89.6	Confident	62 Å²	62	58 Å²	58	43%	0.434	31%	0.306	S	S	.	.	H	α-helix	trans	-62.3	-42.5	175.4	-178.8	0	0	0	0	112	M243 I244 L245 T250 K251	M243-S247 VanDerWaalsContact O-CB 3.28Å; M243-S247 WeakPolarHBondContact O-CB 3.21Å; M243-S247 PolarHBondContact O-N 3Å; I244-S247 PolarHBondContact O-N 3.19Å; L245-S247 VanDerWaalsContact C-N 3.35Å; L245-S247 PolarHBondContact O-N 2.92Å; S247-T250 PolarHBondContact O-N 3.43Å; S247-K251 WeakPolarHBondContact O-CB 3.44Å; S247-K251 PolarHBondContact O-N 2.93Å
248	F	92.4	Very high	88.6	Confident	1 Å²	1	63.5 Å²	63.5	0%	0.004	34%	0.335	C	S	.	.	H	α-helix	trans	-61.6	-49.4	176.6	178	-98.4	0	0	0	111.8	I224 Q231 I233 I244 L245 T250 K251 M252 M259 L307	I224-F248 HydrophobicContact CB-CD2 4.35Å; I224-F248 HydrophobicContact CB-CE2 3.87Å; I224-F248 HydrophobicContact CB-CZ 4.28Å; I224-F248 HydrophobicContact CD1-CB 4.34Å; I224-F248 HydrophobicContact CD1-CD2 3.71Å; I224-F248 HydrophobicContact CD1-CE2 4.13Å; I224-F248 HydrophobicContact CD1-CG 4.04Å; I224-F248 HydrophobicContact CG2-CE1 4.42Å; I224-F248 HydrophobicContact CG2-CE2 4.01Å; I224-F248 HydrophobicContact CG2-CZ 3.91Å; Q231-F248 HydrophobicContact CB-CE2 4.1Å; Q231-F248 HydrophobicContact CG-CE2 4.37Å; I233-F248 HydrophobicContact CD1-CB 4.36Å; I233-F248 HydrophobicContact CD1-CD2 4.24Å; I233-F248 HydrophobicContact CG2-CD2 4.25Å; I244-F248 VanDerWaalsContact O-CB 3.27Å; I244-F248 WeakPolarHBondContact O-CB 3.45Å; I244-F248 PolarHBondContact O-N 3.42Å; L245-F248 WeakPolarHBondContact O-CB 3.33Å; L245-F248 PolarHBondContact O-N 3.3Å; L245-F248 VanDerWaalsContact O-N 3.14Å; F248-T250 PolarHBondContact O-N 2.88Å; F248-K251 PolarHBondContact O-N 3.4Å; F248-M252 HydrophobicContact CD1-CG 4.48Å; F248-M252 HydrophobicContact CD2-CG 4.22Å; F248-M252 HydrophobicContact CE1-CG 4.23Å; F248-M252 HydrophobicContact CE2-CG 3.98Å; F248-M252 HydrophobicContact CG-CG 4.49Å; F248-M252 HydrophobicContact CZ-CG 4Å; F248-M252 VanDerWaalsContact O-CB 3.32Å; F248-M252 WeakPolarHBondContact O-CB 3.38Å; F248-M252 VanDerWaalsContact O-CG 3.27Å; F248-M252 WeakPolarHBondContact O-CG 3.33Å; F248-M252 PolarHBondContact O-N 3.22Å; F248-M259 HydrophobicContact CE1-SD 4.31Å; F248-M259 HydrophobicContact CZ-CE 4.13Å; F248-M259 HydrophobicContact CZ-SD 3.63Å; F248-L307 HydrophobicContact CE1-CD2 4.05Å
249	F	91	Very high	87.6	Confident	10 Å²	10	60.5 Å²	60.5	4%	0.044	32%	0.319	C	S	.	.	H	α-helix	trans	-64.8	-38.9	179	-88.8	-100.5	0	0	0	112.3	L245 H246 K251 M252 A253 I261 E267 F270 L307	L245-F249 WeakPolarHBondContact O-CD2 3.44Å; L245-F249 PolarHBondContact O-N 2.77Å; H246-F249 PolarHBondContact O-N 3.35Å; F249-K251 VanDerWaalsContact C-N 3.32Å; F249-K251 PolarHBondContact O-N 3.05Å; F249-M252 CarbonylContact O-C 3.33Å; F249-M252 PolarHBondContact O-N 2.93Å; F249-A253 WeakPolarHBondContact O-CA 3.46Å; F249-A253 PolarHBondContact O-N 2.79Å; F249-I261 HydrophobicContact CE1-CD1 4.37Å; F249-I261 HydrophobicContact CE1-CG2 4.06Å; F249-I261 HydrophobicContact CZ-CD1 4.22Å; F249-I261 HydrophobicContact CZ-CG2 4.42Å; F249-E267 HydrophobicContact CB-CB 4.42Å; F249-E267 HydrophobicContact CD2-CB 3.75Å; F249-E267 HydrophobicContact CE2-CB 4.15Å; F249-E267 HydrophobicContact CG-CB 4.02Å; F249-F270 HydrophobicContact CE1-CD2 4.46Å; F249-F270 HydrophobicContact CE1-CE2 4.36Å; F249-F270 HydrophobicContact CE2-CD2 4.23Å; F249-F270 AromaticContact CZ-CD2 3.54Å; F249-F270 HydrophobicContact CZ-CD2 3.54Å; F249-F270 AromaticContact CZ-CE2 3.77Å; F249-F270 HydrophobicContact CZ-CE2 3.77Å; F249-F270 HydrophobicContact CZ-CG 4.41Å; F249-L307 HydrophobicContact CE2-CD1 4.41Å; F249-L307 HydrophobicContact CE2-CD2 4.1Å; F249-L307 HydrophobicContact CZ-CD2 4.17Å
250	T	88.8	Confident	86.7	Confident	93 Å²	93	65.3 Å²	65.3	57%	0.571	35%	0.345	S	S	*	.	H	α-helix	trans	-60.5	-42.9	174.2	-59.9	0	0	0	0	111.3	H246 S247 F248	H246-T250 WeakPolarHBondContact O-CB 3.38Å; H246-T250 PolarHBondContact O-N 3.16Å; H246-T250 PolarHBondContact O-OG1 3.39Å; S247-T250 PolarHBondContact O-N 3.43Å; F248-T250 PolarHBondContact O-N 2.88Å
251	K	86.1	Confident	86	Confident	129 Å²	129	64.8 Å²	64.8	56%	0.561	34%	0.341	S	S	*	.	H	α-helix	trans	-70.8	-32.1	177.8	-167.8	176.2	-177.4	-179.1	0	112.8	I233 S247 F248 F249	I233-K251 HydrophobicContact CG2-CD 4.32Å; S247-K251 WeakPolarHBondContact O-CB 3.44Å; S247-K251 PolarHBondContact O-N 2.93Å; F248-K251 PolarHBondContact O-N 3.4Å; F249-K251 VanDerWaalsContact C-N 3.32Å; F249-K251 PolarHBondContact O-N 3.05Å
252	M	84.3	Confident	85.3	Confident	10 Å²	10	67.3 Å²	67.3	5%	0.049	36%	0.358	C	S	.	.	H	α-helix	trans	-98.6	4.6	-175.3	-63	-60.7	-86.5	0	0	114	Q231 F248 F249 K254 K255 K256 M259	Q231-M252 HydrophobicContact CB-CE 4.27Å; Q231-M252 HydrophobicContact CG-CE 4.36Å; Q231-M252 HydrophobicContact CG-SD 4.12Å; F248-M252 HydrophobicContact CD1-CG 4.48Å; F248-M252 HydrophobicContact CD2-CG 4.22Å; F248-M252 HydrophobicContact CE1-CG 4.23Å; F248-M252 HydrophobicContact CE2-CG 3.98Å; F248-M252 HydrophobicContact CG-CG 4.49Å; F248-M252 HydrophobicContact CZ-CG 4Å; F248-M252 VanDerWaalsContact O-CB 3.32Å; F248-M252 WeakPolarHBondContact O-CB 3.38Å; F248-M252 VanDerWaalsContact O-CG 3.27Å; F248-M252 WeakPolarHBondContact O-CG 3.33Å; F248-M252 PolarHBondContact O-N 3.22Å; F249-M252 CarbonylContact O-C 3.33Å; F249-M252 PolarHBondContact O-N 2.93Å; M252-K254 PolarHBondContact O-N 2.88Å; M252-K255 HydrophobicContact CE-CB 4.22Å; M252-K255 HydrophobicContact CE-CD 4.4Å; M252-K255 CarbonylContact O-C 3.52Å; M252-K255 WeakPolarHBondContact O-CA 3.49Å; M252-K255 PolarHBondContact O-N 2.9Å; M252-K255 HydrophobicContact SD-CB 4.46Å; M252-K255 HydrophobicContact SD-CD 4.26Å; M252-K256 PolarHBondContact O-N 2.96Å; M252-K256 VanDerWaalsContact O-N 3.12Å; M252-M259 HydrophobicContact CE-CE 3.32Å; M252-M259 HydrophobicContact CE-CG 3.99Å; M252-M259 HydrophobicContact CE-SD 3.3Å; M252-M259 WeakPolarHBondContact CE-SD 3.4Å
253	A	78.9	Confident	84.5	Confident	61 Å²	61	72.6 Å²	72.6	50%	0.504	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-52.4	-36.7	-175.6	0	0	0	0	0	114.1	F249 K255	F249-A253 WeakPolarHBondContact O-CA 3.46Å; F249-A253 PolarHBondContact O-N 2.79Å; A253-K255 VanDerWaalsContact C-N 3.35Å
254	K	77.1	Confident	83.9	Confident	205 Å²	205	74.3 Å²	74.3	89%	0.891	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-86.6	-1.3	177.8	-62.4	-176.5	-179.7	179.9	0	114.3	M252	M252-K254 PolarHBondContact O-N 2.88Å
255	K	76.9	Confident	83.2	Confident	103 Å²	103	77.3 Å²	77.3	45%	0.448	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-126.9	11.9	-173.8	-63	-173.4	178.3	-178.6	0	112.9	M252 A253 S257 L258 M259	M252-K255 HydrophobicContact CE-CB 4.22Å; M252-K255 HydrophobicContact CE-CD 4.4Å; M252-K255 CarbonylContact O-C 3.52Å; M252-K255 WeakPolarHBondContact O-CA 3.49Å; M252-K255 PolarHBondContact O-N 2.9Å; M252-K255 HydrophobicContact SD-CB 4.46Å; M252-K255 HydrophobicContact SD-CD 4.26Å; A253-K255 VanDerWaalsContact C-N 3.35Å; K255-S257 VanDerWaalsContact C-N 3.28Å; K255-S257 PolarHBondContact O-N 3.08Å; K255-L258 HydrophobicContact CB-CD1 4.08Å; K255-L258 HydrophobicContact CD-CD1 4.4Å; K255-L258 HydrophobicContact CG-CD1 4.04Å; K255-L258 WeakPolarHBondContact O-CB 3.31Å; K255-L258 PolarHBondContact O-N 3.45Å; K255-M259 PolarHBondContact O-N 2.97Å
256	K	78.7	Confident	82.8	Confident	47 Å²	47	78.8 Å²	78.8	20%	0.204	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-52.8	-45.6	179.3	-74.1	-168.2	173.5	-166	0	112.3	M252 L258 M259 D260 I261 H265	M252-K256 PolarHBondContact O-N 2.96Å; M252-K256 VanDerWaalsContact O-N 3.12Å; K256-L258 VanDerWaalsContact C-N 3.26Å; K256-L258 PolarHBondContact O-N 2.93Å; K256-M259 PolarHBondContact O-N 2.9Å; K256-D260 PolarHBondContact O-N 3.17Å; K256-I261 HydrophobicContact CB-CB 4.35Å; K256-I261 PolarHBondContact O-N 2.82Å; K256-H265 PolarHBondContact NZ-O 2.87Å
257	S	73.6	Confident	82.4	Confident	101 Å²	101	76.7 Å²	76.7	71%	0.706	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-62.3	-27.8	178.1	56.1	0	0	0	0	114.3	K255 M259	K255-S257 VanDerWaalsContact C-N 3.28Å; K255-S257 PolarHBondContact O-N 3.08Å; S257-M259 VanDerWaalsContact C-N 3.31Å
258	L	75.8	Confident	82.1	Confident	119 Å²	119	80.8 Å²	80.8	62%	0.623	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-75.4	-21.5	176.7	-70.8	164.7	0	0	0	112.7	T229 K255 K256	T229-L258 PolarHBondContact OG1-O 3.35Å; K255-L258 HydrophobicContact CB-CD1 4.08Å; K255-L258 HydrophobicContact CD-CD1 4.4Å; K255-L258 HydrophobicContact CG-CD1 4.04Å; K255-L258 WeakPolarHBondContact O-CB 3.31Å; K255-L258 PolarHBondContact O-N 3.45Å; K256-L258 VanDerWaalsContact C-N 3.26Å; K256-L258 PolarHBondContact O-N 2.93Å
259	M	74.9	Confident	82	Confident	3 Å²	3	84 Å²	84	2%	0.015	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-103.3	12.2	178.7	-76.7	-163.3	158.2	0	0	113.1	R226 T229 Q231 F248 M252 K255 K256 S257 I261	R226-M259 HydrophobicContact CB-CB 4.49Å; R226-M259 WeakPolarHBondContact CG-O 3.18Å; T229-M259 HydrophobicContact CG2-CE 3.69Å; T229-M259 HydrophobicContact CG2-CG 3.8Å; Q231-M259 HydrophobicContact CB-CE 3.72Å; F248-M259 HydrophobicContact CE1-SD 4.31Å; F248-M259 HydrophobicContact CZ-CE 4.13Å; F248-M259 HydrophobicContact CZ-SD 3.63Å; M252-M259 HydrophobicContact CE-CE 3.32Å; M252-M259 HydrophobicContact CE-CG 3.99Å; M252-M259 HydrophobicContact CE-SD 3.3Å; M252-M259 WeakPolarHBondContact CE-SD 3.4Å; K255-M259 PolarHBondContact O-N 2.97Å; K256-M259 PolarHBondContact O-N 2.9Å; S257-M259 VanDerWaalsContact C-N 3.31Å; M259-I261 HydrophobicContact CB-CD1 4.04Å; M259-I261 HydrophobicContact CB-CG1 4.05Å; M259-I261 PolarHBondContact O-N 2.87Å
260	D	79.9	Confident	82.1	Confident	135 Å²	135	84 Å²	84	72%	0.722	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	38.3	-179	-157.1	30.5	0	0	0	112.3	K256	K256-D260 PolarHBondContact O-N 3.17Å
261	I	83.1	Confident	82.5	Confident	7 Å²	7	79.8 Å²	79.8	4%	0.036	41%	0.414	C	S	.	.			trans	-99.2	119	173.6	-58.3	175.2	0	0	0	107.4	F249 K256 M259 F270 L307	F249-I261 HydrophobicContact CE1-CD1 4.37Å; F249-I261 HydrophobicContact CE1-CG2 4.06Å; F249-I261 HydrophobicContact CZ-CD1 4.22Å; F249-I261 HydrophobicContact CZ-CG2 4.42Å; K256-I261 HydrophobicContact CB-CB 4.35Å; K256-I261 PolarHBondContact O-N 2.82Å; M259-I261 HydrophobicContact CB-CD1 4.04Å; M259-I261 HydrophobicContact CB-CG1 4.05Å; M259-I261 PolarHBondContact O-N 2.87Å; I261-F270 HydrophobicContact CG2-CE2 4.08Å; I261-F270 HydrophobicContact CG2-CZ 4.07Å; I261-L307 HydrophobicContact CD1-CD2 3.87Å
262	P	82.5	Confident	83	Confident	53 Å²	53	73.7 Å²	73.7	34%	0.344	39%	0.387	S	S	.	.			trans	-58.5	147.9	177	-24.7	34.7	0	0	0	112.8	D264 H265	P262-D264 VanDerWaalsContact C-N 3.28Å; P262-D264 WeakPolarHBondContact CB-OD1 3.27Å; P262-D264 PolarHBondContact O-N 2.97Å; P262-H265 HydrophobicContact CB-CB 4.43Å; P262-H265 WeakPolarHBondContact CB-ND1 3.45Å; P262-H265 PolarHBondContact O-N 2.69Å
263	E	77.9	Confident	83.6	Confident	183 Å²	183	73.7 Å²	73.7	86%	0.855	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.6	-176.5	-71.2	-167.4	166.4	0	0	113.4	H265	E263-H265 VanDerWaalsContact C-N 3.33Å
264	D	82	Confident	84.5	Confident	132 Å²	132	71 Å²	71	71%	0.706	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-13	178.8	61.5	-24.7	0	0	0	113.7	P262	P262-D264 VanDerWaalsContact C-N 3.28Å; P262-D264 WeakPolarHBondContact CB-OD1 3.27Å; P262-D264 PolarHBondContact O-N 2.97Å
265	H	82.9	Confident	85.4	Confident	63 Å²	63	62 Å²	62	29%	0.292	33%	0.327	S	S	.	.			trans	-89.5	144.2	179.6	-70.3	53.3	0	0	0	112.5	K256 P262 E263 F270	K256-H265 PolarHBondContact NZ-O 2.87Å; P262-H265 HydrophobicContact CB-CB 4.43Å; P262-H265 WeakPolarHBondContact CB-ND1 3.45Å; P262-H265 PolarHBondContact O-N 2.69Å; E263-H265 VanDerWaalsContact C-N 3.33Å; H265-F270 HydrophobicContact CB-CE2 3.94Å; H265-F270 HydrophobicContact CB-CZ 4.32Å
266	S	85.6	Confident	86.3	Confident	36 Å²	36	57.5 Å²	57.5	25%	0.252	31%	0.309	S	S	.	.			trans	-115	176.2	-178.9	71.1	0	0	0	0	111.7	L268 D269 F270	S266-L268 PolarHBondContact O-N 2.95Å; S266-L268 PolarHBondContact OG-N 2.97Å; S266-D269 PolarHBondContact N-OD2 2.99Å; S266-D269 PolarHBondContact O-N 3.36Å; S266-D269 PolarHBondContact OG-OD2 2.96Å; S266-F270 VanDerWaalsContact O-CD2 3.26Å; S266-F270 WeakPolarHBondContact O-CD2 3.34Å
267	E	84.9	Confident	87.1	Confident	58 Å²	58	56.8 Å²	56.8	27%	0.271	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-59.2	-24.3	172.9	59	-94	-136.7	0	0	113.7	L245 H246 F249 D269	L245-E267 HydrophobicContact CB-CB 4.19Å; H246-E267 IonicContact CE1-OE1 2.74Å; H246-E267 IonicContact CG-OE1 3.56Å; H246-E267 IonicContact ND1-OE1 2.66Å; H246-E267 PolarHBondContact ND1-OE1 3.2Å; F249-E267 HydrophobicContact CB-CB 4.42Å; F249-E267 HydrophobicContact CD2-CB 3.75Å; F249-E267 HydrophobicContact CE2-CB 4.15Å; F249-E267 HydrophobicContact CG-CB 4.02Å; E267-D269 PolarHBondContact O-N 3.39Å
268	L	87	Confident	88.1	Confident	147 Å²	147	53.1 Å²	53.1	77%	0.77	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-74.4	-15.5	-177.7	-60.1	175.7	0	0	0	113.3	S266 F270	S266-L268 PolarHBondContact O-N 2.95Å; S266-L268 PolarHBondContact OG-N 2.97Å; L268-F270 VanDerWaalsContact C-N 3.34Å
269	D	90.4	Very high	89	Confident	70 Å²	70	48 Å²	48	37%	0.374	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-89.5	-3.5	-176.3	-56.9	-62.4	0	0	0	112.7	S266 E267 P310	S266-D269 PolarHBondContact N-OD2 2.99Å; S266-D269 PolarHBondContact O-N 3.36Å; S266-D269 PolarHBondContact OG-OD2 2.96Å; E267-D269 PolarHBondContact O-N 3.39Å; D269-P310 VanDerWaalsContact O-CD 3.23Å; D269-P310 WeakPolarHBondContact O-CD 3.45Å
270	F	93.4	Very high	90.1	Very high	10 Å²	10	49.2 Å²	49.2	4%	0.044	26%	0.255	C	S	.	.			trans	-125.4	160.1	-173.5	-63.7	-83.8	0	0	0	112.7	F249 I261 H265 S266 L268 L307 D308	F249-F270 HydrophobicContact CE1-CD2 4.46Å; F249-F270 HydrophobicContact CE1-CE2 4.36Å; F249-F270 HydrophobicContact CE2-CD2 4.23Å; F249-F270 AromaticContact CZ-CD2 3.54Å; F249-F270 HydrophobicContact CZ-CD2 3.54Å; F249-F270 AromaticContact CZ-CE2 3.77Å; F249-F270 HydrophobicContact CZ-CE2 3.77Å; F249-F270 HydrophobicContact CZ-CG 4.41Å; I261-F270 HydrophobicContact CG2-CE2 4.08Å; I261-F270 HydrophobicContact CG2-CZ 4.07Å; H265-F270 HydrophobicContact CB-CE2 3.94Å; H265-F270 HydrophobicContact CB-CZ 4.32Å; S266-F270 VanDerWaalsContact O-CD2 3.26Å; S266-F270 WeakPolarHBondContact O-CD2 3.34Å; L268-F270 VanDerWaalsContact C-N 3.34Å; F270-L307 HydrophobicContact CB-CD1 3.55Å; F270-L307 HydrophobicContact CB-CG 3.92Å; F270-L307 HydrophobicContact CD1-CD1 4.42Å; F270-L307 HydrophobicContact CD1-CD2 4.19Å; F270-L307 HydrophobicContact CD1-CG 3.82Å; F270-L307 HydrophobicContact CG-CD1 4.07Å; F270-L307 HydrophobicContact CG-CD2 4.21Å; F270-L307 HydrophobicContact CG-CG 3.92Å; F270-D308 CarbonylContact C-O 3.58Å; F270-D308 WeakPolarHBondContact CA-O 3.14Å
271	V	96.3	Very high	90.9	Very high	4 Å²	4	43 Å²	43	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.8	170.7	66.7	0	0	0	0	110.4	M198 Y280 D308 P310	M198-V271 HydrophobicContact SD-CB 4.32Å; M198-V271 HydrophobicContact SD-CG2 3.77Å; V271-Y280 HydrophobicContact CG1-CD1 3.78Å; V271-Y280 HydrophobicContact CG1-CE1 3.99Å; V271-Y280 HydrophobicContact CG2-CD1 4.08Å; V271-D308 PolarHBondContact N-O 3.18Å; V271-D308 PolarHBondContact O-N 3.28Å; V271-P310 HydrophobicContact CB-CG 4.16Å; V271-P310 HydrophobicContact CG1-CB 4.35Å; V271-P310 HydrophobicContact CG1-CG 4.23Å
272	L	97.7	Very high	91.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.1	169	-65.3	169.6	0	0	0	109.6	I224 I244 L245 I281 L305 L307	I224-L272 HydrophobicContact CD1-CD2 3.9Å; I224-L272 HydrophobicContact CG1-CD2 4.18Å; I224-L272 HydrophobicContact CG2-CD2 4.33Å; I244-L272 HydrophobicContact CB-CD1 4.47Å; I244-L272 HydrophobicContact CG2-CD1 3.99Å; L245-L272 HydrophobicContact CD2-CD1 4.41Å; L245-L272 HydrophobicContact CD2-CD2 3.93Å; L245-L272 HydrophobicContact CD2-CG 3.9Å; L245-L272 HydrophobicContact CG-CD1 4.35Å; L245-L272 HydrophobicContact CG-CG 4.22Å; L272-I281 HydrophobicContact CB-CB 4.03Å; L272-I281 PolarHBondContact O-N 2.99Å; L272-L305 HydrophobicContact CB-CD1 4.31Å; L272-L305 HydrophobicContact CD1-CD1 4.17Å; L272-L305 HydrophobicContact CD2-CB 4.34Å; L272-L305 HydrophobicContact CD2-CD1 4.4Å; L272-L307 HydrophobicContact CD2-CD1 4.39Å
273	R	97.3	Very high	91.9	Very high	11 Å²	11	41.9 Å²	41.9	4%	0.042	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	150.7	173.5	-171.5	178.4	62.4	80.3	-10.3	109.8	R277 E279 Y280 L305 V306 D308 D822 T824	R273-R277 WeakPolarHBondContact CG-O 3.13Å; R273-R277 PolarHBondContact NH1-O 2.92Å; R273-E279 WeakPolarHBondContact CA-O 3.22Å; R273-E279 VanDerWaalsContact CG-O 3.31Å; R273-E279 WeakPolarHBondContact CG-O 3.48Å; R273-Y280 HydrophobicContact CB-CD1 3.98Å; R273-Y280 HydrophobicContact CB-CE1 4.12Å; R273-Y280 HydrophobicContact CG-CD1 3.99Å; R273-Y280 HydrophobicContact CG-CE1 3.93Å; R273-Y280 HydrophobicContact CG-CG 4.39Å; R273-L305 CarbonylContact O-C 3.49Å; R273-L305 VanDerWaalsContact O-CA 3.26Å; R273-L305 WeakPolarHBondContact O-CA 3.43Å; R273-V306 HydrophobicContact CB-CG1 3.83Å; R273-V306 PolarHBondContact N-O 3.4Å; R273-V306 PolarHBondContact O-N 3.1Å; R273-D308 HydrophobicContact CB-CB 4.41Å; R273-D308 IonicContact CZ-OD2 3.61Å; R273-D308 IonicContact NE-OD2 2.93Å; R273-D308 PolarHBondContact NE-OD2 3.04Å; R273-D308 IonicContact NH2-OD2 3.84Å; R273-D308 PolarHBondContact NH2-OD2 3.41Å; R273-D822 IonicContact CZ-OD2 3.5Å; R273-D822 IonicContact NH1-OD2 3.01Å; R273-D822 PolarHBondContact NH1-OD2 2.81Å; R273-D822 IonicContact NH2-OD1 2.9Å; R273-D822 IonicContact NH2-OD2 3.21Å; R273-T824 PolarHBondContact NH2-OG1 3.11Å
274	I	97.3	Very high	92.6	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	136.4	177.9	-68.4	154.9	0	0	0	109.8	G276 R277 E279 I281 W292 L305	I274-G276 PolarHBondContact O-N 3.14Å; I274-R277 HydrophobicContact CB-CB 4.22Å; I274-R277 HydrophobicContact CG2-CB 4.02Å; I274-R277 HydrophobicContact CG2-CG 4.13Å; I274-R277 PolarHBondContact O-N 3.5Å; I274-E279 HydrophobicContact CB-CB 4.46Å; I274-E279 HydrophobicContact CD1-CB 3.54Å; I274-E279 HydrophobicContact CG1-CB 4.47Å; I274-E279 PolarHBondContact N-O 2.9Å; I274-I281 HydrophobicContact CD1-CD1 4.12Å; I274-I281 HydrophobicContact CD1-CG1 4.48Å; I274-I281 HydrophobicContact CG1-CD1 4.42Å; I274-I281 HydrophobicContact CG1-CG1 4.28Å; I274-W292 HydrophobicContact CD1-CB 3.4Å; I274-W292 VanDerWaalsContact CD1-CB 3.4Å; I274-W292 HydrophobicContact CD1-CD2 3.81Å; I274-W292 HydrophobicContact CD1-CG 3.26Å; I274-W292 HydrophobicContact CG1-CB 4.38Å; I274-W292 HydrophobicContact CG1-CD2 4.31Å; I274-W292 HydrophobicContact CG1-CG 3.82Å; I274-W292 HydrophobicContact CG2-CD2 3.86Å; I274-W292 HydrophobicContact CG2-CG 4.24Å; I274-W292 HydrophobicContact CG2-CH2 4.39Å; I274-W292 HydrophobicContact CG2-CZ2 3.67Å; I274-L305 HydrophobicContact CG1-CD2 3.91Å
275	C	96.3	Very high	93.3	Very high	18 Å²	18	35.8 Å²	35.8	12%	0.122	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	126.9	-180	-67.7	0	0	0	0	111.2	H225 R277 H304 L305 L826	H225-C275 VanDerWaalsContact CD2-SG 3.51Å; C275-R277 VanDerWaalsContact C-N 3.28Å; C275-R277 PolarHBondContact O-N 3.27Å; C275-H304 HydrophobicContact CB-CB 4.21Å; C275-H304 PolarHBondContact N-O 3.23Å; C275-H304 VanDerWaalsContact SG-C 3.59Å; C275-H304 PolarHBondContact SG-O 3.24Å; C275-L305 VanDerWaalsContact SG-C 3.54Å; C275-L826 HydrophobicContact CB-CD1 4.05Å; C275-L826 HydrophobicContact CB-CG 4.07Å
276	G	94.6	Very high	94	Very high	7 Å²	7	34.4 Å²	34.4	7%	0.072	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	8.4	178.8	0	0	0	0	0	115.3	I274 D822 T824	I274-G276 PolarHBondContact O-N 3.14Å; G276-D822 WeakPolarHBondContact CA-OD2 3.39Å; G276-D822 PolarHBondContact N-OD2 2.93Å; G276-T824 PolarHBondContact N-OG1 3.11Å
277	R	95.3	Very high	94.5	Very high	32 Å²	32	32.7 Å²	32.7	12%	0.121	17%	0.172	C	C	.	.	S	Bend	trans	-138	143.9	-177.3	-59	179.7	74.9	103.8	2	111.6	R273 I274 C275 E279 W292 D791 G793 L794 D822	R273-R277 WeakPolarHBondContact CG-O 3.13Å; R273-R277 PolarHBondContact NH1-O 2.92Å; I274-R277 HydrophobicContact CB-CB 4.22Å; I274-R277 HydrophobicContact CG2-CB 4.02Å; I274-R277 HydrophobicContact CG2-CG 4.13Å; I274-R277 PolarHBondContact O-N 3.5Å; C275-R277 VanDerWaalsContact C-N 3.28Å; C275-R277 PolarHBondContact O-N 3.27Å; R277-E279 HydrophobicContact CB-CB 4.41Å; R277-E279 HydrophobicContact CB-CG 4.48Å; R277-E279 IonicContact CZ-OE1 3.82Å; R277-E279 IonicContact NE-OE1 3.19Å; R277-E279 PolarHBondContact NE-OE1 3.42Å; R277-E279 IonicContact NE-OE2 3.84Å; R277-E279 IonicContact NH2-OE1 2.74Å; R277-E279 PolarHBondContact NH2-OE1 3.32Å; R277-E279 PolarHBondContact O-N 3.41Å; R277-W292 VanDerWaalsContact CD-CH2 3.45Å; R277-D791 IonicContact CZ-OD2 3.79Å; R277-D791 IonicContact NH1-OD2 3.2Å; R277-D791 IonicContact NH2-OD1 2.75Å; R277-D791 PolarHBondContact NH2-OD1 2.95Å; R277-D791 IonicContact NH2-OD2 2.68Å; R277-D791 PolarHBondContact NH2-OD2 3.08Å; R277-G793 CarbonylContact C-O 3.58Å; R277-G793 VanDerWaalsContact CA-O 3.31Å; R277-G793 WeakPolarHBondContact CA-O 3.47Å; R277-L794 HydrophobicContact CG-CD2 4.06Å; R277-D822 PolarHBondContact N-OD2 2.92Å
278	D	94.7	Very high	95.1	Very high	24 Å²	24	32.1 Å²	32.1	13%	0.128	17%	0.169	C	C	.	.	S	Bend	trans	-81.6	53.4	171.2	-71.2	-26.1	0	0	0	110.7	R787 G793 R795	D278-R787 IonicContact OD2-CZ 3.93Å; D278-R787 VanDerWaalsContact OD2-CZ 3.25Å; D278-R787 IonicContact OD2-NH1 3.3Å; D278-R787 PolarHBondContact OD2-NH1 2.94Å; D278-R787 IonicContact OD2-NH2 2.73Å; D278-R787 PolarHBondContact OD2-NH2 3.39Å; D278-R787 VanDerWaalsContact OD2-NH2 3.07Å; D278-G793 PolarHBondContact N-O 3.37Å; D278-R795 IonicContact OD2-NE 2.91Å; D278-R795 PolarHBondContact OD2-NE 2.93Å
279	E	95.8	Very high	95.5	Very high	11 Å²	11	26.3 Å²	26.3	5%	0.051	14%	0.138	C	C	.	.			trans	-127.5	128.8	179.4	-71.3	178.9	-147.5	0	0	110	R273 I274 R277 R693	R273-E279 WeakPolarHBondContact CA-O 3.22Å; R273-E279 VanDerWaalsContact CG-O 3.31Å; R273-E279 WeakPolarHBondContact CG-O 3.48Å; I274-E279 HydrophobicContact CB-CB 4.46Å; I274-E279 HydrophobicContact CD1-CB 3.54Å; I274-E279 HydrophobicContact CG1-CB 4.47Å; I274-E279 PolarHBondContact N-O 2.9Å; R277-E279 HydrophobicContact CB-CB 4.41Å; R277-E279 HydrophobicContact CB-CG 4.48Å; R277-E279 IonicContact CZ-OE1 3.82Å; R277-E279 IonicContact NE-OE1 3.19Å; R277-E279 PolarHBondContact NE-OE1 3.42Å; R277-E279 IonicContact NE-OE2 3.84Å; R277-E279 IonicContact NH2-OE1 2.74Å; R277-E279 PolarHBondContact NH2-OE1 3.32Å; R277-E279 PolarHBondContact O-N 3.41Å; E279-R693 IonicContact OE1-NH1 3.55Å
280	Y	97	Very high	95.9	Very high	30 Å²	30	23 Å²	23	12%	0.118	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	140.9	-169.4	-61.5	-97	0	0	0	111.7	M198 V271 R273 P311	M198-Y280 HydrophobicContact CB-CD1 4.46Å; M198-Y280 HydrophobicContact CB-CD2 4.04Å; M198-Y280 HydrophobicContact CB-CG 3.88Å; M198-Y280 HydrophobicContact CG-CD1 4.08Å; M198-Y280 HydrophobicContact CG-CD2 4.32Å; M198-Y280 HydrophobicContact CG-CE1 4.46Å; M198-Y280 HydrophobicContact CG-CG 3.99Å; M198-Y280 VanDerWaalsContact O-CD2 3.26Å; M198-Y280 WeakPolarHBondContact O-CD2 3.34Å; M198-Y280 HydrophobicContact SD-CD1 4.37Å; V271-Y280 HydrophobicContact CG1-CD1 3.78Å; V271-Y280 HydrophobicContact CG1-CE1 3.99Å; V271-Y280 HydrophobicContact CG2-CD1 4.08Å; R273-Y280 HydrophobicContact CB-CD1 3.98Å; R273-Y280 HydrophobicContact CB-CE1 4.12Å; R273-Y280 HydrophobicContact CG-CD1 3.99Å; R273-Y280 HydrophobicContact CG-CE1 3.93Å; R273-Y280 HydrophobicContact CG-CG 4.39Å; Y280-P311 HydrophobicContact CE1-CG 4.29Å
281	I	97.1	Very high	95.9	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.015	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	94	175.1	-54.8	-62	0	0	0	106.8	P241 L272 I274 F290 L305	P241-I281 HydrophobicContact CB-CG2 4.37Å; P241-I281 WeakPolarHBondContact CB-O 3.48Å; P241-I281 HydrophobicContact CG-CG2 3.85Å; L272-I281 HydrophobicContact CB-CB 4.03Å; L272-I281 PolarHBondContact O-N 2.99Å; I274-I281 HydrophobicContact CD1-CD1 4.12Å; I274-I281 HydrophobicContact CD1-CG1 4.48Å; I274-I281 HydrophobicContact CG1-CD1 4.42Å; I274-I281 HydrophobicContact CG1-CG1 4.28Å; I281-F290 HydrophobicContact CB-CE1 4.34Å; I281-F290 HydrophobicContact CD1-CB 3.82Å; I281-F290 HydrophobicContact CD1-CD1 3.37Å; I281-F290 HydrophobicContact CD1-CD2 4.46Å; I281-F290 HydrophobicContact CD1-CE1 4.02Å; I281-F290 HydrophobicContact CD1-CG 3.62Å; I281-F290 HydrophobicContact CG2-CD1 4.31Å; I281-F290 HydrophobicContact CG2-CD2 4.2Å; I281-F290 HydrophobicContact CG2-CE1 4.12Å; I281-F290 HydrophobicContact CG2-CE2 3.99Å; I281-F290 HydrophobicContact CG2-CG 4.35Å; I281-F290 HydrophobicContact CG2-CZ 3.94Å; I281-L305 HydrophobicContact CG1-CD2 4.05Å
282	T	95.1	Very high	95.9	Very high	20 Å²	20	25.9 Å²	25.9	12%	0.123	13%	0.132	C	C	.	.			trans	-151	165.7	-171.5	-169.6	0	0	0	0	111.4	M198 P200 F290	M198-T282 HydrophobicContact CB-CG2 4Å; M198-T282 HydrophobicContact CE-CG2 3.92Å; M198-T282 HydrophobicContact SD-CG2 3.98Å; P200-T282 HydrophobicContact CB-CG2 4.28Å; P200-T282 HydrophobicContact CG-CG2 4.33Å; T282-F290 WeakPolarHBondContact O-CZ 3.15Å
283	G	91.9	Very high	95.9	Very high	17 Å²	17	25.9 Å²	25.9	18%	0.175	13%	0.132	C	C	.	.	S	Bend	trans	89.6	-179.7	-178.8	0	0	0	0	0	113.6	P241 T285	P241-G283 WeakPolarHBondContact CD-O 3.26Å; G283-T285 PolarHBondContact O-N 2.89Å
284	E	93.3	Very high	95.8	Very high	151 Å²	151	26 Å²	26	71%	0.706	13%	0.133	S	C	*	.	S	Bend	trans	-81.7	28.6	-175.1	-61.5	-62.3	160.2	0	0	113.5
285	T	95.6	Very high	95.6	Very high	37 Å²	37	29.8 Å²	29.8	23%	0.227	15%	0.15	C	C	.	.	S	Bend	trans	-99.9	133.8	-176.7	-57.4	0	0	0	0	109.9	T202 P241 G283 D289 F290	T202-T285 HydrophobicContact CG2-CG2 3.78Å; P241-T285 WeakPolarHBondContact CD-O 3.43Å; G283-T285 PolarHBondContact O-N 2.89Å; T285-D289 HydrophobicContact CG2-CB 3.64Å; T285-F290 HydrophobicContact CG2-CD2 4.48Å; T285-F290 HydrophobicContact CG2-CE2 4.05Å; T285-F290 HydrophobicContact CG2-CZ 4.47Å; T285-F290 WeakPolarHBondContact O-CE2 3.44Å
286	P	97.3	Very high	95.5	Very high	34 Å²	34	29 Å²	29	22%	0.221	15%	0.145	C	C	.	.			trans	-57	143.2	173.3	-26.9	36.3	0	0	0	112.5	K288 D289 F290	P286-K288 HydrophobicContact CB-CG 4.22Å; P286-K288 PolarHBondContact O-N 3.41Å; P286-K288 VanDerWaalsContact O-N 3.07Å; P286-D289 WeakPolarHBondContact O-CB 3.45Å; P286-D289 PolarHBondContact O-N 3.37Å; P286-F290 WeakPolarHBondContact O-CD2 3.31Å
287	I	97.3	Very high	95.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-57.8	-30.3	-176.8	-169.4	160.5	0	0	0	113.3	I220 I222 I237 D239 I244 D289 F290 I293	I220-I287 HydrophobicContact CD1-CD1 4.36Å; I220-I287 HydrophobicContact CD1-CG1 4.35Å; I220-I287 HydrophobicContact CD1-CG2 3.98Å; I222-I287 HydrophobicContact CD1-CD1 4.3Å; I222-I287 HydrophobicContact CG2-CD1 4.1Å; I237-I287 WeakPolarHBondContact O-CG2 3.49Å; D239-I287 PolarHBondContact O-N 3.44Å; I244-I287 HydrophobicContact CD1-CB 3.94Å; I244-I287 HydrophobicContact CD1-CD1 3.4Å; I244-I287 HydrophobicContact CD1-CG1 4.22Å; I244-I287 HydrophobicContact CD1-CG2 4.25Å; I287-D289 PolarHBondContact O-N 3.3Å; I287-F290 PolarHBondContact O-N 3.08Å; I287-I293 HydrophobicContact CD1-CD1 4.18Å; I287-I293 HydrophobicContact CG1-CD1 3.97Å; I287-I293 HydrophobicContact CG1-CG1 3.84Å; I287-I293 HydrophobicContact CG1-CG2 4.38Å; I287-I293 WeakPolarHBondContact O-CB 3.44Å; I287-I293 VanDerWaalsContact O-CG1 3.31Å; I287-I293 WeakPolarHBondContact O-CG1 3.38Å; I287-I293 WeakPolarHBondContact O-CG2 3.12Å
288	K	95.8	Very high	95.3	Very high	46 Å²	46	30.9 Å²	30.9	20%	0.2	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-66.6	-17.4	177.7	76.5	-166.8	-178.6	-174.3	0	114.7	L207 I237 D238 P286 R294	L207-K288 HydrophobicContact CD1-CB 3.99Å; L207-K288 HydrophobicContact CD1-CD 3.85Å; L207-K288 HydrophobicContact CD1-CG 4.16Å; L207-K288 HydrophobicContact CG-CB 4.47Å; L207-K288 HydrophobicContact CG-CD 4.49Å; L207-K288 HydrophobicContact CG-CG 4.49Å; I237-K288 HydrophobicContact CB-CB 4.06Å; I237-K288 HydrophobicContact CB-CD 4.28Å; I237-K288 HydrophobicContact CD1-CD 3.97Å; I237-K288 HydrophobicContact CG1-CD 4.1Å; I237-K288 WeakPolarHBondContact O-CB 3.34Å; I237-K288 WeakPolarHBondContact O-CG 3.39Å; I237-K288 PolarHBondContact O-N 3.31Å; D238-K288 IonicContact OD1-NZ 3.62Å; D238-K288 PolarHBondContact OD1-NZ 3.22Å; P286-K288 HydrophobicContact CB-CG 4.22Å; P286-K288 PolarHBondContact O-N 3.41Å; P286-K288 VanDerWaalsContact O-N 3.07Å; K288-R294 VanDerWaalsContact O-CG 3.25Å; K288-R294 WeakPolarHBondContact O-CG 3.2Å; K288-R294 PolarHBondContact O-NE 2.64Å
289	D	96.6	Very high	95	Very high	24 Å²	24	33.1 Å²	33.1	13%	0.128	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-94.8	1.9	-173.7	-65.6	-28.5	0	0	0	112.6	T202 T203 T285 P286 I287 R294	T202-D289 CarbonylContact C-O 3.57Å; T202-D289 VanDerWaalsContact CA-O 3.23Å; T202-D289 WeakPolarHBondContact CA-O 2.92Å; T203-D289 PolarHBondContact N-O 3.02Å; T203-D289 WeakPolarHBondContact O-CB 3.47Å; T285-D289 HydrophobicContact CG2-CB 3.64Å; P286-D289 WeakPolarHBondContact O-CB 3.45Å; P286-D289 PolarHBondContact O-N 3.37Å; I287-D289 PolarHBondContact O-N 3.3Å; D289-R294 IonicContact OD1-CZ 2.78Å; D289-R294 IonicContact OD1-NH2 3.36Å; D289-R294 PolarHBondContact OD1-NH2 3.18Å
290	F	97.3	Very high	94.6	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-84.7	133.2	170.8	-69.5	-96	0	0	0	111.3	P200 T202 P241 I281 T282 T285 P286 I287 W292 I293 R294	P200-F290 HydrophobicContact CB-CE1 3.96Å; T202-F290 HydrophobicContact CG2-CD1 3.66Å; T202-F290 HydrophobicContact CG2-CD2 4.46Å; T202-F290 HydrophobicContact CG2-CE1 3.6Å; T202-F290 HydrophobicContact CG2-CE2 4.42Å; T202-F290 HydrophobicContact CG2-CG 4.11Å; T202-F290 HydrophobicContact CG2-CZ 4.01Å; P241-F290 HydrophobicContact CG-CE2 4.08Å; P241-F290 HydrophobicContact CG-CZ 3.93Å; I281-F290 HydrophobicContact CB-CE1 4.34Å; I281-F290 HydrophobicContact CD1-CB 3.82Å; I281-F290 HydrophobicContact CD1-CD1 3.37Å; I281-F290 HydrophobicContact CD1-CD2 4.46Å; I281-F290 HydrophobicContact CD1-CE1 4.02Å; I281-F290 HydrophobicContact CD1-CG 3.62Å; I281-F290 HydrophobicContact CG2-CD1 4.31Å; I281-F290 HydrophobicContact CG2-CD2 4.2Å; I281-F290 HydrophobicContact CG2-CE1 4.12Å; I281-F290 HydrophobicContact CG2-CE2 3.99Å; I281-F290 HydrophobicContact CG2-CG 4.35Å; I281-F290 HydrophobicContact CG2-CZ 3.94Å; T282-F290 WeakPolarHBondContact O-CZ 3.15Å; T285-F290 HydrophobicContact CG2-CD2 4.48Å; T285-F290 HydrophobicContact CG2-CE2 4.05Å; T285-F290 HydrophobicContact CG2-CZ 4.47Å; T285-F290 WeakPolarHBondContact O-CE2 3.44Å; P286-F290 WeakPolarHBondContact O-CD2 3.31Å; I287-F290 PolarHBondContact O-N 3.08Å; F290-W292 VanDerWaalsContact C-N 3.32Å; F290-W292 PolarHBondContact O-N 3.43Å; F290-I293 HydrophobicContact CB-CB 4.3Å; F290-I293 HydrophobicContact CB-CG1 3.8Å; F290-I293 WeakPolarHBondContact O-CB 3.48Å; F290-I293 PolarHBondContact O-N 3.18Å; F290-I293 VanDerWaalsContact O-N 3.09Å; F290-R294 PolarHBondContact O-N 3.42Å; F290-R294 VanDerWaalsContact O-N 3.11Å
291	H	95.2	Very high	94.4	Very high	34 Å²	34	38.9 Å²	38.9	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-41.9	-176.7	-79.3	-86.5	0	0	0	112.8	W201 I293 R294 Q295 D657	W201-H291 AromaticContact CD1-CD2 3.19Å; W201-H291 AromaticContact CD1-CG 3.95Å; W201-H291 AromaticContact CD1-NE2 3.76Å; W201-H291 HydrophobicContact CD2-CB 3.93Å; W201-H291 AromaticContact CE2-CD2 3.8Å; W201-H291 AromaticContact CE2-CG 3.8Å; W201-H291 HydrophobicContact CE3-CB 4.22Å; W201-H291 HydrophobicContact CG-CB 4.23Å; W201-H291 AromaticContact CG-CD2 3.73Å; W201-H291 HydrophobicContact CZ2-CB 4.47Å; W201-H291 AromaticContact NE1-CD2 3.2Å; W201-H291 PolarHBondContact NE1-CD2 3.2Å; W201-H291 AromaticContact NE1-CG 3.67Å; W201-H291 AromaticContact NE1-NE2 3.5Å; W201-H291 PolarHBondContact NE1-NE2 2.91Å; W201-H291 PolarHBondContact O-N 3.02Å; W201-H291 VanDerWaalsContact O-N 3.1Å; H291-I293 VanDerWaalsContact C-N 3.29Å; H291-I293 PolarHBondContact O-N 2.98Å; H291-R294 PolarHBondContact O-N 3.33Å; H291-Q295 WeakPolarHBondContact O-CB 3.29Å; H291-Q295 PolarHBondContact O-N 2.93Å; H291-D657 IonicContact CE1-OD1 3.59Å; H291-D657 PolarHBondContact CE1-OD1 3.07Å; H291-D657 IonicContact CE1-OD2 2.73Å; H291-D657 VanDerWaalsContact NE2-CG 3.32Å; H291-D657 IonicContact NE2-OD1 3.61Å; H291-D657 PolarHBondContact NE2-OD1 2.85Å; H291-D657 VanDerWaalsContact NE2-OD1 3.15Å; H291-D657 IonicContact NE2-OD2 2.73Å
292	W	96	Very high	94.3	Very high	40 Å²	40	43.8 Å²	43.8	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-40.9	177.1	-175	-100	0	0	0	112.5	I274 R277 F290 Q295 C296	I274-W292 HydrophobicContact CD1-CB 3.4Å; I274-W292 VanDerWaalsContact CD1-CB 3.4Å; I274-W292 HydrophobicContact CD1-CD2 3.81Å; I274-W292 HydrophobicContact CD1-CG 3.26Å; I274-W292 HydrophobicContact CG1-CB 4.38Å; I274-W292 HydrophobicContact CG1-CD2 4.31Å; I274-W292 HydrophobicContact CG1-CG 3.82Å; I274-W292 HydrophobicContact CG2-CD2 3.86Å; I274-W292 HydrophobicContact CG2-CG 4.24Å; I274-W292 HydrophobicContact CG2-CH2 4.39Å; I274-W292 HydrophobicContact CG2-CZ2 3.67Å; R277-W292 VanDerWaalsContact CD-CH2 3.45Å; F290-W292 VanDerWaalsContact C-N 3.32Å; F290-W292 PolarHBondContact O-N 3.43Å; W292-Q295 WeakPolarHBondContact O-CB 3.29Å; W292-Q295 PolarHBondContact O-N 2.92Å; W292-C296 PolarHBondContact NE1-SG 3.02Å; W292-C296 PolarHBondContact O-N 2.78Å; W292-C296 PolarHBondContact O-SG 3.46Å; W292-C296 VanDerWaalsContact O-SG 3.38Å
293	I	96.7	Very high	94.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66	-45.4	179.2	-57.3	-64.1	0	0	0	110.1	I220 I287 F290 H291 Q295 C296 L297 I303	I220-I293 HydrophobicContact CD1-CG2 3.96Å; I287-I293 HydrophobicContact CD1-CD1 4.18Å; I287-I293 HydrophobicContact CG1-CD1 3.97Å; I287-I293 HydrophobicContact CG1-CG1 3.84Å; I287-I293 HydrophobicContact CG1-CG2 4.38Å; I287-I293 WeakPolarHBondContact O-CB 3.44Å; I287-I293 VanDerWaalsContact O-CG1 3.31Å; I287-I293 WeakPolarHBondContact O-CG1 3.38Å; I287-I293 WeakPolarHBondContact O-CG2 3.12Å; F290-I293 HydrophobicContact CB-CB 4.3Å; F290-I293 HydrophobicContact CB-CG1 3.8Å; F290-I293 WeakPolarHBondContact O-CB 3.48Å; F290-I293 PolarHBondContact O-N 3.18Å; F290-I293 VanDerWaalsContact O-N 3.09Å; H291-I293 VanDerWaalsContact C-N 3.29Å; H291-I293 PolarHBondContact O-N 2.98Å; I293-Q295 VanDerWaalsContact C-N 3.29Å; I293-Q295 PolarHBondContact O-N 3.07Å; I293-C296 PolarHBondContact O-N 3.45Å; I293-L297 HydrophobicContact CG2-CD1 4.26Å; I293-L297 VanDerWaalsContact O-CG 3.29Å; I293-L297 WeakPolarHBondContact O-CG 3.5Å; I293-L297 PolarHBondContact O-N 2.88Å; I293-I303 HydrophobicContact CD1-CD1 4.13Å; I293-I303 HydrophobicContact CD1-CG1 4.37Å; I293-I303 HydrophobicContact CD1-CG2 3.48Å; I293-I303 VanDerWaalsContact CD1-CG2 3.48Å; I293-I303 HydrophobicContact CG2-CD1 4.03Å
294	R	95.3	Very high	94.6	Very high	12 Å²	12	44.4 Å²	44.4	5%	0.045	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-39.4	174.6	-64.7	-173.2	179.5	-158.8	3.7	111.9	T203 K205 P206 L207 L211 K288 D289 F290 H291 L297 K298	T203-R294 VanDerWaalsContact CG2-CZ 3.4Å; K205-R294 PolarHBondContact O-NH1 3.33Å; K205-R294 VanDerWaalsContact O-NH1 3.07Å; K205-R294 PolarHBondContact O-NH2 3.37Å; P206-R294 PolarHBondContact O-NH1 3.45Å; L207-R294 HydrophobicContact CD2-CG 4.22Å; L211-R294 HydrophobicContact CD1-CB 4.01Å; L211-R294 HydrophobicContact CD1-CG 4.34Å; K288-R294 VanDerWaalsContact O-CG 3.25Å; K288-R294 WeakPolarHBondContact O-CG 3.2Å; K288-R294 PolarHBondContact O-NE 2.64Å; D289-R294 IonicContact OD1-CZ 2.78Å; D289-R294 IonicContact OD1-NH2 3.36Å; D289-R294 PolarHBondContact OD1-NH2 3.18Å; F290-R294 PolarHBondContact O-N 3.42Å; F290-R294 VanDerWaalsContact O-N 3.11Å; H291-R294 PolarHBondContact O-N 3.33Å; R294-L297 PolarHBondContact O-N 2.72Å; R294-K298 WeakPolarHBondContact O-CB 3.4Å; R294-K298 PolarHBondContact O-N 3.2Å
295	Q	93.8	Very high	94.8	Very high	83 Å²	83	37.2 Å²	37.2	39%	0.388	20%	0.195	S	C	.	.	H	α-helix	trans	-64.9	-46.6	176.8	-176.3	174.5	-4.6	0	0	112.2	H291 W292 I293 L297 K298 N299	H291-Q295 WeakPolarHBondContact O-CB 3.29Å; H291-Q295 PolarHBondContact O-N 2.93Å; W292-Q295 WeakPolarHBondContact O-CB 3.29Å; W292-Q295 PolarHBondContact O-N 2.92Å; I293-Q295 VanDerWaalsContact C-N 3.29Å; I293-Q295 PolarHBondContact O-N 3.07Å; Q295-L297 VanDerWaalsContact C-N 3.32Å; Q295-L297 PolarHBondContact O-N 3.12Å; Q295-K298 WeakPolarHBondContact O-CB 3.38Å; Q295-K298 PolarHBondContact O-N 3.28Å; Q295-N299 WeakPolarHBondContact O-CB 3.31Å; Q295-N299 PolarHBondContact O-N 2.92Å
296	C	94.8	Very high	94.9	Very high	2 Å²	2	36 Å²	36	1%	0.014	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-42.6	175	-68.1	0	0	0	0	111.5	W292 I293 K298 N299 G300 E301 I303	W292-C296 PolarHBondContact NE1-SG 3.02Å; W292-C296 PolarHBondContact O-N 2.78Å; W292-C296 PolarHBondContact O-SG 3.46Å; W292-C296 VanDerWaalsContact O-SG 3.38Å; I293-C296 PolarHBondContact O-N 3.45Å; C296-K298 PolarHBondContact O-N 3.24Å; C296-N299 PolarHBondContact O-N 3.2Å; C296-G300 WeakPolarHBondContact O-CA 3.49Å; C296-G300 PolarHBondContact O-N 2.98Å; C296-E301 HydrophobicContact CB-CB 4.38Å; C296-E301 PolarHBondContact O-N 3.27Å; C296-I303 HydrophobicContact CB-CD1 4.47Å; C296-I303 HydrophobicContact CB-CG1 3.6Å
297	L	93.9	Very high	94.8	Very high	18 Å²	18	34.4 Å²	34.4	9%	0.094	18%	0.177	C	C	.	.	H	α-helix	trans	-62.5	-41.8	176.3	-70.1	172.8	0	0	0	112.4	L211 I215 I220 I293 R294 Q295 G300	L211-L297 HydrophobicContact CD2-CB 4.29Å; I215-L297 HydrophobicContact CD1-CD1 4.19Å; I215-L297 HydrophobicContact CG1-CD1 4.22Å; I215-L297 HydrophobicContact CG1-CD2 4.39Å; I220-L297 HydrophobicContact CG2-CD2 3.9Å; I293-L297 HydrophobicContact CG2-CD1 4.26Å; I293-L297 VanDerWaalsContact O-CG 3.29Å; I293-L297 WeakPolarHBondContact O-CG 3.5Å; I293-L297 PolarHBondContact O-N 2.88Å; R294-L297 PolarHBondContact O-N 2.72Å; Q295-L297 VanDerWaalsContact C-N 3.32Å; Q295-L297 PolarHBondContact O-N 3.12Å; L297-G300 PolarHBondContact O-N 2.73Å
298	K	90.4	Very high	94.5	Very high	61 Å²	61	36.5 Å²	36.5	27%	0.265	19%	0.189	S	C	.	.	H	α-helix	trans	-59.8	-48.6	175.6	-174.1	173.6	171.6	158	0	111	L211 R294 Q295 C296 G300 D864	L211-K298 HydrophobicContact CD2-CB 3.83Å; L211-K298 HydrophobicContact CD2-CG 4.48Å; R294-K298 WeakPolarHBondContact O-CB 3.4Å; R294-K298 PolarHBondContact O-N 3.2Å; Q295-K298 WeakPolarHBondContact O-CB 3.38Å; Q295-K298 PolarHBondContact O-N 3.28Å; C296-K298 PolarHBondContact O-N 3.24Å; K298-G300 VanDerWaalsContact C-N 3.3Å; K298-G300 PolarHBondContact O-N 2.93Å; K298-D864 VanDerWaalsContact CE-CG 3.45Å; K298-D864 WeakPolarHBondContact CE-OD1 3.45Å; K298-D864 WeakPolarHBondContact CE-OD2 3.44Å; K298-D864 IonicContact NZ-OD1 2.79Å; K298-D864 PolarHBondContact NZ-OD1 3.49Å; K298-D864 IonicContact NZ-OD2 3.34Å
299	N	87.9	Confident	94.4	Very high	71 Å²	71	38.5 Å²	38.5	38%	0.38	20%	0.202	S	C	.	.	H	α-helix	trans	-77.3	-16.4	-177.1	-66.5	-5.3	0	0	0	113.3	Q295 C296 E301	Q295-N299 WeakPolarHBondContact O-CB 3.31Å; Q295-N299 PolarHBondContact O-N 2.92Å; C296-N299 PolarHBondContact O-N 3.2Å; N299-E301 VanDerWaalsContact C-N 3.29Å; N299-E301 HydrophobicContact CB-CB 4.4Å; N299-E301 HydrophobicContact CB-CG 3.73Å; N299-E301 VanDerWaalsContact CB-OE1 3.27Å; N299-E301 WeakPolarHBondContact CB-OE1 3.48Å; N299-E301 PolarHBondContact ND2-OE1 2.92Å
300	G	88.4	Confident	94.2	Very high	60 Å²	60	40.1 Å²	40.1	62%	0.619	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	26	-171.2	0	0	0	0	0	112.8	C296 L297 K298	C296-G300 WeakPolarHBondContact O-CA 3.49Å; C296-G300 PolarHBondContact O-N 2.98Å; L297-G300 PolarHBondContact O-N 2.73Å; K298-G300 VanDerWaalsContact C-N 3.3Å; K298-G300 PolarHBondContact O-N 2.93Å
301	E	91.6	Very high	94.1	Very high	102 Å²	102	41.5 Å²	41.5	48%	0.477	22%	0.223	S	C	.	.			trans	-85.4	153.1	179.1	-71.1	168.6	-156.8	0	0	111.2	C296 N299	C296-E301 HydrophobicContact CB-CB 4.38Å; C296-E301 PolarHBondContact O-N 3.27Å; N299-E301 VanDerWaalsContact C-N 3.29Å; N299-E301 HydrophobicContact CB-CB 4.4Å; N299-E301 HydrophobicContact CB-CG 3.73Å; N299-E301 VanDerWaalsContact CB-OE1 3.27Å; N299-E301 WeakPolarHBondContact CB-OE1 3.48Å; N299-E301 PolarHBondContact ND2-OE1 2.92Å
302	E	95.6	Very high	94.1	Very high	105 Å²	105	43.7 Å²	43.7	49%	0.491	24%	0.235	S	C	.	.			trans	-72.5	139.5	171.3	-67.3	-161.6	125.4	0	0	110.8	I223 K232 H304	I223-E302 HydrophobicContact CD1-CB 4.2Å; I223-E302 HydrophobicContact CD1-CG 4.49Å; I223-E302 WeakPolarHBondContact CD1-OE2 3.46Å; K232-E302 IonicContact NZ-OE1 3.9Å; K232-E302 PolarHBondContact NZ-OE1 3.36Å; E302-H304 WeakPolarHBondContact CB-NE2 3.21Å; E302-H304 PolarHBondContact O-CD2 3.07Å; E302-H304 PolarHBondContact O-N 3.29Å; E302-H304 IonicContact OE2-CE1 3.91Å; E302-H304 IonicContact OE2-NE2 3.61Å
303	I	97.3	Very high	94	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	108.3	179	-61.2	162	0	0	0	108.6	I220 I222 I223 I293 C296 L305	I220-I303 HydrophobicContact CD1-CD1 3.96Å; I222-I303 HydrophobicContact CB-CG2 4.31Å; I222-I303 HydrophobicContact CG2-CB 4.04Å; I222-I303 HydrophobicContact CG2-CD1 4.21Å; I222-I303 HydrophobicContact CG2-CG2 3.79Å; I223-I303 PolarHBondContact N-O 3.43Å; I293-I303 HydrophobicContact CD1-CD1 4.13Å; I293-I303 HydrophobicContact CD1-CG1 4.37Å; I293-I303 HydrophobicContact CD1-CG2 3.48Å; I293-I303 VanDerWaalsContact CD1-CG2 3.48Å; I293-I303 HydrophobicContact CG2-CD1 4.03Å; C296-I303 HydrophobicContact CB-CD1 4.47Å; C296-I303 HydrophobicContact CB-CG1 3.6Å; I303-L305 HydrophobicContact CG2-CD2 4.25Å; I303-L305 HydrophobicContact CG2-CG 4.17Å
304	H	97.3	Very high	93.9	Very high	45 Å²	45	49.1 Å²	49.1	21%	0.208	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.4	177.6	-62.4	-84.7	0	0	0	112.1	I223 H225 C275 E302 L826	I223-H304 WeakPolarHBondContact CD1-CE1 3.49Å; I223-H304 WeakPolarHBondContact O-CA 3.33Å; H225-H304 AromaticContact CE1-ND1 3.92Å; H225-H304 AromaticContact NE2-CG 3.75Å; H225-H304 AromaticContact NE2-ND1 3.11Å; H225-H304 PolarHBondContact NE2-ND1 3.3Å; H225-H304 VanDerWaalsContact NE2-ND1 3.11Å; C275-H304 HydrophobicContact CB-CB 4.21Å; C275-H304 PolarHBondContact N-O 3.23Å; C275-H304 VanDerWaalsContact SG-C 3.59Å; C275-H304 PolarHBondContact SG-O 3.24Å; E302-H304 WeakPolarHBondContact CB-NE2 3.21Å; E302-H304 PolarHBondContact O-CD2 3.07Å; E302-H304 PolarHBondContact O-N 3.29Å; E302-H304 IonicContact OE2-CE1 3.91Å; E302-H304 IonicContact OE2-NE2 3.61Å; H304-L826 HydrophobicContact CB-CD1 3.37Å
305	L	97.6	Very high	93.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.4	178.9	-53.8	177.8	0	0	0	109.3	I222 I223 I224 H225 L272 R273 I274 C275 I281 I303	I222-L305 HydrophobicContact CD1-CD1 4.42Å; I223-L305 PolarHBondContact O-N 3.31Å; I224-L305 CarbonylContact C-O 3.5Å; I224-L305 VanDerWaalsContact CA-O 3.3Å; I224-L305 WeakPolarHBondContact CA-O 3.26Å; H225-L305 PolarHBondContact CD2-O 2.99Å; H225-L305 PolarHBondContact N-O 3.05Å; L272-L305 HydrophobicContact CB-CD1 4.31Å; L272-L305 HydrophobicContact CD1-CD1 4.17Å; L272-L305 HydrophobicContact CD2-CB 4.34Å; L272-L305 HydrophobicContact CD2-CD1 4.4Å; R273-L305 CarbonylContact O-C 3.49Å; R273-L305 VanDerWaalsContact O-CA 3.26Å; R273-L305 WeakPolarHBondContact O-CA 3.43Å; I274-L305 HydrophobicContact CG1-CD2 3.91Å; C275-L305 VanDerWaalsContact SG-C 3.54Å; I281-L305 HydrophobicContact CG1-CD2 4.05Å; I303-L305 HydrophobicContact CG2-CD2 4.25Å; I303-L305 HydrophobicContact CG2-CG 4.17Å
306	V	96.4	Very high	94	Very high	11 Å²	11	50.9 Å²	50.9	7%	0.067	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.2	170.9	64.1	0	0	0	0	109.4	H225 R273 D308 T824	H225-V306 WeakPolarHBondContact O-CA 3.17Å; R273-V306 HydrophobicContact CB-CG1 3.83Å; R273-V306 PolarHBondContact N-O 3.4Å; R273-V306 PolarHBondContact O-N 3.1Å; V306-D308 HydrophobicContact CG1-CB 4.46Å; V306-D308 PolarHBondContact O-N 2.98Å; V306-T824 HydrophobicContact CB-CG2 4.43Å; V306-T824 HydrophobicContact CG1-CG2 4.34Å; V306-T824 HydrophobicContact CG2-CG2 4.04Å
307	L	95.2	Very high	93.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	102.3	171	-170.8	71.5	0	0	0	108.2	I224 H225 R226 L245 F248 F249 I261 F270 L272	I224-L307 HydrophobicContact CG2-CB 4Å; H225-L307 PolarHBondContact O-N 3.16Å; R226-L307 VanDerWaalsContact CD-O 3.22Å; R226-L307 WeakPolarHBondContact CD-O 3.25Å; R226-L307 PolarHBondContact NH1-O 3.03Å; L245-L307 HydrophobicContact CD2-CD1 3.37Å; F248-L307 HydrophobicContact CE1-CD2 4.05Å; F249-L307 HydrophobicContact CE2-CD1 4.41Å; F249-L307 HydrophobicContact CE2-CD2 4.1Å; F249-L307 HydrophobicContact CZ-CD2 4.17Å; I261-L307 HydrophobicContact CD1-CD2 3.87Å; F270-L307 HydrophobicContact CB-CD1 3.55Å; F270-L307 HydrophobicContact CB-CG 3.92Å; F270-L307 HydrophobicContact CD1-CD1 4.42Å; F270-L307 HydrophobicContact CD1-CD2 4.19Å; F270-L307 HydrophobicContact CD1-CG 3.82Å; F270-L307 HydrophobicContact CG-CD1 4.07Å; F270-L307 HydrophobicContact CG-CD2 4.21Å; F270-L307 HydrophobicContact CG-CG 3.92Å; L272-L307 HydrophobicContact CD2-CD1 4.39Å
308	D	91.9	Very high	93.9	Very high	45 Å²	45	58.5 Å²	58.5	24%	0.241	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	166.5	-172.9	-146.5	-16.1	0	0	0	111.4	F270 V271 R273 V306	F270-D308 CarbonylContact C-O 3.58Å; F270-D308 WeakPolarHBondContact CA-O 3.14Å; V271-D308 PolarHBondContact N-O 3.18Å; V271-D308 PolarHBondContact O-N 3.28Å; R273-D308 HydrophobicContact CB-CB 4.41Å; R273-D308 IonicContact CZ-OD2 3.61Å; R273-D308 IonicContact NE-OD2 2.93Å; R273-D308 PolarHBondContact NE-OD2 3.04Å; R273-D308 IonicContact NH2-OD2 3.84Å; R273-D308 PolarHBondContact NH2-OD2 3.41Å; V306-D308 HydrophobicContact CG1-CB 4.46Å; V306-D308 PolarHBondContact O-N 2.98Å
309	N	92.3	Very high	93.7	Very high	88 Å²	88	60.6 Å²	60.6	47%	0.471	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-78.9	138.3	170.2	-63.6	-5.6	0	0	0	108.7
310	P	93.8	Very high	93.4	Very high	57 Å²	57	66.3 Å²	66.3	37%	0.37	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-58.1	139.6	174.5	-20.8	30.3	0	0	0	111.1	M198 D269 V271	M198-P310 HydrophobicContact SD-CB 4.37Å; D269-P310 VanDerWaalsContact O-CD 3.23Å; D269-P310 WeakPolarHBondContact O-CD 3.45Å; V271-P310 HydrophobicContact CB-CG 4.16Å; V271-P310 HydrophobicContact CG1-CB 4.35Å; V271-P310 HydrophobicContact CG1-CG 4.23Å
311	P	94.8	Very high	93.2	Very high	32 Å²	32	65.2 Å²	65.2	21%	0.208	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-61.2	140.9	174.7	26.4	-34	0	0	0	110.4	A197 M198 Y280 P313	A197-P311 HydrophobicContact CB-CG 4.04Å; M198-P311 HydrophobicContact CG-CG 3.59Å; Y280-P311 HydrophobicContact CE1-CG 4.29Å; P311-P313 WeakPolarHBondContact O-CD 3.43Å
312	D	95.3	Very high	92.5	Very high	79 Å²	79	65.9 Å²	65.9	42%	0.422	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-69.8	116.3	178.6	-177.6	2.1	0	0	0	109.9	N314 E315	D312-N314 PolarHBondContact O-N 3.31Å; D312-N314 WeakPolarHBondContact OD1-CB 3.18Å; D312-N314 VanDerWaalsContact OD1-CG 3.31Å; D312-N314 PolarHBondContact OD1-N 2.84Å; D312-N314 PolarHBondContact OD1-ND2 3.36Å; D312-N314 PolarHBondContact OD2-ND2 3.42Å; D312-E315 HydrophobicContact CB-CG 4.39Å; D312-E315 WeakPolarHBondContact O-CB 3.42Å; D312-E315 PolarHBondContact O-N 3Å
313	P	94.1	Very high	91.7	Very high	37 Å²	37	63.8 Å²	63.8	24%	0.24	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-61.9	-17.2	178.6	-21.6	34.4	0	0	0	114.2	P193 K194 P311 E315 D316	P193-P313 HydrophobicContact CB-CB 3.79Å; P193-P313 HydrophobicContact CB-CG 4.48Å; K194-P313 HydrophobicContact CG-CG 4.11Å; P311-P313 WeakPolarHBondContact O-CD 3.43Å; P313-E315 PolarHBondContact O-N 3.35Å; P313-D316 PolarHBondContact O-N 3.09Å; P313-D316 VanDerWaalsContact O-N 3.07Å
314	N	94.6	Very high	90.9	Very high	118 Å²	118	65 Å²	65	63%	0.631	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-66.3	-18.9	174.4	-59.7	-49.1	0	0	0	112.6	D312 D316 E317	D312-N314 PolarHBondContact O-N 3.31Å; D312-N314 WeakPolarHBondContact OD1-CB 3.18Å; D312-N314 VanDerWaalsContact OD1-CG 3.31Å; D312-N314 PolarHBondContact OD1-N 2.84Å; D312-N314 PolarHBondContact OD1-ND2 3.36Å; D312-N314 PolarHBondContact OD2-ND2 3.42Å; N314-D316 PolarHBondContact O-N 2.9Å; N314-E317 WeakPolarHBondContact O-CB 3.32Å; N314-E317 PolarHBondContact O-N 2.85Å
315	E	94.4	Very high	90.5	Very high	121 Å²	121	63.5 Å²	63.5	57%	0.565	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-66.1	-20.4	171.6	-63.7	-172.9	174.9	0	0	112.5	D312 P313 E317 A730	D312-E315 HydrophobicContact CB-CG 4.39Å; D312-E315 WeakPolarHBondContact O-CB 3.42Å; D312-E315 PolarHBondContact O-N 3Å; P313-E315 PolarHBondContact O-N 3.35Å; E315-E317 VanDerWaalsContact C-N 3.34Å; E315-A730 HydrophobicContact CB-CB 4.25Å; E315-A730 WeakPolarHBondContact O-CB 3.43Å; E315-A730 PolarHBondContact O-N 3.35Å
316	D	95.3	Very high	90.1	Very high	11 Å²	11	63.7 Å²	63.7	6%	0.059	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-94.6	17.9	175.6	-69.5	-54.1	0	0	0	113.2	R191 Y196 A197 P313 N314 V318 K692 G728	R191-D316 PolarHBondContact NH2-O 3.28Å; Y196-D316 HydrophobicContact CD1-CB 4.13Å; Y196-D316 HydrophobicContact CE1-CB 4.26Å; A197-D316 WeakPolarHBondContact CA-OD2 3.36Å; P313-D316 PolarHBondContact O-N 3.09Å; P313-D316 VanDerWaalsContact O-N 3.07Å; N314-D316 PolarHBondContact O-N 2.9Å; D316-V318 PolarHBondContact O-N 3.25Å; D316-K692 VanDerWaalsContact OD1-CE 3.28Å; D316-K692 WeakPolarHBondContact OD1-CE 3.44Å; D316-K692 IonicContact OD1-NZ 3.96Å; D316-K692 PolarHBondContact OD1-NZ 3.24Å; D316-K692 WeakPolarHBondContact OD2-CE 3.42Å; D316-K692 IonicContact OD2-NZ 3.07Å; D316-K692 PolarHBondContact OD2-NZ 3.46Å; D316-G728 WeakPolarHBondContact O-CA 3.45Å
317	E	94	Very high	89.6	Confident	143 Å²	143	63.5 Å²	63.5	67%	0.668	32%	0.319	S	S	*	.			trans	-54.2	138.2	174.6	-172.3	178.2	-156.6	0	0	110.9	N314 E315 K729	N314-E317 WeakPolarHBondContact O-CB 3.32Å; N314-E317 PolarHBondContact O-N 2.85Å; E315-E317 VanDerWaalsContact C-N 3.34Å; E317-K729 PolarHBondContact O-N 2.93Å
318	V	92.9	Very high	88.9	Confident	37 Å²	37	68.1 Å²	68.1	22%	0.224	34%	0.344	C	S	.	.			trans	-106	133.8	179.6	178.5	0	0	0	0	108.4	V188 D316 R725	V188-V318 HydrophobicContact CG1-CB 4.28Å; V188-V318 HydrophobicContact CG1-CG2 3.86Å; V188-V318 HydrophobicContact CG2-CG2 4.46Å; D316-V318 PolarHBondContact O-N 3.25Å; V318-R725 WeakPolarHBondContact CG1-O 3.41Å
319	Q	86.3	Confident	88.6	Confident	104 Å²	104	67.2 Å²	67.2	49%	0.486	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-56.1	144.3	175.6	-72.8	-170.6	-11.1	0	0	111.3	E321	Q319-E321 PolarHBondContact O-N 2.92Å
320	K	82.3	Confident	88.4	Confident	192 Å²	192	63.1 Å²	63.1	84%	0.835	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-61.5	129.1	-179.3	-173.6	179.6	178	-174.6	0	110.4	E322	K320-E322 PolarHBondContact O-N 2.86Å
321	E	84.4	Confident	87.9	Confident	37 Å²	37	60.5 Å²	60.5	17%	0.173	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-74.2	123.8	173.9	-173.9	53.3	-95.3	0	0	110.1	V181 R184 M185 Q319 W323	V181-E321 HydrophobicContact CG1-CG 3.88Å; R184-E321 IonicContact CZ-OE2 3.24Å; R184-E321 IonicContact NH1-OE2 2.74Å; R184-E321 PolarHBondContact NH1-OE2 2.9Å; R184-E321 IonicContact NH2-OE2 3.75Å; R184-E321 PolarHBondContact NH2-OE2 3.23Å; M185-E321 HydrophobicContact CE-CB 4.18Å; M185-E321 HydrophobicContact SD-CB 3.75Å; M185-E321 HydrophobicContact SD-CG 3.75Å; Q319-E321 PolarHBondContact O-N 2.92Å; E321-W323 HydrophobicContact CG-CB 4.14Å; E321-W323 VanDerWaalsContact OE1-CB 3.23Å; E321-W323 WeakPolarHBondContact OE1-CB 3.46Å; E321-W323 PolarHBondContact OE1-N 3.4Å
322	E	76.4	Confident	87.4	Confident	116 Å²	116	59.5 Å²	59.5	54%	0.542	30%	0.295	S	S	.	.			trans	-97.1	-17.8	178.5	-63.2	-164.8	162.5	0	0	111.9	V147 K320 P324	V147-E322 VanDerWaalsContact CG2-OE2 3.31Å; V147-E322 WeakPolarHBondContact CG2-OE2 3.39Å; K320-E322 PolarHBondContact O-N 2.86Å; E322-P324 WeakPolarHBondContact O-CD 3.47Å
323	W	78.5	Confident	86.7	Confident	61 Å²	61	56 Å²	56	23%	0.231	28%	0.277	C	S	.	.	S	Bend	trans	-68.7	126	175	-76	6.8	0	0	0	111.1	R177 V181 E321 L325	R177-W323 HydrophobicContact CB-CH2 4.15Å; R177-W323 HydrophobicContact CB-CZ3 4.07Å; V181-W323 HydrophobicContact CG2-CE3 3.5Å; V181-W323 HydrophobicContact CG2-CZ3 4.09Å; E321-W323 HydrophobicContact CG-CB 4.14Å; E321-W323 VanDerWaalsContact OE1-CB 3.23Å; E321-W323 WeakPolarHBondContact OE1-CB 3.46Å; E321-W323 PolarHBondContact OE1-N 3.4Å; W323-L325 PolarHBondContact O-N 3.43Å
324	P	82.1	Confident	86.2	Confident	30 Å²	30	54.3 Å²	54.3	20%	0.195	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-54.9	141.6	166.6	-25.5	35.1	0	0	0	110.2	I97 E108 R178 E322	I97-P324 HydrophobicContact CD1-CG 4.04Å; E108-P324 HydrophobicContact CB-CB 3.69Å; R178-P324 PolarHBondContact NH2-O 2.77Å; E322-P324 WeakPolarHBondContact O-CD 3.47Å
325	L	88.3	Confident	85.8	Confident	15 Å²	15	52.6 Å²	52.6	8%	0.079	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-66.5	147.6	178.5	-66.7	178.5	0	0	0	110.7	Q105 Y107 E108 V181 M185 W323	Q105-L325 HydrophobicContact CB-CD1 4.35Å; Y107-L325 CarbonylContact C-O 3.58Å; Y107-L325 VanDerWaalsContact CA-O 3.25Å; Y107-L325 WeakPolarHBondContact CA-O 3.16Å; Y107-L325 HydrophobicContact CD1-CB 3.55Å; Y107-L325 HydrophobicContact CE1-CB 3.66Å; Y107-L325 HydrophobicContact CE1-CD1 3.98Å; Y107-L325 HydrophobicContact CE1-CG 4.48Å; Y107-L325 HydrophobicContact CG-CB 4.21Å; E108-L325 PolarHBondContact N-O 3.25Å; V181-L325 HydrophobicContact CG1-CD2 3.92Å; M185-L325 HydrophobicContact CE-CD2 4.38Å; M185-L325 HydrophobicContact SD-CD2 3.46Å; M185-L325 WeakPolarHBondContact SD-CD2 3.34Å; W323-L325 PolarHBondContact O-N 3.43Å
326	V	89.4	Confident	85.5	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.018	24%	0.236	C	C	.	.			trans	-114.8	134	172.9	177.9	0	0	0	0	107.7	Y110 R178 T182 T330	Y110-V326 HydrophobicContact CG-CG2 4.08Å; R178-V326 HydrophobicContact CB-CG2 4.21Å; T182-V326 PolarHBondContact OG1-O 3.29Å; V326-T330 HydrophobicContact CG1-CG2 3.57Å; V326-T330 WeakPolarHBondContact CG1-OG1 3.1Å
327	D	86	Confident	84.9	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.043	25%	0.251	C	S	.	.			trans	-82.9	162.2	-175.6	68.6	66.8	0	0	0	113.1	Y100 Y107 D120 C329 T330	Y100-D327 PolarHBondContact OH-OD2 2.58Å; Y107-D327 HydrophobicContact CD1-CB 4.1Å; Y107-D327 HydrophobicContact CE1-CB 4.45Å; D120-D327 HydrophobicContact CB-CB 3.92Å; D120-D327 WeakPolarHBondContact CB-OD1 3.38Å; D120-D327 WeakPolarHBondContact CB-OD2 3.43Å; D327-C329 PolarHBondContact O-N 3.24Å; D327-C329 VanDerWaalsContact OD1-CA 3.26Å; D327-C329 WeakPolarHBondContact OD1-CA 3.48Å; D327-C329 WeakPolarHBondContact OD1-CB 3.36Å; D327-C329 PolarHBondContact OD1-N 3.42Å; D327-T330 VanDerWaalsContact O-CB 3.23Å; D327-T330 WeakPolarHBondContact O-CB 3.36Å; D327-T330 PolarHBondContact O-N 3.43Å; D327-T330 VanDerWaalsContact O-N 3.09Å; D327-T330 PolarHBondContact O-OG1 3.36Å; D327-T330 PolarHBondContact OD1-N 3.29Å; D327-T330 VanDerWaalsContact OD1-N 3.15Å
328	D	80.6	Confident	84.3	Confident	97 Å²	97	48.3 Å²	48.3	52%	0.519	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.7	-178.5	-74.5	-45.2	0	0	0	113.8	R179 T330 R682	R179-D328 PolarHBondContact NH2-O 2.73Å; D328-T330 PolarHBondContact O-N 3.4Å; D328-R682 IonicContact OD1-NH1 2.8Å; D328-R682 PolarHBondContact OD1-NH1 2.94Å
329	C	85.1	Confident	83.9	Confident	25 Å²	25	46.7 Å²	46.7	17%	0.169	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.5	175.6	-62	0	0	0	0	112.4	Q114 D120 D327 G331 V332	Q114-C329 PolarHBondContact NE2-O 3.31Å; D120-C329 HydrophobicContact CB-CB 4.06Å; D327-C329 PolarHBondContact O-N 3.24Å; D327-C329 VanDerWaalsContact OD1-CA 3.26Å; D327-C329 WeakPolarHBondContact OD1-CA 3.48Å; D327-C329 WeakPolarHBondContact OD1-CB 3.36Å; D327-C329 PolarHBondContact OD1-N 3.42Å; C329-G331 PolarHBondContact O-N 2.86Å; C329-V332 WeakPolarHBondContact O-CB 3.41Å; C329-V332 WeakPolarHBondContact O-CG2 3.47Å; C329-V332 PolarHBondContact O-N 3.45Å
330	T	86.9	Confident	83.9	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.018	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	132.3	177.1	-55	0	0	0	0	111.5	Y110 D111 F175 V326 D327 D328	Y110-T330 HydrophobicContact CD1-CG2 4.2Å; D111-T330 HydrophobicContact CB-CG2 3.67Å; F175-T330 HydrophobicContact CE2-CG2 3.82Å; F175-T330 HydrophobicContact CZ-CG2 4.29Å; V326-T330 HydrophobicContact CG1-CG2 3.57Å; V326-T330 WeakPolarHBondContact CG1-OG1 3.1Å; D327-T330 VanDerWaalsContact O-CB 3.23Å; D327-T330 WeakPolarHBondContact O-CB 3.36Å; D327-T330 PolarHBondContact O-N 3.43Å; D327-T330 VanDerWaalsContact O-N 3.09Å; D327-T330 PolarHBondContact O-OG1 3.36Å; D327-T330 PolarHBondContact OD1-N 3.29Å; D327-T330 VanDerWaalsContact OD1-N 3.15Å; D328-T330 PolarHBondContact O-N 3.4Å
331	G	84.4	Confident	83.9	Confident	1 Å²	1	36 Å²	36	1%	0.01	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	1.1	-173.7	0	0	0	0	0	114.9	D111 C329 R475 F476	D111-G331 VanDerWaalsContact OD2-CA 3.26Å; D111-G331 WeakPolarHBondContact OD2-CA 3.4Å; D111-G331 PolarHBondContact OD2-N 3Å; C329-G331 PolarHBondContact O-N 2.86Å; G331-R475 CarbonylContact O-C 3.57Å; G331-F476 VanDerWaalsContact O-CD2 3.29Å; G331-F476 WeakPolarHBondContact O-CD2 3.19Å
332	V	85.1	Confident	83.9	Confident	12 Å²	12	39.9 Å²	39.9	7%	0.073	20%	0.198	C	C	.	.			trans	-86.7	129.1	-177.8	173.3	0	0	0	0	112.4	T118 C329 K534	T118-V332 HydrophobicContact CG2-CG1 4.18Å; T118-V332 PolarHBondContact OG1-O 3.2Å; C329-V332 WeakPolarHBondContact O-CB 3.41Å; C329-V332 WeakPolarHBondContact O-CG2 3.47Å; C329-V332 PolarHBondContact O-N 3.45Å; V332-K534 HydrophobicContact CG1-CD 3.62Å; V332-K534 HydrophobicContact CG1-CG 4.31Å
333	T	79.4	Confident	84	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.031	21%	0.211	C	C	.	.			trans	-91.3	-31.7	-176.7	51.2	0	0	0	0	115	V115 R475 F476 L477 A531 L532	V115-T333 WeakPolarHBondContact CG2-O 3.38Å; T333-R475 WeakPolarHBondContact CG2-O 3.43Å; T333-F476 HydrophobicContact CG2-CB 3.83Å; T333-L477 HydrophobicContact CG2-CD2 4.09Å; T333-A531 HydrophobicContact CG2-CB 3.59Å; T333-L532 PolarHBondContact OG1-O 3.36Å
334	G	83.1	Confident	83.9	Confident	2 Å²	2	37.8 Å²	37.8	2%	0.021	21%	0.211	C	C	.	.			trans	116.4	-174.2	177	0	0	0	0	0	113.7	P533 K534	G334-P533 CarbonylContact O-C 3.58Å; G334-P533 WeakPolarHBondContact O-CA 3.38Å; G334-K534 PolarHBondContact O-N 3.38Å
335	Y	86.3	Confident	83.6	Confident	82 Å²	82	40 Å²	40	32%	0.322	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-89.5	159.8	-178.4	-59.4	-71.8	0	0	0	112.8	E337 Q338 L339 K534 R536	Y335-E337 VanDerWaalsContact C-N 3.33Å; Y335-E337 WeakPolarHBondContact CB-OE2 3.32Å; Y335-E337 PolarHBondContact O-N 3.49Å; Y335-Q338 WeakPolarHBondContact O-CB 3.48Å; Y335-Q338 PolarHBondContact O-N 3.4Å; Y335-L339 PolarHBondContact O-N 2.89Å; Y335-K534 HydrophobicContact CD1-CB 3.78Å; Y335-K534 WeakPolarHBondContact CD1-O 2.83Å; Y335-K534 HydrophobicContact CE1-CB 3.89Å; Y335-R536 HydrophobicContact CD1-CB 4.41Å; Y335-R536 HydrophobicContact CD1-CG 3.4Å; Y335-R536 HydrophobicContact CE1-CB 4.49Å; Y335-R536 HydrophobicContact CE1-CG 3.44Å; Y335-R536 VanDerWaalsContact CE1-CG 3.44Å; Y335-R536 HydrophobicContact CG-CG 3.96Å
336	H	88.2	Confident	83	Confident	53 Å²	53	45.8 Å²	45.8	25%	0.245	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-41.5	-177.5	171.2	74.2	0	0	0	112.7	Q338 L339 T340 S353 W355 D356 P533	H336-Q338 PolarHBondContact O-N 3.32Å; H336-Q338 VanDerWaalsContact O-N 3.13Å; H336-L339 PolarHBondContact O-N 2.83Å; H336-L339 VanDerWaalsContact O-N 3.07Å; H336-T340 WeakPolarHBondContact O-CB 3.43Å; H336-T340 PolarHBondContact O-N 2.81Å; H336-S353 PolarHBondContact ND1-OG 2.85Å; H336-W355 HydrophobicContact CB-CE3 3.58Å; H336-W355 HydrophobicContact CB-CZ3 3.7Å; H336-W355 AromaticContact CG-CE3 3.72Å; H336-W355 AromaticContact ND1-CE3 3.86Å; H336-D356 IonicContact CE1-OD1 2.72Å; H336-D356 PolarHBondContact CE1-OD1 2.89Å; H336-D356 IonicContact ND1-OD1 2.73Å; H336-D356 PolarHBondContact ND1-OD1 3.11Å; H336-P533 HydrophobicContact CB-CB 3.92Å; H336-P533 HydrophobicContact CB-CG 4.1Å
337	E	83.9	Confident	82.2	Confident	81 Å²	81	53.9 Å²	53.9	38%	0.379	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-26.5	-179.9	-52.3	84.3	175.1	0	0	112	Y335 K344 R536	Y335-E337 VanDerWaalsContact C-N 3.33Å; Y335-E337 WeakPolarHBondContact CB-OE2 3.32Å; Y335-E337 PolarHBondContact O-N 3.49Å; E337-K344 PolarHBondContact O-NZ 2.74Å; E337-R536 IonicContact OE2-CZ 3.99Å; E337-R536 IonicContact OE2-NE 2.99Å; E337-R536 IonicContact OE2-NH1 3.68Å
338	Q	80.3	Confident	81.5	Confident	50 Å²	50	60.3 Å²	60.3	23%	0.234	31%	0.309	C	S	.	.	H	α-helix	trans	-81.9	-32.3	178.2	-60	174.8	-52.8	0	0	112.4	Y335 H336 K344	Y335-Q338 WeakPolarHBondContact O-CB 3.48Å; Y335-Q338 PolarHBondContact O-N 3.4Å; H336-Q338 PolarHBondContact O-N 3.32Å; H336-Q338 VanDerWaalsContact O-N 3.13Å; Q338-K344 PolarHBondContact O-NZ 3.4Å
339	L	84.8	Confident	81.2	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-100.9	-14.2	-173.4	-62.2	175.3	0	0	0	114.1	V115 Y335 H336 T351 S353 A531 P533	V115-L339 HydrophobicContact CG2-CD2 4.4Å; Y335-L339 PolarHBondContact O-N 2.89Å; H336-L339 PolarHBondContact O-N 2.83Å; H336-L339 VanDerWaalsContact O-N 3.07Å; L339-T351 HydrophobicContact CD2-CG2 4.13Å; L339-S353 PolarHBondContact O-N 3.39Å; L339-S353 VanDerWaalsContact O-N 3.11Å; L339-A531 HydrophobicContact CD1-CB 4.1Å; L339-P533 HydrophobicContact CD1-CB 4.48Å
340	T	85.8	Confident	81	Confident	17 Å²	17	57.7 Å²	57.7	10%	0.104	29%	0.291	C	S	.	.			trans	-63.6	142.4	-178.4	-177	0	0	0	0	111.6	H336 D342 K344 D356	H336-T340 WeakPolarHBondContact O-CB 3.43Å; H336-T340 PolarHBondContact O-N 2.81Å; T340-D342 PolarHBondContact OG1-N 2.9Å; T340-K344 VanDerWaalsContact O-CD 3.24Å; T340-K344 WeakPolarHBondContact O-CD 3.45Å; T340-K344 WeakPolarHBondContact O-CE 3.49Å; T340-K344 PolarHBondContact O-NZ 3.08Å; T340-D356 WeakPolarHBondContact CA-OD2 3.35Å; T340-D356 WeakPolarHBondContact CB-OD2 3.16Å; T340-D356 PolarHBondContact OG1-OD2 2.94Å
341	I	83.9	Confident	80.9	Confident	53 Å²	53	57.9 Å²	57.9	27%	0.272	29%	0.292	S	S	.	.			trans	-82.8	-19.7	173.9	60.6	176.2	0	0	0	112.1	G343 K344 V349 I352 D356	I341-G343 PolarHBondContact O-N 3.06Å; I341-K344 PolarHBondContact O-N 2.92Å; I341-K344 VanDerWaalsContact O-N 3.16Å; I341-V349 HydrophobicContact CG2-CG1 3.99Å; I341-V349 HydrophobicContact CG2-CG2 4.41Å; I341-I352 HydrophobicContact CG2-CB 4.43Å; I341-I352 HydrophobicContact CG2-CD1 4.43Å; I341-I352 HydrophobicContact CG2-CG1 3.87Å; I341-I352 HydrophobicContact CG2-CG2 4.06Å; I341-D356 HydrophobicContact CG1-CB 4.39Å; I341-D356 PolarHBondContact N-OD2 3Å
342	D	83.6	Confident	81.2	Confident	120 Å²	120	59.2 Å²	59.2	64%	0.642	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	123.4	-174.8	-70.1	-22.8	0	0	0	110.7	T340 K344	T340-D342 PolarHBondContact OG1-N 2.9Å; D342-K344 VanDerWaalsContact C-N 3.28Å; D342-K344 PolarHBondContact O-N 3.42Å
343	G	78.6	Confident	81.5	Confident	79 Å²	79	58.6 Å²	58.6	81%	0.814	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	13.6	179.6	0	0	0	0	0	115.2	I341	I341-G343 PolarHBondContact O-N 3.06Å
344	K	76.1	Confident	82.2	Confident	53 Å²	53	58.4 Å²	58.4	23%	0.23	29%	0.294	C	S	.	.	S	Bend	trans	-110.2	155.4	176.5	-63.7	-167	-171.6	139.2	0	112.8	M35 E337 Q338 T340 I341 D342 H346 V349	M35-K344 HydrophobicContact CE-CD 4.23Å; E337-K344 PolarHBondContact O-NZ 2.74Å; Q338-K344 PolarHBondContact O-NZ 3.4Å; T340-K344 VanDerWaalsContact O-CD 3.24Å; T340-K344 WeakPolarHBondContact O-CD 3.45Å; T340-K344 WeakPolarHBondContact O-CE 3.49Å; T340-K344 PolarHBondContact O-NZ 3.08Å; I341-K344 PolarHBondContact O-N 2.92Å; I341-K344 VanDerWaalsContact O-N 3.16Å; D342-K344 VanDerWaalsContact C-N 3.28Å; D342-K344 PolarHBondContact O-N 3.42Å; K344-H346 PolarHBondContact O-CD2 3.11Å; K344-H346 PolarHBondContact O-N 3.06Å; K344-V349 HydrophobicContact CB-CG2 4.47Å
345	D	75.5	Confident	82.7	Confident	76 Å²	76	60.6 Å²	60.6	41%	0.406	30%	0.302	S	S	.	.			trans	-68	115	170.8	180	3.2	0	0	0	109.9	E347 R348	D345-E347 PolarHBondContact O-N 2.95Å; D345-E347 PolarHBondContact OD1-N 2.96Å; D345-R348 HydrophobicContact CB-CG 4.28Å; D345-R348 PolarHBondContact O-N 3.43Å; D345-R348 IonicContact OD2-NE 3.27Å; D345-R348 PolarHBondContact OD2-NE 3.11Å; D345-R348 VanDerWaalsContact OD2-NE 3.12Å
346	H	76.1	Confident	83	Confident	137 Å²	137	57.9 Å²	57.9	63%	0.634	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-62.1	-29	-175.5	-64.5	176.8	0	0	0	112.7	K344 R348 V349	K344-H346 PolarHBondContact O-CD2 3.11Å; K344-H346 PolarHBondContact O-N 3.06Å; H346-R348 PolarHBondContact O-N 3.09Å; H346-V349 PolarHBondContact O-N 3.5Å
347	E	72.7	Confident	83.3	Confident	173 Å²	173	56.4 Å²	56.4	81%	0.808	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-68.2	-16.5	178.2	-64.5	-170.6	168	0	0	112.6	D345	D345-E347 PolarHBondContact O-N 2.95Å; D345-E347 PolarHBondContact OD1-N 2.96Å
348	R	70.7	Confident	83.7	Confident	144 Å²	144	57.1 Å²	57.1	54%	0.543	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-105.8	4.2	-179.3	-56	-177.9	-173.5	-150	-7.5	113	M35 N64 D345 H346 F350	M35-R348 HydrophobicContact CE-CB 3.57Å; M35-R348 WeakPolarHBondContact CE-O 3.48Å; M35-R348 HydrophobicContact SD-CB 3.5Å; M35-R348 VanDerWaalsContact SD-CB 3.5Å; M35-R348 HydrophobicContact SD-CG 4.26Å; N64-R348 PolarHBondContact ND2-O 3.47Å; D345-R348 HydrophobicContact CB-CG 4.28Å; D345-R348 PolarHBondContact O-N 3.43Å; D345-R348 IonicContact OD2-NE 3.27Å; D345-R348 PolarHBondContact OD2-NE 3.11Å; D345-R348 VanDerWaalsContact OD2-NE 3.12Å; H346-R348 PolarHBondContact O-N 3.09Å; R348-F350 WeakPolarHBondContact O-CD2 3.38Å; R348-F350 WeakPolarHBondContact O-CE2 3.37Å
349	V	75.5	Confident	84.4	Confident	8 Å²	8	60.2 Å²	60.2	5%	0.048	30%	0.304	C	S	.	.			trans	-88.7	120.1	177.6	176.9	0	0	0	0	109.3	I341 K344 H346 I352 H528	I341-V349 HydrophobicContact CG2-CG1 3.99Å; I341-V349 HydrophobicContact CG2-CG2 4.41Å; K344-V349 HydrophobicContact CB-CG2 4.47Å; H346-V349 PolarHBondContact O-N 3.5Å; V349-I352 HydrophobicContact CG1-CG1 3.92Å; V349-H528 PolarHBondContact O-CE1 3.02Å; V349-H528 VanDerWaalsContact O-CE1 3.23Å; V349-H528 PolarHBondContact O-ND1 2.79Å
350	F	80.1	Confident	85.1	Confident	58 Å²	58	63.8 Å²	63.8	25%	0.254	32%	0.319	S	S	.	.			trans	-110.3	-19	178.9	-61.4	-69.6	0	0	0	113.6	Q69 R348 P529	Q69-F350 VanDerWaalsContact NE2-CD1 3.3Å; R348-F350 WeakPolarHBondContact O-CD2 3.38Å; R348-F350 WeakPolarHBondContact O-CE2 3.37Å; F350-P529 WeakPolarHBondContact O-CD 3.39Å
351	T	85.6	Confident	85.6	Confident	7 Å²	7	63.2 Å²	63.2	4%	0.043	32%	0.315	C	S	.	.	S	Bend	trans	-145	138.7	178.6	-56.7	0	0	0	0	108.3	L339 A531	L339-T351 HydrophobicContact CD2-CG2 4.13Å; T351-A531 HydrophobicContact CG2-CB 3.64Å
352	I	89.4	Confident	86.3	Confident	29 Å²	29	63.2 Å²	63.2	15%	0.149	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.8	-175.7	-63.2	171.9	0	0	0	110.4	I341 V349 L354 H528 P529 I530 A531	I341-I352 HydrophobicContact CG2-CB 4.43Å; I341-I352 HydrophobicContact CG2-CD1 4.43Å; I341-I352 HydrophobicContact CG2-CG1 3.87Å; I341-I352 HydrophobicContact CG2-CG2 4.06Å; V349-I352 HydrophobicContact CG1-CG1 3.92Å; I352-L354 PolarHBondContact O-N 3.34Å; I352-H528 HydrophobicContact CD1-CB 3.92Å; I352-H528 HydrophobicContact CG1-CB 4.02Å; I352-P529 PolarHBondContact N-O 3.05Å; I352-I530 HydrophobicContact CB-CG1 4.45Å; I352-I530 CarbonylContact O-C 3.53Å; I352-I530 WeakPolarHBondContact O-CA 3.43Å; I352-A531 PolarHBondContact O-N 2.97Å
353	S	91.9	Very high	87	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	128.4	170.3	154.5	0	0	0	0	112	H336 L339 W355 D356	H336-S353 PolarHBondContact ND1-OG 2.85Å; L339-S353 PolarHBondContact O-N 3.39Å; L339-S353 VanDerWaalsContact O-N 3.11Å; S353-W355 PolarHBondContact O-N 3.16Å; S353-W355 PolarHBondContact OG-N 2.86Å; S353-D356 WeakPolarHBondContact CB-OD1 3.48Å; S353-D356 PolarHBondContact O-N 3.36Å; S353-D356 PolarHBondContact OG-OD1 2.76Å
354	L	94.6	Very high	88	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-58.1	-30	173.3	-178.2	143.5	0	0	0	112.4	I352 D356 C357 I420 K421 I472 L478 I530 A531 L532	I352-L354 PolarHBondContact O-N 3.34Å; L354-D356 PolarHBondContact O-N 3.37Å; L354-C357 WeakPolarHBondContact O-CB 3.35Å; L354-C357 PolarHBondContact O-N 3.36Å; L354-I420 HydrophobicContact CD1-CG2 4.47Å; L354-I420 WeakPolarHBondContact CD2-O 3.37Å; L354-I420 HydrophobicContact CG-CG2 4.17Å; L354-K421 WeakPolarHBondContact O-CA 3.3Å; L354-K421 WeakPolarHBondContact O-CB 3.24Å; L354-I472 HydrophobicContact CD1-CD1 4.07Å; L354-I472 HydrophobicContact CD1-CG1 4.5Å; L354-L478 HydrophobicContact CD1-CB 4.39Å; L354-L478 HydrophobicContact CD1-CD1 4.38Å; L354-I530 HydrophobicContact CB-CG2 3.7Å; L354-I530 HydrophobicContact CD1-CG2 4.31Å; L354-I530 HydrophobicContact CG-CG2 4.18Å; L354-A531 WeakPolarHBondContact CB-O 3.09Å; L354-A531 PolarHBondContact N-O 3.26Å; L354-L532 HydrophobicContact CD1-CB 4.48Å; L354-L532 HydrophobicContact CD2-CD1 4Å
355	W	93.1	Very high	89	Confident	49 Å²	49	53.3 Å²	53.3	19%	0.186	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-71	-17.4	-179.3	-65.8	-18.6	0	0	0	114.3	H336 S353 C357 P533 H535 Q604	H336-W355 HydrophobicContact CB-CE3 3.58Å; H336-W355 HydrophobicContact CB-CZ3 3.7Å; H336-W355 AromaticContact CG-CE3 3.72Å; H336-W355 AromaticContact ND1-CE3 3.86Å; S353-W355 PolarHBondContact O-N 3.16Å; S353-W355 PolarHBondContact OG-N 2.86Å; W355-C357 VanDerWaalsContact C-N 3.26Å; W355-P533 HydrophobicContact CD2-CG 3.97Å; W355-P533 HydrophobicContact CE3-CB 4.29Å; W355-P533 HydrophobicContact CE3-CG 4.06Å; W355-P533 HydrophobicContact CG-CG 4.28Å; W355-P533 HydrophobicContact CH2-CB 4.36Å; W355-P533 HydrophobicContact CZ3-CB 4.2Å; W355-P533 HydrophobicContact CZ3-CG 4.47Å; W355-H535 HydrophobicContact CH2-CB 4.47Å; W355-H535 AromaticContact CH2-ND1 3.55Å; W355-Q604 HydrophobicContact CD2-CG 4.24Å; W355-Q604 HydrophobicContact CG-CG 4.12Å
356	D	92.9	Very high	90.1	Very high	25 Å²	25	52 Å²	52	13%	0.134	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-80.7	-16.2	177.7	-55.6	27.6	0	0	0	110.2	H336 T340 I341 S353 L354 N358	H336-D356 IonicContact CE1-OD1 2.72Å; H336-D356 PolarHBondContact CE1-OD1 2.89Å; H336-D356 IonicContact ND1-OD1 2.73Å; H336-D356 PolarHBondContact ND1-OD1 3.11Å; T340-D356 WeakPolarHBondContact CA-OD2 3.35Å; T340-D356 WeakPolarHBondContact CB-OD2 3.16Å; T340-D356 PolarHBondContact OG1-OD2 2.94Å; I341-D356 HydrophobicContact CG1-CB 4.39Å; I341-D356 PolarHBondContact N-OD2 3Å; S353-D356 WeakPolarHBondContact CB-OD1 3.48Å; S353-D356 PolarHBondContact O-N 3.36Å; S353-D356 PolarHBondContact OG-OD1 2.76Å; L354-D356 PolarHBondContact O-N 3.37Å; D356-N358 PolarHBondContact O-N 3.45Å; D356-N358 VanDerWaalsContact O-N 3.07Å
357	C	93.6	Very high	91.2	Very high	21 Å²	21	45.6 Å²	45.6	14%	0.142	20%	0.204	C	C	.	.			trans	-83	87.2	-173.3	-62.6	0	0	0	0	111.9	L354 W355 R359 I420 K421	L354-C357 WeakPolarHBondContact O-CB 3.35Å; L354-C357 PolarHBondContact O-N 3.36Å; W355-C357 VanDerWaalsContact C-N 3.26Å; C357-R359 VanDerWaalsContact C-N 3.29Å; C357-R359 PolarHBondContact O-N 2.84Å; C357-I420 HydrophobicContact CB-CB 3.84Å; C357-I420 HydrophobicContact CB-CD1 4.48Å; C357-I420 HydrophobicContact CB-CG2 3.62Å; C357-K421 PolarHBondContact O-N 3.4Å; C357-K421 VanDerWaalsContact O-N 3.13Å
358	N	93.8	Very high	92.3	Very high	96 Å²	96	37.4 Å²	37.4	51%	0.513	17%	0.165	S	C	.	.			trans	-79	-0.9	-178.8	-77.2	-60.7	0	0	0	115.6	D356 K421	D356-N358 PolarHBondContact O-N 3.45Å; D356-N358 VanDerWaalsContact O-N 3.07Å; N358-K421 WeakPolarHBondContact OD1-CD 3.27Å; N358-K421 WeakPolarHBondContact OD1-CE 3.33Å; N358-K421 PolarHBondContact OD1-NZ 2.75Å
359	R	95.3	Very high	93.5	Very high	115 Å²	115	33.4 Å²	33.4	43%	0.434	16%	0.155	S	C	.	.	S	Bend	trans	-73.5	150.2	179.5	-166.2	-173	179.8	173.1	8.1	111.4	C357 R362 K419 I420 D524	C357-R359 VanDerWaalsContact C-N 3.29Å; C357-R359 PolarHBondContact O-N 2.84Å; R359-R362 VanDerWaalsContact NH2-NH1 3.18Å; R359-R362 VanDerWaalsContact NH2-NH2 3.16Å; R359-K419 CarbonylContact O-C 3.59Å; R359-K419 VanDerWaalsContact O-CA 3.31Å; R359-K419 WeakPolarHBondContact O-CA 3.22Å; R359-I420 HydrophobicContact CB-CD1 4.2Å; R359-I420 PolarHBondContact O-N 2.98Å; R359-D524 IonicContact CZ-OD2 2.93Å; R359-D524 IonicContact NH1-OD1 3.99Å; R359-D524 IonicContact NH1-OD2 3.32Å
360	K	97.6	Very high	94.3	Very high	79 Å²	79	33.6 Å²	33.6	34%	0.343	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	139.4	167.4	-71.7	-175.1	170.1	-164.9	0	111.1	E415 D417 I418	K360-E415 HydrophobicContact CB-CG 3.76Å; K360-E415 HydrophobicContact CD-CG 4.29Å; K360-D417 WeakPolarHBondContact CE-OD1 3.42Å; K360-D417 IonicContact NZ-OD1 2.73Å; K360-D417 PolarHBondContact NZ-OD1 2.7Å; K360-I418 CarbonylContact C-O 3.53Å; K360-I418 WeakPolarHBondContact CA-O 3.39Å
361	F	98.3	Very high	94.6	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.022	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	142.8	174	176.8	-93.6	0	0	0	110.2	I387 F416 I418 I420 L423 L471 L523	F361-I387 HydrophobicContact CD1-CD1 3.57Å; F361-I387 HydrophobicContact CE1-CD1 4.03Å; F361-I387 HydrophobicContact CG-CD1 4.38Å; F361-F416 AromaticContact CD1-CD2 3.54Å; F361-F416 HydrophobicContact CD1-CD2 3.54Å; F361-F416 AromaticContact CD1-CE2 3.94Å; F361-F416 HydrophobicContact CD1-CE2 3.94Å; F361-F416 HydrophobicContact CD1-CG 4.27Å; F361-F416 AromaticContact CE1-CD2 3.95Å; F361-F416 HydrophobicContact CE1-CD2 3.95Å; F361-F416 AromaticContact CE1-CE2 3.84Å; F361-F416 HydrophobicContact CE1-CE2 3.84Å; F361-F416 PolarHBondContact O-N 3.25Å; F361-I418 HydrophobicContact CB-CG2 4.27Å; F361-I418 PolarHBondContact N-O 3.31Å; F361-I420 HydrophobicContact CB-CG1 4.23Å; F361-L423 HydrophobicContact CB-CD1 4.43Å; F361-L423 HydrophobicContact CD2-CD1 3.91Å; F361-L423 HydrophobicContact CG-CD1 4.31Å; F361-L471 HydrophobicContact CE1-CD1 4.49Å; F361-L471 HydrophobicContact CE1-CD2 4.18Å; F361-L471 HydrophobicContact CE2-CD2 3.81Å; F361-L471 HydrophobicContact CZ-CD1 4.31Å; F361-L471 HydrophobicContact CZ-CD2 3.39Å; F361-L523 HydrophobicContact CE2-CD2 4.22Å; F361-L523 HydrophobicContact CZ-CD2 3.74Å
362	R	97.8	Very high	94.5	Very high	53 Å²	53	38.7 Å²	38.7	20%	0.2	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	151.7	176	61.9	176.7	-170	165.7	9	111.6	R359 W413 L414 E415 D524	R359-R362 VanDerWaalsContact NH2-NH1 3.18Å; R359-R362 VanDerWaalsContact NH2-NH2 3.16Å; R362-W413 HydrophobicContact CB-CE3 4.08Å; R362-W413 HydrophobicContact CB-CZ3 4.49Å; R362-W413 HydrophobicContact CG-CE3 3.66Å; R362-W413 HydrophobicContact CG-CZ3 3.74Å; R362-L414 CarbonylContact C-O 3.49Å; R362-L414 WeakPolarHBondContact CA-O 3.47Å; R362-L414 WeakPolarHBondContact CB-O 3.33Å; R362-E415 HydrophobicContact CB-CB 4.07Å; R362-E415 HydrophobicContact CB-CG 4.29Å; R362-D524 WeakPolarHBondContact CG-OD2 3.37Å; R362-D524 IonicContact CZ-OD1 2.68Å; R362-D524 VanDerWaalsContact CZ-OD1 3.29Å; R362-D524 IonicContact CZ-OD2 3.88Å; R362-D524 IonicContact NE-OD1 3.12Å; R362-D524 PolarHBondContact NE-OD1 3.02Å; R362-D524 IonicContact NE-OD2 3.95Å; R362-D524 PolarHBondContact NE-OD2 3.37Å; R362-D524 IonicContact NH2-OD1 2.72Å; R362-D524 PolarHBondContact NH2-OD1 2.71Å; R362-D524 IonicContact NH2-OD2 3.91Å
363	V	98.4	Very high	93.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	141.7	172.8	66.1	0	0	0	0	109.2	I365 L414 F416 L429 I521 L523	V363-I365 HydrophobicContact CG1-CD1 4.11Å; V363-I365 HydrophobicContact CG2-CD1 4.39Å; V363-L414 HydrophobicContact CG1-CB 4.2Å; V363-L414 PolarHBondContact N-O 3.15Å; V363-L414 PolarHBondContact O-N 3.37Å; V363-F416 HydrophobicContact CG1-CE2 3.73Å; V363-F416 HydrophobicContact CG1-CZ 4.21Å; V363-L429 HydrophobicContact CB-CD2 4.42Å; V363-L429 HydrophobicContact CG2-CD2 4.12Å; V363-I521 HydrophobicContact CG2-CB 4.01Å; V363-I521 HydrophobicContact CG2-CD1 4.22Å; V363-I521 HydrophobicContact CG2-CG2 4.45Å; V363-L523 HydrophobicContact CB-CD2 4.07Å; V363-L523 HydrophobicContact CG2-CD2 3.78Å
364	K	98.6	Very high	93.1	Very high	45 Å²	45	42.3 Å²	42.3	20%	0.196	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.8	171.2	-158.7	-178.5	179.9	-163.9	0	109.4	I366 N411 V412 W413 I521 V522	K364-I366 HydrophobicContact CD-CD1 3.74Å; K364-I366 HydrophobicContact CG-CD1 4.08Å; K364-N411 WeakPolarHBondContact CE-OD1 3.46Å; K364-N411 PolarHBondContact NZ-OD1 2.86Å; K364-V412 CarbonylContact C-O 3.56Å; K364-V412 WeakPolarHBondContact CA-O 3.3Å; K364-W413 HydrophobicContact CB-CD2 3.75Å; K364-W413 HydrophobicContact CB-CE3 3.76Å; K364-W413 HydrophobicContact CB-CG 4.39Å; K364-W413 HydrophobicContact CB-CH2 4.05Å; K364-W413 HydrophobicContact CB-CZ2 4.03Å; K364-W413 HydrophobicContact CB-CZ3 3.91Å; K364-W413 HydrophobicContact CD-CD2 4.31Å; K364-W413 HydrophobicContact CD-CZ2 3.96Å; K364-W413 HydrophobicContact CG-CD2 3.94Å; K364-W413 HydrophobicContact CG-CE3 4.45Å; K364-W413 HydrophobicContact CG-CG 4.15Å; K364-W413 HydrophobicContact CG-CZ2 4.36Å; K364-I521 CarbonylContact O-C 3.57Å; K364-I521 WeakPolarHBondContact O-CA 3.25Å; K364-I521 WeakPolarHBondContact O-CB 3.26Å; K364-V522 HydrophobicContact CB-CB 3.92Å; K364-V522 HydrophobicContact CB-CG2 4.45Å; K364-V522 HydrophobicContact CD-CG2 4.48Å; K364-V522 PolarHBondContact N-O 3.14Å; K364-V522 PolarHBondContact O-N 3.25Å
365	I	98.6	Very high	91.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	110.9	170.4	-53.6	-55.4	0	0	0	107.3	V363 V383 T399 W410 N411 V412 L414 L431 I519 I521	V363-I365 HydrophobicContact CG1-CD1 4.11Å; V363-I365 HydrophobicContact CG2-CD1 4.39Å; I365-V383 HydrophobicContact CD1-CG1 4.34Å; I365-V383 HydrophobicContact CG1-CG1 4.5Å; I365-V383 HydrophobicContact CG2-CB 4.42Å; I365-V383 HydrophobicContact CG2-CG1 4.49Å; I365-V383 HydrophobicContact CG2-CG2 4.15Å; I365-T399 HydrophobicContact CB-CG2 4.16Å; I365-T399 HydrophobicContact CG1-CG2 4.07Å; I365-T399 HydrophobicContact CG2-CG2 4.24Å; I365-W410 HydrophobicContact CG2-CB 4.45Å; I365-W410 HydrophobicContact CG2-CE3 4.18Å; I365-N411 CarbonylContact O-C 3.56Å; I365-N411 VanDerWaalsContact O-CA 3.23Å; I365-N411 WeakPolarHBondContact O-CA 3.49Å; I365-N411 PolarHBondContact O-N 2.99Å; I365-V412 PolarHBondContact N-O 3.21Å; I365-V412 PolarHBondContact O-N 3.1Å; I365-L414 HydrophobicContact CD1-CD1 4.36Å; I365-L414 HydrophobicContact CG1-CD1 3.66Å; I365-L414 HydrophobicContact CG1-CG 4.12Å; I365-L431 HydrophobicContact CD1-CD2 4.11Å; I365-I519 HydrophobicContact CG2-CD1 4.49Å; I365-I521 HydrophobicContact CD1-CG2 3.78Å
366	I	98.4	Very high	90.7	Very high	49 Å²	49	56.9 Å²	56.9	25%	0.251	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-58.6	178.4	-59.2	-59.4	0	0	0	109.1	K364 L409 W410 N411 S520 V522	K364-I366 HydrophobicContact CD-CD1 3.74Å; K364-I366 HydrophobicContact CG-CD1 4.08Å; I366-L409 CarbonylContact O-C 3.29Å; I366-L409 WeakPolarHBondContact O-CA 3.5Å; I366-W410 PolarHBondContact O-N 2.96Å; I366-N411 PolarHBondContact O-N 3.43Å; I366-S520 WeakPolarHBondContact CB-O 3.49Å; I366-S520 PolarHBondContact N-O 3.1Å; I366-V522 HydrophobicContact CD1-CG2 3.78Å; I366-V522 HydrophobicContact CG1-CG2 3.75Å
367	G	97.5	Very high	89.1	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-180	-179.7	-177.5	0	0	0	0	0	112.7	V408 S520	G367-V408 CarbonylContact C-O 3.6Å; G367-V408 WeakPolarHBondContact CA-O 3.32Å; G367-S520 PolarHBondContact N-O 2.86Å; G367-S520 PolarHBondContact O-N 3.32Å
368	I	97.3	Very high	88.2	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.7	173.9	64.4	178	0	0	0	109.6	V381 V383 E407 V408 W410 I433 M517 A518 I519	I368-V381 HydrophobicContact CD1-CG2 4.28Å; I368-V383 HydrophobicContact CG2-CG2 4.2Å; I368-E407 WeakPolarHBondContact O-CA 3.49Å; I368-V408 HydrophobicContact CD1-CB 4.17Å; I368-V408 HydrophobicContact CD1-CG2 4.31Å; I368-V408 HydrophobicContact CG1-CB 3.78Å; I368-V408 HydrophobicContact CG1-CG2 4.26Å; I368-V408 PolarHBondContact N-O 3.07Å; I368-V408 PolarHBondContact O-N 3.09Å; I368-W410 HydrophobicContact CD1-CH2 3.97Å; I368-W410 HydrophobicContact CD1-CZ3 3.95Å; I368-W410 HydrophobicContact CG1-CH2 4.36Å; I368-W410 HydrophobicContact CG1-CZ3 3.87Å; I368-W410 HydrophobicContact CG2-CZ3 4.06Å; I368-I433 HydrophobicContact CB-CD1 4.26Å; I368-I433 HydrophobicContact CD1-CD1 3.95Å; I368-I433 HydrophobicContact CD1-CG2 4.45Å; I368-I433 HydrophobicContact CG2-CD1 3.75Å; I368-I433 HydrophobicContact CG2-CG1 4.45Å; I368-M517 HydrophobicContact CB-SD 3.73Å; I368-M517 HydrophobicContact CD1-CE 4.05Å; I368-M517 HydrophobicContact CD1-SD 4.21Å; I368-M517 HydrophobicContact CG1-SD 4.17Å; I368-A518 CarbonylContact C-O 3.55Å; I368-A518 VanDerWaalsContact CA-O 3.23Å; I368-A518 WeakPolarHBondContact CA-O 3.32Å; I368-I519 HydrophobicContact CG2-CB 4.03Å; I368-I519 HydrophobicContact CG2-CD1 4.1Å; I368-I519 HydrophobicContact CG2-CG1 3.85Å
369	D	95.8	Very high	87.8	Confident	61 Å²	61	62.8 Å²	62.8	33%	0.326	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.5	-177.5	-60.9	-79.1	0	0	0	109.3	E406 M517 A518	D369-E406 CarbonylContact C-O 3.57Å; D369-E406 WeakPolarHBondContact CA-O 3.43Å; D369-M517 CarbonylContact O-C 3.46Å; D369-M517 WeakPolarHBondContact O-CA 3.41Å; D369-A518 PolarHBondContact N-O 2.95Å; D369-A518 PolarHBondContact O-N 2.73Å
370	I	92	Very high	87.6	Confident	12 Å²	12	58.8 Å²	58.8	6%	0.062	30%	0.299	C	S	.	.			trans	-130.1	128.1	174.3	-170.7	169	0	0	0	111.5	V372 L373 F404 E406 Y465 M517	I370-V372 VanDerWaalsContact C-N 3.33Å; I370-V372 WeakPolarHBondContact CD1-O 2.98Å; I370-V372 WeakPolarHBondContact CG1-O 3.47Å; I370-V372 PolarHBondContact O-N 2.79Å; I370-L373 HydrophobicContact CG2-CD2 4.07Å; I370-F404 HydrophobicContact CG2-CE2 4.06Å; I370-F404 HydrophobicContact CG2-CZ 4.48Å; I370-E406 PolarHBondContact N-O 3.45Å; I370-Y465 HydrophobicContact CD1-CE2 4.32Å; I370-Y465 VanDerWaalsContact CD1-OH 3.27Å; I370-Y465 WeakPolarHBondContact CD1-OH 3.49Å; I370-M517 HydrophobicContact CB-CB 4.48Å; I370-M517 HydrophobicContact CB-CE 3.56Å; I370-M517 HydrophobicContact CB-SD 3.76Å; I370-M517 HydrophobicContact CD1-CB 4.43Å; I370-M517 HydrophobicContact CD1-CE 3.92Å; I370-M517 HydrophobicContact CG1-CB 4.47Å; I370-M517 HydrophobicContact CG1-CE 4.24Å; I370-M517 HydrophobicContact CG2-CE 3.82Å; I370-M517 HydrophobicContact CG2-SD 4.43Å
371	P	85.7	Confident	87.4	Confident	63 Å²	63	55 Å²	55	41%	0.409	28%	0.283	S	S	.	.	S	Bend	trans	-62.8	-33.9	-179.9	-25.3	34	0	0	0	114.5	E514 S516	P371-E514 WeakPolarHBondContact CG-O 3.43Å; P371-S516 WeakPolarHBondContact CD-O 3.23Å
372	V	83.7	Confident	87.4	Confident	108 Å²	108	55.7 Å²	55.7	66%	0.655	29%	0.286	S	S	*	.	S	Bend	trans	-136.5	118.7	-177.2	-177.2	0	0	0	0	110.5	I370	I370-V372 VanDerWaalsContact C-N 3.33Å; I370-V372 WeakPolarHBondContact CD1-O 2.98Å; I370-V372 WeakPolarHBondContact CG1-O 3.47Å; I370-V372 PolarHBondContact O-N 2.79Å
373	L	77.8	Confident	87.3	Confident	60 Å²	60	53.2 Å²	53.2	31%	0.314	28%	0.277	S	S	.	.			trans	-71.1	148.9	177.4	-79.2	166.4	0	0	0	112.9	I370 F404 E406	I370-L373 HydrophobicContact CG2-CD2 4.07Å; L373-F404 HydrophobicContact CD2-CD2 3.81Å; L373-F404 HydrophobicContact CD2-CE2 3.96Å; L373-F404 HydrophobicContact CD2-CG 4.14Å; L373-F404 HydrophobicContact CD2-CZ 4.43Å; L373-E406 HydrophobicContact CD1-CG 3.75Å; L373-E406 HydrophobicContact CG-CG 3.94Å
374	P	74	Confident	87.3	Confident	46 Å²	46	53.6 Å²	53.6	30%	0.299	28%	0.278	S	S	.	.			trans	-58.1	146.5	166	-19.9	31.8	0	0	0	111.1	N376 L379 F404	P374-N376 PolarHBondContact O-N 2.82Å; P374-L379 HydrophobicContact CB-CD1 4.43Å; P374-F404 HydrophobicContact CG-CD1 4.3Å; P374-F404 HydrophobicContact CG-CE1 3.67Å; P374-F404 HydrophobicContact CG-CZ 4.34Å
375	R	69.3	Low	87.3	Confident	261 Å²	261	51.4 Å²	51.4	99%	0.985	27%	0.269	S	S	*	.	S	Bend	trans	-59.5	-1.2	-174	-64.9	-177.6	179.4	177.1	-0.2	116.4
376	N	68.9	Low	87.2	Confident	93 Å²	93	51.6 Å²	51.6	50%	0.497	27%	0.27	S	S	.	.			trans	-112.6	115.9	-173.9	-153.4	-5.1	0	0	0	109.8	P374 L379	P374-N376 PolarHBondContact O-N 2.82Å; N376-L379 HydrophobicContact CB-CD1 3.97Å; N376-L379 HydrophobicContact CB-CG 4.18Å; N376-L379 WeakPolarHBondContact O-CD1 3.42Å; N376-L379 WeakPolarHBondContact O-CG 3.43Å
377	T	59	Low	87.2	Confident	126 Å²	126	49.3 Å²	49.3	77%	0.773	26%	0.258	S	S	*	.	S	Bend	trans	-84.1	-13.5	-167.9	50.7	0	0	0	0	114.5	L379	T377-L379 PolarHBondContact O-N 3.2Å
378	D	73.6	Confident	87	Confident	115 Å²	115	51 Å²	51	62%	0.615	27%	0.266	S	S	*	.	S	Bend	trans	-100.2	38.7	-175.8	-61.8	-22.1	0	0	0	113	A438	D378-A438 PolarHBondContact O-N 2.94Å
379	L	86.3	Confident	86.9	Confident	25 Å²	25	51.2 Å²	51.2	13%	0.131	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	141.8	-178	-63.9	179.7	0	0	0	111.3	P374 N376 T377 F404	P374-L379 HydrophobicContact CB-CD1 4.43Å; N376-L379 HydrophobicContact CB-CD1 3.97Å; N376-L379 HydrophobicContact CB-CG 4.18Å; N376-L379 WeakPolarHBondContact O-CD1 3.42Å; N376-L379 WeakPolarHBondContact O-CG 3.43Å; T377-L379 PolarHBondContact O-N 3.2Å; L379-F404 HydrophobicContact CB-CB 4.05Å; L379-F404 HydrophobicContact CB-CD1 4.31Å; L379-F404 HydrophobicContact CD1-CD1 4.46Å; L379-F404 WeakPolarHBondContact O-CB 3.37Å; L379-F404 PolarHBondContact O-N 2.98Å
380	T	91.4	Very high	86.5	Confident	32 Å²	32	48.4 Å²	48.4	20%	0.196	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	144.7	169.9	58.2	0	0	0	0	109.3	K402 C435 G436 A438	T380-K402 CarbonylContact C-O 3.58Å; T380-K402 WeakPolarHBondContact CA-O 3.24Å; T380-C435 CarbonylContact O-C 3.34Å; T380-C435 VanDerWaalsContact O-CA 3.28Å; T380-C435 WeakPolarHBondContact O-CA 3.27Å; T380-G436 PolarHBondContact N-O 2.97Å; T380-G436 PolarHBondContact O-N 3.36Å; T380-G436 PolarHBondContact OG1-O 2.9Å; T380-A438 HydrophobicContact CG2-CB 4.02Å
381	V	94	Very high	86	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.7	179.1	-72	0	0	0	0	111.8	I368 S401 K402 F404 V408 W410 I433 Y434 C435	I368-V381 HydrophobicContact CD1-CG2 4.28Å; V381-S401 CarbonylContact O-C 3.55Å; V381-S401 WeakPolarHBondContact O-CA 3.49Å; V381-K402 PolarHBondContact N-O 3.26Å; V381-K402 PolarHBondContact O-N 3.35Å; V381-F404 HydrophobicContact CB-CB 4.47Å; V381-F404 HydrophobicContact CB-CD2 4.47Å; V381-F404 HydrophobicContact CB-CG 4.34Å; V381-F404 HydrophobicContact CG1-CB 3.76Å; V381-F404 HydrophobicContact CG1-CD1 3.42Å; V381-F404 VanDerWaalsContact CG1-CD1 3.42Å; V381-F404 HydrophobicContact CG1-CD2 3.78Å; V381-F404 HydrophobicContact CG1-CE1 3.86Å; V381-F404 HydrophobicContact CG1-CE2 4.2Å; V381-F404 HydrophobicContact CG1-CG 3.37Å; V381-F404 HydrophobicContact CG1-CZ 4.23Å; V381-F404 HydrophobicContact CG2-CB 4Å; V381-F404 HydrophobicContact CG2-CD2 3.89Å; V381-F404 HydrophobicContact CG2-CG 4.03Å; V381-V408 HydrophobicContact CG2-CG2 4.22Å; V381-W410 HydrophobicContact CG2-CH2 4.21Å; V381-I433 HydrophobicContact CB-CG2 4.31Å; V381-I433 HydrophobicContact CG1-CG2 4.25Å; V381-Y434 WeakPolarHBondContact CA-O 3.08Å; V381-C435 HydrophobicContact CG1-CB 4.18Å
382	F	96.3	Very high	86.2	Confident	19 Å²	19	53.7 Å²	53.7	8%	0.083	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.7	167.4	64.6	-89.1	0	0	0	110	E384 R398 Y434 T461	F382-E384 HydrophobicContact CE2-CB 4.35Å; F382-R398 HydrophobicContact CD2-CB 4.41Å; F382-R398 HydrophobicContact CD2-CG 4.35Å; F382-R398 HydrophobicContact CE2-CG 4.23Å; F382-Y434 HydrophobicContact CE1-CG 4.39Å; F382-Y434 AromaticContact CE2-CD2 3.89Å; F382-Y434 HydrophobicContact CE2-CD2 3.89Å; F382-Y434 AromaticContact CE2-CG 3.97Å; F382-Y434 HydrophobicContact CE2-CG 3.97Å; F382-Y434 HydrophobicContact CZ-CD1 4.42Å; F382-Y434 HydrophobicContact CZ-CD2 4.12Å; F382-Y434 AromaticContact CZ-CG 3.72Å; F382-Y434 HydrophobicContact CZ-CG 3.72Å; F382-Y434 PolarHBondContact N-O 3.01Å; F382-Y434 VanDerWaalsContact N-O 3.09Å; F382-Y434 PolarHBondContact O-N 3.29Å; F382-T461 HydrophobicContact CE1-CG2 4.19Å
383	V	97.4	Very high	86.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.6	174.5	179.5	0	0	0	0	108.3	I365 I368 R398 T399 W410 Q432 I433 I519	I365-V383 HydrophobicContact CD1-CG1 4.34Å; I365-V383 HydrophobicContact CG1-CG1 4.5Å; I365-V383 HydrophobicContact CG2-CB 4.42Å; I365-V383 HydrophobicContact CG2-CG1 4.49Å; I365-V383 HydrophobicContact CG2-CG2 4.15Å; I368-V383 HydrophobicContact CG2-CG2 4.2Å; V383-R398 CarbonylContact O-C 3.55Å; V383-R398 VanDerWaalsContact O-CA 3.31Å; V383-R398 WeakPolarHBondContact O-CA 3.43Å; V383-T399 HydrophobicContact CB-CG2 4.03Å; V383-T399 PolarHBondContact N-OG1 3.37Å; V383-T399 PolarHBondContact O-N 2.84Å; V383-W410 HydrophobicContact CG2-CE3 4.1Å; V383-W410 HydrophobicContact CG2-CH2 3.91Å; V383-W410 HydrophobicContact CG2-CZ3 3.65Å; V383-Q432 CarbonylContact C-O 3.48Å; V383-Q432 WeakPolarHBondContact CA-O 3.49Å; V383-I433 HydrophobicContact CG2-CG1 4.49Å; V383-I519 HydrophobicContact CG1-CD1 3.86Å; V383-I519 HydrophobicContact CG2-CD1 4.14Å
384	E	97.9	Very high	87.6	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.037	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.7	165.5	-176.2	177.2	98.9	0	0	108.9	F382 N386 Q396 R398 Q432 Y434	F382-E384 HydrophobicContact CE2-CB 4.35Å; E384-N386 PolarHBondContact OE1-ND2 2.95Å; E384-Q396 HydrophobicContact CG-CG 4.34Å; E384-Q396 PolarHBondContact OE1-NE2 2.82Å; E384-Q396 VanDerWaalsContact OE1-NE2 3.11Å; E384-Q396 PolarHBondContact OE2-NE2 3.29Å; E384-R398 HydrophobicContact CB-CG 4.11Å; E384-R398 HydrophobicContact CG-CG 3.95Å; E384-R398 IonicContact OE2-CZ 3.92Å; E384-R398 IonicContact OE2-NE 3.47Å; E384-R398 PolarHBondContact OE2-NE 2.96Å; E384-R398 IonicContact OE2-NH2 2.72Å; E384-R398 PolarHBondContact OE2-NH2 3.32Å; E384-Q432 HydrophobicContact CB-CB 4.33Å; E384-Q432 PolarHBondContact N-O 3.32Å; E384-Q432 PolarHBondContact O-N 3.26Å; E384-Y434 HydrophobicContact CB-CD2 3.9Å; E384-Y434 HydrophobicContact CB-CE2 3.83Å; E384-Y434 HydrophobicContact CG-CE2 4.41Å
385	A	98	Very high	88.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.1	176.9	0	0	0	0	0	109.1	Q396 R397 L414 F416 L429 N430 L431	A385-Q396 WeakPolarHBondContact O-CA 3.37Å; A385-R397 PolarHBondContact N-O 3.5Å; A385-R397 PolarHBondContact O-N 2.9Å; A385-L414 HydrophobicContact CB-CD1 3.98Å; A385-F416 HydrophobicContact CB-CE1 4.32Å; A385-F416 HydrophobicContact CB-CZ 3.73Å; A385-F416 WeakPolarHBondContact O-CE1 3.26Å; A385-L429 HydrophobicContact CB-CD1 4.37Å; A385-N430 WeakPolarHBondContact CA-O 3.32Å; A385-L431 HydrophobicContact CB-CD2 3.66Å
386	N	97.4	Very high	90	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.3	-175.3	-61.2	-50.8	0	0	0	109.4	E384 Q388 L393 Q396 L429 N430	E384-N386 PolarHBondContact OE1-ND2 2.95Å; N386-Q388 HydrophobicContact CB-CG 4.18Å; N386-L393 HydrophobicContact CB-CD1 3.78Å; N386-Q396 WeakPolarHBondContact OD1-CG 3.32Å; N386-Q396 PolarHBondContact OD1-NE2 3.37Å; N386-L429 CarbonylContact O-C 3.57Å; N386-L429 WeakPolarHBondContact O-CA 3.09Å; N386-N430 HydrophobicContact CB-CB 4.17Å; N386-N430 PolarHBondContact N-O 3.12Å; N386-N430 PolarHBondContact ND2-OD1 3.33Å; N386-N430 PolarHBondContact O-N 3.34Å
387	I	97.8	Very high	91.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	118	166.7	-60.4	174.8	0	0	0	107.1	F361 L394 S395 F416 I418 L423 L428 L471	F361-I387 HydrophobicContact CD1-CD1 3.57Å; F361-I387 HydrophobicContact CE1-CD1 4.03Å; F361-I387 HydrophobicContact CG-CD1 4.38Å; I387-L394 HydrophobicContact CB-CB 4.44Å; I387-L394 HydrophobicContact CG2-CB 4.14Å; I387-L394 HydrophobicContact CG2-CD1 4.15Å; I387-L394 WeakPolarHBondContact O-CB 3.25Å; I387-L394 PolarHBondContact O-N 3.32Å; I387-S395 PolarHBondContact N-O 3.03Å; I387-S395 PolarHBondContact O-N 3.06Å; I387-F416 HydrophobicContact CD1-CB 3.84Å; I387-F416 HydrophobicContact CD1-CD1 3.64Å; I387-F416 HydrophobicContact CD1-CD2 3.94Å; I387-F416 HydrophobicContact CD1-CE1 4.08Å; I387-F416 HydrophobicContact CD1-CE2 4.34Å; I387-F416 HydrophobicContact CD1-CG 3.54Å; I387-F416 HydrophobicContact CD1-CZ 4.4Å; I387-F416 HydrophobicContact CG1-CD1 3.87Å; I387-F416 HydrophobicContact CG1-CE1 3.86Å; I387-F416 HydrophobicContact CG1-CG 4.25Å; I387-F416 HydrophobicContact CG1-CZ 4.23Å; I387-I418 HydrophobicContact CD1-CG2 3.5Å; I387-I418 VanDerWaalsContact CD1-CG2 3.5Å; I387-L423 HydrophobicContact CD1-CD2 4.5Å; I387-L423 HydrophobicContact CG2-CD2 4.16Å; I387-L428 WeakPolarHBondContact CA-O 3.12Å; I387-L471 HydrophobicContact CG1-CD1 4.42Å; I387-L471 HydrophobicContact CG2-CD1 4.09Å
388	Q	94.3	Very high	93.2	Very high	38 Å²	38	41.2 Å²	41.2	18%	0.178	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	150.5	-174.2	-66.4	178.2	-28.4	0	0	111.1	N386 Q392 L393 A427 L428	N386-Q388 HydrophobicContact CB-CG 4.18Å; Q388-Q392 WeakPolarHBondContact CA-O 3.41Å; Q388-L393 HydrophobicContact CG-CD1 4.15Å; Q388-A427 CarbonylContact O-C 3.55Å; Q388-A427 WeakPolarHBondContact O-CA 3.16Å; Q388-L428 PolarHBondContact N-O 3.33Å; Q388-L428 PolarHBondContact O-N 2.84Å
389	H	94	Very high	94.4	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.019	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	113.2	169.8	-179.8	-96.8	0	0	0	108.4	Q392 L394 P424 K425 W601	H389-Q392 PolarHBondContact N-O 2.94Å; H389-Q392 WeakPolarHBondContact O-CB 3.23Å; H389-Q392 PolarHBondContact O-N 3.06Å; H389-L394 HydrophobicContact CB-CD1 3.96Å; H389-L394 HydrophobicContact CB-CG 4.34Å; H389-P424 HydrophobicContact CB-CG 4.08Å; H389-K425 PolarHBondContact CD2-O 3.46Å; H389-K425 PolarHBondContact NE2-O 2.91Å; H389-W601 AromaticContact CE1-CD2 3.55Å; H389-W601 AromaticContact CE1-CE3 3.72Å; H389-W601 AromaticContact CE1-CG 3.71Å; H389-W601 AromaticContact ND1-CD1 3.8Å; H389-W601 AromaticContact ND1-CD2 3.78Å; H389-W601 AromaticContact ND1-CG 3.4Å
390	G	87.3	Confident	94.8	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.031	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-136.2	-159.3	0	0	0	0	0	110.3	Q392 C636 S639	G390-Q392 VanDerWaalsContact C-N 3.31Å; G390-C636 CarbonylContact C-O 3.38Å; G390-C636 WeakPolarHBondContact CA-O 3.4Å; G390-S639 WeakPolarHBondContact CA-OG 3.38Å; G390-S639 PolarHBondContact N-OG 3.36Å
391	Q	82.4	Confident	95	Very high	117 Å²	117	40.8 Å²	40.8	55%	0.547	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.9	170.8	-66.3	-147.5	-0.9	0	0	114.4	L393 C636	Q391-L393 PolarHBondContact O-N 3.08Å; Q391-C636 PolarHBondContact N-O 3.48Å; Q391-C636 PolarHBondContact NE2-SG 2.88Å
392	Q	89.5	Confident	95	Very high	69 Å²	69	44.3 Å²	44.3	32%	0.322	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	122.7	-177.8	-169.7	179.3	24.8	0	0	111.3	Q388 H389 G390 L394 W601	Q388-Q392 WeakPolarHBondContact CA-O 3.41Å; H389-Q392 PolarHBondContact N-O 2.94Å; H389-Q392 WeakPolarHBondContact O-CB 3.23Å; H389-Q392 PolarHBondContact O-N 3.06Å; G390-Q392 VanDerWaalsContact C-N 3.31Å; Q392-L394 HydrophobicContact CG-CD2 4.04Å; Q392-L394 PolarHBondContact O-N 2.97Å; Q392-W601 VanDerWaalsContact OE1-CD1 3.32Å
393	L	93.8	Very high	94.8	Very high	83 Å²	83	47.8 Å²	47.8	44%	0.435	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	117.6	168	-177.2	67.6	0	0	0	109.9	N386 Q388 Q391 Q396	N386-L393 HydrophobicContact CB-CD1 3.78Å; Q388-L393 HydrophobicContact CG-CD1 4.15Å; Q391-L393 PolarHBondContact O-N 3.08Å; L393-Q396 HydrophobicContact CD1-CB 4.34Å; L393-Q396 HydrophobicContact CD2-CB 4.2Å
394	L	96.3	Very high	94.5	Very high	35 Å²	35	48.5 Å²	48.5	18%	0.183	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-42	178.2	-55.8	-174.5	0	0	0	111.9	I387 H389 Q392 I418 P424	I387-L394 HydrophobicContact CB-CB 4.44Å; I387-L394 HydrophobicContact CG2-CB 4.14Å; I387-L394 HydrophobicContact CG2-CD1 4.15Å; I387-L394 WeakPolarHBondContact O-CB 3.25Å; I387-L394 PolarHBondContact O-N 3.32Å; H389-L394 HydrophobicContact CB-CD1 3.96Å; H389-L394 HydrophobicContact CB-CG 4.34Å; Q392-L394 HydrophobicContact CG-CD2 4.04Å; Q392-L394 PolarHBondContact O-N 2.97Å; L394-I418 HydrophobicContact CB-CD1 4.12Å; L394-I418 HydrophobicContact CD1-CD1 4.13Å; L394-P424 HydrophobicContact CD1-CG 4Å
395	S	97.3	Very high	94.2	Very high	11 Å²	11	51.4 Å²	51.4	8%	0.077	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	153	177.3	-156.2	0	0	0	0	111.4	I387 D417	I387-S395 PolarHBondContact N-O 3.03Å; I387-S395 PolarHBondContact O-N 3.06Å; S395-D417 PolarHBondContact OG-N 2.77Å
396	Q	97.4	Very high	93.8	Very high	67 Å²	67	57.3 Å²	57.3	31%	0.313	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.2	-176.3	171.5	173.3	65.5	0	0	111.7	E384 A385 N386 L393	E384-Q396 HydrophobicContact CG-CG 4.34Å; E384-Q396 PolarHBondContact OE1-NE2 2.82Å; E384-Q396 VanDerWaalsContact OE1-NE2 3.11Å; E384-Q396 PolarHBondContact OE2-NE2 3.29Å; A385-Q396 WeakPolarHBondContact O-CA 3.37Å; N386-Q396 WeakPolarHBondContact OD1-CG 3.32Å; N386-Q396 PolarHBondContact OD1-NE2 3.37Å; L393-Q396 HydrophobicContact CD1-CB 4.34Å; L393-Q396 HydrophobicContact CD2-CB 4.2Å
397	R	97.9	Very high	93.7	Very high	94 Å²	94	62.3 Å²	62.3	36%	0.355	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	157.1	173.7	-67.4	-62	177.7	-112	7.3	111.4	A385 L414 E415 F416	A385-R397 PolarHBondContact N-O 3.5Å; A385-R397 PolarHBondContact O-N 2.9Å; R397-L414 HydrophobicContact CB-CB 3.98Å; R397-L414 HydrophobicContact CB-CD1 4.14Å; R397-L414 HydrophobicContact CB-CD2 4.38Å; R397-L414 HydrophobicContact CB-CG 4.4Å; R397-L414 HydrophobicContact CG-CB 4.43Å; R397-E415 WeakPolarHBondContact CD-O 3.25Å; R397-E415 PolarHBondContact NE-O 2.58Å; R397-F416 HydrophobicContact CB-CD1 4.4Å; R397-F416 HydrophobicContact CB-CE1 4.09Å; R397-F416 HydrophobicContact CB-CZ 4.41Å; R397-F416 HydrophobicContact CG-CD1 3.82Å; R397-F416 HydrophobicContact CG-CE1 4.02Å; R397-F416 HydrophobicContact CG-CG 4.16Å
398	R	97.1	Very high	93.6	Very high	141 Å²	141	62.6 Å²	62.6	53%	0.532	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.6	179.4	-67.4	178.1	179.3	165.7	1.3	110.9	F382 V383 E384	F382-R398 HydrophobicContact CD2-CB 4.41Å; F382-R398 HydrophobicContact CD2-CG 4.35Å; F382-R398 HydrophobicContact CE2-CG 4.23Å; V383-R398 CarbonylContact O-C 3.55Å; V383-R398 VanDerWaalsContact O-CA 3.31Å; V383-R398 WeakPolarHBondContact O-CA 3.43Å; E384-R398 HydrophobicContact CB-CG 4.11Å; E384-R398 HydrophobicContact CG-CG 3.95Å; E384-R398 IonicContact OE2-CZ 3.92Å; E384-R398 IonicContact OE2-NE 3.47Å; E384-R398 PolarHBondContact OE2-NE 2.96Å; E384-R398 IonicContact OE2-NH2 2.72Å; E384-R398 PolarHBondContact OE2-NH2 3.32Å
399	T	98	Very high	93.8	Very high	15 Å²	15	64.9 Å²	64.9	9%	0.092	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-82.4	171.4	167	65.5	0	0	0	0	111.2	I365 V383 W410 L414	I365-T399 HydrophobicContact CB-CG2 4.16Å; I365-T399 HydrophobicContact CG1-CG2 4.07Å; I365-T399 HydrophobicContact CG2-CG2 4.24Å; V383-T399 HydrophobicContact CB-CG2 4.03Å; V383-T399 PolarHBondContact N-OG1 3.37Å; V383-T399 PolarHBondContact O-N 2.84Å; T399-W410 HydrophobicContact CG2-CD2 4.37Å; T399-W410 HydrophobicContact CG2-CG 4.08Å; T399-W410 PolarHBondContact OG1-NE1 3.27Å; T399-L414 HydrophobicContact CG2-CD1 4.07Å; T399-L414 HydrophobicContact CG2-CD2 4.28Å; T399-L414 HydrophobicContact CG2-CG 4.49Å
400	S	95.6	Very high	94	Very high	73 Å²	73	65.4 Å²	65.4	51%	0.51	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-71	148	170.7	51.7	0	0	0	0	111.3	W410	S400-W410 PolarHBondContact O-NE1 3.08Å
401	S	94.7	Very high	94.5	Very high	76 Å²	76	70 Å²	70	53%	0.531	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-68.2	135.3	173.9	-56.6	0	0	0	0	111.5	V381	V381-S401 CarbonylContact O-C 3.55Å; V381-S401 WeakPolarHBondContact O-CA 3.49Å
402	K	94.1	Very high	95.2	Very high	74 Å²	74	67.2 Å²	67.2	32%	0.322	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	158.8	175.7	-71.1	-166.4	175.2	-162.1	0	111	T380 V381 V408 L409 W410	T380-K402 CarbonylContact C-O 3.58Å; T380-K402 WeakPolarHBondContact CA-O 3.24Å; V381-K402 PolarHBondContact N-O 3.26Å; V381-K402 PolarHBondContact O-N 3.35Å; K402-V408 HydrophobicContact CB-CG1 3.75Å; K402-V408 HydrophobicContact CD-CG1 3.92Å; K402-V408 HydrophobicContact CG-CG1 4.41Å; K402-L409 PolarHBondContact NZ-O 3.45Å; K402-W410 HydrophobicContact CB-CZ2 4.25Å; K402-W410 HydrophobicContact CG-CZ2 4.43Å
403	P	91.9	Very high	95.6	Very high	91 Å²	91	68.5 Å²	68.5	59%	0.591	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.1	141.7	171.4	-23.4	34.3	0	0	0	111.2	T405 V408	P403-T405 PolarHBondContact O-N 2.96Å; P403-V408 WeakPolarHBondContact O-CG2 3.42Å
404	F	91.4	Very high	95.9	Very high	15 Å²	15	65.1 Å²	65.1	7%	0.066	33%	0.331	C	S	.	.			trans	-83.6	97.5	178.9	-163.5	-176.7	0	0	0	110.6	I370 L373 P374 L379 V381 L464 Y465 M517	I370-F404 HydrophobicContact CG2-CE2 4.06Å; I370-F404 HydrophobicContact CG2-CZ 4.48Å; L373-F404 HydrophobicContact CD2-CD2 3.81Å; L373-F404 HydrophobicContact CD2-CE2 3.96Å; L373-F404 HydrophobicContact CD2-CG 4.14Å; L373-F404 HydrophobicContact CD2-CZ 4.43Å; P374-F404 HydrophobicContact CG-CD1 4.3Å; P374-F404 HydrophobicContact CG-CE1 3.67Å; P374-F404 HydrophobicContact CG-CZ 4.34Å; L379-F404 HydrophobicContact CB-CB 4.05Å; L379-F404 HydrophobicContact CB-CD1 4.31Å; L379-F404 HydrophobicContact CD1-CD1 4.46Å; L379-F404 WeakPolarHBondContact O-CB 3.37Å; L379-F404 PolarHBondContact O-N 2.98Å; V381-F404 HydrophobicContact CB-CB 4.47Å; V381-F404 HydrophobicContact CB-CD2 4.47Å; V381-F404 HydrophobicContact CB-CG 4.34Å; V381-F404 HydrophobicContact CG1-CB 3.76Å; V381-F404 HydrophobicContact CG1-CD1 3.42Å; V381-F404 VanDerWaalsContact CG1-CD1 3.42Å; V381-F404 HydrophobicContact CG1-CD2 3.78Å; V381-F404 HydrophobicContact CG1-CE1 3.86Å; V381-F404 HydrophobicContact CG1-CE2 4.2Å; V381-F404 HydrophobicContact CG1-CG 3.37Å; V381-F404 HydrophobicContact CG1-CZ 4.23Å; V381-F404 HydrophobicContact CG2-CB 4Å; V381-F404 HydrophobicContact CG2-CD2 3.89Å; V381-F404 HydrophobicContact CG2-CG 4.03Å; F404-L464 HydrophobicContact CE1-CD1 4.03Å; F404-Y465 HydrophobicContact CZ-CE2 4.36Å; F404-M517 HydrophobicContact CE2-CE 3.7Å; F404-M517 HydrophobicContact CZ-CE 3.74Å
405	T	91.4	Very high	96	Very high	69 Å²	69	68 Å²	68	42%	0.423	34%	0.343	S	S	.	.			trans	-112.7	170.2	175.5	47.8	0	0	0	0	111	P403 E407 V408	P403-T405 PolarHBondContact O-N 2.96Å; T405-E407 PolarHBondContact O-N 2.95Å; T405-E407 PolarHBondContact OG1-O 2.96Å; T405-V408 WeakPolarHBondContact OG1-CG2 3.48Å
406	E	90.9	Very high	96	Very high	124 Å²	124	67.4 Å²	67.4	58%	0.579	34%	0.339	S	S	*	.	S	Bend	trans	-55.8	-40.8	179.9	-67.6	173.1	-178.2	0	0	111.3	D369 I370 L373	D369-E406 CarbonylContact C-O 3.57Å; D369-E406 WeakPolarHBondContact CA-O 3.43Å; I370-E406 PolarHBondContact N-O 3.45Å; L373-E406 HydrophobicContact CD1-CG 3.75Å; L373-E406 HydrophobicContact CG-CG 3.94Å
407	E	94.9	Very high	96	Very high	110 Å²	110	69.3 Å²	69.3	51%	0.514	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.5	170.6	-179.7	-176.6	-156	0	0	109.2	I368 T405 L409	I368-E407 WeakPolarHBondContact O-CA 3.49Å; T405-E407 PolarHBondContact O-N 2.95Å; T405-E407 PolarHBondContact OG1-O 2.96Å; E407-L409 HydrophobicContact CG-CD2 4.08Å; E407-L409 HydrophobicContact CG-CG 4.12Å
408	V	95.9	Very high	95.9	Very high	6 Å²	6	65.4 Å²	65.4	4%	0.036	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	111.6	172.7	-175.1	0	0	0	0	109.9	G367 I368 V381 K402 P403 T405 W410	G367-V408 CarbonylContact C-O 3.6Å; G367-V408 WeakPolarHBondContact CA-O 3.32Å; I368-V408 HydrophobicContact CD1-CB 4.17Å; I368-V408 HydrophobicContact CD1-CG2 4.31Å; I368-V408 HydrophobicContact CG1-CB 3.78Å; I368-V408 HydrophobicContact CG1-CG2 4.26Å; I368-V408 PolarHBondContact N-O 3.07Å; I368-V408 PolarHBondContact O-N 3.09Å; V381-V408 HydrophobicContact CG2-CG2 4.22Å; K402-V408 HydrophobicContact CB-CG1 3.75Å; K402-V408 HydrophobicContact CD-CG1 3.92Å; K402-V408 HydrophobicContact CG-CG1 4.41Å; P403-V408 WeakPolarHBondContact O-CG2 3.42Å; T405-V408 WeakPolarHBondContact OG1-CG2 3.48Å; V408-W410 HydrophobicContact CB-CH2 4.11Å; V408-W410 HydrophobicContact CB-CZ3 4.05Å; V408-W410 HydrophobicContact CG1-CD2 4.42Å; V408-W410 HydrophobicContact CG1-CE3 4.16Å; V408-W410 HydrophobicContact CG1-CH2 3.51Å; V408-W410 HydrophobicContact CG1-CZ2 3.78Å; V408-W410 HydrophobicContact CG1-CZ3 3.71Å
409	L	97.7	Very high	96	Very high	86 Å²	86	62.8 Å²	62.8	45%	0.45	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131	-179.8	-59.1	178.7	0	0	0	111.4	I366 K402 E407	I366-L409 CarbonylContact O-C 3.29Å; I366-L409 WeakPolarHBondContact O-CA 3.5Å; K402-L409 PolarHBondContact NZ-O 3.45Å; E407-L409 HydrophobicContact CG-CD2 4.08Å; E407-L409 HydrophobicContact CG-CG 4.12Å
410	W	98	Very high	96	Very high	15 Å²	15	62.1 Å²	62.1	6%	0.057	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-46.9	168.8	-79	-84.4	0	0	0	112.4	I365 I366 I368 V381 V383 T399 S400 K402 V408 V412	I365-W410 HydrophobicContact CG2-CB 4.45Å; I365-W410 HydrophobicContact CG2-CE3 4.18Å; I366-W410 PolarHBondContact O-N 2.96Å; I368-W410 HydrophobicContact CD1-CH2 3.97Å; I368-W410 HydrophobicContact CD1-CZ3 3.95Å; I368-W410 HydrophobicContact CG1-CH2 4.36Å; I368-W410 HydrophobicContact CG1-CZ3 3.87Å; I368-W410 HydrophobicContact CG2-CZ3 4.06Å; V381-W410 HydrophobicContact CG2-CH2 4.21Å; V383-W410 HydrophobicContact CG2-CE3 4.1Å; V383-W410 HydrophobicContact CG2-CH2 3.91Å; V383-W410 HydrophobicContact CG2-CZ3 3.65Å; T399-W410 HydrophobicContact CG2-CD2 4.37Å; T399-W410 HydrophobicContact CG2-CG 4.08Å; T399-W410 PolarHBondContact OG1-NE1 3.27Å; S400-W410 PolarHBondContact O-NE1 3.08Å; K402-W410 HydrophobicContact CB-CZ2 4.25Å; K402-W410 HydrophobicContact CG-CZ2 4.43Å; V408-W410 HydrophobicContact CB-CH2 4.11Å; V408-W410 HydrophobicContact CB-CZ3 4.05Å; V408-W410 HydrophobicContact CG1-CD2 4.42Å; V408-W410 HydrophobicContact CG1-CE3 4.16Å; V408-W410 HydrophobicContact CG1-CH2 3.51Å; V408-W410 HydrophobicContact CG1-CZ2 3.78Å; V408-W410 HydrophobicContact CG1-CZ3 3.71Å; W410-V412 VanDerWaalsContact C-N 3.26Å; W410-V412 HydrophobicContact CB-CB 4.47Å; W410-V412 WeakPolarHBondContact O-CG2 3.49Å; W410-V412 PolarHBondContact O-N 2.8Å
411	N	97.4	Very high	96	Very high	99 Å²	99	60.5 Å²	60.5	53%	0.529	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.6	40.5	-174	-165.3	30.6	0	0	0	113.4	K364 I365 I366	K364-N411 WeakPolarHBondContact CE-OD1 3.46Å; K364-N411 PolarHBondContact NZ-OD1 2.86Å; I365-N411 CarbonylContact O-C 3.56Å; I365-N411 VanDerWaalsContact O-CA 3.23Å; I365-N411 WeakPolarHBondContact O-CA 3.49Å; I365-N411 PolarHBondContact O-N 2.99Å; I366-N411 PolarHBondContact O-N 3.43Å
412	V	98.3	Very high	96.1	Very high	59 Å²	59	58.2 Å²	58.2	36%	0.358	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139	-173.8	165.9	0	0	0	0	111.2	K364 I365 W410 L414	K364-V412 CarbonylContact C-O 3.56Å; K364-V412 WeakPolarHBondContact CA-O 3.3Å; I365-V412 PolarHBondContact N-O 3.21Å; I365-V412 PolarHBondContact O-N 3.1Å; W410-V412 VanDerWaalsContact C-N 3.26Å; W410-V412 HydrophobicContact CB-CB 4.47Å; W410-V412 WeakPolarHBondContact O-CG2 3.49Å; W410-V412 PolarHBondContact O-N 2.8Å; V412-L414 HydrophobicContact CG1-CD2 4.1Å
413	W	98.4	Very high	96.3	Very high	96 Å²	96	54.9 Å²	54.9	36%	0.364	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	125.2	167.4	-75	99.4	0	0	0	110.9	R362 K364 D524	R362-W413 HydrophobicContact CB-CE3 4.08Å; R362-W413 HydrophobicContact CB-CZ3 4.49Å; R362-W413 HydrophobicContact CG-CE3 3.66Å; R362-W413 HydrophobicContact CG-CZ3 3.74Å; K364-W413 HydrophobicContact CB-CD2 3.75Å; K364-W413 HydrophobicContact CB-CE3 3.76Å; K364-W413 HydrophobicContact CB-CG 4.39Å; K364-W413 HydrophobicContact CB-CH2 4.05Å; K364-W413 HydrophobicContact CB-CZ2 4.03Å; K364-W413 HydrophobicContact CB-CZ3 3.91Å; K364-W413 HydrophobicContact CD-CD2 4.31Å; K364-W413 HydrophobicContact CD-CZ2 3.96Å; K364-W413 HydrophobicContact CG-CD2 3.94Å; K364-W413 HydrophobicContact CG-CE3 4.45Å; K364-W413 HydrophobicContact CG-CG 4.15Å; K364-W413 HydrophobicContact CG-CZ2 4.36Å; W413-D524 WeakPolarHBondContact CH2-OD1 3.47Å
414	L	98.4	Very high	96.5	Very high	12 Å²	12	51 Å²	51	6%	0.063	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	108.6	168.9	-59.5	-177	0	0	0	108.5	R362 V363 I365 A385 R397 T399 V412	R362-L414 CarbonylContact C-O 3.49Å; R362-L414 WeakPolarHBondContact CA-O 3.47Å; R362-L414 WeakPolarHBondContact CB-O 3.33Å; V363-L414 HydrophobicContact CG1-CB 4.2Å; V363-L414 PolarHBondContact N-O 3.15Å; V363-L414 PolarHBondContact O-N 3.37Å; I365-L414 HydrophobicContact CD1-CD1 4.36Å; I365-L414 HydrophobicContact CG1-CD1 3.66Å; I365-L414 HydrophobicContact CG1-CG 4.12Å; A385-L414 HydrophobicContact CB-CD1 3.98Å; R397-L414 HydrophobicContact CB-CB 3.98Å; R397-L414 HydrophobicContact CB-CD1 4.14Å; R397-L414 HydrophobicContact CB-CD2 4.38Å; R397-L414 HydrophobicContact CB-CG 4.4Å; R397-L414 HydrophobicContact CG-CB 4.43Å; T399-L414 HydrophobicContact CG2-CD1 4.07Å; T399-L414 HydrophobicContact CG2-CD2 4.28Å; T399-L414 HydrophobicContact CG2-CG 4.49Å; V412-L414 HydrophobicContact CG1-CD2 4.1Å
415	E	98.4	Very high	96.6	Very high	94 Å²	94	51 Å²	51	44%	0.439	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.9	174.6	-174.1	177	-103.5	0	0	110.6	K360 R362 R397	K360-E415 HydrophobicContact CB-CG 3.76Å; K360-E415 HydrophobicContact CD-CG 4.29Å; R362-E415 HydrophobicContact CB-CB 4.07Å; R362-E415 HydrophobicContact CB-CG 4.29Å; R397-E415 WeakPolarHBondContact CD-O 3.25Å; R397-E415 PolarHBondContact NE-O 2.58Å
416	F	98.3	Very high	96.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	156	-176	-66.9	-96.5	0	0	0	111.8	F361 V363 A385 I387 R397 I418 L429	F361-F416 AromaticContact CD1-CD2 3.54Å; F361-F416 HydrophobicContact CD1-CD2 3.54Å; F361-F416 AromaticContact CD1-CE2 3.94Å; F361-F416 HydrophobicContact CD1-CE2 3.94Å; F361-F416 HydrophobicContact CD1-CG 4.27Å; F361-F416 AromaticContact CE1-CD2 3.95Å; F361-F416 HydrophobicContact CE1-CD2 3.95Å; F361-F416 AromaticContact CE1-CE2 3.84Å; F361-F416 HydrophobicContact CE1-CE2 3.84Å; F361-F416 PolarHBondContact O-N 3.25Å; V363-F416 HydrophobicContact CG1-CE2 3.73Å; V363-F416 HydrophobicContact CG1-CZ 4.21Å; A385-F416 HydrophobicContact CB-CE1 4.32Å; A385-F416 HydrophobicContact CB-CZ 3.73Å; A385-F416 WeakPolarHBondContact O-CE1 3.26Å; I387-F416 HydrophobicContact CD1-CB 3.84Å; I387-F416 HydrophobicContact CD1-CD1 3.64Å; I387-F416 HydrophobicContact CD1-CD2 3.94Å; I387-F416 HydrophobicContact CD1-CE1 4.08Å; I387-F416 HydrophobicContact CD1-CE2 4.34Å; I387-F416 HydrophobicContact CD1-CG 3.54Å; I387-F416 HydrophobicContact CD1-CZ 4.4Å; I387-F416 HydrophobicContact CG1-CD1 3.87Å; I387-F416 HydrophobicContact CG1-CE1 3.86Å; I387-F416 HydrophobicContact CG1-CG 4.25Å; I387-F416 HydrophobicContact CG1-CZ 4.23Å; R397-F416 HydrophobicContact CB-CD1 4.4Å; R397-F416 HydrophobicContact CB-CE1 4.09Å; R397-F416 HydrophobicContact CB-CZ 4.41Å; R397-F416 HydrophobicContact CG-CD1 3.82Å; R397-F416 HydrophobicContact CG-CE1 4.02Å; R397-F416 HydrophobicContact CG-CG 4.16Å; F416-I418 HydrophobicContact CB-CG2 3.93Å; F416-I418 PolarHBondContact O-N 2.92Å; F416-L429 HydrophobicContact CZ-CD1 4.04Å
417	D	96.8	Very high	97.1	Very high	106 Å²	106	41.9 Å²	41.9	57%	0.567	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	50.9	174	-157	34.1	0	0	0	111.8	K360 S395	K360-D417 WeakPolarHBondContact CE-OD1 3.42Å; K360-D417 IonicContact NZ-OD1 2.73Å; K360-D417 PolarHBondContact NZ-OD1 2.7Å; S395-D417 PolarHBondContact OG-N 2.77Å
418	I	97.4	Very high	97.1	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.062	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	138.5	173.9	-170.2	165	0	0	0	108.5	K360 F361 I387 L394 F416 D422 L423	K360-I418 CarbonylContact C-O 3.53Å; K360-I418 WeakPolarHBondContact CA-O 3.39Å; F361-I418 HydrophobicContact CB-CG2 4.27Å; F361-I418 PolarHBondContact N-O 3.31Å; I387-I418 HydrophobicContact CD1-CG2 3.5Å; I387-I418 VanDerWaalsContact CD1-CG2 3.5Å; L394-I418 HydrophobicContact CB-CD1 4.12Å; L394-I418 HydrophobicContact CD1-CD1 4.13Å; F416-I418 HydrophobicContact CB-CG2 3.93Å; F416-I418 PolarHBondContact O-N 2.92Å; I418-D422 HydrophobicContact CG1-CB 4.06Å; I418-L423 HydrophobicContact CD1-CD2 4.08Å; I418-L423 HydrophobicContact CG1-CD2 4.47Å; I418-L423 HydrophobicContact CG2-CD2 4.26Å
419	K	98.1	Very high	97.2	Very high	87 Å²	87	37 Å²	37	38%	0.378	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	152.1	176.3	-61.2	174.5	-178.8	172.3	0	109.9	R359 K421 D422	R359-K419 CarbonylContact O-C 3.59Å; R359-K419 VanDerWaalsContact O-CA 3.31Å; R359-K419 WeakPolarHBondContact O-CA 3.22Å; K419-K421 HydrophobicContact CB-CG 3.98Å; K419-K421 PolarHBondContact O-N 3Å; K419-D422 WeakPolarHBondContact CB-OD2 3.13Å; K419-D422 PolarHBondContact O-N 2.84Å
420	I	97.6	Very high	97.2	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-56.1	-43.8	176.5	-67.5	166.8	0	0	0	110.4	L354 C357 R359 F361 D422 L423 L478 Y526	L354-I420 HydrophobicContact CD1-CG2 4.47Å; L354-I420 WeakPolarHBondContact CD2-O 3.37Å; L354-I420 HydrophobicContact CG-CG2 4.17Å; C357-I420 HydrophobicContact CB-CB 3.84Å; C357-I420 HydrophobicContact CB-CD1 4.48Å; C357-I420 HydrophobicContact CB-CG2 3.62Å; R359-I420 HydrophobicContact CB-CD1 4.2Å; R359-I420 PolarHBondContact O-N 2.98Å; F361-I420 HydrophobicContact CB-CG1 4.23Å; I420-D422 PolarHBondContact O-N 3.3Å; I420-D422 VanDerWaalsContact O-N 3.11Å; I420-L423 WeakPolarHBondContact O-CB 3.32Å; I420-L423 WeakPolarHBondContact O-CG 3.25Å; I420-L423 PolarHBondContact O-N 3.14Å; I420-L423 VanDerWaalsContact O-N 3.15Å; I420-L478 HydrophobicContact CG2-CD2 3.72Å; I420-Y526 HydrophobicContact CD1-CE1 4.34Å; I420-Y526 VanDerWaalsContact CD1-OH 3.23Å; I420-Y526 WeakPolarHBondContact CD1-OH 3.31Å
421	K	96	Very high	97.2	Very high	38 Å²	38	32.2 Å²	32.2	17%	0.165	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-58.8	-23.3	177.9	69.8	172.7	-169.7	-179.8	0	115.6	L354 C357 N358 K419 Q604	L354-K421 WeakPolarHBondContact O-CA 3.3Å; L354-K421 WeakPolarHBondContact O-CB 3.24Å; C357-K421 PolarHBondContact O-N 3.4Å; C357-K421 VanDerWaalsContact O-N 3.13Å; N358-K421 WeakPolarHBondContact OD1-CD 3.27Å; N358-K421 WeakPolarHBondContact OD1-CE 3.33Å; N358-K421 PolarHBondContact OD1-NZ 2.75Å; K419-K421 HydrophobicContact CB-CG 3.98Å; K419-K421 PolarHBondContact O-N 3Å; K421-Q604 WeakPolarHBondContact O-CB 3.4Å
422	D	97.2	Very high	97.1	Very high	28 Å²	28	27.9 Å²	27.9	15%	0.15	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-95.7	2.2	-175.3	-69.9	-49.8	0	0	0	112.5	I418 K419 I420 P424 G602 Q604	I418-D422 HydrophobicContact CG1-CB 4.06Å; K419-D422 WeakPolarHBondContact CB-OD2 3.13Å; K419-D422 PolarHBondContact O-N 2.84Å; I420-D422 PolarHBondContact O-N 3.3Å; I420-D422 VanDerWaalsContact O-N 3.11Å; D422-P424 VanDerWaalsContact O-CD 3.27Å; D422-P424 WeakPolarHBondContact O-CD 3.47Å; D422-G602 WeakPolarHBondContact CB-O 3.43Å; D422-G602 CarbonylContact O-C 3.33Å; D422-Q604 WeakPolarHBondContact OD1-CB 3.25Å; D422-Q604 PolarHBondContact OD1-N 3.02Å
423	L	97.6	Very high	97	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-72.7	116.7	174.6	-67.4	173	0	0	0	110.2	F361 I387 I418 I420 L471 L478	F361-L423 HydrophobicContact CB-CD1 4.43Å; F361-L423 HydrophobicContact CD2-CD1 3.91Å; F361-L423 HydrophobicContact CG-CD1 4.31Å; I387-L423 HydrophobicContact CD1-CD2 4.5Å; I387-L423 HydrophobicContact CG2-CD2 4.16Å; I418-L423 HydrophobicContact CD1-CD2 4.08Å; I418-L423 HydrophobicContact CG1-CD2 4.47Å; I418-L423 HydrophobicContact CG2-CD2 4.26Å; I420-L423 WeakPolarHBondContact O-CB 3.32Å; I420-L423 WeakPolarHBondContact O-CG 3.25Å; I420-L423 PolarHBondContact O-N 3.14Å; I420-L423 VanDerWaalsContact O-N 3.15Å; L423-L471 HydrophobicContact CD1-CD1 4.3Å; L423-L471 HydrophobicContact CD2-CD1 3.81Å; L423-L478 HydrophobicContact CD1-CD1 3.96Å
424	P	95.9	Very high	96.7	Very high	10 Å²	10	22.6 Å²	22.6	7%	0.065	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-76.3	158.4	176.1	31.3	-34.4	0	0	0	111.8	H389 L394 D422 A427 W601	H389-P424 HydrophobicContact CB-CG 4.08Å; L394-P424 HydrophobicContact CD1-CG 4Å; D422-P424 VanDerWaalsContact O-CD 3.27Å; D422-P424 WeakPolarHBondContact O-CD 3.47Å; P424-A427 HydrophobicContact CG-CB 4.15Å; P424-A427 WeakPolarHBondContact O-CB 3.17Å; P424-A427 PolarHBondContact O-N 2.85Å; P424-W601 HydrophobicContact CG-CB 4.43Å
425	K	94.7	Very high	96.2	Very high	16 Å²	16	22.4 Å²	22.4	7%	0.07	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	139.2	169.4	-162	-174.5	-176.2	-134.6	0	109.4	H389 A427 F476 L532 E641 Y675	H389-K425 PolarHBondContact CD2-O 3.46Å; H389-K425 PolarHBondContact NE2-O 2.91Å; K425-A427 VanDerWaalsContact C-N 3.29Å; K425-F476 HydrophobicContact CD-CD1 4.08Å; K425-F476 HydrophobicContact CD-CE1 3.58Å; K425-F476 HydrophobicContact CD-CZ 4.12Å; K425-F476 VanDerWaalsContact CE-CE1 3.4Å; K425-F476 VanDerWaalsContact CE-CZ 3.49Å; K425-L532 HydrophobicContact CB-CD2 3.69Å; K425-L532 HydrophobicContact CG-CD2 4.12Å; K425-E641 IonicContact NZ-OE1 3.86Å; K425-E641 PolarHBondContact NZ-OE1 3.01Å; K425-E641 IonicContact NZ-OE2 3.9Å; K425-E641 PolarHBondContact NZ-OE2 2.96Å; K425-Y675 HydrophobicContact CD-CE2 4.29Å; K425-Y675 HydrophobicContact CG-CE2 4.05Å
426	G	94.9	Very high	95.5	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.01	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	6.3	-174.6	0	0	0	0	0	114.7	L428 Y675	G426-L428 PolarHBondContact O-N 3.23Å; G426-Y675 PolarHBondContact N-OH 2.99Å
427	A	96.9	Very high	94.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.			trans	-64.3	130.3	170.9	0	0	0	0	0	111.4	Q388 P424 K425 L471	Q388-A427 CarbonylContact O-C 3.55Å; Q388-A427 WeakPolarHBondContact O-CA 3.16Å; P424-A427 HydrophobicContact CG-CB 4.15Å; P424-A427 WeakPolarHBondContact O-CB 3.17Å; P424-A427 PolarHBondContact O-N 2.85Å; K425-A427 VanDerWaalsContact C-N 3.29Å; A427-L471 HydrophobicContact CB-CD1 4.29Å; A427-L471 PolarHBondContact O-N 2.89Å
428	L	96.4	Very high	92.8	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.063	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.1	179.9	-69.7	168.1	0	0	0	110.5	I387 Q388 G426 N430 N468 L470	I387-L428 WeakPolarHBondContact CA-O 3.12Å; Q388-L428 PolarHBondContact N-O 3.33Å; Q388-L428 PolarHBondContact O-N 2.84Å; G426-L428 PolarHBondContact O-N 3.23Å; L428-N430 PolarHBondContact O-N 3.07Å; L428-N468 HydrophobicContact CD2-CB 4.27Å; L428-L470 HydrophobicContact CD2-CB 4.48Å; L428-L470 HydrophobicContact CD2-CD2 3.5Å; L428-L470 VanDerWaalsContact CD2-CD2 3.5Å; L428-L470 HydrophobicContact CD2-CG 3.72Å; L428-L470 HydrophobicContact CG-CD2 4.24Å
429	L	97.9	Very high	90.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	101.4	159.3	177.9	63.6	0	0	0	108.1	V363 A385 N386 F416 L431 N468 L469 L471 I521 L523	V363-L429 HydrophobicContact CB-CD2 4.42Å; V363-L429 HydrophobicContact CG2-CD2 4.12Å; A385-L429 HydrophobicContact CB-CD1 4.37Å; N386-L429 CarbonylContact O-C 3.57Å; N386-L429 WeakPolarHBondContact O-CA 3.09Å; F416-L429 HydrophobicContact CZ-CD1 4.04Å; L429-L431 HydrophobicContact CD1-CD2 4.23Å; L429-L431 HydrophobicContact CD2-CD1 4.45Å; L429-L431 HydrophobicContact CD2-CD2 4.4Å; L429-L431 HydrophobicContact CG-CD2 4.15Å; L429-L431 HydrophobicContact CG-CG 4.16Å; L429-N468 WeakPolarHBondContact O-CA 3.42Å; L429-L469 HydrophobicContact CB-CB 4.49Å; L429-L469 PolarHBondContact N-O 3.29Å; L429-L469 PolarHBondContact O-N 2.84Å; L429-L471 HydrophobicContact CB-CD2 3.73Å; L429-L471 HydrophobicContact CB-CG 4.11Å; L429-L471 HydrophobicContact CD2-CD2 4.44Å; L429-I521 HydrophobicContact CD2-CD1 4.18Å; L429-L523 HydrophobicContact CD2-CD2 4.38Å
430	N	96.6	Very high	88.3	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.7	176.4	167	-101.3	0	0	0	109.4	A385 N386 L428 Q432 N468	A385-N430 WeakPolarHBondContact CA-O 3.32Å; N386-N430 HydrophobicContact CB-CB 4.17Å; N386-N430 PolarHBondContact N-O 3.12Å; N386-N430 PolarHBondContact ND2-OD1 3.33Å; N386-N430 PolarHBondContact O-N 3.34Å; L428-N430 PolarHBondContact O-N 3.07Å; N430-Q432 VanDerWaalsContact OD1-CD 3.29Å; N430-Q432 WeakPolarHBondContact OD1-CG 3.47Å; N430-Q432 PolarHBondContact OD1-NE2 2.88Å; N430-N468 WeakPolarHBondContact CA-OD1 3.33Å; N430-N468 WeakPolarHBondContact CB-OD1 3.44Å; N430-N468 PolarHBondContact ND2-OD1 2.9Å
431	L	97.8	Very high	85.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.4	-179.5	-63.4	169.6	0	0	0	109.2	I365 A385 L429 Y466 V467 L485 M487 I519 I521	I365-L431 HydrophobicContact CD1-CD2 4.11Å; A385-L431 HydrophobicContact CB-CD2 3.66Å; L429-L431 HydrophobicContact CD1-CD2 4.23Å; L429-L431 HydrophobicContact CD2-CD1 4.45Å; L429-L431 HydrophobicContact CD2-CD2 4.4Å; L429-L431 HydrophobicContact CG-CD2 4.15Å; L429-L431 HydrophobicContact CG-CG 4.16Å; L431-Y466 CarbonylContact O-C 3.46Å; L431-Y466 VanDerWaalsContact O-CA 3.24Å; L431-Y466 WeakPolarHBondContact O-CA 3.22Å; L431-V467 HydrophobicContact CB-CG1 4.06Å; L431-V467 HydrophobicContact CD1-CG1 4.33Å; L431-V467 PolarHBondContact N-O 3.17Å; L431-V467 PolarHBondContact O-N 2.77Å; L431-L485 HydrophobicContact CD1-CD1 4.19Å; L431-M487 WeakPolarHBondContact O-CE 3.41Å; L431-I519 HydrophobicContact CB-CD1 4.38Å; L431-I519 HydrophobicContact CD1-CD1 4.26Å; L431-I519 HydrophobicContact CD1-CG2 4.23Å; L431-I521 HydrophobicContact CD1-CD1 3.97Å; L431-I521 HydrophobicContact CD1-CG2 3.94Å
432	Q	96.2	Very high	82.4	Confident	9 Å²	9	42 Å²	42	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.1	-172.4	-73.4	-173.7	18.6	0	0	110.8	V383 E384 N430 Y434 L463 Y465	V383-Q432 CarbonylContact C-O 3.48Å; V383-Q432 WeakPolarHBondContact CA-O 3.49Å; E384-Q432 HydrophobicContact CB-CB 4.33Å; E384-Q432 PolarHBondContact N-O 3.32Å; E384-Q432 PolarHBondContact O-N 3.26Å; N430-Q432 VanDerWaalsContact OD1-CD 3.29Å; N430-Q432 WeakPolarHBondContact OD1-CG 3.47Å; N430-Q432 PolarHBondContact OD1-NE2 2.88Å; Q432-Y434 HydrophobicContact CB-CD2 4.3Å; Q432-Y434 HydrophobicContact CB-CE2 3.89Å; Q432-Y434 PolarHBondContact OE1-OH 3.05Å; Q432-L463 HydrophobicContact CB-CD1 3.54Å; Q432-L463 HydrophobicContact CG-CD1 3.85Å; Q432-Y465 WeakPolarHBondContact CA-O 3.42Å
433	I	95	Very high	79.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	118	174.7	-61.1	173.5	0	0	0	109	I368 V381 V383 L464 Y465 M487 M517	I368-I433 HydrophobicContact CB-CD1 4.26Å; I368-I433 HydrophobicContact CD1-CD1 3.95Å; I368-I433 HydrophobicContact CD1-CG2 4.45Å; I368-I433 HydrophobicContact CG2-CD1 3.75Å; I368-I433 HydrophobicContact CG2-CG1 4.45Å; V381-I433 HydrophobicContact CB-CG2 4.31Å; V381-I433 HydrophobicContact CG1-CG2 4.25Å; V383-I433 HydrophobicContact CG2-CG1 4.49Å; I433-L464 PolarHBondContact O-N 3.27Å; I433-Y465 HydrophobicContact CB-CD2 4.31Å; I433-Y465 HydrophobicContact CD1-CD2 4.43Å; I433-Y465 HydrophobicContact CG2-CD2 4.43Å; I433-Y465 PolarHBondContact N-O 3.28Å; I433-Y465 PolarHBondContact O-N 2.66Å; I433-M487 HydrophobicContact CD1-CE 3.96Å; I433-M487 HydrophobicContact CD1-SD 3.38Å; I433-M487 WeakPolarHBondContact CD1-SD 3.4Å; I433-M487 HydrophobicContact CG1-CE 3.9Å; I433-M487 HydrophobicContact CG1-SD 3.99Å; I433-M517 HydrophobicContact CD1-CE 4.02Å; I433-M517 HydrophobicContact CD1-CG 3.65Å; I433-M517 HydrophobicContact CD1-SD 3.95Å
434	Y	92.6	Very high	76.4	Confident	43 Å²	43	56.5 Å²	56.5	17%	0.169	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	144.7	175	-78	-92.8	0	0	0	110.7	V381 F382 E384 Q432 Q462 L463	V381-Y434 WeakPolarHBondContact CA-O 3.08Å; F382-Y434 HydrophobicContact CE1-CG 4.39Å; F382-Y434 AromaticContact CE2-CD2 3.89Å; F382-Y434 HydrophobicContact CE2-CD2 3.89Å; F382-Y434 AromaticContact CE2-CG 3.97Å; F382-Y434 HydrophobicContact CE2-CG 3.97Å; F382-Y434 HydrophobicContact CZ-CD1 4.42Å; F382-Y434 HydrophobicContact CZ-CD2 4.12Å; F382-Y434 AromaticContact CZ-CG 3.72Å; F382-Y434 HydrophobicContact CZ-CG 3.72Å; F382-Y434 PolarHBondContact N-O 3.01Å; F382-Y434 VanDerWaalsContact N-O 3.09Å; F382-Y434 PolarHBondContact O-N 3.29Å; E384-Y434 HydrophobicContact CB-CD2 3.9Å; E384-Y434 HydrophobicContact CB-CE2 3.83Å; E384-Y434 HydrophobicContact CG-CE2 4.41Å; Q432-Y434 HydrophobicContact CB-CD2 4.3Å; Q432-Y434 HydrophobicContact CB-CE2 3.89Å; Q432-Y434 PolarHBondContact OE1-OH 3.05Å; Y434-Q462 CarbonylContact C-O 3.57Å; Y434-Q462 WeakPolarHBondContact CA-O 3.41Å; Y434-L463 HydrophobicContact CD1-CB 4.15Å; Y434-L463 HydrophobicContact CD2-CD1 4.14Å; Y434-L463 HydrophobicContact CE1-CB 3.76Å; Y434-L463 HydrophobicContact CE1-CD1 4.34Å; Y434-L463 HydrophobicContact CE2-CD1 3.84Å
435	C	89.1	Confident	73.4	Confident	9 Å²	9	62.1 Å²	62.1	6%	0.061	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.6	176.4	179.9	0	0	0	0	110.8	T380 V381 T461 Q462 L464	T380-C435 CarbonylContact O-C 3.34Å; T380-C435 VanDerWaalsContact O-CA 3.28Å; T380-C435 WeakPolarHBondContact O-CA 3.27Å; V381-C435 HydrophobicContact CG1-CB 4.18Å; C435-T461 CarbonylContact O-C 3.57Å; C435-T461 WeakPolarHBondContact O-CA 3.43Å; C435-Q462 PolarHBondContact N-O 2.94Å; C435-Q462 PolarHBondContact O-N 3.19Å; C435-L464 HydrophobicContact CB-CD1 3.4Å; C435-L464 HydrophobicContact CB-CG 3.8Å
436	G	82.8	Confident	70.3	Confident	7 Å²	7	68 Å²	68	7%	0.072	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	164.9	175.4	0	0	0	0	0	112.1	T380	T380-G436 PolarHBondContact N-O 2.97Å; T380-G436 PolarHBondContact O-N 3.36Å; T380-G436 PolarHBondContact OG1-O 2.9Å
437	K	75.9	Confident	67.4	Low	150 Å²	150	75.5 Å²	75.5	65%	0.652	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	138.8	175.1	-69	-170.7	177.2	-171.9	0	110.8	Q439	K437-Q439 PolarHBondContact O-N 3.2Å
438	A	62.5	Low	64.3	Low	57 Å²	57	84.1 Å²	84.1	47%	0.471	46%	0.462	S	S	.	.			trans	-59.6	132.8	172.4	0	0	0	0	0	110.7	D378 T380 G440	D378-A438 PolarHBondContact O-N 2.94Å; T380-A438 HydrophobicContact CG2-CB 4.02Å; A438-G440 PolarHBondContact O-N 3.27Å
439	Q	55.8	Low	61	Low	177 Å²	177	88.1 Å²	88.1	83%	0.827	49%	0.491	S	S	*	.			trans	-70.2	110.8	170	-75.4	179.4	-10.2	0	0	108.2	K437 L441	K437-Q439 PolarHBondContact O-N 3.2Å; Q439-L441 PolarHBondContact O-N 2.91Å
440	G	46.1	Very low	57.7	Low	70 Å²	70	95.7 Å²	95.7	72%	0.722	53%	0.526	S	S	*	.			trans	-64.5	123	173.2	0	0	0	0	0	110.5	A438 S442	A438-G440 PolarHBondContact O-N 3.27Å; G440-S442 PolarHBondContact O-N 3.32Å
441	L	37	Very low	54.5	Low	172 Å²	172	103.8 Å²	103.8	90%	0.901	56%	0.564	S	S	*	*			trans	-65.3	98.4	166.6	-79.3	124.6	0	0	0	108.9	Q439 T443	Q439-L441 PolarHBondContact O-N 2.91Å; L441-T443 PolarHBondContact O-N 3.5Å
442	S	32	Very low	51	Low	117 Å²	117	109.3 Å²	109.3	82%	0.818	60%	0.603	S	S	*	*			trans	-84.1	98.1	164.7	61.5	0	0	0	0	109.5	G440 K444	G440-S442 PolarHBondContact O-N 3.32Å; S442-K444 PolarHBondContact O-N 3.2Å
443	T	35.1	Very low	48.1	Very low	134 Å²	134	114.7 Å²	114.7	82%	0.822	64%	0.638	S	S	*	*			trans	-71.8	99.8	161.8	38.9	0	0	0	0	109.6	L441	L441-T443 PolarHBondContact O-N 3.5Å
444	K	33	Very low	45	Very low	201 Å²	201	122.5 Å²	122.5	87%	0.874	68%	0.68	S	S	*	*			trans	-144.4	111.6	150.8	-78.3	-163.2	178.1	176.4	0	111.5	S442	S442-K444 PolarHBondContact O-N 3.2Å
445	T	32.7	Very low	41.9	Very low	129 Å²	129	125.4 Å²	125.4	79%	0.791	71%	0.707	S	S	*	*			trans	-53.7	122.7	158.7	31.2	0	0	0	0	112.4
446	N	30.7	Very low	39.1	Very low	139 Å²	139	132.3 Å²	132.3	74%	0.743	74%	0.743	S	S	*	*				155.3	132.9	114.9	-88.6	-18.4	0	0	0	114.4
447	L	33.5	Very low	36.7	Very low	159 Å²	159	140 Å²	140	83%	0.832	78%	0.782	S	S	*	*			trans	77.7	119.2	148.3	-67.9	153.4	0	0	0	121.3
448	Q	31.5	Very low	34.9	Very low	181 Å²	181	141.8 Å²	141.8	85%	0.846	79%	0.789	S	S	*	*			trans	-36.5	154.7	164.8	-71.2	165.1	-11.8	0	0	114.9
449	S	27.9	Very low	34.1	Very low	96 Å²	96	142.2 Å²	142.2	67%	0.671	79%	0.788	S	S	*	*			cis	-174	163.4	27.7	41	0	0	0	0	112.7
450	H	28.6	Very low	34.3	Very low	159 Å²	159	143.1 Å²	143.1	74%	0.736	79%	0.79	S	S	*	*			trans	94.4	98.6	155.5	-69.6	-68.2	0	0	0	122.2
451	E	28.6	Very low	35.7	Very low	171 Å²	171	143.7 Å²	143.7	80%	0.799	78%	0.779	S	S	*	*				69.6	105.5	129.8	-68.1	179.3	-159.8	0	0	122.9
452	S	25.1	Very low	38.1	Very low	115 Å²	115	140.2 Å²	140.2	80%	0.804	76%	0.758	S	S	*	*				-174.1	130.1	119.9	35.5	0	0	0	0	110.6
453	P	35.3	Very low	40.8	Very low	122 Å²	122	136 Å²	136	79%	0.792	73%	0.726	S	S	*	*			trans	-98.7	96.1	176.1	34	-23.6	0	0	0	109.5
454	N	29	Very low	43.3	Very low	164 Å²	164	131 Å²	131	88%	0.877	70%	0.695	S	S	*	*			trans	170.8	86.6	151.1	-93.3	-15.1	0	0	0	110.1
455	S	27.5	Very low	46.2	Very low	105 Å²	105	122.5 Å²	122.5	73%	0.734	66%	0.657	S	S	*	*			trans	-152.3	93.9	149.4	54.4	0	0	0	0	108.6	L457	S455-L457 PolarHBondContact O-N 3.15Å
456	D	31.2	Very low	49.1	Very low	153 Å²	153	116.3 Å²	116.3	82%	0.818	62%	0.619	S	S	*	*			trans	-59.6	102.9	168	-85.5	-28.6	0	0	0	109.1	K458	D456-K458 PolarHBondContact O-N 3.09Å
457	L	32.6	Very low	52.3	Low	170 Å²	170	109.7 Å²	109.7	89%	0.89	58%	0.584	S	S	*	*			trans	-64.7	79.9	162.8	-83.4	136.2	0	0	0	108.9	S455 C459	S455-L457 PolarHBondContact O-N 3.15Å; L457-C459 PolarHBondContact O-N 3.1Å
458	K	37.8	Very low	55.3	Low	186 Å²	186	102.1 Å²	102.1	81%	0.809	54%	0.544	S	S	*	.			trans	-62.9	98.5	171.6	-81.2	-178.5	178.3	175.2	0	109.8	D456 K460	D456-K458 PolarHBondContact O-N 3.09Å; K458-K460 PolarHBondContact O-N 3.11Å
459	C	44.4	Very low	58.4	Low	66 Å²	66	93.5 Å²	93.5	45%	0.446	50%	0.504	S	S	.	.			trans	-57.8	117.7	161.2	-161.9	0	0	0	0	107.6	L457 T461	L457-C459 PolarHBondContact O-N 3.1Å; C459-T461 PolarHBondContact O-N 3.04Å
460	K	59.8	Low	61.7	Low	197 Å²	197	89 Å²	89	86%	0.857	47%	0.472	S	S	*	.			trans	-67	95.8	-176.9	-81	177.3	175.5	171.8	0	109.9	K458	K458-K460 PolarHBondContact O-N 3.11Å
461	T	77.1	Confident	65	Low	82 Å²	82	81.4 Å²	81.4	50%	0.503	44%	0.437	S	S	.	.			trans	-76.3	139.7	167.2	50	0	0	0	0	109.8	F382 C435 C459	F382-T461 HydrophobicContact CE1-CG2 4.19Å; C435-T461 CarbonylContact O-C 3.57Å; C435-T461 WeakPolarHBondContact O-CA 3.43Å; C459-T461 PolarHBondContact O-N 3.04Å
462	Q	86.3	Confident	68.2	Low	99 Å²	99	73.3 Å²	73.3	46%	0.463	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	131.2	-177.7	179.8	176.7	-5.3	0	0	110	Y434 C435 L464	Y434-Q462 CarbonylContact C-O 3.57Å; Y434-Q462 WeakPolarHBondContact CA-O 3.41Å; C435-Q462 PolarHBondContact N-O 2.94Å; C435-Q462 PolarHBondContact O-N 3.19Å; Q462-L464 HydrophobicContact CG-CD2 4.16Å
463	L	88.5	Confident	71.5	Confident	27 Å²	27	68.9 Å²	68.9	14%	0.141	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.3	170.5	179.7	65.4	0	0	0	109.4	Q432 Y434 Y465 I490	Q432-L463 HydrophobicContact CB-CD1 3.54Å; Q432-L463 HydrophobicContact CG-CD1 3.85Å; Y434-L463 HydrophobicContact CD1-CB 4.15Å; Y434-L463 HydrophobicContact CD2-CD1 4.14Å; Y434-L463 HydrophobicContact CE1-CB 3.76Å; Y434-L463 HydrophobicContact CE1-CD1 4.34Å; Y434-L463 HydrophobicContact CE2-CD1 3.84Å; L463-Y465 WeakPolarHBondContact CD1-O 3.37Å; L463-I490 HydrophobicContact CD2-CD1 4.08Å; L463-I490 HydrophobicContact CD2-CG1 4Å; L463-I490 HydrophobicContact CG-CG1 3.89Å
464	L	88.8	Confident	74.2	Confident	30 Å²	30	63.6 Å²	63.6	16%	0.157	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-40.3	-179.8	-66.6	-173.8	0	0	0	113.4	F404 I433 C435 Q462 I490	F404-L464 HydrophobicContact CE1-CD1 4.03Å; I433-L464 PolarHBondContact O-N 3.27Å; C435-L464 HydrophobicContact CB-CD1 3.4Å; C435-L464 HydrophobicContact CB-CG 3.8Å; Q462-L464 HydrophobicContact CG-CD2 4.16Å; L464-I490 PolarHBondContact O-N 3.41Å
465	Y	93	Very high	77.2	Confident	22 Å²	22	56.4 Å²	56.4	9%	0.086	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	151.8	-175.2	-56.2	-84.2	0	0	0	111.2	I370 F404 Q432 I433 L463 W488 K489 M517	I370-Y465 HydrophobicContact CD1-CE2 4.32Å; I370-Y465 VanDerWaalsContact CD1-OH 3.27Å; I370-Y465 WeakPolarHBondContact CD1-OH 3.49Å; F404-Y465 HydrophobicContact CZ-CE2 4.36Å; Q432-Y465 WeakPolarHBondContact CA-O 3.42Å; I433-Y465 HydrophobicContact CB-CD2 4.31Å; I433-Y465 HydrophobicContact CD1-CD2 4.43Å; I433-Y465 HydrophobicContact CG2-CD2 4.43Å; I433-Y465 PolarHBondContact N-O 3.28Å; I433-Y465 PolarHBondContact O-N 2.66Å; L463-Y465 WeakPolarHBondContact CD1-O 3.37Å; Y465-W488 CarbonylContact C-O 3.53Å; Y465-W488 WeakPolarHBondContact CA-O 3.4Å; Y465-K489 HydrophobicContact CD1-CB 3.97Å; Y465-K489 HydrophobicContact CD1-CG 4.21Å; Y465-K489 HydrophobicContact CE1-CB 3.81Å; Y465-K489 HydrophobicContact CE1-CD 4.27Å; Y465-K489 HydrophobicContact CE1-CG 3.73Å; Y465-M517 HydrophobicContact CD1-CB 3.92Å; Y465-M517 HydrophobicContact CD2-CB 4.46Å; Y465-M517 HydrophobicContact CD2-CE 4.12Å; Y465-M517 HydrophobicContact CD2-CG 4.41Å; Y465-M517 HydrophobicContact CE1-CB 4.09Å; Y465-M517 HydrophobicContact CE2-CE 3.99Å; Y465-M517 HydrophobicContact CG-CB 4.14Å; Y465-M517 HydrophobicContact CG-CG 4.28Å
466	Y	94.8	Very high	80.3	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	153.5	174.6	72.7	-82.1	0	0	0	112.1	L431 W488 I490 I500 D503 K504 H711	L431-Y466 CarbonylContact O-C 3.46Å; L431-Y466 VanDerWaalsContact O-CA 3.24Å; L431-Y466 WeakPolarHBondContact O-CA 3.22Å; Y466-W488 HydrophobicContact CD1-CB 3.96Å; Y466-W488 HydrophobicContact CD2-CB 4.42Å; Y466-W488 HydrophobicContact CE1-CB 3.46Å; Y466-W488 VanDerWaalsContact CE1-CB 3.46Å; Y466-W488 HydrophobicContact CE1-CG 4.42Å; Y466-W488 HydrophobicContact CE2-CB 3.94Å; Y466-W488 AromaticContact CE2-CD1 3.79Å; Y466-W488 HydrophobicContact CE2-CG 4.11Å; Y466-W488 HydrophobicContact CG-CB 4.43Å; Y466-W488 VanDerWaalsContact CZ-CB 3.46Å; Y466-W488 AromaticContact CZ-CG 3.95Å; Y466-W488 PolarHBondContact N-O 3.47Å; Y466-W488 PolarHBondContact O-N 3.4Å; Y466-I490 HydrophobicContact CD1-CD1 3.4Å; Y466-I490 HydrophobicContact CD1-CG1 4.04Å; Y466-I490 HydrophobicContact CE1-CD1 3.58Å; Y466-I490 HydrophobicContact CE1-CG1 4.49Å; Y466-I500 HydrophobicContact CE1-CG2 4.22Å; Y466-D503 PolarHBondContact OH-O 3.38Å; Y466-K504 HydrophobicContact CD1-CG 4.43Å; Y466-K504 HydrophobicContact CD2-CG 4.27Å; Y466-K504 HydrophobicContact CE1-CG 4.17Å; Y466-K504 VanDerWaalsContact CE2-CA 3.46Å; Y466-K504 HydrophobicContact CE2-CB 4.31Å; Y466-K504 HydrophobicContact CE2-CG 4.03Å; Y466-K504 HydrophobicContact CG-CG 4.46Å; Y466-H711 PolarHBondContact OH-NE2 3.31Å
467	V	96.7	Very high	83.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	152.4	167	71.6	0	0	0	0	109	L431 L485 M487 T509 I519	L431-V467 HydrophobicContact CB-CG1 4.06Å; L431-V467 HydrophobicContact CD1-CG1 4.33Å; L431-V467 PolarHBondContact N-O 3.17Å; L431-V467 PolarHBondContact O-N 2.77Å; V467-L485 HydrophobicContact CG1-CB 3.9Å; V467-L485 HydrophobicContact CG1-CD1 4.12Å; V467-L485 HydrophobicContact CG2-CB 4.07Å; V467-M487 HydrophobicContact CB-CB 4.33Å; V467-M487 HydrophobicContact CB-CE 4.4Å; V467-M487 HydrophobicContact CB-CG 4.02Å; V467-M487 HydrophobicContact CG1-CE 4.04Å; V467-M487 HydrophobicContact CG1-CG 3.94Å; V467-T509 HydrophobicContact CG2-CG2 4.27Å; V467-I519 HydrophobicContact CG1-CG2 3.79Å
468	N	95.8	Very high	86.3	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.7	178.3	-49.3	-62.1	0	0	0	111.1	L428 L429 N430 K504 T506	L428-N468 HydrophobicContact CD2-CB 4.27Å; L429-N468 WeakPolarHBondContact O-CA 3.42Å; N430-N468 WeakPolarHBondContact CA-OD1 3.33Å; N430-N468 WeakPolarHBondContact CB-OD1 3.44Å; N430-N468 PolarHBondContact ND2-OD1 2.9Å; N468-K504 PolarHBondContact ND2-O 2.92Å; N468-T506 WeakPolarHBondContact CB-O 3.45Å; N468-T506 PolarHBondContact ND2-O 3.29Å
469	L	97.3	Very high	89	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	126.4	172.8	-178.4	66.8	0	0	0	109.3	H169 L429 L471 Y483 L485 I521 L523	H169-L469 WeakPolarHBondContact NE2-CD1 3.22Å; L429-L469 HydrophobicContact CB-CB 4.49Å; L429-L469 PolarHBondContact N-O 3.29Å; L429-L469 PolarHBondContact O-N 2.84Å; L469-L471 PolarHBondContact O-N 2.93Å; L469-Y483 HydrophobicContact CD1-CD1 4.32Å; L469-Y483 HydrophobicContact CD1-CE1 4.29Å; L469-Y483 HydrophobicContact CD2-CD1 4.25Å; L469-Y483 HydrophobicContact CD2-CD2 4.26Å; L469-Y483 HydrophobicContact CD2-CE1 4.4Å; L469-Y483 HydrophobicContact CD2-CE2 4.44Å; L469-Y483 HydrophobicContact CD2-CG 4.2Å; L469-L485 HydrophobicContact CB-CD1 4.2Å; L469-L485 HydrophobicContact CD2-CD1 4.44Å; L469-I521 HydrophobicContact CD2-CD1 4.1Å; L469-L523 HydrophobicContact CD2-CD1 4.09Å
470	L	97.1	Very high	91.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	125.6	171	-77.3	163.3	0	0	0	109.9	L428 R479 P674 Y675	L428-L470 HydrophobicContact CD2-CB 4.48Å; L428-L470 HydrophobicContact CD2-CD2 3.5Å; L428-L470 VanDerWaalsContact CD2-CD2 3.5Å; L428-L470 HydrophobicContact CD2-CG 3.72Å; L428-L470 HydrophobicContact CG-CD2 4.24Å; L470-R479 WeakPolarHBondContact O-CD 3.42Å; L470-R479 WeakPolarHBondContact O-CG 3.17Å; L470-R479 PolarHBondContact O-NE 2.91Å; L470-P674 HydrophobicContact CD2-CB 4.15Å; L470-Y675 HydrophobicContact CD1-CD1 3.89Å; L470-Y675 HydrophobicContact CD1-CE1 3.77Å; L470-Y675 HydrophobicContact CD2-CE1 4.44Å
471	L	97.5	Very high	93.1	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.115	C	C	.	.	S	Bend	trans	-72.8	-32.8	179.1	-70.6	179	0	0	0	112.4	F361 I387 L423 A427 L429 L469 R479	F361-L471 HydrophobicContact CE1-CD1 4.49Å; F361-L471 HydrophobicContact CE1-CD2 4.18Å; F361-L471 HydrophobicContact CE2-CD2 3.81Å; F361-L471 HydrophobicContact CZ-CD1 4.31Å; F361-L471 HydrophobicContact CZ-CD2 3.39Å; I387-L471 HydrophobicContact CG1-CD1 4.42Å; I387-L471 HydrophobicContact CG2-CD1 4.09Å; L423-L471 HydrophobicContact CD1-CD1 4.3Å; L423-L471 HydrophobicContact CD2-CD1 3.81Å; A427-L471 HydrophobicContact CB-CD1 4.29Å; A427-L471 PolarHBondContact O-N 2.89Å; L429-L471 HydrophobicContact CB-CD2 3.73Å; L429-L471 HydrophobicContact CB-CG 4.11Å; L429-L471 HydrophobicContact CD2-CD2 4.44Å; L469-L471 PolarHBondContact O-N 2.93Å; L471-R479 PolarHBondContact O-N 3.49Å
472	I	96.4	Very high	94.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-114.3	122.1	175.5	-58.6	177.2	0	0	0	107.4	L354 L477 L532 Y675	L354-I472 HydrophobicContact CD1-CD1 4.07Å; L354-I472 HydrophobicContact CD1-CG1 4.5Å; I472-L477 CarbonylContact C-O 3.57Å; I472-L477 WeakPolarHBondContact CA-O 3.1Å; I472-L532 HydrophobicContact CD1-CB 4.29Å; I472-L532 HydrophobicContact CD1-CD2 3.98Å; I472-L532 HydrophobicContact CG2-CB 4.38Å; I472-Y675 WeakPolarHBondContact O-CE1 3.25Å; I472-Y675 PolarHBondContact O-OH 3.12Å
473	D	94.5	Very high	94.7	Very high	22 Å²	22	20.9 Å²	20.9	12%	0.118	11%	0.105	C	C	.	.			trans	-76	178.9	-177.7	73.8	11.2	0	0	0	112.9	R475 F476 L477	D473-R475 PolarHBondContact O-N 3.26Å; D473-R475 VanDerWaalsContact O-N 3.16Å; D473-R475 VanDerWaalsContact OD1-C 3.31Å; D473-R475 VanDerWaalsContact OD1-CA 3.31Å; D473-R475 WeakPolarHBondContact OD1-CA 3.29Å; D473-R475 WeakPolarHBondContact OD1-CB 3.37Å; D473-R475 PolarHBondContact OD1-N 3.38Å; D473-F476 PolarHBondContact O-N 3.23Å; D473-F476 PolarHBondContact OD1-N 3.38Å; D473-L477 PolarHBondContact N-O 3.4Å; D473-L477 PolarHBondContact OD1-N 3.43Å
474	H	92.3	Very high	95.1	Very high	12 Å²	12	24 Å²	24	6%	0.056	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-14.3	179.4	57.1	-75.4	0	0	0	114.2	D171 E172 F175 Y675	D171-H474 IonicContact OD1-CE1 2.65Å; D171-H474 PolarHBondContact OD1-CE1 2.86Å; D171-H474 IonicContact OD1-NE2 3.59Å; D171-H474 PolarHBondContact OD1-NE2 3.34Å; E172-H474 HydrophobicContact CG-CB 3.82Å; F175-H474 AromaticContact CD1-CD2 3.34Å; F175-H474 WeakPolarHBondContact CD1-CD2 3.36Å; F175-H474 AromaticContact CD2-CD2 3.69Å; F175-H474 AromaticContact CD2-NE2 3.91Å; F175-H474 HydrophobicContact CE1-CB 4.47Å; F175-H474 AromaticContact CE1-CD2 3.64Å; F175-H474 AromaticContact CE2-CD2 4Å; F175-H474 AromaticContact CG-CD2 3.34Å; F175-H474 WeakPolarHBondContact CG-CD2 3.4Å; F175-H474 AromaticContact CG-NE2 3.65Å; F175-H474 AromaticContact CZ-CD2 3.97Å; H474-Y675 HydrophobicContact CB-CD1 4.09Å
475	R	91.1	Very high	95.5	Very high	13 Å²	13	22.6 Å²	22.6	5%	0.049	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	15	175.6	-59.7	-175.5	174.4	83.4	7.4	112.8	D111 D171 F175 G331 T333 D473 L477	D111-R475 VanDerWaalsContact OD1-CD 3.27Å; D111-R475 WeakPolarHBondContact OD1-CD 3.33Å; D111-R475 IonicContact OD1-CZ 2.78Å; D111-R475 IonicContact OD1-NE 3.8Å; D111-R475 PolarHBondContact OD1-NE 3.09Å; D111-R475 IonicContact OD2-NE 3.93Å; D171-R475 VanDerWaalsContact CG-NH2 3.27Å; D171-R475 IonicContact OD1-CZ 3.75Å; D171-R475 IonicContact OD1-NH1 3.51Å; D171-R475 PolarHBondContact OD1-NH1 2.87Å; D171-R475 IonicContact OD1-NH2 3.79Å; D171-R475 PolarHBondContact OD1-NH2 2.92Å; D171-R475 VanDerWaalsContact OD1-NH2 3.15Å; D171-R475 IonicContact OD2-CZ 3.36Å; D171-R475 IonicContact OD2-NH1 3.7Å; D171-R475 IonicContact OD2-NH2 3.94Å; D171-R475 PolarHBondContact OD2-NH2 3.12Å; F175-R475 HydrophobicContact CE2-CG 4.45Å; G331-R475 CarbonylContact O-C 3.57Å; T333-R475 WeakPolarHBondContact CG2-O 3.43Å; D473-R475 PolarHBondContact O-N 3.26Å; D473-R475 VanDerWaalsContact O-N 3.16Å; D473-R475 VanDerWaalsContact OD1-C 3.31Å; D473-R475 VanDerWaalsContact OD1-CA 3.31Å; D473-R475 WeakPolarHBondContact OD1-CA 3.29Å; D473-R475 WeakPolarHBondContact OD1-CB 3.37Å; D473-R475 PolarHBondContact OD1-N 3.38Å; R475-L477 HydrophobicContact CB-CD1 4.31Å; R475-L477 HydrophobicContact CB-CG 4.16Å; R475-L477 PolarHBondContact O-N 3.46Å
476	F	92.9	Very high	95.7	Very high	33 Å²	33	23 Å²	23	15%	0.145	12%	0.12	C	C	.	.	S	Bend	trans	62.5	22.3	-178.1	-59.6	-107.9	0	0	0	112.8	G331 T333 K425 D473 A531 L532	G331-F476 VanDerWaalsContact O-CD2 3.29Å; G331-F476 WeakPolarHBondContact O-CD2 3.19Å; T333-F476 HydrophobicContact CG2-CB 3.83Å; K425-F476 HydrophobicContact CD-CD1 4.08Å; K425-F476 HydrophobicContact CD-CE1 3.58Å; K425-F476 HydrophobicContact CD-CZ 4.12Å; K425-F476 VanDerWaalsContact CE-CE1 3.4Å; K425-F476 VanDerWaalsContact CE-CZ 3.49Å; D473-F476 PolarHBondContact O-N 3.23Å; D473-F476 PolarHBondContact OD1-N 3.38Å; F476-A531 CarbonylContact O-C 3.29Å; F476-A531 WeakPolarHBondContact O-CA 3.41Å; F476-L532 HydrophobicContact CB-CB 4.21Å; F476-L532 HydrophobicContact CD1-CB 4.47Å; F476-L532 HydrophobicContact CD1-CD2 4.13Å; F476-L532 PolarHBondContact O-N 3.46Å
477	L	93.5	Very high	95.7	Very high	20 Å²	20	23 Å²	23	11%	0.105	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-96.3	140	176.4	-57.2	176.7	0	0	0	110.7	H113 T333 I472 D473 R475 R479 P529 I530 A531	H113-L477 HydrophobicContact CB-CD1 3.98Å; T333-L477 HydrophobicContact CG2-CD2 4.09Å; I472-L477 CarbonylContact C-O 3.57Å; I472-L477 WeakPolarHBondContact CA-O 3.1Å; D473-L477 PolarHBondContact N-O 3.4Å; D473-L477 PolarHBondContact OD1-N 3.43Å; R475-L477 HydrophobicContact CB-CD1 4.31Å; R475-L477 HydrophobicContact CB-CG 4.16Å; R475-L477 PolarHBondContact O-N 3.46Å; L477-R479 PolarHBondContact O-N 3Å; L477-P529 HydrophobicContact CD2-CB 4.35Å; L477-I530 CarbonylContact C-O 3.53Å; L477-I530 WeakPolarHBondContact CA-O 3.29Å; L477-A531 HydrophobicContact CD2-CB 3.95Å
478	L	96.3	Very high	95.6	Very high	9 Å²	9	23.6 Å²	23.6	5%	0.047	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-70.9	124.6	171.8	-176.6	70.1	0	0	0	109.3	L354 I420 L423 Y526 I530	L354-L478 HydrophobicContact CD1-CB 4.39Å; L354-L478 HydrophobicContact CD1-CD1 4.38Å; I420-L478 HydrophobicContact CG2-CD2 3.72Å; L423-L478 HydrophobicContact CD1-CD1 3.96Å; L478-Y526 HydrophobicContact CD2-CE2 3.76Å; L478-I530 HydrophobicContact CB-CB 4.02Å; L478-I530 HydrophobicContact CB-CG2 4.11Å; L478-I530 HydrophobicContact CD2-CB 4.31Å; L478-I530 HydrophobicContact CD2-CD1 4.1Å; L478-I530 HydrophobicContact CD2-CG2 4.21Å; L478-I530 PolarHBondContact N-O 3.3Å
479	R	96.1	Very high	95.3	Very high	17 Å²	17	29.7 Å²	29.7	6%	0.064	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-62.4	139.7	176.5	-70.3	-160	-167.8	-113	3.7	111.4	H169 D170 L470 L471 L477 L523	H169-R479 PolarHBondContact CD2-NH1 2.91Å; H169-R479 PolarHBondContact NE2-NH1 2.97Å; D170-R479 IonicContact OD2-CZ 3.29Å; D170-R479 IonicContact OD2-NH1 3.36Å; D170-R479 PolarHBondContact OD2-NH1 3.5Å; D170-R479 IonicContact OD2-NH2 3.13Å; D170-R479 PolarHBondContact OD2-NH2 3.24Å; L470-R479 WeakPolarHBondContact O-CD 3.42Å; L470-R479 WeakPolarHBondContact O-CG 3.17Å; L470-R479 PolarHBondContact O-NE 2.91Å; L471-R479 PolarHBondContact O-N 3.49Å; L477-R479 PolarHBondContact O-N 3Å; R479-L523 HydrophobicContact CB-CD1 3.74Å
480	S	94.7	Very high	94.7	Very high	53 Å²	53	31 Å²	31	37%	0.371	16%	0.156	S	C	.	.			trans	-141.1	165.7	177.4	60.4	0	0	0	0	110.1	Y483 D524	S480-Y483 WeakPolarHBondContact O-CE2 3.22Å; S480-Y483 PolarHBondContact O-OH 2.67Å; S480-Y483 VanDerWaalsContact O-OH 3.1Å; S480-D524 WeakPolarHBondContact CB-O 3.3Å
481	G	95.6	Very high	93.4	Very high	10 Å²	10	33.5 Å²	33.5	10%	0.103	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.2	-161.2	175.1	0	0	0	0	0	114.9	V522 L523	G481-V522 WeakPolarHBondContact O-CA 3.35Å; G481-L523 PolarHBondContact N-O 2.79Å; G481-L523 PolarHBondContact O-N 2.99Å
482	E	97.2	Very high	91.6	Very high	135 Å²	135	34.7 Å²	34.7	63%	0.631	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101	140.9	-172.4	-64.8	172.1	-152.6	0	0	110.2	I521 V522 R525	E482-I521 WeakPolarHBondContact CA-O 3.34Å; E482-V522 HydrophobicContact CG-CG1 4.04Å; E482-V522 HydrophobicContact CG-CG2 4Å; E482-R525 IonicContact OE1-CZ 3.39Å; E482-R525 IonicContact OE1-NH2 2.69Å; E482-R525 PolarHBondContact OE1-NH2 3.48Å
483	Y	97.8	Very high	89.2	Confident	35 Å²	35	44 Å²	44	14%	0.137	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.4	178.3	-63.5	-97.8	0	0	0	110.2	L469 S480 L485 S520 I521 L523	L469-Y483 HydrophobicContact CD1-CD1 4.32Å; L469-Y483 HydrophobicContact CD1-CE1 4.29Å; L469-Y483 HydrophobicContact CD2-CD1 4.25Å; L469-Y483 HydrophobicContact CD2-CD2 4.26Å; L469-Y483 HydrophobicContact CD2-CE1 4.4Å; L469-Y483 HydrophobicContact CD2-CE2 4.44Å; L469-Y483 HydrophobicContact CD2-CG 4.2Å; S480-Y483 WeakPolarHBondContact O-CE2 3.22Å; S480-Y483 PolarHBondContact O-OH 2.67Å; S480-Y483 VanDerWaalsContact O-OH 3.1Å; Y483-L485 HydrophobicContact CD1-CD2 4.4Å; Y483-S520 WeakPolarHBondContact O-CA 2.99Å; Y483-I521 HydrophobicContact CD2-CG1 4.49Å; Y483-I521 PolarHBondContact N-O 3.05Å; Y483-I521 PolarHBondContact O-N 3.3Å; Y483-L523 HydrophobicContact CD2-CD1 4.28Å; Y483-L523 HydrophobicContact CD2-CG 4.47Å; Y483-L523 HydrophobicContact CE2-CD1 3.8Å; Y483-L523 HydrophobicContact CE2-CG 4.31Å
484	V	97.3	Very high	86.7	Confident	91 Å²	91	46.5 Å²	46.5	55%	0.552	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.8	166.1	-178.5	0	0	0	0	106.7	A518	V484-A518 HydrophobicContact CG1-CB 4.13Å
485	L	97.6	Very high	84.3	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.4	-171.8	-57.2	176.2	0	0	0	109.6	L431 V467 L469 Y483 T509 A518 I519 I521	L431-L485 HydrophobicContact CD1-CD1 4.19Å; V467-L485 HydrophobicContact CG1-CB 3.9Å; V467-L485 HydrophobicContact CG1-CD1 4.12Å; V467-L485 HydrophobicContact CG2-CB 4.07Å; L469-L485 HydrophobicContact CB-CD1 4.2Å; L469-L485 HydrophobicContact CD2-CD1 4.44Å; Y483-L485 HydrophobicContact CD1-CD2 4.4Å; L485-T509 HydrophobicContact CB-CG2 4.4Å; L485-T509 HydrophobicContact CD2-CG2 3.95Å; L485-A518 WeakPolarHBondContact O-CA 3.32Å; L485-I519 HydrophobicContact CB-CG2 3.97Å; L485-I519 PolarHBondContact N-O 3.37Å; L485-I519 PolarHBondContact O-N 2.6Å; L485-I521 HydrophobicContact CD1-CD1 4.04Å
486	H	97.2	Very high	82	Confident	31 Å²	31	57.3 Å²	57.3	14%	0.144	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.7	173.1	-73.3	-89.1	0	0	0	110.4	N510 K513 S516	H486-N510 HydrophobicContact CB-CB 4.11Å; H486-N510 WeakPolarHBondContact CB-O 3.41Å; H486-N510 PolarHBondContact O-N 3.45Å; H486-K513 PolarHBondContact CE1-O 3.27Å; H486-S516 PolarHBondContact ND1-OG 2.85Å
487	M	95.8	Very high	79.7	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-98.1	151.6	-165.9	-52.7	-173.1	71.8	0	0	112.4	L431 I433 V467 N510 M517 I519	L431-M487 WeakPolarHBondContact O-CE 3.41Å; I433-M487 HydrophobicContact CD1-CE 3.96Å; I433-M487 HydrophobicContact CD1-SD 3.38Å; I433-M487 WeakPolarHBondContact CD1-SD 3.4Å; I433-M487 HydrophobicContact CG1-CE 3.9Å; I433-M487 HydrophobicContact CG1-SD 3.99Å; V467-M487 HydrophobicContact CB-CB 4.33Å; V467-M487 HydrophobicContact CB-CE 4.4Å; V467-M487 HydrophobicContact CB-CG 4.02Å; V467-M487 HydrophobicContact CG1-CE 4.04Å; V467-M487 HydrophobicContact CG1-CG 3.94Å; M487-N510 WeakPolarHBondContact O-CB 3.36Å; M487-N510 PolarHBondContact O-ND2 2.84Å; M487-M517 HydrophobicContact CB-CB 4.39Å; M487-M517 HydrophobicContact CB-CG 4.45Å; M487-M517 WeakPolarHBondContact CB-O 3.2Å; M487-M517 HydrophobicContact CG-CG 4.31Å; M487-M517 PolarHBondContact N-O 2.96Å; M487-M517 HydrophobicContact SD-CG 3.83Å; M487-I519 HydrophobicContact CE-CG2 4.4Å; M487-I519 HydrophobicContact CG-CB 4.45Å; M487-I519 HydrophobicContact CG-CG2 3.94Å; M487-I519 HydrophobicContact SD-CB 3.8Å; M487-I519 HydrophobicContact SD-CG2 3.72Å
488	W	93.5	Very high	77.4	Confident	12 Å²	12	61.1 Å²	61.1	5%	0.045	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	140.9	172	-57	102.5	0	0	0	109.9	Y465 Y466 A508 T509 N510 M710 H711	Y465-W488 CarbonylContact C-O 3.53Å; Y465-W488 WeakPolarHBondContact CA-O 3.4Å; Y466-W488 HydrophobicContact CD1-CB 3.96Å; Y466-W488 HydrophobicContact CD2-CB 4.42Å; Y466-W488 HydrophobicContact CE1-CB 3.46Å; Y466-W488 VanDerWaalsContact CE1-CB 3.46Å; Y466-W488 HydrophobicContact CE1-CG 4.42Å; Y466-W488 HydrophobicContact CE2-CB 3.94Å; Y466-W488 AromaticContact CE2-CD1 3.79Å; Y466-W488 HydrophobicContact CE2-CG 4.11Å; Y466-W488 HydrophobicContact CG-CB 4.43Å; Y466-W488 VanDerWaalsContact CZ-CB 3.46Å; Y466-W488 AromaticContact CZ-CG 3.95Å; Y466-W488 PolarHBondContact N-O 3.47Å; Y466-W488 PolarHBondContact O-N 3.4Å; W488-A508 HydrophobicContact CZ2-CB 4.2Å; W488-A508 PolarHBondContact NE1-O 3.17Å; W488-T509 WeakPolarHBondContact CZ2-O 2.99Å; W488-N510 HydrophobicContact CD2-CB 4.15Å; W488-N510 HydrophobicContact CE3-CB 4.07Å; W488-N510 HydrophobicContact CH2-CB 4.44Å; W488-N510 HydrophobicContact CZ2-CB 4.5Å; W488-N510 HydrophobicContact CZ3-CB 4.22Å; W488-M710 HydrophobicContact CH2-CB 3.94Å; W488-M710 HydrophobicContact CZ3-CB 3.94Å; W488-H711 AromaticContact CD2-CD2 3.37Å; W488-H711 AromaticContact CD2-NE2 3.52Å; W488-H711 AromaticContact CE2-CD2 3.54Å; W488-H711 AromaticContact CE3-CD2 3.55Å; W488-H711 AromaticContact CE3-NE2 3.41Å; W488-H711 AromaticContact CG-CD2 3.87Å; W488-H711 AromaticContact CG-NE2 3.87Å; W488-H711 AromaticContact CZ2-CD2 3.86Å; W488-H711 AromaticContact CZ3-CD2 3.87Å; W488-H711 AromaticContact CZ3-NE2 3.99Å
489	K	89.8	Confident	75.2	Confident	127 Å²	127	61 Å²	61	55%	0.552	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	136.1	175.8	-174.6	-178.9	175.1	-167.4	0	109.9	Y465 P491	Y465-K489 HydrophobicContact CD1-CB 3.97Å; Y465-K489 HydrophobicContact CD1-CG 4.21Å; Y465-K489 HydrophobicContact CE1-CB 3.81Å; Y465-K489 HydrophobicContact CE1-CD 4.27Å; Y465-K489 HydrophobicContact CE1-CG 3.73Å; K489-P491 WeakPolarHBondContact O-CD 3.36Å
490	I	84.7	Confident	73.4	Confident	28 Å²	28	61.9 Å²	61.9	14%	0.144	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-76.2	122.2	167.2	-61.1	-65	0	0	0	108.2	L463 L464 Y466 I500	L463-I490 HydrophobicContact CD2-CD1 4.08Å; L463-I490 HydrophobicContact CD2-CG1 4Å; L463-I490 HydrophobicContact CG-CG1 3.89Å; L464-I490 PolarHBondContact O-N 3.41Å; Y466-I490 HydrophobicContact CD1-CD1 3.4Å; Y466-I490 HydrophobicContact CD1-CG1 4.04Å; Y466-I490 HydrophobicContact CE1-CD1 3.58Å; Y466-I490 HydrophobicContact CE1-CG1 4.49Å; I490-I500 HydrophobicContact CD1-CD1 4.04Å; I490-I500 HydrophobicContact CG2-CD1 4.11Å
491	P	70.5	Confident	72	Confident	52 Å²	52	62.7 Å²	62.7	34%	0.338	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-52.6	142.5	173.4	-23.1	32.6	0	0	0	112.3	K489 E495 I500	K489-P491 WeakPolarHBondContact O-CD 3.36Å; P491-E495 HydrophobicContact CB-CB 4.23Å; P491-I500 VanDerWaalsContact CD-CD1 3.42Å; P491-I500 HydrophobicContact CG-CD1 4.13Å
492	G	58.7	Low	70.8	Confident	27 Å²	27	62.2 Å²	62.2	28%	0.278	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-68.8	162	179.5	0	0	0	0	0	113.2	G494 E495	G492-G494 PolarHBondContact O-N 3.11Å; G492-E495 PolarHBondContact N-OE2 3.43Å; G492-E495 PolarHBondContact O-N 3.37Å
493	K	46.4	Very low	70.2	Confident	195 Å²	195	56.8 Å²	56.8	85%	0.848	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	105.4	169.4	-71.2	-171.5	176.9	-169.1	0	109.2
494	G	41.4	Very low	69.5	Low	75 Å²	75	58 Å²	58	77%	0.773	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.3	-9.4	-179.7	0	0	0	0	0	115.6	G492	G492-G494 PolarHBondContact O-N 3.11Å
495	E	43	Very low	69	Low	108 Å²	108	55.4 Å²	55.4	51%	0.505	30%	0.295	S	S	.	.	S	Bend	trans	-84.6	146.5	165.1	-68.7	173	163.3	0	0	108.8	P491 G492 Q497	P491-E495 HydrophobicContact CB-CB 4.23Å; G492-E495 PolarHBondContact N-OE2 3.43Å; G492-E495 PolarHBondContact O-N 3.37Å; E495-Q497 WeakPolarHBondContact O-CG 3.48Å; E495-Q497 PolarHBondContact O-N 3.31Å
496	E	42.5	Very low	68.6	Low	143 Å²	143	55.6 Å²	55.6	67%	0.668	30%	0.296	S	S	*	.			trans	-37	99.8	-174.4	-73.6	179	165.5	0	0	111.4	G498 K878	E496-G498 VanDerWaalsContact C-N 3.28Å; E496-G498 PolarHBondContact O-N 3.43Å; E496-K878 IonicContact OE1-NZ 3.85Å; E496-K878 IonicContact OE2-NZ 3Å; E496-K878 PolarHBondContact OE2-NZ 2.86Å; E496-K878 VanDerWaalsContact OE2-NZ 3.14Å
497	Q	43.6	Very low	68.3	Low	115 Å²	115	54.6 Å²	54.6	54%	0.537	29%	0.293	S	S	.	.			trans	-77	77.7	-174.9	-72.8	178	-30.7	0	0	108.8	E495 P1043 T1046	E495-Q497 WeakPolarHBondContact O-CG 3.48Å; E495-Q497 PolarHBondContact O-N 3.31Å; Q497-P1043 CarbonylContact O-C 3.56Å; Q497-T1046 HydrophobicContact CB-CG2 4.25Å; Q497-T1046 WeakPolarHBondContact O-CG2 3.46Å
498	G	46.1	Very low	68.1	Low	19 Å²	19	55.1 Å²	55.1	20%	0.196	30%	0.297	C	S	.	.			trans	-72.9	142.1	158.4	0	0	0	0	0	109.4	E496 I500 M1042	E496-G498 VanDerWaalsContact C-N 3.28Å; E496-G498 PolarHBondContact O-N 3.43Å; G498-I500 WeakPolarHBondContact O-CG1 3.45Å; G498-I500 PolarHBondContact O-N 3.1Å; G498-M1042 WeakPolarHBondContact CA-O 3.45Å
499	S	50.5	Low	68.2	Low	5 Å²	5	55 Å²	55	4%	0.035	30%	0.298	C	S	.	.			trans	-60	113	167.3	156.2	0	0	0	0	109.6	N501 L1038 G1041 L1045	S499-N501 PolarHBondContact O-N 3.39Å; S499-N501 VanDerWaalsContact O-N 3.15Å; S499-N501 PolarHBondContact OG-ND2 2.79Å; S499-N501 VanDerWaalsContact OG-ND2 3.11Å; S499-L1038 WeakPolarHBondContact CB-O 3.33Å; S499-L1038 PolarHBondContact OG-O 2.65Å; S499-G1041 VanDerWaalsContact O-CA 3.22Å; S499-G1041 WeakPolarHBondContact O-CA 3.49Å; S499-G1041 PolarHBondContact O-N 3.22Å; S499-L1045 WeakPolarHBondContact CB-O 3.35Å; S499-L1045 PolarHBondContact N-O 3.07Å
500	I	57.3	Low	68.4	Low	37 Å²	37	50 Å²	50	19%	0.19	28%	0.277	C	S	.	.			trans	-80.4	14.4	-178.2	-39.2	160.7	0	0	0	110	Y466 I490 P491 G498 D503 K504	Y466-I500 HydrophobicContact CE1-CG2 4.22Å; I490-I500 HydrophobicContact CD1-CD1 4.04Å; I490-I500 HydrophobicContact CG2-CD1 4.11Å; P491-I500 VanDerWaalsContact CD-CD1 3.42Å; P491-I500 HydrophobicContact CG-CD1 4.13Å; G498-I500 WeakPolarHBondContact O-CG1 3.45Å; G498-I500 PolarHBondContact O-N 3.1Å; I500-D503 HydrophobicContact CG2-CB 3.75Å; I500-D503 PolarHBondContact O-N 2.93Å; I500-K504 HydrophobicContact CB-CG 4.36Å; I500-K504 HydrophobicContact CG2-CG 4.01Å; I500-K504 VanDerWaalsContact O-CB 3.25Å; I500-K504 WeakPolarHBondContact O-CB 3.43Å; I500-K504 WeakPolarHBondContact O-CG 3.42Å; I500-K504 PolarHBondContact O-N 2.97Å
501	N	65.6	Low	68.7	Low	70 Å²	70	50.7 Å²	50.7	37%	0.374	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-40.7	-164.9	-72.1	-30.1	0	0	0	113.1	S499 M1039	S499-N501 PolarHBondContact O-N 3.39Å; S499-N501 VanDerWaalsContact O-N 3.15Å; S499-N501 PolarHBondContact OG-ND2 2.79Å; S499-N501 VanDerWaalsContact OG-ND2 3.11Å; N501-M1039 HydrophobicContact CB-CB 4.29Å; N501-M1039 HydrophobicContact CB-CG 4.15Å
502	A	71.1	Confident	69.8	Low	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-51.5	170	0	0	0	0	0	109.7	K504 L505 K671 F672 Y712 M1039	A502-K504 PolarHBondContact O-N 3.29Å; A502-K504 VanDerWaalsContact O-N 3.08Å; A502-L505 WeakPolarHBondContact O-CA 3.45Å; A502-L505 VanDerWaalsContact O-CB 3.3Å; A502-L505 WeakPolarHBondContact O-CB 3.48Å; A502-L505 PolarHBondContact O-N 3.25Å; A502-K671 HydrophobicContact CB-CB 4.2Å; A502-K671 HydrophobicContact CB-CD 4.41Å; A502-F672 HydrophobicContact CB-CD1 4.34Å; A502-F672 HydrophobicContact CB-CE1 3.65Å; A502-F672 HydrophobicContact CB-CZ 4.41Å; A502-Y712 VanDerWaalsContact C-OH 3.22Å; A502-Y712 PolarHBondContact O-OH 3.46Å; A502-M1039 WeakPolarHBondContact CA-O 3.42Å; A502-M1039 HydrophobicContact CB-CB 4.47Å; A502-M1039 WeakPolarHBondContact CB-O 3.49Å; A502-M1039 PolarHBondContact N-O 3.15Å
503	D	83.8	Confident	71.4	Confident	21 Å²	21	55 Å²	55	11%	0.112	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-51.8	-37.5	179.9	-68.7	-8.5	0	0	0	112	Y466 I500 L505 T506 H711 Y712	Y466-D503 PolarHBondContact OH-O 3.38Å; I500-D503 HydrophobicContact CG2-CB 3.75Å; I500-D503 PolarHBondContact O-N 2.93Å; D503-L505 PolarHBondContact O-N 3.46Å; D503-L505 VanDerWaalsContact O-N 3.12Å; D503-T506 WeakPolarHBondContact O-CB 3.42Å; D503-T506 WeakPolarHBondContact O-CG2 3.42Å; D503-T506 PolarHBondContact O-N 3.49Å; D503-H711 IonicContact OD1-CG 3.5Å; D503-H711 IonicContact OD1-ND1 3.07Å; D503-H711 IonicContact OD2-CE1 2.65Å; D503-H711 PolarHBondContact OD2-CE1 3.2Å; D503-H711 VanDerWaalsContact OD2-CE1 3.27Å; D503-H711 IonicContact OD2-ND1 3.77Å; D503-H711 PolarHBondContact OD2-ND1 2.93Å; D503-Y712 WeakPolarHBondContact OD1-CE2 3.36Å
504	K	82.9	Confident	73.5	Confident	61 Å²	61	53.4 Å²	53.4	27%	0.265	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-63.2	-12.8	174	-80.8	179.4	73.6	-172.9	0	115.7	Y466 N468 I500 A502	Y466-K504 HydrophobicContact CD1-CG 4.43Å; Y466-K504 HydrophobicContact CD2-CG 4.27Å; Y466-K504 HydrophobicContact CE1-CG 4.17Å; Y466-K504 VanDerWaalsContact CE2-CA 3.46Å; Y466-K504 HydrophobicContact CE2-CB 4.31Å; Y466-K504 HydrophobicContact CE2-CG 4.03Å; Y466-K504 HydrophobicContact CG-CG 4.46Å; N468-K504 PolarHBondContact ND2-O 2.92Å; I500-K504 HydrophobicContact CB-CG 4.36Å; I500-K504 HydrophobicContact CG2-CG 4.01Å; I500-K504 VanDerWaalsContact O-CB 3.25Å; I500-K504 WeakPolarHBondContact O-CB 3.43Å; I500-K504 WeakPolarHBondContact O-CG 3.42Å; I500-K504 PolarHBondContact O-N 2.97Å; A502-K504 PolarHBondContact O-N 3.29Å; A502-K504 VanDerWaalsContact O-N 3.08Å
505	L	86.4	Confident	75.8	Confident	36 Å²	36	54.8 Å²	54.8	19%	0.188	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-100.2	-7.2	175.9	-58.3	172.2	0	0	0	112.5	A502 D503 S507 C636 F672	A502-L505 WeakPolarHBondContact O-CA 3.45Å; A502-L505 VanDerWaalsContact O-CB 3.3Å; A502-L505 WeakPolarHBondContact O-CB 3.48Å; A502-L505 PolarHBondContact O-N 3.25Å; D503-L505 PolarHBondContact O-N 3.46Å; D503-L505 VanDerWaalsContact O-N 3.12Å; L505-S507 PolarHBondContact O-N 2.95Å; L505-C636 HydrophobicContact CD1-CB 3.72Å; L505-F672 HydrophobicContact CD1-CD1 4.24Å
506	T	91.1	Very high	78.2	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.025	26%	0.257	C	S	.	.			trans	-60.8	138.6	-179	-167.2	0	0	0	0	111.6	N468 D503 A508 H711	N468-T506 WeakPolarHBondContact CB-O 3.45Å; N468-T506 PolarHBondContact ND2-O 3.29Å; D503-T506 WeakPolarHBondContact O-CB 3.42Å; D503-T506 WeakPolarHBondContact O-CG2 3.42Å; D503-T506 PolarHBondContact O-N 3.49Å; T506-A508 VanDerWaalsContact C-N 3.34Å; T506-A508 HydrophobicContact CG2-CB 4.43Å; T506-A508 WeakPolarHBondContact OG1-CB 3.49Å; T506-A508 PolarHBondContact OG1-N 3.42Å; T506-A508 VanDerWaalsContact OG1-N 3.16Å; T506-H711 HydrophobicContact CG2-CB 4.1Å; T506-H711 PolarHBondContact OG1-O 3.4Å
507	S	89.9	Confident	80.7	Confident	11 Å²	11	43.4 Å²	43.4	8%	0.077	23%	0.226	C	C	.	.			trans	-86.4	-6.6	169	53.8	0	0	0	0	112.8	L505	L505-S507 PolarHBondContact O-N 2.95Å
508	A	92.5	Very high	83.3	Confident	11 Å²	11	38.3 Å²	38.3	9%	0.091	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-68.7	144.2	177.2	0	0	0	0	0	111.3	W488 T506 H711	W488-A508 HydrophobicContact CZ2-CB 4.2Å; W488-A508 PolarHBondContact NE1-O 3.17Å; T506-A508 VanDerWaalsContact C-N 3.34Å; T506-A508 HydrophobicContact CG2-CB 4.43Å; T506-A508 WeakPolarHBondContact OG1-CB 3.49Å; T506-A508 PolarHBondContact OG1-N 3.42Å; T506-A508 VanDerWaalsContact OG1-N 3.16Å; A508-H711 WeakPolarHBondContact CB-O 3.43Å
509	T	94	Very high	85.8	Confident	10 Å²	10	37.4 Å²	37.4	6%	0.061	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-89.8	156.7	169.1	49.4	0	0	0	0	110.7	N167 V467 L485 W488 P511	N167-T509 PolarHBondContact ND2-O 2.74Å; N167-T509 PolarHBondContact OD1-OG1 2.85Å; V467-T509 HydrophobicContact CG2-CG2 4.27Å; L485-T509 HydrophobicContact CB-CG2 4.4Å; L485-T509 HydrophobicContact CD2-CG2 3.95Å; W488-T509 WeakPolarHBondContact CZ2-O 2.99Å; T509-P511 WeakPolarHBondContact O-CD 3.47Å
510	N	94.1	Very high	88.1	Confident	21 Å²	21	38.3 Å²	38.3	11%	0.112	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-66.5	122.7	177.6	-172.5	-19.2	0	0	0	110.7	N167 H486 M487 W488 D512 S516	N167-N510 PolarHBondContact OD1-O 2.89Å; H486-N510 HydrophobicContact CB-CB 4.11Å; H486-N510 WeakPolarHBondContact CB-O 3.41Å; H486-N510 PolarHBondContact O-N 3.45Å; M487-N510 WeakPolarHBondContact O-CB 3.36Å; M487-N510 PolarHBondContact O-ND2 2.84Å; W488-N510 HydrophobicContact CD2-CB 4.15Å; W488-N510 HydrophobicContact CE3-CB 4.07Å; W488-N510 HydrophobicContact CH2-CB 4.44Å; W488-N510 HydrophobicContact CZ2-CB 4.5Å; W488-N510 HydrophobicContact CZ3-CB 4.22Å; N510-D512 VanDerWaalsContact C-N 3.28Å; N510-D512 PolarHBondContact O-N 2.69Å; N510-D512 PolarHBondContact OD1-N 2.94Å; N510-S516 WeakPolarHBondContact ND2-CB 3.36Å
511	P	92.4	Very high	90	Very high	43 Å²	43	36.7 Å²	36.7	28%	0.279	19%	0.192	S	C	.	.	S	Bend	trans	-69.5	-22.1	-179.3	27.3	-34.6	0	0	0	113.9	N167 T509 K513 M710	N167-P511 HydrophobicContact CB-CB 4.18Å; T509-P511 WeakPolarHBondContact O-CD 3.47Å; P511-K513 VanDerWaalsContact C-N 3.31Å; P511-K513 PolarHBondContact O-N 3.31Å; P511-M710 HydrophobicContact CG-SD 4.32Å
512	D	92.3	Very high	91.6	Very high	67 Å²	67	34.6 Å²	34.6	36%	0.358	18%	0.182	S	C	.	.			trans	-79.4	76.7	179.1	-176.8	1.6	0	0	0	111	N510 E514 N515 S516	N510-D512 VanDerWaalsContact C-N 3.28Å; N510-D512 PolarHBondContact O-N 2.69Å; N510-D512 PolarHBondContact OD1-N 2.94Å; D512-E514 PolarHBondContact O-N 3.05Å; D512-N515 PolarHBondContact OD1-N 3.05Å; D512-N515 PolarHBondContact OD1-ND2 2.93Å; D512-N515 WeakPolarHBondContact OD2-CB 3.41Å; D512-N515 PolarHBondContact OD2-ND2 3.3Å; D512-S516 WeakPolarHBondContact O-CB 3.45Å; D512-S516 PolarHBondContact O-N 3.47Å; D512-S516 PolarHBondContact O-OG 3.46Å
513	K	92	Very high	92.9	Very high	103 Å²	103	34.7 Å²	34.7	45%	0.448	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.7	-178	-59.5	-171.5	-173.7	176.7	0	113.6	S166 H486 P511	S166-K513 WeakPolarHBondContact O-CE 3.48Å; S166-K513 PolarHBondContact O-NZ 2.89Å; H486-K513 PolarHBondContact CE1-O 3.27Å; P511-K513 VanDerWaalsContact C-N 3.31Å; P511-K513 PolarHBondContact O-N 3.31Å
514	E	90.6	Very high	93.4	Very high	161 Å²	161	34.2 Å²	34.2	75%	0.752	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-29.7	-174.7	-65.4	-175.7	176	0	0	112.8	P371 D512	P371-E514 WeakPolarHBondContact CG-O 3.43Å; D512-E514 PolarHBondContact O-N 3.05Å
515	N	90.8	Very high	93.9	Very high	104 Å²	104	39.4 Å²	39.4	56%	0.556	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-14.4	-175.8	-52.5	-75.5	0	0	0	114	D512	D512-N515 PolarHBondContact OD1-N 3.05Å; D512-N515 PolarHBondContact OD1-ND2 2.93Å; D512-N515 WeakPolarHBondContact OD2-CB 3.41Å; D512-N515 PolarHBondContact OD2-ND2 3.3Å
516	S	93.7	Very high	94	Very high	11 Å²	11	40.9 Å²	40.9	8%	0.077	20%	0.201	C	C	.	.	S	Bend	trans	-80.6	154.7	-178.8	64.6	0	0	0	0	113.3	P371 H486 N510 D512	P371-S516 WeakPolarHBondContact CD-O 3.23Å; H486-S516 PolarHBondContact ND1-OG 2.85Å; N510-S516 WeakPolarHBondContact ND2-CB 3.36Å; D512-S516 WeakPolarHBondContact O-CB 3.45Å; D512-S516 PolarHBondContact O-N 3.47Å; D512-S516 PolarHBondContact O-OG 3.46Å
517	M	95.1	Very high	93.7	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.24	C	C	.	.			trans	-67.6	136.3	166.2	171.3	72.3	78.4	0	0	109.6	I368 D369 I370 F404 I433 Y465 M487	I368-M517 HydrophobicContact CB-SD 3.73Å; I368-M517 HydrophobicContact CD1-CE 4.05Å; I368-M517 HydrophobicContact CD1-SD 4.21Å; I368-M517 HydrophobicContact CG1-SD 4.17Å; D369-M517 CarbonylContact O-C 3.46Å; D369-M517 WeakPolarHBondContact O-CA 3.41Å; I370-M517 HydrophobicContact CB-CB 4.48Å; I370-M517 HydrophobicContact CB-CE 3.56Å; I370-M517 HydrophobicContact CB-SD 3.76Å; I370-M517 HydrophobicContact CD1-CB 4.43Å; I370-M517 HydrophobicContact CD1-CE 3.92Å; I370-M517 HydrophobicContact CG1-CB 4.47Å; I370-M517 HydrophobicContact CG1-CE 4.24Å; I370-M517 HydrophobicContact CG2-CE 3.82Å; I370-M517 HydrophobicContact CG2-SD 4.43Å; F404-M517 HydrophobicContact CE2-CE 3.7Å; F404-M517 HydrophobicContact CZ-CE 3.74Å; I433-M517 HydrophobicContact CD1-CE 4.02Å; I433-M517 HydrophobicContact CD1-CG 3.65Å; I433-M517 HydrophobicContact CD1-SD 3.95Å; Y465-M517 HydrophobicContact CD1-CB 3.92Å; Y465-M517 HydrophobicContact CD2-CB 4.46Å; Y465-M517 HydrophobicContact CD2-CE 4.12Å; Y465-M517 HydrophobicContact CD2-CG 4.41Å; Y465-M517 HydrophobicContact CE1-CB 4.09Å; Y465-M517 HydrophobicContact CE2-CE 3.99Å; Y465-M517 HydrophobicContact CG-CB 4.14Å; Y465-M517 HydrophobicContact CG-CG 4.28Å; M487-M517 HydrophobicContact CB-CB 4.39Å; M487-M517 HydrophobicContact CB-CG 4.45Å; M487-M517 WeakPolarHBondContact CB-O 3.2Å; M487-M517 HydrophobicContact CG-CG 4.31Å; M487-M517 PolarHBondContact N-O 2.96Å; M487-M517 HydrophobicContact SD-CG 3.83Å
518	A	97.2	Very high	93.5	Very high	8 Å²	8	49.2 Å²	49.2	7%	0.066	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.7	170.4	0	0	0	0	0	111.1	I368 D369 V484 L485	I368-A518 CarbonylContact C-O 3.55Å; I368-A518 VanDerWaalsContact CA-O 3.23Å; I368-A518 WeakPolarHBondContact CA-O 3.32Å; D369-A518 PolarHBondContact N-O 2.95Å; D369-A518 PolarHBondContact O-N 2.73Å; V484-A518 HydrophobicContact CG1-CB 4.13Å; L485-A518 WeakPolarHBondContact O-CA 3.32Å
519	I	98.2	Very high	93.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.5	169.5	-174.6	167.3	0	0	0	110.3	I365 I368 V383 L431 V467 L485 M487 I521	I365-I519 HydrophobicContact CG2-CD1 4.49Å; I368-I519 HydrophobicContact CG2-CB 4.03Å; I368-I519 HydrophobicContact CG2-CD1 4.1Å; I368-I519 HydrophobicContact CG2-CG1 3.85Å; V383-I519 HydrophobicContact CG1-CD1 3.86Å; V383-I519 HydrophobicContact CG2-CD1 4.14Å; L431-I519 HydrophobicContact CB-CD1 4.38Å; L431-I519 HydrophobicContact CD1-CD1 4.26Å; L431-I519 HydrophobicContact CD1-CG2 4.23Å; V467-I519 HydrophobicContact CG1-CG2 3.79Å; L485-I519 HydrophobicContact CB-CG2 3.97Å; L485-I519 PolarHBondContact N-O 3.37Å; L485-I519 PolarHBondContact O-N 2.6Å; M487-I519 HydrophobicContact CE-CG2 4.4Å; M487-I519 HydrophobicContact CG-CB 4.45Å; M487-I519 HydrophobicContact CG-CG2 3.94Å; M487-I519 HydrophobicContact SD-CB 3.8Å; M487-I519 HydrophobicContact SD-CG2 3.72Å; I519-I521 HydrophobicContact CD1-CG2 4.29Å; I519-I521 HydrophobicContact CG1-CG2 4Å
520	S	98.5	Very high	93.3	Very high	25 Å²	25	51.3 Å²	51.3	18%	0.175	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123	178	-67.4	0	0	0	0	110.5	I366 G367 Y483	I366-S520 WeakPolarHBondContact CB-O 3.49Å; I366-S520 PolarHBondContact N-O 3.1Å; G367-S520 PolarHBondContact N-O 2.86Å; G367-S520 PolarHBondContact O-N 3.32Å; Y483-S520 WeakPolarHBondContact O-CA 2.99Å
521	I	98.5	Very high	93.2	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	159.3	-178.3	67.6	172	0	0	0	112.6	V363 K364 I365 L429 L431 L469 E482 Y483 L485 I519	V363-I521 HydrophobicContact CG2-CB 4.01Å; V363-I521 HydrophobicContact CG2-CD1 4.22Å; V363-I521 HydrophobicContact CG2-CG2 4.45Å; K364-I521 CarbonylContact O-C 3.57Å; K364-I521 WeakPolarHBondContact O-CA 3.25Å; K364-I521 WeakPolarHBondContact O-CB 3.26Å; I365-I521 HydrophobicContact CD1-CG2 3.78Å; L429-I521 HydrophobicContact CD2-CD1 4.18Å; L431-I521 HydrophobicContact CD1-CD1 3.97Å; L431-I521 HydrophobicContact CD1-CG2 3.94Å; L469-I521 HydrophobicContact CD2-CD1 4.1Å; E482-I521 WeakPolarHBondContact CA-O 3.34Å; Y483-I521 HydrophobicContact CD2-CG1 4.49Å; Y483-I521 PolarHBondContact N-O 3.05Å; Y483-I521 PolarHBondContact O-N 3.3Å; L485-I521 HydrophobicContact CD1-CD1 4.04Å; I519-I521 HydrophobicContact CD1-CG2 4.29Å; I519-I521 HydrophobicContact CG1-CG2 4Å
522	V	98.6	Very high	93.2	Very high	26 Å²	26	49.1 Å²	49.1	16%	0.158	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.5	171.4	-167.1	0	0	0	0	110.3	K364 I366 G481 E482	K364-V522 HydrophobicContact CB-CB 3.92Å; K364-V522 HydrophobicContact CB-CG2 4.45Å; K364-V522 HydrophobicContact CD-CG2 4.48Å; K364-V522 PolarHBondContact N-O 3.14Å; K364-V522 PolarHBondContact O-N 3.25Å; I366-V522 HydrophobicContact CD1-CG2 3.78Å; I366-V522 HydrophobicContact CG1-CG2 3.75Å; G481-V522 WeakPolarHBondContact O-CA 3.35Å; E482-V522 HydrophobicContact CG-CG1 4.04Å; E482-V522 HydrophobicContact CG-CG2 4Å
523	L	98	Very high	93	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	152	168	-62.7	178.5	0	0	0	110	F361 V363 L429 L469 R479 G481 Y483 R525	F361-L523 HydrophobicContact CE2-CD2 4.22Å; F361-L523 HydrophobicContact CZ-CD2 3.74Å; V363-L523 HydrophobicContact CB-CD2 4.07Å; V363-L523 HydrophobicContact CG2-CD2 3.78Å; L429-L523 HydrophobicContact CD2-CD2 4.38Å; L469-L523 HydrophobicContact CD2-CD1 4.09Å; R479-L523 HydrophobicContact CB-CD1 3.74Å; G481-L523 PolarHBondContact N-O 2.79Å; G481-L523 PolarHBondContact O-N 2.99Å; Y483-L523 HydrophobicContact CD2-CD1 4.28Å; Y483-L523 HydrophobicContact CD2-CG 4.47Å; Y483-L523 HydrophobicContact CE2-CD1 3.8Å; Y483-L523 HydrophobicContact CE2-CG 4.31Å; L523-R525 PolarHBondContact O-N 3.13Å
524	D	95.6	Very high	92.6	Very high	12 Å²	12	45 Å²	45	6%	0.064	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-54.5	134.5	177.8	-86	-41.6	0	0	0	111.2	R359 R362 W413 S480 Y526	R359-D524 IonicContact CZ-OD2 2.93Å; R359-D524 IonicContact NH1-OD1 3.99Å; R359-D524 IonicContact NH1-OD2 3.32Å; R362-D524 WeakPolarHBondContact CG-OD2 3.37Å; R362-D524 IonicContact CZ-OD1 2.68Å; R362-D524 VanDerWaalsContact CZ-OD1 3.29Å; R362-D524 IonicContact CZ-OD2 3.88Å; R362-D524 IonicContact NE-OD1 3.12Å; R362-D524 PolarHBondContact NE-OD1 3.02Å; R362-D524 IonicContact NE-OD2 3.95Å; R362-D524 PolarHBondContact NE-OD2 3.37Å; R362-D524 IonicContact NH2-OD1 2.72Å; R362-D524 PolarHBondContact NH2-OD1 2.71Å; R362-D524 IonicContact NH2-OD2 3.91Å; W413-D524 WeakPolarHBondContact CH2-OD1 3.47Å; S480-D524 WeakPolarHBondContact CB-O 3.3Å; D524-Y526 HydrophobicContact CB-CE1 4.21Å; D524-Y526 HydrophobicContact CB-CE2 4.17Å; D524-Y526 VanDerWaalsContact O-CE2 3.31Å; D524-Y526 WeakPolarHBondContact O-CE2 3.21Å
525	R	93.1	Very high	91.7	Very high	169 Å²	169	39.8 Å²	39.8	64%	0.638	21%	0.205	S	C	*	.	P	Polyproline II helix	trans	-94.6	135.4	171.6	-67.6	-174.2	-175.9	168.3	7.5	109.4	E482 L523	E482-R525 IonicContact OE1-CZ 3.39Å; E482-R525 IonicContact OE1-NH2 2.69Å; E482-R525 PolarHBondContact OE1-NH2 3.48Å; L523-R525 PolarHBondContact O-N 3.13Å
526	Y	87.8	Confident	90.7	Very high	68 Å²	68	40 Å²	40	27%	0.267	20%	0.197	S	C	.	.			trans	-113.7	157.8	-179.1	-53.7	-80.5	0	0	0	110.3	I420 L478 D524 H528 I530	I420-Y526 HydrophobicContact CD1-CE1 4.34Å; I420-Y526 VanDerWaalsContact CD1-OH 3.23Å; I420-Y526 WeakPolarHBondContact CD1-OH 3.31Å; L478-Y526 HydrophobicContact CD2-CE2 3.76Å; D524-Y526 HydrophobicContact CB-CE1 4.21Å; D524-Y526 HydrophobicContact CB-CE2 4.17Å; D524-Y526 VanDerWaalsContact O-CE2 3.31Å; D524-Y526 WeakPolarHBondContact O-CE2 3.21Å; Y526-H528 VanDerWaalsContact C-N 3.28Å; Y526-H528 WeakPolarHBondContact CB-O 3.46Å; Y526-H528 PolarHBondContact O-N 3.26Å; Y526-I530 HydrophobicContact CD1-CD1 3.42Å; Y526-I530 VanDerWaalsContact CD1-CD1 3.42Å; Y526-I530 HydrophobicContact CD1-CG1 4.49Å; Y526-I530 HydrophobicContact CD2-CD1 3.5Å; Y526-I530 HydrophobicContact CD2-CG1 4.17Å; Y526-I530 HydrophobicContact CE1-CD1 3.56Å; Y526-I530 HydrophobicContact CE2-CD1 3.67Å; Y526-I530 HydrophobicContact CG-CD1 3.37Å; Y526-I530 HydrophobicContact CG-CG1 4.08Å
527	C	84.6	Confident	89.3	Confident	124 Å²	124	45.2 Å²	45.2	84%	0.838	22%	0.223	S	C	*	.	S	Bend	trans	-66.9	-33.1	180	-57.1	0	0	0	0	112.3
528	H	86.3	Confident	87.5	Confident	65 Å²	65	48.3 Å²	48.3	30%	0.301	24%	0.243	S	C	.	.	S	Bend	trans	-131.4	152.6	177.3	-58	-68.6	0	0	0	109.5	V349 I352 Y526 I530	V349-H528 PolarHBondContact O-CE1 3.02Å; V349-H528 VanDerWaalsContact O-CE1 3.23Å; V349-H528 PolarHBondContact O-ND1 2.79Å; I352-H528 HydrophobicContact CD1-CB 3.92Å; I352-H528 HydrophobicContact CG1-CB 4.02Å; Y526-H528 VanDerWaalsContact C-N 3.28Å; Y526-H528 WeakPolarHBondContact CB-O 3.46Å; Y526-H528 PolarHBondContact O-N 3.26Å; H528-I530 PolarHBondContact O-N 3.11Å
529	P	89.7	Confident	85.5	Confident	61 Å²	61	53.1 Å²	53.1	40%	0.396	28%	0.276	S	S	.	.			trans	-53.6	136.2	172.2	-25.1	34.4	0	0	0	111.7	F350 I352 L477	F350-P529 WeakPolarHBondContact O-CD 3.39Å; I352-P529 PolarHBondContact N-O 3.05Å; L477-P529 HydrophobicContact CD2-CB 4.35Å
530	I	92.4	Very high	83.3	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.7	175.5	-64.7	176.1	0	0	0	108.2	I352 L354 L477 L478 Y526 H528	I352-I530 HydrophobicContact CB-CG1 4.45Å; I352-I530 CarbonylContact O-C 3.53Å; I352-I530 WeakPolarHBondContact O-CA 3.43Å; L354-I530 HydrophobicContact CB-CG2 3.7Å; L354-I530 HydrophobicContact CD1-CG2 4.31Å; L354-I530 HydrophobicContact CG-CG2 4.18Å; L477-I530 CarbonylContact C-O 3.53Å; L477-I530 WeakPolarHBondContact CA-O 3.29Å; L478-I530 HydrophobicContact CB-CB 4.02Å; L478-I530 HydrophobicContact CB-CG2 4.11Å; L478-I530 HydrophobicContact CD2-CB 4.31Å; L478-I530 HydrophobicContact CD2-CD1 4.1Å; L478-I530 HydrophobicContact CD2-CG2 4.21Å; L478-I530 PolarHBondContact N-O 3.3Å; Y526-I530 HydrophobicContact CD1-CD1 3.42Å; Y526-I530 VanDerWaalsContact CD1-CD1 3.42Å; Y526-I530 HydrophobicContact CD1-CG1 4.49Å; Y526-I530 HydrophobicContact CD2-CD1 3.5Å; Y526-I530 HydrophobicContact CD2-CG1 4.17Å; Y526-I530 HydrophobicContact CE1-CD1 3.56Å; Y526-I530 HydrophobicContact CE2-CD1 3.67Å; Y526-I530 HydrophobicContact CG-CD1 3.37Å; Y526-I530 HydrophobicContact CG-CG1 4.08Å; H528-I530 PolarHBondContact O-N 3.11Å
531	A	91.9	Very high	80.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.2	-176.3	0	0	0	0	0	111.6	T333 L339 T351 I352 L354 F476 L477 P533	T333-A531 HydrophobicContact CG2-CB 3.59Å; L339-A531 HydrophobicContact CD1-CB 4.1Å; T351-A531 HydrophobicContact CG2-CB 3.64Å; I352-A531 PolarHBondContact O-N 2.97Å; L354-A531 WeakPolarHBondContact CB-O 3.09Å; L354-A531 PolarHBondContact N-O 3.26Å; F476-A531 CarbonylContact O-C 3.29Å; F476-A531 WeakPolarHBondContact O-CA 3.41Å; L477-A531 HydrophobicContact CD2-CB 3.95Å; A531-P533 VanDerWaalsContact O-CD 3.23Å; A531-P533 WeakPolarHBondContact O-CD 3.28Å
532	L	92.7	Very high	78.3	Confident	18 Å²	18	68 Å²	68	9%	0.094	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-65.8	117.7	166.4	178.6	66.8	0	0	0	108.7	T333 L354 K425 I472 F476	T333-L532 PolarHBondContact OG1-O 3.36Å; L354-L532 HydrophobicContact CD1-CB 4.48Å; L354-L532 HydrophobicContact CD2-CD1 4Å; K425-L532 HydrophobicContact CB-CD2 3.69Å; K425-L532 HydrophobicContact CG-CD2 4.12Å; I472-L532 HydrophobicContact CD1-CB 4.29Å; I472-L532 HydrophobicContact CD1-CD2 3.98Å; I472-L532 HydrophobicContact CG2-CB 4.38Å; F476-L532 HydrophobicContact CB-CB 4.21Å; F476-L532 HydrophobicContact CD1-CB 4.47Å; F476-L532 HydrophobicContact CD1-CD2 4.13Å; F476-L532 PolarHBondContact O-N 3.46Å
533	P	88.9	Confident	75.9	Confident	7 Å²	7	70.2 Å²	70.2	5%	0.045	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-71.7	147.5	-179.6	-17.2	31.9	0	0	0	112.1	G334 H336 L339 W355 A531	G334-P533 CarbonylContact O-C 3.58Å; G334-P533 WeakPolarHBondContact O-CA 3.38Å; H336-P533 HydrophobicContact CB-CB 3.92Å; H336-P533 HydrophobicContact CB-CG 4.1Å; L339-P533 HydrophobicContact CD1-CB 4.48Å; W355-P533 HydrophobicContact CD2-CG 3.97Å; W355-P533 HydrophobicContact CE3-CB 4.29Å; W355-P533 HydrophobicContact CE3-CG 4.06Å; W355-P533 HydrophobicContact CG-CG 4.28Å; W355-P533 HydrophobicContact CH2-CB 4.36Å; W355-P533 HydrophobicContact CZ3-CB 4.2Å; W355-P533 HydrophobicContact CZ3-CG 4.47Å; A531-P533 VanDerWaalsContact O-CD 3.23Å; A531-P533 WeakPolarHBondContact O-CD 3.28Å
534	K	81.8	Confident	73.6	Confident	77 Å²	77	73.1 Å²	73.1	34%	0.335	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-62.2	140	162.7	-78.3	-166.7	162.8	178.9	0	109.7	V332 G334 Y335	V332-K534 HydrophobicContact CG1-CD 3.62Å; V332-K534 HydrophobicContact CG1-CG 4.31Å; G334-K534 PolarHBondContact O-N 3.38Å; Y335-K534 HydrophobicContact CD1-CB 3.78Å; Y335-K534 WeakPolarHBondContact CD1-O 2.83Å; Y335-K534 HydrophobicContact CE1-CB 3.89Å
535	H	73.3	Confident	71.6	Confident	51 Å²	51	82.2 Å²	82.2	24%	0.236	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-80.1	127.2	175.5	-160.5	54.4	0	0	0	110.4	W355 A608 Y611	W355-H535 HydrophobicContact CH2-CB 4.47Å; W355-H535 AromaticContact CH2-ND1 3.55Å; H535-A608 WeakPolarHBondContact CE1-CB 3.32Å; H535-A608 PolarHBondContact NE2-O 3.42Å; H535-Y611 HydrophobicContact CB-CD2 4.14Å
536	R	68.1	Low	69.8	Low	107 Å²	107	80.1 Å²	80.1	40%	0.404	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-83.7	126.4	163	-86.8	177.8	-177.9	-177.8	-0.6	108.2	Y335 E337 T538	Y335-R536 HydrophobicContact CD1-CB 4.41Å; Y335-R536 HydrophobicContact CD1-CG 3.4Å; Y335-R536 HydrophobicContact CE1-CB 4.49Å; Y335-R536 HydrophobicContact CE1-CG 3.44Å; Y335-R536 VanDerWaalsContact CE1-CG 3.44Å; Y335-R536 HydrophobicContact CG-CG 3.96Å; E337-R536 IonicContact OE2-CZ 3.99Å; E337-R536 IonicContact OE2-NE 2.99Å; E337-R536 IonicContact OE2-NH1 3.68Å; R536-T538 VanDerWaalsContact C-N 3.3Å; R536-T538 HydrophobicContact CB-CG2 4.49Å; R536-T538 PolarHBondContact O-N 2.89Å
537	I	64.6	Low	68.3	Low	121 Å²	121	83.5 Å²	83.5	62%	0.621	45%	0.45	S	S	*	.			trans	-70.7	95.4	167.9	-57.3	163.5	0	0	0	106.3	A615	I537-A615 HydrophobicContact CD1-CB 3.75Å; I537-A615 HydrophobicContact CG1-CB 4.24Å; I537-A615 HydrophobicContact CG2-CB 4.05Å
538	T	58.8	Low	66.8	Low	67 Å²	67	81.2 Å²	81.2	41%	0.411	44%	0.44	S	S	.	.			trans	-80.4	138.7	170.7	49.8	0	0	0	0	108.8	R536 D540	R536-T538 VanDerWaalsContact C-N 3.3Å; R536-T538 HydrophobicContact CB-CG2 4.49Å; R536-T538 PolarHBondContact O-N 2.89Å; T538-D540 PolarHBondContact O-N 3.39Å
539	S	53.8	Low	66.1	Low	109 Å²	109	86.8 Å²	86.8	76%	0.762	47%	0.466	S	S	*	.			trans	-63.2	125.4	164.9	52.8	0	0	0	0	107.8	P541	S539-P541 WeakPolarHBondContact O-CD 3.27Å
540	D	52	Low	65.7	Low	64 Å²	64	84.2 Å²	84.2	34%	0.342	45%	0.449	S	S	.	.			trans	-47	106.3	-175.8	-155.9	1.1	0	0	0	110.8	T538 Q542	T538-D540 PolarHBondContact O-N 3.39Å; D540-Q542 PolarHBondContact O-N 3.36Å
541	P	45.3	Very low	65.6	Low	118 Å²	118	87.4 Å²	87.4	77%	0.766	47%	0.47	S	S	*	.	S	Bend	trans	-69.6	-18.1	-171.7	-18	30.5	0	0	0	112.8	S539	S539-P541 WeakPolarHBondContact O-CD 3.27Å
542	Q	46.7	Very low	65.4	Low	159 Å²	159	93.4 Å²	93.4	74%	0.743	50%	0.502	S	S	*	.	S	Bend	trans	-117.4	126.3	167.2	-70.5	176.5	-2.5	0	0	105	D540 D544	D540-Q542 PolarHBondContact O-N 3.36Å; Q542-D544 PolarHBondContact O-N 3.02Å
543	G	47.6	Very low	65.3	Low	72 Å²	72	99.4 Å²	99.4	74%	0.742	53%	0.529	S	S	*	.			trans	-60.6	89.1	165.9	0	0	0	0	0	108.4	R545	G543-R545 PolarHBondContact O-N 3.06Å
544	D	50.9	Low	65.4	Low	62 Å²	62	101.6 Å²	101.6	33%	0.332	54%	0.541	S	S	.	.			trans	-61	99.4	166.1	-166.6	17.3	0	0	0	103.4	Q542 T546 R582	Q542-D544 PolarHBondContact O-N 3.02Å; D544-T546 PolarHBondContact O-N 2.9Å; D544-R582 IonicContact OD2-CZ 3.93Å; D544-R582 IonicContact OD2-NH2 3.33Å; D544-R582 PolarHBondContact OD2-NH2 2.88Å
545	R	54.3	Low	65.8	Low	203 Å²	203	102.7 Å²	102.7	77%	0.766	54%	0.543	S	S	*	.			trans	-39.1	129.8	-162.6	-69.8	174.4	174.6	177.1	-3	108.7	G543 R547	G543-R545 PolarHBondContact O-N 3.06Å; R545-R547 HydrophobicContact CB-CG 4.02Å; R545-R547 PolarHBondContact O-N 2.9Å
546	T	53.6	Low	66.7	Low	124 Å²	124	106.8 Å²	106.8	76%	0.761	56%	0.56	S	S	*	*			trans	-50	89.6	145.4	10.9	0	0	0	0	105.6	D544 A548	D544-T546 PolarHBondContact O-N 2.9Å; T546-A548 PolarHBondContact O-N 2.78Å
547	R	57.5	Low	67.9	Low	140 Å²	140	105.4 Å²	105.4	53%	0.528	56%	0.558	S	S	.	*			trans	-73.7	77.6	175.7	-70.3	-176	-173.4	-166.8	-1.8	104.8	R545 E549 H580	R545-R547 HydrophobicContact CB-CG 4.02Å; R545-R547 PolarHBondContact O-N 2.9Å; R547-E549 PolarHBondContact O-N 3.31Å; R547-H580 PolarHBondContact NH1-CE1 2.92Å; R547-H580 PolarHBondContact NH1-NE2 2.97Å; R547-H580 VanDerWaalsContact NH1-NE2 3.18Å
548	A	53.4	Low	69.2	Low	76 Å²	76	99.8 Å²	99.8	63%	0.628	53%	0.529	S	S	*	.			trans	-73.8	-5.8	-162.2	0	0	0	0	0	113.9	T546	T546-A548 PolarHBondContact O-N 2.78Å
549	E	70	Confident	70.8	Confident	181 Å²	181	101.2 Å²	101.2	85%	0.846	53%	0.531	S	S	*	.			trans	-118.2	96	173.1	-88	-176.7	152.3	0	0	111.1	R547	R547-E549 PolarHBondContact O-N 3.31Å
550	M	82.1	Confident	72.7	Confident	8 Å²	8	101.9 Å²	101.9	4%	0.039	52%	0.522	C	S	.	.			trans	-78.7	122.4	157.8	-178.4	-172.6	-76	0	0	108.1	L554 R555 L558 F581 E584	M550-L554 HydrophobicContact CG-CB 4.01Å; M550-R555 HydrophobicContact CG-CB 4.16Å; M550-R555 WeakPolarHBondContact SD-CA 3.45Å; M550-R555 HydrophobicContact SD-CB 3.58Å; M550-R555 VanDerWaalsContact SD-CB 3.58Å; M550-R555 HydrophobicContact SD-CG 4.05Å; M550-L558 HydrophobicContact CE-CD2 3.47Å; M550-L558 VanDerWaalsContact CE-CD2 3.47Å; M550-L558 HydrophobicContact SD-CD2 4.11Å; M550-F581 HydrophobicContact CB-CD1 4.29Å; M550-F581 HydrophobicContact CB-CE1 3.96Å; M550-F581 HydrophobicContact CB-CZ 4.46Å; M550-F581 HydrophobicContact CE-CB 3.31Å; M550-F581 HydrophobicContact CE-CD1 3.39Å; M550-F581 HydrophobicContact CE-CD2 3.77Å; M550-F581 HydrophobicContact CE-CE1 4.06Å; M550-F581 HydrophobicContact CE-CE2 4.39Å; M550-F581 HydrophobicContact CE-CG 3.21Å; M550-F581 HydrophobicContact CG-CD1 4.3Å; M550-F581 HydrophobicContact CG-CE1 4.01Å; M550-F581 HydrophobicContact CG-CE2 4.47Å; M550-F581 HydrophobicContact CG-CZ 4.11Å; M550-E584 HydrophobicContact CE-CB 3.79Å; M550-E584 HydrophobicContact CE-CG 3.89Å
551	P	89.4	Confident	74.7	Confident	72 Å²	72	99.6 Å²	99.6	47%	0.468	51%	0.51	S	S	.	.			trans	-51.7	140.4	172.7	-26.4	33.4	0	0	0	111.7	Q553 L554 R555	P551-Q553 PolarHBondContact O-N 3.29Å; P551-Q553 VanDerWaalsContact O-N 3.09Å; P551-L554 HydrophobicContact CB-CG 4.37Å; P551-L554 HydrophobicContact CG-CD1 4.12Å; P551-L554 HydrophobicContact CG-CG 4.47Å; P551-L554 PolarHBondContact O-N 3.36Å; P551-R555 PolarHBondContact O-N 2.9Å
552	N	88.1	Confident	77	Confident	126 Å²	126	95 Å²	95	67%	0.674	48%	0.479	S	S	*	.	H	α-helix	trans	-54.8	-34.1	-176.8	-74.9	-21.1	0	0	0	113.5	R555 K556	N552-R555 PolarHBondContact O-N 2.5Å; N552-K556 PolarHBondContact O-N 3.31Å
553	Q	91.4	Very high	79	Confident	143 Å²	143	91.5 Å²	91.5	67%	0.668	48%	0.476	S	S	*	.	H	α-helix	trans	-65.6	-45.8	175.9	-175.6	176.2	-3.3	0	0	111.9	P551 R555 K556 Q557	P551-Q553 PolarHBondContact O-N 3.29Å; P551-Q553 VanDerWaalsContact O-N 3.09Å; Q553-R555 VanDerWaalsContact C-N 3.29Å; Q553-R555 PolarHBondContact O-N 3.27Å; Q553-K556 PolarHBondContact O-N 3.25Å; Q553-Q557 WeakPolarHBondContact O-CG 3.38Å; Q553-Q557 PolarHBondContact O-N 2.85Å
554	L	90.9	Very high	81.1	Confident	54 Å²	54	90 Å²	90	28%	0.283	45%	0.453	S	S	.	.	H	α-helix	trans	-67.8	-31.3	177	-64.9	-174.6	0	0	0	111.7	M550 P551 Q557 L558 L577 F581	M550-L554 HydrophobicContact CG-CB 4.01Å; P551-L554 HydrophobicContact CB-CG 4.37Å; P551-L554 HydrophobicContact CG-CD1 4.12Å; P551-L554 HydrophobicContact CG-CG 4.47Å; P551-L554 PolarHBondContact O-N 3.36Å; L554-Q557 VanDerWaalsContact CD2-OE1 3.28Å; L554-Q557 PolarHBondContact O-N 3.48Å; L554-L558 WeakPolarHBondContact O-CB 3.49Å; L554-L558 PolarHBondContact O-N 3.09Å; L554-L577 HydrophobicContact CB-CD1 4.5Å; L554-L577 HydrophobicContact CD1-CD1 4.44Å; L554-L577 HydrophobicContact CD2-CD1 4.23Å; L554-F581 HydrophobicContact CD1-CE2 4.05Å; L554-F581 HydrophobicContact CD1-CZ 4.17Å
555	R	90.6	Very high	82.8	Confident	100 Å²	100	87.9 Å²	87.9	38%	0.377	44%	0.442	S	S	.	.	H	α-helix	trans	-63.8	-48.7	172.8	-173.8	178.3	-64.6	172.3	1.3	112	M550 P551 N552 Q553 Q557 L558 E559	M550-R555 HydrophobicContact CG-CB 4.16Å; M550-R555 WeakPolarHBondContact SD-CA 3.45Å; M550-R555 HydrophobicContact SD-CB 3.58Å; M550-R555 VanDerWaalsContact SD-CB 3.58Å; M550-R555 HydrophobicContact SD-CG 4.05Å; P551-R555 PolarHBondContact O-N 2.9Å; N552-R555 PolarHBondContact O-N 2.5Å; Q553-R555 VanDerWaalsContact C-N 3.29Å; Q553-R555 PolarHBondContact O-N 3.27Å; R555-Q557 VanDerWaalsContact C-N 3.31Å; R555-Q557 PolarHBondContact O-N 3.08Å; R555-L558 PolarHBondContact O-N 3.09Å; R555-E559 WeakPolarHBondContact CG-OE1 3.31Å; R555-E559 WeakPolarHBondContact O-CG 3.48Å; R555-E559 PolarHBondContact O-N 3.12Å
556	K	91.4	Very high	84.3	Confident	137 Å²	137	80.1 Å²	80.1	60%	0.596	42%	0.418	S	S	*	.	H	α-helix	trans	-57.9	-45.2	174.3	-88.3	-172.8	169.6	-173.3	0	111.9	N552 Q553 L558 E559 E560	N552-K556 PolarHBondContact O-N 3.31Å; Q553-K556 PolarHBondContact O-N 3.25Å; K556-L558 VanDerWaalsContact C-N 3.35Å; K556-L558 PolarHBondContact O-N 3.36Å; K556-E559 PolarHBondContact O-N 3.44Å; K556-E560 WeakPolarHBondContact O-CB 3.28Å; K556-E560 VanDerWaalsContact O-CG 3.28Å; K556-E560 WeakPolarHBondContact O-CG 3.46Å; K556-E560 PolarHBondContact O-N 3.02Å
557	Q	93.2	Very high	85.7	Confident	77 Å²	77	75.2 Å²	75.2	36%	0.36	39%	0.387	S	S	.	.	H	α-helix	trans	-61.1	-42.7	176.9	-73.5	177.7	-21.4	0	0	112.2	Q553 L554 R555 E560 I561 L577	Q553-Q557 WeakPolarHBondContact O-CG 3.38Å; Q553-Q557 PolarHBondContact O-N 2.85Å; L554-Q557 VanDerWaalsContact CD2-OE1 3.28Å; L554-Q557 PolarHBondContact O-N 3.48Å; R555-Q557 VanDerWaalsContact C-N 3.31Å; R555-Q557 PolarHBondContact O-N 3.08Å; Q557-E560 PolarHBondContact O-N 3.24Å; Q557-I561 WeakPolarHBondContact O-CD1 3.42Å; Q557-I561 VanDerWaalsContact O-CG1 3.24Å; Q557-I561 WeakPolarHBondContact O-CG1 3.41Å; Q557-I561 PolarHBondContact O-N 2.88Å; Q557-L577 HydrophobicContact CB-CD2 4.33Å
558	L	92.9	Very high	87.1	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-44.9	175.6	-179.2	65.9	0	0	0	111.7	M550 L554 R555 K556 I561 I562 L578	M550-L558 HydrophobicContact CE-CD2 3.47Å; M550-L558 VanDerWaalsContact CE-CD2 3.47Å; M550-L558 HydrophobicContact SD-CD2 4.11Å; L554-L558 WeakPolarHBondContact O-CB 3.49Å; L554-L558 PolarHBondContact O-N 3.09Å; R555-L558 PolarHBondContact O-N 3.09Å; K556-L558 VanDerWaalsContact C-N 3.35Å; K556-L558 PolarHBondContact O-N 3.36Å; L558-I561 PolarHBondContact O-N 2.91Å; L558-I562 HydrophobicContact CD1-CD1 4.12Å; L558-I562 HydrophobicContact CD1-CG1 4.47Å; L558-I562 HydrophobicContact CD2-CD1 4.48Å; L558-I562 HydrophobicContact CG-CD1 3.83Å; L558-I562 WeakPolarHBondContact O-CD1 3.33Å; L558-I562 WeakPolarHBondContact O-CG1 3.46Å; L558-I562 PolarHBondContact O-N 3.45Å; L558-L578 HydrophobicContact CD1-CD2 3.58Å; L558-L578 HydrophobicContact CD1-CG 4.16Å
559	E	92.9	Very high	88.7	Confident	96 Å²	96	72.1 Å²	72.1	45%	0.449	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-41.6	176.9	-72.5	169.5	-176.1	0	0	111.8	R555 K556 I562 A563	R555-E559 WeakPolarHBondContact CG-OE1 3.31Å; R555-E559 WeakPolarHBondContact O-CG 3.48Å; R555-E559 PolarHBondContact O-N 3.12Å; K556-E559 PolarHBondContact O-N 3.44Å; E559-I562 PolarHBondContact O-N 3.2Å; E559-A563 WeakPolarHBondContact O-CB 3.46Å; E559-A563 PolarHBondContact O-N 3.47Å
560	E	92.9	Very high	89.7	Confident	123 Å²	123	64.8 Å²	64.8	58%	0.575	34%	0.342	S	S	*	.	H	α-helix	trans	-61.3	-46	174.6	-74.9	167.5	-168.8	0	0	111.3	K556 Q557 I562 A563 T564	K556-E560 WeakPolarHBondContact O-CB 3.28Å; K556-E560 VanDerWaalsContact O-CG 3.28Å; K556-E560 WeakPolarHBondContact O-CG 3.46Å; K556-E560 PolarHBondContact O-N 3.02Å; Q557-E560 PolarHBondContact O-N 3.24Å; E560-I562 PolarHBondContact O-N 3.5Å; E560-A563 PolarHBondContact O-N 2.95Å; E560-T564 WeakPolarHBondContact O-CG2 3.47Å; E560-T564 PolarHBondContact O-N 3.31Å
561	I	94	Very high	90.3	Very high	17 Å²	17	66.5 Å²	66.5	9%	0.087	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-46.5	176	-68.2	158.8	0	0	0	110.6	Q557 L558 A563 T564 L570 D574 L577 L578 K594	Q557-I561 WeakPolarHBondContact O-CD1 3.42Å; Q557-I561 VanDerWaalsContact O-CG1 3.24Å; Q557-I561 WeakPolarHBondContact O-CG1 3.41Å; Q557-I561 PolarHBondContact O-N 2.88Å; L558-I561 PolarHBondContact O-N 2.91Å; I561-A563 VanDerWaalsContact C-N 3.28Å; I561-A563 PolarHBondContact O-N 3.26Å; I561-T564 PolarHBondContact O-N 3.12Å; I561-T564 PolarHBondContact O-OG1 2.93Å; I561-L570 HydrophobicContact CG2-CD2 3.74Å; I561-D574 HydrophobicContact CD1-CB 3.98Å; I561-D574 VanDerWaalsContact CD1-OD1 3.31Å; I561-D574 WeakPolarHBondContact CD1-OD1 3.46Å; I561-D574 HydrophobicContact CG1-CB 4.46Å; I561-L577 HydrophobicContact CD1-CD2 3.94Å; I561-L578 HydrophobicContact CG2-CD1 4.02Å; I561-K594 HydrophobicContact CG2-CD 4.26Å; I561-K594 VanDerWaalsContact O-CD 3.23Å; I561-K594 WeakPolarHBondContact O-CD 3.18Å; I561-K594 WeakPolarHBondContact O-CE 3.27Å
562	I	92.6	Very high	90.6	Very high	22 Å²	22	67.9 Å²	67.9	11%	0.113	36%	0.363	C	S	.	.	H	α-helix	trans	-62.5	-36.6	179.8	-68	164.2	0	0	0	111.2	L558 E559 E560 T564 H588 K590 A591	L558-I562 HydrophobicContact CD1-CD1 4.12Å; L558-I562 HydrophobicContact CD1-CG1 4.47Å; L558-I562 HydrophobicContact CD2-CD1 4.48Å; L558-I562 HydrophobicContact CG-CD1 3.83Å; L558-I562 WeakPolarHBondContact O-CD1 3.33Å; L558-I562 WeakPolarHBondContact O-CG1 3.46Å; L558-I562 PolarHBondContact O-N 3.45Å; E559-I562 PolarHBondContact O-N 3.2Å; E560-I562 PolarHBondContact O-N 3.5Å; I562-T564 VanDerWaalsContact C-N 3.28Å; I562-T564 PolarHBondContact O-N 2.89Å; I562-H588 HydrophobicContact CD1-CB 4.44Å; I562-K590 HydrophobicContact CG2-CB 4.08Å; I562-A591 HydrophobicContact CD1-CB 3.66Å; I562-A591 HydrophobicContact CG1-CB 3.69Å; I562-A591 HydrophobicContact CG2-CB 4.19Å
563	A	90.1	Very high	90.9	Very high	84 Å²	84	69.2 Å²	69.2	69%	0.694	37%	0.365	S	S	*	.	H	α-helix	trans	-72.2	-16.5	-179.8	0	0	0	0	0	114.1	E559 E560 I561	E559-A563 WeakPolarHBondContact O-CB 3.46Å; E559-A563 PolarHBondContact O-N 3.47Å; E560-A563 PolarHBondContact O-N 2.95Å; I561-A563 VanDerWaalsContact C-N 3.28Å; I561-A563 PolarHBondContact O-N 3.26Å
564	T	90.6	Very high	91.1	Very high	41 Å²	41	64.3 Å²	64.3	25%	0.252	34%	0.344	S	S	.	.	S	Bend	trans	-65.5	149.2	177.6	62.1	0	0	0	0	112.5	E560 I561 I562 N568 K594	E560-T564 WeakPolarHBondContact O-CG2 3.47Å; E560-T564 PolarHBondContact O-N 3.31Å; I561-T564 PolarHBondContact O-N 3.12Å; I561-T564 PolarHBondContact O-OG1 2.93Å; I562-T564 VanDerWaalsContact C-N 3.28Å; I562-T564 PolarHBondContact O-N 2.89Å; T564-N568 PolarHBondContact OG1-ND2 2.61Å; T564-K594 WeakPolarHBondContact O-CE 3.43Å; T564-K594 PolarHBondContact O-NZ 3.2Å; T564-K594 VanDerWaalsContact OG1-CE 3.31Å; T564-K594 WeakPolarHBondContact OG1-CE 3.48Å; T564-K594 PolarHBondContact OG1-NZ 2.96Å
565	D	87.1	Confident	91.3	Very high	17 Å²	17	65.5 Å²	65.5	9%	0.091	35%	0.347	C	S	.	.			trans	-65.2	166.4	-179.5	75	-87.6	0	0	0	112.5	L567 N568 K594 I1031 V1060	D565-L567 VanDerWaalsContact C-N 3.27Å; D565-L567 PolarHBondContact O-N 2.67Å; D565-L567 WeakPolarHBondContact OD2-CA 3.3Å; D565-L567 VanDerWaalsContact OD2-CB 3.28Å; D565-L567 WeakPolarHBondContact OD2-CB 3.48Å; D565-L567 PolarHBondContact OD2-N 2.98Å; D565-N568 WeakPolarHBondContact O-CB 3.4Å; D565-N568 PolarHBondContact O-N 3.12Å; D565-N568 PolarHBondContact OD2-N 3.33Å; D565-K594 PolarHBondContact O-NZ 3.44Å; D565-I1031 HydrophobicContact CB-CD1 4.26Å; D565-V1060 HydrophobicContact CB-CG1 4.31Å
566	P	85.6	Confident	91.5	Very high	40 Å²	40	66.6 Å²	66.6	26%	0.26	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.7	-177.3	-25.4	36.4	0	0	0	115.1	Q632 N1028 I1031	P566-Q632 HydrophobicContact CB-CG 4.44Å; P566-Q632 HydrophobicContact CG-CG 4.42Å; P566-N1028 HydrophobicContact CG-CB 4.41Å; P566-I1031 HydrophobicContact CB-CG2 4.26Å; P566-I1031 HydrophobicContact CG-CG2 4.29Å
567	L	82.8	Confident	91.6	Very high	22 Å²	22	61.4 Å²	61.4	12%	0.115	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-15.2	-178.1	-54	170.7	0	0	0	112.7	D565 P569 I1031 I1051	D565-L567 VanDerWaalsContact C-N 3.27Å; D565-L567 PolarHBondContact O-N 2.67Å; D565-L567 WeakPolarHBondContact OD2-CA 3.3Å; D565-L567 VanDerWaalsContact OD2-CB 3.28Å; D565-L567 WeakPolarHBondContact OD2-CB 3.48Å; D565-L567 PolarHBondContact OD2-N 2.98Å; L567-P569 VanDerWaalsContact O-CD 3.31Å; L567-P569 WeakPolarHBondContact O-CD 3.37Å; L567-I1031 HydrophobicContact CD1-CD1 4.34Å; L567-I1031 HydrophobicContact CD1-CG2 3.87Å; L567-I1031 HydrophobicContact CD2-CG2 3.98Å; L567-I1031 HydrophobicContact CG-CG2 3.64Å; L567-I1051 HydrophobicContact CD1-CB 3.87Å; L567-I1051 HydrophobicContact CD1-CG2 3.34Å; L567-I1051 HydrophobicContact CD2-CB 4.33Å; L567-I1051 HydrophobicContact CD2-CD1 3.92Å; L567-I1051 HydrophobicContact CD2-CG2 3.89Å; L567-I1051 HydrophobicContact CG-CG2 4.18Å
568	N	87.3	Confident	91.7	Very high	57 Å²	57	57.7 Å²	57.7	31%	0.305	32%	0.317	S	S	.	.	S	Bend	trans	-63.1	114.5	178.7	-174.7	65.4	0	0	0	110.2	T564 D565	T564-N568 PolarHBondContact OG1-ND2 2.61Å; D565-N568 WeakPolarHBondContact O-CB 3.4Å; D565-N568 PolarHBondContact O-N 3.12Å; D565-N568 PolarHBondContact OD2-N 3.33Å
569	P	87.1	Confident	91.7	Very high	93 Å²	93	59.7 Å²	59.7	60%	0.604	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-69.4	137.7	-179.4	29.6	-33.5	0	0	0	110.4	L567	L567-P569 VanDerWaalsContact O-CD 3.31Å; L567-P569 WeakPolarHBondContact O-CD 3.37Å
570	L	91.8	Very high	91.6	Very high	28 Å²	28	59.6 Å²	59.6	15%	0.147	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-83.3	129.2	174.1	-60.8	176.2	0	0	0	110.5	I561 D574 K575 L578 K594	I561-L570 HydrophobicContact CG2-CD2 3.74Å; L570-D574 HydrophobicContact CB-CB 4.24Å; L570-D574 HydrophobicContact CD2-CB 4.22Å; L570-K575 HydrophobicContact CB-CG 3.88Å; L570-K575 HydrophobicContact CD1-CG 4.32Å; L570-L578 HydrophobicContact CD1-CD1 3.88Å; L570-L578 HydrophobicContact CD2-CD1 4.37Å; L570-K594 HydrophobicContact CD1-CB 3.94Å; L570-K594 HydrophobicContact CD1-CG 4.34Å; L570-K594 HydrophobicContact CD2-CD 4.28Å; L570-K594 HydrophobicContact CD2-CG 4.41Å
571	S	94.7	Very high	91.6	Very high	43 Å²	43	54.7 Å²	54.7	30%	0.301	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-68.2	161.7	170.4	73.8	0	0	0	0	111.1	E573 D574 K575	S571-E573 PolarHBondContact O-N 3.21Å; S571-D574 WeakPolarHBondContact CB-OD2 3.42Å; S571-D574 PolarHBondContact N-OD2 3.41Å; S571-D574 PolarHBondContact O-N 3.16Å; S571-D574 PolarHBondContact OG-N 3.02Å; S571-D574 VanDerWaalsContact OG-N 3.13Å; S571-D574 PolarHBondContact OG-OD1 3.22Å; S571-D574 PolarHBondContact OG-OD2 3.16Å; S571-K575 WeakPolarHBondContact O-CG 3.35Å; S571-K575 PolarHBondContact O-N 3.07Å; S571-K575 VanDerWaalsContact O-N 3.11Å
572	P	94.3	Very high	91.5	Very high	101 Å²	101	55.1 Å²	55.1	66%	0.656	30%	0.301	S	S	*	.	H	α-helix	trans	-55.4	-37	173.5	-25.9	35.6	0	0	0	113.1	K575 E576	P572-K575 PolarHBondContact O-N 2.91Å; P572-E576 WeakPolarHBondContact O-CG 3.49Å; P572-E576 PolarHBondContact O-N 3.25Å
573	E	94.6	Very high	91.2	Very high	154 Å²	154	56.8 Å²	56.8	72%	0.72	31%	0.307	S	S	*	.	H	α-helix	trans	-67.4	-42.4	178.3	-65.8	171.9	-169.1	0	0	111.6	S571 K575 E576 L577	S571-E573 PolarHBondContact O-N 3.21Å; E573-K575 VanDerWaalsContact C-N 3.31Å; E573-K575 PolarHBondContact O-N 3.28Å; E573-E576 PolarHBondContact O-N 3.25Å; E573-L577 WeakPolarHBondContact O-CB 3.27Å; E573-L577 PolarHBondContact O-N 3Å
574	D	95.6	Very high	91.1	Very high	41 Å²	41	54.7 Å²	54.7	22%	0.219	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-43.8	175.4	-58.6	-35.5	0	0	0	111.1	I561 L570 S571 L577 L578	I561-D574 HydrophobicContact CD1-CB 3.98Å; I561-D574 VanDerWaalsContact CD1-OD1 3.31Å; I561-D574 WeakPolarHBondContact CD1-OD1 3.46Å; I561-D574 HydrophobicContact CG1-CB 4.46Å; L570-D574 HydrophobicContact CB-CB 4.24Å; L570-D574 HydrophobicContact CD2-CB 4.22Å; S571-D574 WeakPolarHBondContact CB-OD2 3.42Å; S571-D574 PolarHBondContact N-OD2 3.41Å; S571-D574 PolarHBondContact O-N 3.16Å; S571-D574 PolarHBondContact OG-N 3.02Å; S571-D574 VanDerWaalsContact OG-N 3.13Å; S571-D574 PolarHBondContact OG-OD1 3.22Å; S571-D574 PolarHBondContact OG-OD2 3.16Å; D574-L577 PolarHBondContact O-N 3.04Å; D574-L578 WeakPolarHBondContact O-CB 3.44Å; D574-L578 WeakPolarHBondContact O-CG 3.15Å; D574-L578 PolarHBondContact O-N 3.46Å
575	K	95.2	Very high	91.1	Very high	79 Å²	79	52.7 Å²	52.7	34%	0.343	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-41.7	179.1	-67.3	-174.2	179.9	-162.1	0	111.7	L570 S571 P572 E573 W579 S598	L570-K575 HydrophobicContact CB-CG 3.88Å; L570-K575 HydrophobicContact CD1-CG 4.32Å; S571-K575 WeakPolarHBondContact O-CG 3.35Å; S571-K575 PolarHBondContact O-N 3.07Å; S571-K575 VanDerWaalsContact O-N 3.11Å; P572-K575 PolarHBondContact O-N 2.91Å; E573-K575 VanDerWaalsContact C-N 3.31Å; E573-K575 PolarHBondContact O-N 3.28Å; K575-W579 WeakPolarHBondContact O-CB 3.33Å; K575-W579 PolarHBondContact O-N 3.26Å; K575-S598 WeakPolarHBondContact CA-OG 3.24Å
576	E	94.3	Very high	91.2	Very high	123 Å²	123	52.6 Å²	52.6	58%	0.575	27%	0.27	S	S	*	.	H	α-helix	trans	-64.8	-42	175.5	-74.7	-173.6	176.5	0	0	111.7	P572 E573 W579 H580	P572-E576 WeakPolarHBondContact O-CG 3.49Å; P572-E576 PolarHBondContact O-N 3.25Å; E573-E576 PolarHBondContact O-N 3.25Å; E576-W579 PolarHBondContact O-N 3.14Å; E576-H580 WeakPolarHBondContact O-CB 3.46Å; E576-H580 PolarHBondContact O-N 3.49Å
577	L	94.1	Very high	91.3	Very high	27 Å²	27	55.8 Å²	55.8	14%	0.141	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-49.5	177.1	-172.9	70.3	0	0	0	111.7	L554 Q557 I561 E573 D574 W579 H580 F581	L554-L577 HydrophobicContact CB-CD1 4.5Å; L554-L577 HydrophobicContact CD1-CD1 4.44Å; L554-L577 HydrophobicContact CD2-CD1 4.23Å; Q557-L577 HydrophobicContact CB-CD2 4.33Å; I561-L577 HydrophobicContact CD1-CD2 3.94Å; E573-L577 WeakPolarHBondContact O-CB 3.27Å; E573-L577 PolarHBondContact O-N 3Å; D574-L577 PolarHBondContact O-N 3.04Å; L577-W579 VanDerWaalsContact C-N 3.35Å; L577-W579 PolarHBondContact O-N 3.37Å; L577-H580 PolarHBondContact O-N 2.79Å; L577-F581 HydrophobicContact CD1-CD2 3.63Å; L577-F581 HydrophobicContact CD1-CE2 3.59Å; L577-F581 HydrophobicContact CG-CD2 4.26Å; L577-F581 WeakPolarHBondContact O-CD2 3.31Å; L577-F581 PolarHBondContact O-N 3.34Å
578	L	94.7	Very high	91.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-56.7	-47.3	176.9	-80.6	160.8	0	0	0	111.4	L558 I561 L570 D574 F581 R582 K594 L595 S598	L558-L578 HydrophobicContact CD1-CD2 3.58Å; L558-L578 HydrophobicContact CD1-CG 4.16Å; I561-L578 HydrophobicContact CG2-CD1 4.02Å; L570-L578 HydrophobicContact CD1-CD1 3.88Å; L570-L578 HydrophobicContact CD2-CD1 4.37Å; D574-L578 WeakPolarHBondContact O-CB 3.44Å; D574-L578 WeakPolarHBondContact O-CG 3.15Å; D574-L578 PolarHBondContact O-N 3.46Å; L578-F581 CarbonylContact O-C 3.33Å; L578-R582 WeakPolarHBondContact O-CA 3.49Å; L578-R582 PolarHBondContact O-N 3.47Å; L578-K594 HydrophobicContact CD1-CB 3.97Å; L578-L595 HydrophobicContact CB-CD1 4.36Å; L578-L595 WeakPolarHBondContact O-CD1 3.27Å; L578-S598 WeakPolarHBondContact CD1-OG 3.43Å
579	W	93.6	Very high	91.9	Very high	46 Å²	46	57.5 Å²	57.5	17%	0.174	29%	0.288	C	S	.	.	H	α-helix	trans	-70.3	-39	-179.9	-175.7	-110.1	0	0	0	112.8	K575 E576 L577 F581 R582 L595 V599 I606 K609 T610	K575-W579 WeakPolarHBondContact O-CB 3.33Å; K575-W579 PolarHBondContact O-N 3.26Å; E576-W579 PolarHBondContact O-N 3.14Å; L577-W579 VanDerWaalsContact C-N 3.35Å; L577-W579 PolarHBondContact O-N 3.37Å; W579-F581 VanDerWaalsContact C-N 3.31Å; W579-F581 PolarHBondContact O-N 2.65Å; W579-R582 WeakPolarHBondContact O-CB 3.45Å; W579-R582 PolarHBondContact O-N 2.84Å; W579-L595 HydrophobicContact CE3-CD1 4.47Å; W579-V599 HydrophobicContact CE3-CG2 4.12Å; W579-V599 HydrophobicContact CZ3-CG2 3.76Å; W579-I606 HydrophobicContact CH2-CG2 3.91Å; W579-I606 HydrophobicContact CZ2-CB 4.39Å; W579-I606 HydrophobicContact CZ2-CG2 3.62Å; W579-K609 HydrophobicContact CH2-CB 4.34Å; W579-K609 HydrophobicContact CZ2-CB 4.31Å; W579-T610 VanDerWaalsContact CH2-OG1 3.25Å; W579-T610 WeakPolarHBondContact CH2-OG1 2.83Å; W579-T610 WeakPolarHBondContact CZ3-OG1 3.45Å
580	H	91.1	Very high	92.1	Very high	93 Å²	93	59.4 Å²	59.4	43%	0.431	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-44.1	176.3	-167.8	96.8	0	0	0	111.1	R547 E576 L577	R547-H580 PolarHBondContact NH1-CE1 2.92Å; R547-H580 PolarHBondContact NH1-NE2 2.97Å; R547-H580 VanDerWaalsContact NH1-NE2 3.18Å; E576-H580 WeakPolarHBondContact O-CB 3.46Å; E576-H580 PolarHBondContact O-N 3.49Å; L577-H580 PolarHBondContact O-N 2.79Å
581	F	92	Very high	92.2	Very high	21 Å²	21	58.1 Å²	58.1	9%	0.092	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	35.6	179.6	-63.9	-75.2	0	0	0	113.3	M550 L554 L577 L578 W579 Y583 E584 S585	M550-F581 HydrophobicContact CB-CD1 4.29Å; M550-F581 HydrophobicContact CB-CE1 3.96Å; M550-F581 HydrophobicContact CB-CZ 4.46Å; M550-F581 HydrophobicContact CE-CB 3.31Å; M550-F581 HydrophobicContact CE-CD1 3.39Å; M550-F581 HydrophobicContact CE-CD2 3.77Å; M550-F581 HydrophobicContact CE-CE1 4.06Å; M550-F581 HydrophobicContact CE-CE2 4.39Å; M550-F581 HydrophobicContact CE-CG 3.21Å; M550-F581 HydrophobicContact CG-CD1 4.3Å; M550-F581 HydrophobicContact CG-CE1 4.01Å; M550-F581 HydrophobicContact CG-CE2 4.47Å; M550-F581 HydrophobicContact CG-CZ 4.11Å; L554-F581 HydrophobicContact CD1-CE2 4.05Å; L554-F581 HydrophobicContact CD1-CZ 4.17Å; L577-F581 HydrophobicContact CD1-CD2 3.63Å; L577-F581 HydrophobicContact CD1-CE2 3.59Å; L577-F581 HydrophobicContact CG-CD2 4.26Å; L577-F581 WeakPolarHBondContact O-CD2 3.31Å; L577-F581 PolarHBondContact O-N 3.34Å; L578-F581 CarbonylContact O-C 3.33Å; W579-F581 VanDerWaalsContact C-N 3.31Å; W579-F581 PolarHBondContact O-N 2.65Å; F581-Y583 PolarHBondContact O-N 3.32Å; F581-Y583 VanDerWaalsContact O-N 3.16Å; F581-E584 HydrophobicContact CB-CB 4.41Å; F581-E584 PolarHBondContact O-N 3.34Å; F581-S585 PolarHBondContact O-N 2.72Å; F581-S585 PolarHBondContact O-OG 2.68Å; F581-S585 VanDerWaalsContact O-OG 3.07Å
582	R	91.4	Very high	92.2	Very high	25 Å²	25	56.1 Å²	56.1	9%	0.094	27%	0.266	C	S	.	.	H	α-helix	trans	-54	-35.3	-178.2	65.2	-166.4	-179.3	-79.8	-0.2	114.7	D544 L578 W579 S585 I586 L595 L613	D544-R582 IonicContact OD2-CZ 3.93Å; D544-R582 IonicContact OD2-NH2 3.33Å; D544-R582 PolarHBondContact OD2-NH2 2.88Å; L578-R582 WeakPolarHBondContact O-CA 3.49Å; L578-R582 PolarHBondContact O-N 3.47Å; W579-R582 WeakPolarHBondContact O-CB 3.45Å; W579-R582 PolarHBondContact O-N 2.84Å; R582-S585 PolarHBondContact O-N 2.99Å; R582-I586 WeakPolarHBondContact O-CB 3.44Å; R582-I586 PolarHBondContact O-N 3.3Å; R582-L595 HydrophobicContact CB-CD1 3.88Å; R582-L613 HydrophobicContact CB-CD2 3.84Å; R582-L613 HydrophobicContact CG-CD1 4.44Å; R582-L613 HydrophobicContact CG-CD2 4.13Å
583	Y	87.4	Confident	92.2	Very high	57 Å²	57	51.7 Å²	51.7	22%	0.224	24%	0.237	C	C	.	.	H	α-helix	trans	-75.1	-23.9	177.9	-68.3	-68.8	0	0	0	113.9	F581 I586 K587 L613	F581-Y583 PolarHBondContact O-N 3.32Å; F581-Y583 VanDerWaalsContact O-N 3.16Å; Y583-I586 WeakPolarHBondContact O-CG2 3.48Å; Y583-K587 WeakPolarHBondContact O-CE 3.4Å; Y583-L613 HydrophobicContact CD1-CD1 3.41Å; Y583-L613 VanDerWaalsContact CD1-CD1 3.41Å; Y583-L613 HydrophobicContact CE1-CD1 3.49Å; Y583-L613 VanDerWaalsContact CE1-CD1 3.49Å; Y583-L613 HydrophobicContact CG-CD1 4.23Å
584	E	88.6	Confident	92.3	Very high	40 Å²	40	45.2 Å²	45.2	19%	0.187	21%	0.207	C	C	.	.	H	α-helix	trans	-80.2	-42.8	169.1	-65.8	-56.6	133.1	0	0	109.7	M550 F581 I586 K587 H588	M550-E584 HydrophobicContact CE-CB 3.79Å; M550-E584 HydrophobicContact CE-CG 3.89Å; F581-E584 HydrophobicContact CB-CB 4.41Å; F581-E584 PolarHBondContact O-N 3.34Å; E584-I586 VanDerWaalsContact C-N 3.33Å; E584-I586 PolarHBondContact O-N 3.13Å; E584-K587 WeakPolarHBondContact O-CB 3.37Å; E584-K587 PolarHBondContact O-N 3.5Å; E584-K587 VanDerWaalsContact O-N 3.14Å; E584-K587 IonicContact OE1-NZ 2.79Å; E584-K587 PolarHBondContact OE1-NZ 3.13Å; E584-K587 IonicContact OE2-NZ 2.68Å; E584-K587 PolarHBondContact OE2-NZ 3.42Å; E584-H588 PolarHBondContact O-CD2 3.07Å
585	S	90.5	Very high	92.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57	-43.6	177.9	-56	0	0	0	0	112.4	F581 R582 K587 H588 A591	F581-S585 PolarHBondContact O-N 2.72Å; F581-S585 PolarHBondContact O-OG 2.68Å; F581-S585 VanDerWaalsContact O-OG 3.07Å; R582-S585 PolarHBondContact O-N 2.99Å; S585-K587 PolarHBondContact O-N 3.31Å; S585-K587 VanDerWaalsContact O-N 3.14Å; S585-H588 PolarHBondContact O-N 3.19Å; S585-A591 WeakPolarHBondContact O-CB 3.3Å
586	I	89	Confident	92.3	Very high	15 Å²	15	39.9 Å²	39.9	8%	0.077	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.8	-177.8	-159.3	162.1	0	0	0	114	R582 Y583 E584 H588 Y592 L613	R582-I586 WeakPolarHBondContact O-CB 3.44Å; R582-I586 PolarHBondContact O-N 3.3Å; Y583-I586 WeakPolarHBondContact O-CG2 3.48Å; E584-I586 VanDerWaalsContact C-N 3.33Å; E584-I586 PolarHBondContact O-N 3.13Å; I586-H588 PolarHBondContact O-N 3.11Å; I586-Y592 HydrophobicContact CD1-CE1 4.42Å; I586-Y592 HydrophobicContact CG1-CE1 4.18Å; I586-Y592 HydrophobicContact CG1-CE2 3.78Å; I586-Y592 VanDerWaalsContact CG1-CZ 3.42Å; I586-Y592 WeakPolarHBondContact CG1-OH 3.48Å; I586-Y592 WeakPolarHBondContact O-CE2 3.37Å; I586-Y592 PolarHBondContact O-OH 2.72Å; I586-L613 HydrophobicContact CB-CD1 4.38Å; I586-L613 HydrophobicContact CD1-CD1 3.88Å; I586-L613 HydrophobicContact CD1-CD2 4.24Å; I586-L613 HydrophobicContact CD1-CG 3.61Å; I586-L613 HydrophobicContact CG2-CD1 4.11Å
587	K	88.2	Confident	92.3	Very high	106 Å²	106	36.1 Å²	36.1	46%	0.461	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.7	172.1	-58.9	176.5	-171.5	168.4	0	112.3	Y583 E584 S585	Y583-K587 WeakPolarHBondContact O-CE 3.4Å; E584-K587 WeakPolarHBondContact O-CB 3.37Å; E584-K587 PolarHBondContact O-N 3.5Å; E584-K587 VanDerWaalsContact O-N 3.14Å; E584-K587 IonicContact OE1-NZ 2.79Å; E584-K587 PolarHBondContact OE1-NZ 3.13Å; E584-K587 IonicContact OE2-NZ 2.68Å; E584-K587 PolarHBondContact OE2-NZ 3.42Å; S585-K587 PolarHBondContact O-N 3.31Å; S585-K587 VanDerWaalsContact O-N 3.14Å
588	H	90.5	Very high	92.3	Very high	79 Å²	79	35.3 Å²	35.3	37%	0.366	17%	0.165	S	C	.	.	S	Bend	trans	-111.4	106.7	178.6	-57.9	-80.1	0	0	0	109.4	I562 E584 S585 I586 K590 A591	I562-H588 HydrophobicContact CD1-CB 4.44Å; E584-H588 PolarHBondContact O-CD2 3.07Å; S585-H588 PolarHBondContact O-N 3.19Å; I586-H588 PolarHBondContact O-N 3.11Å; H588-K590 PolarHBondContact O-N 3.25Å; H588-K590 VanDerWaalsContact O-N 3.13Å; H588-A591 HydrophobicContact CB-CB 4.17Å; H588-A591 VanDerWaalsContact O-CB 3.28Å; H588-A591 WeakPolarHBondContact O-CB 3.45Å; H588-A591 PolarHBondContact O-N 3.44Å
589	P	91.8	Very high	92.4	Very high	37 Å²	37	35.3 Å²	35.3	24%	0.24	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-51.9	-39.4	179.5	-30.1	36.1	0	0	0	113.5	A591 Y592 V619 L629	P589-A591 PolarHBondContact O-N 2.69Å; P589-A591 VanDerWaalsContact O-N 3.11Å; P589-Y592 WeakPolarHBondContact O-CB 3.45Å; P589-Y592 WeakPolarHBondContact O-CD2 3.36Å; P589-Y592 PolarHBondContact O-N 2.94Å; P589-Y592 VanDerWaalsContact O-N 3.14Å; P589-V619 HydrophobicContact CG-CG1 4.39Å; P589-L629 WeakPolarHBondContact O-CD1 3.26Å
590	K	91.8	Very high	92.5	Very high	133 Å²	133	38.1 Å²	38.1	58%	0.578	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-60.5	-18.9	176.9	-66.3	-173.7	178.1	-176	0	115.1	I562 H588 L629	I562-K590 HydrophobicContact CG2-CB 4.08Å; H588-K590 PolarHBondContact O-N 3.25Å; H588-K590 VanDerWaalsContact O-N 3.13Å; K590-L629 VanDerWaalsContact CA-CD1 3.44Å; K590-L629 HydrophobicContact CB-CD1 4.26Å; K590-L629 HydrophobicContact CG-CD1 3.98Å
591	A	93.3	Very high	92.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-80.4	-17	178.5	0	0	0	0	0	113.6	I562 S585 H588 P589 K594 L595	I562-A591 HydrophobicContact CD1-CB 3.66Å; I562-A591 HydrophobicContact CG1-CB 3.69Å; I562-A591 HydrophobicContact CG2-CB 4.19Å; S585-A591 WeakPolarHBondContact O-CB 3.3Å; H588-A591 HydrophobicContact CB-CB 4.17Å; H588-A591 VanDerWaalsContact O-CB 3.28Å; H588-A591 WeakPolarHBondContact O-CB 3.45Å; H588-A591 PolarHBondContact O-N 3.44Å; P589-A591 PolarHBondContact O-N 2.69Å; P589-A591 VanDerWaalsContact O-N 3.11Å; A591-K594 PolarHBondContact O-N 3.05Å; A591-K594 VanDerWaalsContact O-N 3.16Å; A591-L595 WeakPolarHBondContact O-CB 3.17Å; A591-L595 PolarHBondContact O-N 3.28Å
592	Y	94.9	Very high	92.9	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-56.3	-49.4	-169.4	-82.7	-125.6	0	0	0	113.1	I586 P589 K594 L595 L596 L614 W620 M646	I586-Y592 HydrophobicContact CD1-CE1 4.42Å; I586-Y592 HydrophobicContact CG1-CE1 4.18Å; I586-Y592 HydrophobicContact CG1-CE2 3.78Å; I586-Y592 VanDerWaalsContact CG1-CZ 3.42Å; I586-Y592 WeakPolarHBondContact CG1-OH 3.48Å; I586-Y592 WeakPolarHBondContact O-CE2 3.37Å; I586-Y592 PolarHBondContact O-OH 2.72Å; P589-Y592 WeakPolarHBondContact O-CB 3.45Å; P589-Y592 WeakPolarHBondContact O-CD2 3.36Å; P589-Y592 PolarHBondContact O-N 2.94Å; P589-Y592 VanDerWaalsContact O-N 3.14Å; Y592-K594 VanDerWaalsContact C-N 3.33Å; Y592-K594 PolarHBondContact O-N 3.29Å; Y592-L595 PolarHBondContact O-N 2.73Å; Y592-L596 VanDerWaalsContact O-CB 3.29Å; Y592-L596 WeakPolarHBondContact O-CB 3.29Å; Y592-L596 VanDerWaalsContact O-CG 3.22Å; Y592-L596 WeakPolarHBondContact O-CG 3.42Å; Y592-L596 PolarHBondContact O-N 3.38Å; Y592-L614 HydrophobicContact CE1-CD2 4.41Å; Y592-W620 HydrophobicContact CD1-CD2 4.3Å; Y592-W620 AromaticContact CD1-CE3 3.59Å; Y592-W620 HydrophobicContact CD1-CE3 3.59Å; Y592-W620 AromaticContact CD1-CZ3 3.8Å; Y592-W620 HydrophobicContact CD1-CZ3 3.8Å; Y592-W620 HydrophobicContact CD2-CE3 4.09Å; Y592-W620 HydrophobicContact CD2-CZ3 4.27Å; Y592-W620 HydrophobicContact CE1-CB 4.02Å; Y592-W620 HydrophobicContact CE1-CD2 4.01Å; Y592-W620 AromaticContact CE1-CE3 3.56Å; Y592-W620 HydrophobicContact CE1-CE3 3.56Å; Y592-W620 HydrophobicContact CE1-CG 4.23Å; Y592-W620 HydrophobicContact CE1-CZ3 4.25Å; Y592-W620 HydrophobicContact CE2-CE3 4.05Å; Y592-W620 AromaticContact CG-CE3 3.86Å; Y592-W620 HydrophobicContact CG-CE3 3.86Å; Y592-W620 AromaticContact CG-CZ3 3.8Å; Y592-W620 HydrophobicContact CG-CZ3 3.8Å; Y592-W620 AromaticContact CZ-CE3 3.79Å; Y592-W620 WeakPolarHBondContact OH-CB 3.36Å; Y592-M646 HydrophobicContact CD1-SD 4.15Å; Y592-M646 HydrophobicContact CE1-SD 3.88Å
593	P	94.7	Very high	93.1	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.052	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-42.3	178.3	-24.9	34.9	0	0	0	113.1	S597 Q632 L633 F638	P593-S597 WeakPolarHBondContact O-CB 3.23Å; P593-S597 PolarHBondContact O-N 2.93Å; P593-S597 PolarHBondContact O-OG 3.37Å; P593-Q632 HydrophobicContact CB-CB 4.44Å; P593-Q632 HydrophobicContact CG-CB 4.12Å; P593-L633 HydrophobicContact CB-CD2 4.21Å; P593-L633 HydrophobicContact CG-CD2 3.91Å; P593-L633 HydrophobicContact CG-CG 4.46Å; P593-F638 HydrophobicContact CB-CZ 4.11Å; P593-F638 WeakPolarHBondContact O-CZ 3.28Å
594	K	95.3	Very high	93.4	Very high	18 Å²	18	36.5 Å²	36.5	8%	0.078	18%	0.179	C	C	.	.	H	α-helix	trans	-71	-40.9	-179.9	-64.8	-178.5	-166	-74.6	0	111.8	I561 T564 D565 L570 L578 A591 Y592 S597 S598	I561-K594 HydrophobicContact CG2-CD 4.26Å; I561-K594 VanDerWaalsContact O-CD 3.23Å; I561-K594 WeakPolarHBondContact O-CD 3.18Å; I561-K594 WeakPolarHBondContact O-CE 3.27Å; T564-K594 WeakPolarHBondContact O-CE 3.43Å; T564-K594 PolarHBondContact O-NZ 3.2Å; T564-K594 VanDerWaalsContact OG1-CE 3.31Å; T564-K594 WeakPolarHBondContact OG1-CE 3.48Å; T564-K594 PolarHBondContact OG1-NZ 2.96Å; D565-K594 PolarHBondContact O-NZ 3.44Å; L570-K594 HydrophobicContact CD1-CB 3.94Å; L570-K594 HydrophobicContact CD1-CG 4.34Å; L570-K594 HydrophobicContact CD2-CD 4.28Å; L570-K594 HydrophobicContact CD2-CG 4.41Å; L578-K594 HydrophobicContact CD1-CB 3.97Å; A591-K594 PolarHBondContact O-N 3.05Å; A591-K594 VanDerWaalsContact O-N 3.16Å; Y592-K594 VanDerWaalsContact C-N 3.33Å; Y592-K594 PolarHBondContact O-N 3.29Å; K594-S597 WeakPolarHBondContact CA-OG 3.15Å; K594-S597 PolarHBondContact O-OG 3.21Å; K594-S598 PolarHBondContact O-N 2.94Å; K594-S598 PolarHBondContact O-OG 2.94Å
595	L	95.4	Very high	93.6	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-47.6	175.1	176.4	62.3	0	0	0	111.5	L578 W579 R582 A591 Y592 S597 S598 L613	L578-L595 HydrophobicContact CB-CD1 4.36Å; L578-L595 WeakPolarHBondContact O-CD1 3.27Å; W579-L595 HydrophobicContact CE3-CD1 4.47Å; R582-L595 HydrophobicContact CB-CD1 3.88Å; A591-L595 WeakPolarHBondContact O-CB 3.17Å; A591-L595 PolarHBondContact O-N 3.28Å; Y592-L595 PolarHBondContact O-N 2.73Å; L595-S597 PolarHBondContact O-N 3.44Å; L595-S598 WeakPolarHBondContact O-CA 3.31Å; L595-S598 VanDerWaalsContact O-CB 3.26Å; L595-S598 WeakPolarHBondContact O-CB 3.08Å; L595-S598 PolarHBondContact O-N 3.35Å; L595-L613 HydrophobicContact CD2-CD2 4.02Å
596	L	95.6	Very high	93.7	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-70.3	-31.7	-177	-68.6	169.9	0	0	0	112.7	Y592 S598 V599 W601 T610 L614 L633 F638 V643	Y592-L596 VanDerWaalsContact O-CB 3.29Å; Y592-L596 WeakPolarHBondContact O-CB 3.29Å; Y592-L596 VanDerWaalsContact O-CG 3.22Å; Y592-L596 WeakPolarHBondContact O-CG 3.42Å; Y592-L596 PolarHBondContact O-N 3.38Å; L596-S598 PolarHBondContact O-N 3.5Å; L596-V599 WeakPolarHBondContact O-CB 3.47Å; L596-V599 WeakPolarHBondContact O-CG2 3.48Å; L596-V599 PolarHBondContact O-N 3.03Å; L596-W601 PolarHBondContact O-NE1 3.3Å; L596-T610 HydrophobicContact CD2-CG2 4Å; L596-L614 HydrophobicContact CD2-CD1 4.25Å; L596-L614 HydrophobicContact CD2-CD2 4.31Å; L596-L633 HydrophobicContact CD1-CD2 3.91Å; L596-F638 HydrophobicContact CB-CD1 4.16Å; L596-F638 HydrophobicContact CB-CE1 3.61Å; L596-V643 HydrophobicContact CD1-CB 4.43Å; L596-V643 HydrophobicContact CD1-CG1 3.72Å; L596-V643 HydrophobicContact CD1-CG2 3.85Å; L596-V643 HydrophobicContact CD2-CG2 3.89Å; L596-V643 HydrophobicContact CG-CG2 4.42Å
597	S	94.3	Very high	93.9	Very high	44 Å²	44	41.9 Å²	41.9	31%	0.308	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-9.7	170.8	58.4	0	0	0	0	113.9	P593 K594 L595	P593-S597 WeakPolarHBondContact O-CB 3.23Å; P593-S597 PolarHBondContact O-N 2.93Å; P593-S597 PolarHBondContact O-OG 3.37Å; K594-S597 WeakPolarHBondContact CA-OG 3.15Å; K594-S597 PolarHBondContact O-OG 3.21Å; L595-S597 PolarHBondContact O-N 3.44Å
598	S	95.3	Very high	94.1	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.063	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-9.9	173.1	-55.5	0	0	0	0	113	K575 L578 K594 L595 L596	K575-S598 WeakPolarHBondContact CA-OG 3.24Å; L578-S598 WeakPolarHBondContact CD1-OG 3.43Å; K594-S598 PolarHBondContact O-N 2.94Å; K594-S598 PolarHBondContact O-OG 2.94Å; L595-S598 WeakPolarHBondContact O-CA 3.31Å; L595-S598 VanDerWaalsContact O-CB 3.26Å; L595-S598 WeakPolarHBondContact O-CB 3.08Å; L595-S598 PolarHBondContact O-N 3.35Å; L596-S598 PolarHBondContact O-N 3.5Å
599	V	95.9	Very high	94.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.189	C	C	.	.	S	Bend	trans	-69	132.3	178.8	178.8	0	0	0	0	110.1	W579 L596 W601 I606 T610	W579-V599 HydrophobicContact CE3-CG2 4.12Å; W579-V599 HydrophobicContact CZ3-CG2 3.76Å; L596-V599 WeakPolarHBondContact O-CB 3.47Å; L596-V599 WeakPolarHBondContact O-CG2 3.48Å; L596-V599 PolarHBondContact O-N 3.03Å; V599-W601 HydrophobicContact CB-CD2 4.28Å; V599-W601 HydrophobicContact CB-CZ2 4.05Å; V599-W601 HydrophobicContact CG1-CD2 3.8Å; V599-W601 HydrophobicContact CG1-CE3 4.18Å; V599-W601 HydrophobicContact CG1-CG 4.18Å; V599-W601 HydrophobicContact CG1-CH2 4.43Å; V599-W601 HydrophobicContact CG1-CZ2 4.08Å; V599-W601 HydrophobicContact CG1-CZ3 4.48Å; V599-W601 HydrophobicContact CG2-CZ2 4.34Å; V599-W601 VanDerWaalsContact O-CD1 3.28Å; V599-W601 PolarHBondContact O-N 3.06Å; V599-W601 VanDerWaalsContact O-N 3.16Å; V599-I606 HydrophobicContact CG1-CG2 3.92Å; V599-T610 WeakPolarHBondContact CG1-OG1 3.13Å; V599-T610 HydrophobicContact CG2-CG2 4.14Å
600	K	95.4	Very high	94.1	Very high	105 Å²	105	36.2 Å²	36.2	46%	0.457	18%	0.178	S	C	.	.			trans	-83.4	84.7	171.2	-63.9	-179.1	-178	178.6	0	109.1	G602 Q603 I606	K600-G602 PolarHBondContact O-N 3.36Å; K600-Q603 PolarHBondContact O-N 3.03Å; K600-I606 HydrophobicContact CB-CD1 3.94Å; K600-I606 HydrophobicContact CB-CG2 4.39Å; K600-I606 HydrophobicContact CD-CD1 4.15Å; K600-I606 HydrophobicContact CG-CD1 4.42Å
601	W	96	Very high	94.1	Very high	11 Å²	11	32 Å²	32	4%	0.042	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.9	-173.8	-66.6	101.2	0	0	0	114.5	H389 Q392 P424 L596 V599 Q603 V607 T610 D640 V643	H389-W601 AromaticContact CE1-CD2 3.55Å; H389-W601 AromaticContact CE1-CE3 3.72Å; H389-W601 AromaticContact CE1-CG 3.71Å; H389-W601 AromaticContact ND1-CD1 3.8Å; H389-W601 AromaticContact ND1-CD2 3.78Å; H389-W601 AromaticContact ND1-CG 3.4Å; Q392-W601 VanDerWaalsContact OE1-CD1 3.32Å; P424-W601 HydrophobicContact CG-CB 4.43Å; L596-W601 PolarHBondContact O-NE1 3.3Å; V599-W601 HydrophobicContact CB-CD2 4.28Å; V599-W601 HydrophobicContact CB-CZ2 4.05Å; V599-W601 HydrophobicContact CG1-CD2 3.8Å; V599-W601 HydrophobicContact CG1-CE3 4.18Å; V599-W601 HydrophobicContact CG1-CG 4.18Å; V599-W601 HydrophobicContact CG1-CH2 4.43Å; V599-W601 HydrophobicContact CG1-CZ2 4.08Å; V599-W601 HydrophobicContact CG1-CZ3 4.48Å; V599-W601 HydrophobicContact CG2-CZ2 4.34Å; V599-W601 VanDerWaalsContact O-CD1 3.28Å; V599-W601 PolarHBondContact O-N 3.06Å; V599-W601 VanDerWaalsContact O-N 3.16Å; W601-Q603 PolarHBondContact O-N 3.12Å; W601-Q603 VanDerWaalsContact O-N 3.15Å; W601-V607 HydrophobicContact CE3-CG1 4.37Å; W601-V607 HydrophobicContact CE3-CG2 3.86Å; W601-V607 HydrophobicContact CZ3-CG1 4.27Å; W601-V607 HydrophobicContact CZ3-CG2 4.47Å; W601-V607 WeakPolarHBondContact O-CG2 3.41Å; W601-T610 HydrophobicContact CH2-CG2 4.29Å; W601-D640 HydrophobicContact CE3-CB 4.43Å; W601-D640 HydrophobicContact CH2-CB 3.57Å; W601-D640 HydrophobicContact CZ2-CB 4.26Å; W601-D640 HydrophobicContact CZ3-CB 3.67Å; W601-D640 WeakPolarHBondContact CZ3-OD2 3.45Å; W601-V643 HydrophobicContact CH2-CG2 4.09Å; W601-V643 HydrophobicContact CZ2-CG2 4.46Å
602	G	95.8	Very high	93.9	Very high	18 Å²	18	33.6 Å²	33.6	19%	0.186	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	27.2	173.7	0	0	0	0	0	114.8	D422 K600	D422-G602 WeakPolarHBondContact CB-O 3.43Å; D422-G602 CarbonylContact O-C 3.33Å; K600-G602 PolarHBondContact O-N 3.36Å
603	Q	95.7	Very high	93.5	Very high	90 Å²	90	33.7 Å²	33.7	42%	0.421	17%	0.167	S	C	.	.			trans	-139.5	111.6	175.8	-66.1	-173.5	10.7	0	0	110.1	K600 W601 E605 I606 V607	K600-Q603 PolarHBondContact O-N 3.03Å; W601-Q603 PolarHBondContact O-N 3.12Å; W601-Q603 VanDerWaalsContact O-N 3.15Å; Q603-E605 VanDerWaalsContact C-N 3.32Å; Q603-E605 PolarHBondContact O-N 2.69Å; Q603-I606 HydrophobicContact CB-CB 4.13Å; Q603-I606 HydrophobicContact CB-CD1 4.24Å; Q603-I606 HydrophobicContact CB-CG1 4.24Å; Q603-I606 PolarHBondContact O-N 3.07Å; Q603-I606 VanDerWaalsContact O-N 3.1Å; Q603-V607 WeakPolarHBondContact O-CG2 3.28Å; Q603-V607 PolarHBondContact O-N 3.44Å; Q603-V607 VanDerWaalsContact O-N 3.09Å
604	Q	93.9	Very high	93.3	Very high	42 Å²	42	34 Å²	34	20%	0.196	17%	0.168	C	C	.	.	H	α-helix	trans	-58	-41.2	-173	174.6	-88.6	-40.4	0	0	113.4	W355 K421 D422 I606 V607 A608	W355-Q604 HydrophobicContact CD2-CG 4.24Å; W355-Q604 HydrophobicContact CG-CG 4.12Å; K421-Q604 WeakPolarHBondContact O-CB 3.4Å; D422-Q604 WeakPolarHBondContact OD1-CB 3.25Å; D422-Q604 PolarHBondContact OD1-N 3.02Å; Q604-I606 VanDerWaalsContact C-N 3.31Å; Q604-I606 PolarHBondContact O-N 3.18Å; Q604-V607 PolarHBondContact O-N 3.01Å; Q604-A608 WeakPolarHBondContact O-CB 3.46Å; Q604-A608 PolarHBondContact O-N 3.15Å
605	E	91.9	Very high	92.8	Very high	130 Å²	130	35.3 Å²	35.3	61%	0.607	18%	0.183	S	C	*	.	H	α-helix	trans	-64.8	-34.9	179.8	-62.3	176.5	-166.3	0	0	112.7	Q603 K609	Q603-E605 VanDerWaalsContact C-N 3.32Å; Q603-E605 PolarHBondContact O-N 2.69Å; E605-K609 WeakPolarHBondContact O-CG 3.32Å; E605-K609 PolarHBondContact O-N 3.36Å
606	I	93.8	Very high	92.1	Very high	23 Å²	23	41.2 Å²	41.2	12%	0.118	21%	0.208	C	C	.	.	H	α-helix	trans	-73.4	-44.7	177.9	-72.2	-175.2	0	0	0	110.1	W579 V599 K600 Q603 Q604 A608 K609 T610	W579-I606 HydrophobicContact CH2-CG2 3.91Å; W579-I606 HydrophobicContact CZ2-CB 4.39Å; W579-I606 HydrophobicContact CZ2-CG2 3.62Å; V599-I606 HydrophobicContact CG1-CG2 3.92Å; K600-I606 HydrophobicContact CB-CD1 3.94Å; K600-I606 HydrophobicContact CB-CG2 4.39Å; K600-I606 HydrophobicContact CD-CD1 4.15Å; K600-I606 HydrophobicContact CG-CD1 4.42Å; Q603-I606 HydrophobicContact CB-CB 4.13Å; Q603-I606 HydrophobicContact CB-CD1 4.24Å; Q603-I606 HydrophobicContact CB-CG1 4.24Å; Q603-I606 PolarHBondContact O-N 3.07Å; Q603-I606 VanDerWaalsContact O-N 3.1Å; Q604-I606 VanDerWaalsContact C-N 3.31Å; Q604-I606 PolarHBondContact O-N 3.18Å; I606-A608 VanDerWaalsContact C-N 3.31Å; I606-A608 PolarHBondContact O-N 3.28Å; I606-K609 WeakPolarHBondContact O-CB 3.14Å; I606-K609 PolarHBondContact O-N 3.22Å; I606-K609 VanDerWaalsContact O-N 3.15Å; I606-T610 PolarHBondContact O-N 3.18Å; I606-T610 PolarHBondContact O-OG1 3.34Å; I606-T610 VanDerWaalsContact O-OG1 3.13Å
607	V	93.6	Very high	91.3	Very high	15 Å²	15	43.8 Å²	43.8	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-42.2	176.5	176.4	0	0	0	0	111.1	W601 Q603 Q604 K609 T610 Y611	W601-V607 HydrophobicContact CE3-CG1 4.37Å; W601-V607 HydrophobicContact CE3-CG2 3.86Å; W601-V607 HydrophobicContact CZ3-CG1 4.27Å; W601-V607 HydrophobicContact CZ3-CG2 4.47Å; W601-V607 WeakPolarHBondContact O-CG2 3.41Å; Q603-V607 WeakPolarHBondContact O-CG2 3.28Å; Q603-V607 PolarHBondContact O-N 3.44Å; Q603-V607 VanDerWaalsContact O-N 3.09Å; Q604-V607 PolarHBondContact O-N 3.01Å; V607-K609 PolarHBondContact O-N 3.38Å; V607-T610 WeakPolarHBondContact O-CB 3.38Å; V607-T610 PolarHBondContact O-N 3.21Å; V607-T610 VanDerWaalsContact O-N 3.13Å; V607-Y611 HydrophobicContact CG1-CD2 4.41Å; V607-Y611 HydrophobicContact CG1-CE1 4.2Å; V607-Y611 HydrophobicContact CG1-CE2 3.85Å; V607-Y611 PolarHBondContact O-N 3.41Å
608	A	90.6	Very high	90.9	Very high	11 Å²	11	48.6 Å²	48.6	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-56.2	-48.1	173.2	0	0	0	0	0	112.2	H535 Q604 I606 T610 Y611 Q612	H535-A608 WeakPolarHBondContact CE1-CB 3.32Å; H535-A608 PolarHBondContact NE2-O 3.42Å; Q604-A608 WeakPolarHBondContact O-CB 3.46Å; Q604-A608 PolarHBondContact O-N 3.15Å; I606-A608 VanDerWaalsContact C-N 3.31Å; I606-A608 PolarHBondContact O-N 3.28Å; A608-T610 VanDerWaalsContact C-N 3.3Å; A608-T610 PolarHBondContact O-N 3.32Å; A608-Y611 PolarHBondContact O-N 3.18Å; A608-Q612 WeakPolarHBondContact O-CG 3.46Å; A608-Q612 PolarHBondContact O-N 3.2Å
609	K	90.6	Very high	90.4	Very high	91 Å²	91	51 Å²	51	40%	0.396	25%	0.251	S	S	.	.	H	α-helix	trans	-62.2	-36.1	175.4	-72.8	175.7	-178.8	-179.9	0	112.6	W579 E605 I606 V607 Q612 L613	W579-K609 HydrophobicContact CH2-CB 4.34Å; W579-K609 HydrophobicContact CZ2-CB 4.31Å; E605-K609 WeakPolarHBondContact O-CG 3.32Å; E605-K609 PolarHBondContact O-N 3.36Å; I606-K609 WeakPolarHBondContact O-CB 3.14Å; I606-K609 PolarHBondContact O-N 3.22Å; I606-K609 VanDerWaalsContact O-N 3.15Å; V607-K609 PolarHBondContact O-N 3.38Å; K609-Q612 PolarHBondContact O-N 2.83Å; K609-L613 WeakPolarHBondContact O-CB 3.43Å; K609-L613 PolarHBondContact O-N 3.27Å
610	T	93.1	Very high	90.1	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-46.2	174	-57.8	0	0	0	0	110.7	W579 L596 V599 W601 I606 V607 A608 Q612 L613 L614	W579-T610 VanDerWaalsContact CH2-OG1 3.25Å; W579-T610 WeakPolarHBondContact CH2-OG1 2.83Å; W579-T610 WeakPolarHBondContact CZ3-OG1 3.45Å; L596-T610 HydrophobicContact CD2-CG2 4Å; V599-T610 WeakPolarHBondContact CG1-OG1 3.13Å; V599-T610 HydrophobicContact CG2-CG2 4.14Å; W601-T610 HydrophobicContact CH2-CG2 4.29Å; I606-T610 PolarHBondContact O-N 3.18Å; I606-T610 PolarHBondContact O-OG1 3.34Å; I606-T610 VanDerWaalsContact O-OG1 3.13Å; V607-T610 WeakPolarHBondContact O-CB 3.38Å; V607-T610 PolarHBondContact O-N 3.21Å; V607-T610 VanDerWaalsContact O-N 3.13Å; A608-T610 VanDerWaalsContact C-N 3.3Å; A608-T610 PolarHBondContact O-N 3.32Å; T610-Q612 PolarHBondContact O-N 3.47Å; T610-L613 WeakPolarHBondContact O-CB 3.29Å; T610-L613 PolarHBondContact O-N 2.84Å; T610-L613 VanDerWaalsContact O-N 3.16Å; T610-L614 HydrophobicContact CG2-CD1 4.13Å; T610-L614 HydrophobicContact CG2-CG 4.32Å; T610-L614 WeakPolarHBondContact O-CG 3.29Å; T610-L614 PolarHBondContact O-N 2.99Å
611	Y	91.4	Very high	89.7	Confident	44 Å²	44	49.1 Å²	49.1	17%	0.173	25%	0.246	C	C	.	.	H	α-helix	trans	-66	-36.2	177.6	-64.7	-18	0	0	0	113.1	H535 V607 A608 L613 L614 A615 D640 N642	H535-Y611 HydrophobicContact CB-CD2 4.14Å; V607-Y611 HydrophobicContact CG1-CD2 4.41Å; V607-Y611 HydrophobicContact CG1-CE1 4.2Å; V607-Y611 HydrophobicContact CG1-CE2 3.85Å; V607-Y611 PolarHBondContact O-N 3.41Å; A608-Y611 PolarHBondContact O-N 3.18Å; Y611-L613 VanDerWaalsContact C-N 3.3Å; Y611-L613 PolarHBondContact O-N 3.44Å; Y611-L614 PolarHBondContact O-N 3.46Å; Y611-A615 WeakPolarHBondContact O-CB 3.36Å; Y611-A615 PolarHBondContact O-N 3.43Å; Y611-D640 WeakPolarHBondContact CE1-OD2 3.05Å; Y611-D640 PolarHBondContact OH-OD2 3.24Å; Y611-N642 HydrophobicContact CD1-CB 4.34Å; Y611-N642 WeakPolarHBondContact CD1-ND2 3.47Å; Y611-N642 HydrophobicContact CE1-CB 4.05Å; Y611-N642 WeakPolarHBondContact CE1-ND2 3.43Å
612	Q	87.9	Confident	89.3	Confident	35 Å²	35	56.3 Å²	56.3	16%	0.164	28%	0.28	C	S	.	.	H	α-helix	trans	-62.9	-37.9	171.9	-69	170.4	-2.2	0	0	112.2	A608 K609 T610	A608-Q612 WeakPolarHBondContact O-CG 3.46Å; A608-Q612 PolarHBondContact O-N 3.2Å; K609-Q612 PolarHBondContact O-N 2.83Å; T610-Q612 PolarHBondContact O-N 3.47Å
613	L	88.4	Confident	89	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-66.5	-48.4	175.4	-178.8	69.7	0	0	0	111	R582 Y583 I586 L595 K609 T610 Y611 A615 K616	R582-L613 HydrophobicContact CB-CD2 3.84Å; R582-L613 HydrophobicContact CG-CD1 4.44Å; R582-L613 HydrophobicContact CG-CD2 4.13Å; Y583-L613 HydrophobicContact CD1-CD1 3.41Å; Y583-L613 VanDerWaalsContact CD1-CD1 3.41Å; Y583-L613 HydrophobicContact CE1-CD1 3.49Å; Y583-L613 VanDerWaalsContact CE1-CD1 3.49Å; Y583-L613 HydrophobicContact CG-CD1 4.23Å; I586-L613 HydrophobicContact CB-CD1 4.38Å; I586-L613 HydrophobicContact CD1-CD1 3.88Å; I586-L613 HydrophobicContact CD1-CD2 4.24Å; I586-L613 HydrophobicContact CD1-CG 3.61Å; I586-L613 HydrophobicContact CG2-CD1 4.11Å; L595-L613 HydrophobicContact CD2-CD2 4.02Å; K609-L613 WeakPolarHBondContact O-CB 3.43Å; K609-L613 PolarHBondContact O-N 3.27Å; T610-L613 WeakPolarHBondContact O-CB 3.29Å; T610-L613 PolarHBondContact O-N 2.84Å; T610-L613 VanDerWaalsContact O-N 3.16Å; Y611-L613 VanDerWaalsContact C-N 3.3Å; Y611-L613 PolarHBondContact O-N 3.44Å; L613-A615 PolarHBondContact O-N 3.45Å; L613-K616 PolarHBondContact O-N 2.88Å
614	L	89.1	Confident	88.7	Confident	14 Å²	14	58.7 Å²	58.7	7%	0.073	30%	0.298	C	S	.	.	H	α-helix	trans	-68.9	-18.7	178.9	-65	-176.9	0	0	0	113.4	Y592 L596 T610 Y611 K616 K617 V643 M646	Y592-L614 HydrophobicContact CE1-CD2 4.41Å; L596-L614 HydrophobicContact CD2-CD1 4.25Å; L596-L614 HydrophobicContact CD2-CD2 4.31Å; T610-L614 HydrophobicContact CG2-CD1 4.13Å; T610-L614 HydrophobicContact CG2-CG 4.32Å; T610-L614 WeakPolarHBondContact O-CG 3.29Å; T610-L614 PolarHBondContact O-N 2.99Å; Y611-L614 PolarHBondContact O-N 3.46Å; L614-K616 PolarHBondContact O-N 2.68Å; L614-K617 VanDerWaalsContact O-CB 3.27Å; L614-K617 WeakPolarHBondContact O-CB 3.48Å; L614-K617 WeakPolarHBondContact O-CG 3.22Å; L614-V643 HydrophobicContact CD1-CG2 3.99Å; L614-M646 HydrophobicContact CB-CE 3.83Å; L614-M646 HydrophobicContact CD1-CE 4.2Å; L614-M646 HydrophobicContact CD2-CE 3.71Å; L614-M646 HydrophobicContact CD2-SD 4.39Å; L614-M646 HydrophobicContact CG-CE 4.1Å
615	A	84.9	Confident	88.5	Confident	46 Å²	46	59.2 Å²	59.2	38%	0.38	30%	0.302	S	S	.	.	H	α-helix	trans	-65.8	-27	170.1	0	0	0	0	0	112.2	I537 Y611 L613 K617	I537-A615 HydrophobicContact CD1-CB 3.75Å; I537-A615 HydrophobicContact CG1-CB 4.24Å; I537-A615 HydrophobicContact CG2-CB 4.05Å; Y611-A615 WeakPolarHBondContact O-CB 3.36Å; Y611-A615 PolarHBondContact O-N 3.43Å; L613-A615 PolarHBondContact O-N 3.45Å; A615-K617 VanDerWaalsContact C-N 3.27Å; A615-K617 PolarHBondContact O-N 3.49Å
616	K	80.9	Confident	88.5	Confident	129 Å²	129	56 Å²	56	56%	0.561	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	45.4	177.1	-60.2	-179.7	-177	174.8	0	111.7	L613 L614 E618	L613-K616 PolarHBondContact O-N 2.88Å; L614-K616 PolarHBondContact O-N 2.68Å; K616-E618 PolarHBondContact O-N 3.46Å
617	K	79.4	Confident	88.4	Confident	57 Å²	57	55.9 Å²	55.9	25%	0.248	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	22.4	-174.3	59.4	171.6	-175.2	-178.6	0	114.8	L614 A615 V619 W620 D621 M646	L614-K617 VanDerWaalsContact O-CB 3.27Å; L614-K617 WeakPolarHBondContact O-CB 3.48Å; L614-K617 WeakPolarHBondContact O-CG 3.22Å; A615-K617 VanDerWaalsContact C-N 3.27Å; A615-K617 PolarHBondContact O-N 3.49Å; K617-V619 VanDerWaalsContact C-N 3.27Å; K617-V619 PolarHBondContact O-N 3.43Å; K617-W620 HydrophobicContact CB-CB 4.12Å; K617-W620 CarbonylContact O-C 3.59Å; K617-W620 WeakPolarHBondContact O-CA 3.32Å; K617-W620 WeakPolarHBondContact O-CB 3.4Å; K617-W620 PolarHBondContact O-N 3.08Å; K617-D621 WeakPolarHBondContact CE-OD2 3.31Å; K617-D621 WeakPolarHBondContact CG-OD2 3.43Å; K617-D621 PolarHBondContact O-N 2.93Å; K617-M646 HydrophobicContact CB-CE 4.22Å; K617-M646 HydrophobicContact CD-CE 4Å
618	E	84.8	Confident	88.3	Confident	145 Å²	145	55.2 Å²	55.2	68%	0.678	29%	0.285	S	S	*	.	H	α-helix	trans	-55.7	-42.4	-178.4	-65.8	176.8	-177.3	0	0	112.4	K616 D621 Q622	K616-E618 PolarHBondContact O-N 3.46Å; E618-D621 PolarHBondContact O-N 3.35Å; E618-Q622 WeakPolarHBondContact O-CB 3.32Å; E618-Q622 VanDerWaalsContact O-CG 3.3Å; E618-Q622 WeakPolarHBondContact O-CG 3.44Å; E618-Q622 PolarHBondContact O-N 3.49Å
619	V	85.6	Confident	88.4	Confident	61 Å²	61	55.2 Å²	55.2	37%	0.37	28%	0.284	S	S	.	.	H	α-helix	trans	-64.7	-40.7	177	178.5	0	0	0	0	111.5	P589 K617 S623	P589-V619 HydrophobicContact CG-CG1 4.39Å; K617-V619 VanDerWaalsContact C-N 3.27Å; K617-V619 PolarHBondContact O-N 3.43Å; V619-S623 PolarHBondContact O-N 3.38Å; V619-S623 VanDerWaalsContact O-N 3.12Å
620	W	88.9	Confident	88.6	Confident	2 Å²	2	51 Å²	51	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-55.2	173.6	177.2	-96	0	0	0	110	Y592 K617 Q622 S623 L629 L633 M646 K650	Y592-W620 HydrophobicContact CD1-CD2 4.3Å; Y592-W620 AromaticContact CD1-CE3 3.59Å; Y592-W620 HydrophobicContact CD1-CE3 3.59Å; Y592-W620 AromaticContact CD1-CZ3 3.8Å; Y592-W620 HydrophobicContact CD1-CZ3 3.8Å; Y592-W620 HydrophobicContact CD2-CE3 4.09Å; Y592-W620 HydrophobicContact CD2-CZ3 4.27Å; Y592-W620 HydrophobicContact CE1-CB 4.02Å; Y592-W620 HydrophobicContact CE1-CD2 4.01Å; Y592-W620 AromaticContact CE1-CE3 3.56Å; Y592-W620 HydrophobicContact CE1-CE3 3.56Å; Y592-W620 HydrophobicContact CE1-CG 4.23Å; Y592-W620 HydrophobicContact CE1-CZ3 4.25Å; Y592-W620 HydrophobicContact CE2-CE3 4.05Å; Y592-W620 AromaticContact CG-CE3 3.86Å; Y592-W620 HydrophobicContact CG-CE3 3.86Å; Y592-W620 AromaticContact CG-CZ3 3.8Å; Y592-W620 HydrophobicContact CG-CZ3 3.8Å; Y592-W620 AromaticContact CZ-CE3 3.79Å; Y592-W620 WeakPolarHBondContact OH-CB 3.36Å; K617-W620 HydrophobicContact CB-CB 4.12Å; K617-W620 CarbonylContact O-C 3.59Å; K617-W620 WeakPolarHBondContact O-CA 3.32Å; K617-W620 WeakPolarHBondContact O-CB 3.4Å; K617-W620 PolarHBondContact O-N 3.08Å; W620-Q622 VanDerWaalsContact C-N 3.25Å; W620-Q622 PolarHBondContact O-N 2.74Å; W620-S623 WeakPolarHBondContact O-CB 3.33Å; W620-S623 PolarHBondContact O-N 3.07Å; W620-S623 PolarHBondContact O-OG 3.24Å; W620-L629 HydrophobicContact CH2-CD2 3.18Å; W620-L629 HydrophobicContact CZ2-CD2 4.37Å; W620-L629 HydrophobicContact CZ3-CD2 3.33Å; W620-L633 HydrophobicContact CH2-CD1 3.49Å; W620-L633 VanDerWaalsContact CH2-CD1 3.49Å; W620-L633 HydrophobicContact CZ2-CD1 4.03Å; W620-L633 HydrophobicContact CZ3-CD1 4.23Å; W620-M646 HydrophobicContact CD2-CG 4.25Å; W620-M646 HydrophobicContact CD2-SD 3.98Å; W620-M646 HydrophobicContact CG-CG 4.2Å; W620-M646 HydrophobicContact CG-SD 3.94Å; W620-M646 HydrophobicContact CZ2-CG 4.18Å; W620-M646 PolarHBondContact NE1-O 2.92Å; W620-K650 HydrophobicContact CZ2-CG 3.7Å; W620-K650 VanDerWaalsContact NE1-CG 3.26Å; W620-K650 WeakPolarHBondContact O-CE 3.07Å; W620-K650 PolarHBondContact O-NZ 3.21Å
621	D	87.5	Confident	88.6	Confident	64 Å²	64	51 Å²	51	34%	0.342	27%	0.266	S	S	.	.	H	α-helix	trans	-57.4	-38.2	-175.2	-72.4	-20.7	0	0	0	111.9	K617 E618 Q649 K650	K617-D621 WeakPolarHBondContact CE-OD2 3.31Å; K617-D621 WeakPolarHBondContact CG-OD2 3.43Å; K617-D621 PolarHBondContact O-N 2.93Å; E618-D621 PolarHBondContact O-N 3.35Å; D621-Q649 PolarHBondContact OD1-NE2 3.42Å; D621-K650 VanDerWaalsContact C-NZ 3.34Å; D621-K650 PolarHBondContact O-NZ 3.18Å
622	Q	88.6	Confident	88.7	Confident	162 Å²	162	49.9 Å²	49.9	76%	0.757	26%	0.262	S	S	*	.	H	α-helix	trans	-79.5	-14.9	176.2	-67.5	174.6	8.6	0	0	114.6	E618 W620	E618-Q622 WeakPolarHBondContact O-CB 3.32Å; E618-Q622 VanDerWaalsContact O-CG 3.3Å; E618-Q622 WeakPolarHBondContact O-CG 3.44Å; E618-Q622 PolarHBondContact O-N 3.49Å; W620-Q622 VanDerWaalsContact C-N 3.25Å; W620-Q622 PolarHBondContact O-N 2.74Å
623	S	89.4	Confident	89	Confident	30 Å²	30	48.3 Å²	48.3	21%	0.21	26%	0.255	C	S	.	.	S	Bend	trans	-63.9	147.7	179.9	83.6	0	0	0	0	111.4	V619 W620 K650	V619-S623 PolarHBondContact O-N 3.38Å; V619-S623 VanDerWaalsContact O-N 3.12Å; W620-S623 WeakPolarHBondContact O-CB 3.33Å; W620-S623 PolarHBondContact O-N 3.07Å; W620-S623 PolarHBondContact O-OG 3.24Å; S623-K650 PolarHBondContact O-NZ 2.87Å; S623-K650 PolarHBondContact OG-NZ 2.6Å
624	T	89.1	Confident	89.3	Confident	127 Å²	127	48.1 Å²	48.1	78%	0.779	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-58.8	149.4	166.8	53.5	0	0	0	0	109.9	D626	T624-D626 PolarHBondContact O-N 3.15Å
625	L	89	Confident	89.4	Confident	54 Å²	54	48 Å²	48	28%	0.283	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-67.1	122.4	175	174.6	64.3	0	0	0	109.4	V627 K650 L654	L625-V627 HydrophobicContact CD2-CG2 4.34Å; L625-V627 HydrophobicContact CG-CG2 4.33Å; L625-K650 HydrophobicContact CD1-CB 3.9Å; L625-L654 HydrophobicContact CD2-CD2 3.37Å; L625-L654 HydrophobicContact CD2-CG 3.63Å
626	D	92.3	Very high	89.5	Confident	62 Å²	62	46 Å²	46	33%	0.332	24%	0.236	S	C	.	.			trans	-114.9	107.5	166.7	179.7	-27.1	0	0	0	107.1	T624 G628 L629 T630	T624-D626 PolarHBondContact O-N 3.15Å; D626-G628 PolarHBondContact OD1-N 3.47Å; D626-L629 HydrophobicContact CB-CB 3.81Å; D626-L629 PolarHBondContact O-N 2.97Å; D626-L629 PolarHBondContact OD1-N 2.95Å; D626-T630 WeakPolarHBondContact O-CB 3.44Å; D626-T630 PolarHBondContact O-N 2.98Å; D626-T630 PolarHBondContact O-OG1 3.22Å
627	V	91.9	Very high	89.9	Confident	20 Å²	20	43.2 Å²	43.2	12%	0.121	23%	0.228	C	C	.	.	H	α-helix	trans	-63.3	-43.6	-176.6	-179.7	0	0	0	0	110.7	L625 L629 T630 M631 L654 Y662 L1029	L625-V627 HydrophobicContact CD2-CG2 4.34Å; L625-V627 HydrophobicContact CG-CG2 4.33Å; V627-L629 VanDerWaalsContact C-N 3.28Å; V627-L629 PolarHBondContact O-N 2.71Å; V627-T630 PolarHBondContact O-N 2.85Å; V627-T630 VanDerWaalsContact O-N 3.16Å; V627-M631 HydrophobicContact CG1-CG 3.99Å; V627-M631 WeakPolarHBondContact O-CB 3.19Å; V627-M631 WeakPolarHBondContact O-CG 3.25Å; V627-M631 PolarHBondContact O-N 3.21Å; V627-L654 HydrophobicContact CG2-CD2 3.93Å; V627-Y662 HydrophobicContact CB-CE2 4.3Å; V627-Y662 HydrophobicContact CG1-CD1 4.2Å; V627-Y662 HydrophobicContact CG1-CD2 3.87Å; V627-Y662 HydrophobicContact CG1-CE1 4.07Å; V627-Y662 HydrophobicContact CG1-CE2 3.75Å; V627-Y662 HydrophobicContact CG1-CG 4.1Å; V627-Y662 HydrophobicContact CG2-CE2 4.01Å; V627-L1029 HydrophobicContact CB-CD1 4.45Å; V627-L1029 HydrophobicContact CG1-CD1 4.24Å
628	G	90.7	Very high	90.6	Very high	1 Å²	1	41 Å²	41	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-39.2	-179.1	0	0	0	0	0	111.8	D626 Q632	D626-G628 PolarHBondContact OD1-N 3.47Å; G628-Q632 WeakPolarHBondContact O-CG 3.41Å; G628-Q632 PolarHBondContact O-N 2.79Å; G628-Q632 PolarHBondContact O-NE2 3.34Å
629	L	92.4	Very high	91	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.063	19%	0.19	C	C	.	.	H	α-helix	trans	-68.6	-41.7	174.7	-175.9	143.5	0	0	0	112.9	P589 K590 W620 D626 V627 Q632	P589-L629 WeakPolarHBondContact O-CD1 3.26Å; K590-L629 VanDerWaalsContact CA-CD1 3.44Å; K590-L629 HydrophobicContact CB-CD1 4.26Å; K590-L629 HydrophobicContact CG-CD1 3.98Å; W620-L629 HydrophobicContact CH2-CD2 3.18Å; W620-L629 HydrophobicContact CZ2-CD2 4.37Å; W620-L629 HydrophobicContact CZ3-CD2 3.33Å; D626-L629 HydrophobicContact CB-CB 3.81Å; D626-L629 PolarHBondContact O-N 2.97Å; D626-L629 PolarHBondContact OD1-N 2.95Å; V627-L629 VanDerWaalsContact C-N 3.28Å; V627-L629 PolarHBondContact O-N 2.71Å; L629-Q632 WeakPolarHBondContact O-CB 3.41Å; L629-Q632 PolarHBondContact O-N 3.15Å
630	T	94.9	Very high	91.6	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	17%	0.173	C	C	.	.	H	α-helix	trans	-66.1	-41.3	-179.2	-55.6	0	0	0	0	111	D626 V627 Q632 L633 A647 K650 L651	D626-T630 WeakPolarHBondContact O-CB 3.44Å; D626-T630 PolarHBondContact O-N 2.98Å; D626-T630 PolarHBondContact O-OG1 3.22Å; V627-T630 PolarHBondContact O-N 2.85Å; V627-T630 VanDerWaalsContact O-N 3.16Å; T630-Q632 VanDerWaalsContact C-N 3.29Å; T630-Q632 PolarHBondContact O-N 3.18Å; T630-L633 PolarHBondContact O-N 2.94Å; T630-A647 HydrophobicContact CG2-CB 3.88Å; T630-A647 WeakPolarHBondContact CG2-O 3.44Å; T630-K650 HydrophobicContact CG2-CB 4.11Å; T630-L651 HydrophobicContact CG2-CD1 4.47Å; T630-L651 HydrophobicContact CG2-CD2 3.55Å; T630-L651 HydrophobicContact CG2-CG 3.7Å
631	M	92.9	Very high	91.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-31.5	176.5	-67.4	-62.2	-83.7	0	0	112.5	V627 L633 L634 D635 Q665 L666 I1032 M1036	V627-M631 HydrophobicContact CG1-CG 3.99Å; V627-M631 WeakPolarHBondContact O-CB 3.19Å; V627-M631 WeakPolarHBondContact O-CG 3.25Å; V627-M631 PolarHBondContact O-N 3.21Å; M631-L633 VanDerWaalsContact C-N 3.29Å; M631-L633 PolarHBondContact O-N 2.73Å; M631-L634 PolarHBondContact O-N 3.33Å; M631-L634 HydrophobicContact SD-CD1 4.42Å; M631-D635 PolarHBondContact O-N 2.93Å; M631-Q665 HydrophobicContact CE-CB 3.49Å; M631-Q665 VanDerWaalsContact CE-CB 3.49Å; M631-L666 HydrophobicContact CE-CD2 4Å; M631-L666 HydrophobicContact CE-CG 4.28Å; M631-L666 HydrophobicContact SD-CD2 3.53Å; M631-L666 VanDerWaalsContact SD-CD2 3.53Å; M631-L666 HydrophobicContact SD-CG 4.32Å; M631-I1032 HydrophobicContact CB-CG1 3.97Å; M631-I1032 HydrophobicContact CB-CG2 4.1Å; M631-M1036 HydrophobicContact CB-SD 3.91Å; M631-M1036 HydrophobicContact CE-CE 3.75Å; M631-M1036 HydrophobicContact CE-SD 3.77Å
632	Q	93.1	Very high	92.1	Very high	21 Å²	21	36 Å²	36	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-40.2	174.4	-76.3	170.4	54.6	0	0	112.1	P566 P593 G628 L629 T630 L634 D635 F638 I1032	P566-Q632 HydrophobicContact CB-CG 4.44Å; P566-Q632 HydrophobicContact CG-CG 4.42Å; P593-Q632 HydrophobicContact CB-CB 4.44Å; P593-Q632 HydrophobicContact CG-CB 4.12Å; G628-Q632 WeakPolarHBondContact O-CG 3.41Å; G628-Q632 PolarHBondContact O-N 2.79Å; G628-Q632 PolarHBondContact O-NE2 3.34Å; L629-Q632 WeakPolarHBondContact O-CB 3.41Å; L629-Q632 PolarHBondContact O-N 3.15Å; T630-Q632 VanDerWaalsContact C-N 3.29Å; T630-Q632 PolarHBondContact O-N 3.18Å; Q632-L634 PolarHBondContact O-N 2.89Å; Q632-D635 PolarHBondContact O-N 3.38Å; Q632-F638 WeakPolarHBondContact O-CD2 3.18Å; Q632-F638 WeakPolarHBondContact O-CE2 2.89Å; Q632-I1032 HydrophobicContact CB-CD1 4.23Å; Q632-I1032 HydrophobicContact CB-CG1 4.37Å; Q632-I1032 HydrophobicContact CG-CB 4.05Å; Q632-I1032 HydrophobicContact CG-CD1 3.64Å; Q632-I1032 HydrophobicContact CG-CG1 3.67Å
633	L	95.4	Very high	92.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-6.3	178.8	-61.2	-176.9	0	0	0	113.4	P593 L596 W620 T630 M631 F638 V643 A647	P593-L633 HydrophobicContact CB-CD2 4.21Å; P593-L633 HydrophobicContact CG-CD2 3.91Å; P593-L633 HydrophobicContact CG-CG 4.46Å; L596-L633 HydrophobicContact CD1-CD2 3.91Å; W620-L633 HydrophobicContact CH2-CD1 3.49Å; W620-L633 VanDerWaalsContact CH2-CD1 3.49Å; W620-L633 HydrophobicContact CZ2-CD1 4.03Å; W620-L633 HydrophobicContact CZ3-CD1 4.23Å; T630-L633 PolarHBondContact O-N 2.94Å; M631-L633 VanDerWaalsContact C-N 3.29Å; M631-L633 PolarHBondContact O-N 2.73Å; L633-F638 HydrophobicContact CD2-CD2 4.4Å; L633-F638 HydrophobicContact CD2-CE1 4.36Å; L633-F638 HydrophobicContact CD2-CE2 4.1Å; L633-F638 HydrophobicContact CD2-CZ 4.08Å; L633-V643 HydrophobicContact CB-CG1 4.32Å; L633-V643 HydrophobicContact CD2-CG1 4.19Å; L633-A647 HydrophobicContact CB-CB 3.76Å; L633-A647 HydrophobicContact CD1-CB 4.4Å
634	L	95.3	Very high	92.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-0.1	177.1	-64.4	177.9	0	0	0	113.4	M631 Q632 R644 A647 V648 L651 L666 F672 L680	M631-L634 PolarHBondContact O-N 3.33Å; M631-L634 HydrophobicContact SD-CD1 4.42Å; Q632-L634 PolarHBondContact O-N 2.89Å; L634-R644 HydrophobicContact CD2-CB 4.15Å; L634-R644 PolarHBondContact O-NH1 3.01Å; L634-R644 PolarHBondContact O-NH2 3.26Å; L634-A647 HydrophobicContact CD1-CB 4.44Å; L634-A647 HydrophobicContact CD2-CB 3.87Å; L634-A647 HydrophobicContact CG-CB 3.88Å; L634-V648 HydrophobicContact CD2-CG2 4.12Å; L634-L651 HydrophobicContact CD1-CD1 3.61Å; L634-L666 HydrophobicContact CD1-CD2 4.41Å; L634-F672 WeakPolarHBondContact O-CD2 2.97Å; L634-L680 HydrophobicContact CD1-CD1 4.41Å
635	D	90.1	Very high	93.1	Very high	10 Å²	10	22.7 Å²	22.7	5%	0.053	12%	0.124	C	C	.	.	S	Bend	trans	-75.8	-175.4	176.2	83.4	3.5	0	0	0	112.2	M631 Q632 N637 F638 R644 I1032 M1036 M1039	M631-D635 PolarHBondContact O-N 2.93Å; Q632-D635 PolarHBondContact O-N 3.38Å; D635-N637 VanDerWaalsContact C-N 3.25Å; D635-N637 PolarHBondContact O-N 2.84Å; D635-N637 WeakPolarHBondContact OD1-CA 3.48Å; D635-N637 WeakPolarHBondContact OD1-CB 3.04Å; D635-N637 PolarHBondContact OD1-N 3.09Å; D635-N637 PolarHBondContact OD1-ND2 2.96Å; D635-N637 PolarHBondContact OD2-ND2 3.44Å; D635-F638 WeakPolarHBondContact OD1-CD2 3.26Å; D635-R644 PolarHBondContact O-NH1 2.98Å; D635-I1032 HydrophobicContact CB-CD1 4.19Å; D635-M1036 HydrophobicContact CB-CG 4.04Å; D635-M1039 HydrophobicContact CB-CE 4.17Å
636	C	87.4	Confident	93.4	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.027	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.5	-178.3	73.8	0	0	0	0	115.5	G390 Q391 L505 F638 F672 M1039	G390-C636 CarbonylContact C-O 3.38Å; G390-C636 WeakPolarHBondContact CA-O 3.4Å; Q391-C636 PolarHBondContact N-O 3.48Å; Q391-C636 PolarHBondContact NE2-SG 2.88Å; L505-C636 HydrophobicContact CD1-CB 3.72Å; C636-F638 PolarHBondContact O-N 3.16Å; C636-F672 HydrophobicContact CB-CD1 3.65Å; C636-F672 HydrophobicContact CB-CE1 3.93Å; C636-F672 HydrophobicContact CB-CG 4.17Å; C636-M1039 HydrophobicContact CB-CE 4.14Å; C636-M1039 HydrophobicContact CB-SD 3.8Å; C636-M1039 PolarHBondContact SG-SD 3.2Å
637	N	88.8	Confident	93.6	Very high	71 Å²	71	17.6 Å²	17.6	38%	0.38	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-21.5	-177.7	-64.7	-57.2	0	0	0	111.4	D635	D635-N637 VanDerWaalsContact C-N 3.25Å; D635-N637 PolarHBondContact O-N 2.84Å; D635-N637 WeakPolarHBondContact OD1-CA 3.48Å; D635-N637 WeakPolarHBondContact OD1-CB 3.04Å; D635-N637 PolarHBondContact OD1-N 3.09Å; D635-N637 PolarHBondContact OD1-ND2 2.96Å; D635-N637 PolarHBondContact OD2-ND2 3.44Å
638	F	93.7	Very high	93.9	Very high	11 Å²	11	16.8 Å²	16.8	5%	0.048	9%	0.092	C	C	.	.			trans	-119.2	107.3	-174.8	-53.5	-78.8	0	0	0	110.9	P593 L596 Q632 L633 D635 C636 V643 R644	P593-F638 HydrophobicContact CB-CZ 4.11Å; P593-F638 WeakPolarHBondContact O-CZ 3.28Å; L596-F638 HydrophobicContact CB-CD1 4.16Å; L596-F638 HydrophobicContact CB-CE1 3.61Å; Q632-F638 WeakPolarHBondContact O-CD2 3.18Å; Q632-F638 WeakPolarHBondContact O-CE2 2.89Å; L633-F638 HydrophobicContact CD2-CD2 4.4Å; L633-F638 HydrophobicContact CD2-CE1 4.36Å; L633-F638 HydrophobicContact CD2-CE2 4.1Å; L633-F638 HydrophobicContact CD2-CZ 4.08Å; D635-F638 WeakPolarHBondContact OD1-CD2 3.26Å; C636-F638 PolarHBondContact O-N 3.16Å; F638-V643 HydrophobicContact CB-CG1 4.16Å; F638-V643 HydrophobicContact CD1-CG1 4.16Å; F638-V643 HydrophobicContact CG-CG1 4.26Å; F638-R644 WeakPolarHBondContact O-CD 3.22Å; F638-R644 PolarHBondContact O-NH1 3.07Å
639	S	94.8	Very high	94.1	Very high	13 Å²	13	20.9 Å²	20.9	9%	0.091	11%	0.111	C	C	.	.			trans	-98.5	-9.3	173	-63.7	0	0	0	0	113.8	G390 E641 P674	G390-S639 WeakPolarHBondContact CA-OG 3.38Å; G390-S639 PolarHBondContact N-OG 3.36Å; S639-E641 PolarHBondContact O-N 3.35Å; S639-P674 WeakPolarHBondContact O-CG 3.37Å
640	D	96.4	Very high	94.2	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.112	C	C	.	.			trans	-70	126	-177.4	-179.7	-97.5	0	0	0	111.8	W601 Y611 N642 V643 R644	W601-D640 HydrophobicContact CE3-CB 4.43Å; W601-D640 HydrophobicContact CH2-CB 3.57Å; W601-D640 HydrophobicContact CZ2-CB 4.26Å; W601-D640 HydrophobicContact CZ3-CB 3.67Å; W601-D640 WeakPolarHBondContact CZ3-OD2 3.45Å; Y611-D640 WeakPolarHBondContact CE1-OD2 3.05Å; Y611-D640 PolarHBondContact OH-OD2 3.24Å; D640-N642 VanDerWaalsContact C-N 3.33Å; D640-N642 PolarHBondContact O-N 3.46Å; D640-N642 WeakPolarHBondContact OD1-CB 3.37Å; D640-N642 PolarHBondContact OD1-N 2.73Å; D640-V643 HydrophobicContact CB-CB 4.23Å; D640-V643 HydrophobicContact CB-CG2 4.08Å; D640-V643 PolarHBondContact O-N 3.12Å; D640-V643 PolarHBondContact OD1-N 3.45Å; D640-R644 WeakPolarHBondContact O-CG 3.48Å; D640-R644 PolarHBondContact O-N 2.91Å; D640-R644 VanDerWaalsContact O-N 3.09Å
641	E	94.5	Very high	94.2	Very high	79 Å²	79	21.1 Å²	21.1	37%	0.369	11%	0.111	S	C	.	.	H	α-helix	trans	-60.9	-38.1	-176.5	-178.8	178.3	-141.4	0	0	112.9	K425 S639 R644 A645	K425-E641 IonicContact NZ-OE1 3.86Å; K425-E641 PolarHBondContact NZ-OE1 3.01Å; K425-E641 IonicContact NZ-OE2 3.9Å; K425-E641 PolarHBondContact NZ-OE2 2.96Å; S639-E641 PolarHBondContact O-N 3.35Å; E641-R644 PolarHBondContact O-N 3.35Å; E641-A645 WeakPolarHBondContact O-CB 3.37Å; E641-A645 PolarHBondContact O-N 3.4Å
642	N	93.8	Very high	94.3	Very high	73 Å²	73	24.3 Å²	24.3	39%	0.39	13%	0.127	S	C	.	.	H	α-helix	trans	-70.8	-40.2	-178	-69.7	-24.4	0	0	0	111.5	Y611 D640 M646	Y611-N642 HydrophobicContact CD1-CB 4.34Å; Y611-N642 WeakPolarHBondContact CD1-ND2 3.47Å; Y611-N642 HydrophobicContact CE1-CB 4.05Å; Y611-N642 WeakPolarHBondContact CE1-ND2 3.43Å; D640-N642 VanDerWaalsContact C-N 3.33Å; D640-N642 PolarHBondContact O-N 3.46Å; D640-N642 WeakPolarHBondContact OD1-CB 3.37Å; D640-N642 PolarHBondContact OD1-N 2.73Å; N642-M646 WeakPolarHBondContact O-CB 3.42Å; N642-M646 PolarHBondContact O-N 3.42Å
643	V	95.8	Very high	94.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-60.7	-49.4	174.1	171.4	0	0	0	0	110.6	L596 W601 L614 L633 F638 D640 M646 A647	L596-V643 HydrophobicContact CD1-CB 4.43Å; L596-V643 HydrophobicContact CD1-CG1 3.72Å; L596-V643 HydrophobicContact CD1-CG2 3.85Å; L596-V643 HydrophobicContact CD2-CG2 3.89Å; L596-V643 HydrophobicContact CG-CG2 4.42Å; W601-V643 HydrophobicContact CH2-CG2 4.09Å; W601-V643 HydrophobicContact CZ2-CG2 4.46Å; L614-V643 HydrophobicContact CD1-CG2 3.99Å; L633-V643 HydrophobicContact CB-CG1 4.32Å; L633-V643 HydrophobicContact CD2-CG1 4.19Å; F638-V643 HydrophobicContact CB-CG1 4.16Å; F638-V643 HydrophobicContact CD1-CG1 4.16Å; F638-V643 HydrophobicContact CG-CG1 4.26Å; D640-V643 HydrophobicContact CB-CB 4.23Å; D640-V643 HydrophobicContact CB-CG2 4.08Å; D640-V643 PolarHBondContact O-N 3.12Å; D640-V643 PolarHBondContact OD1-N 3.45Å; V643-M646 WeakPolarHBondContact O-CB 3.31Å; V643-M646 PolarHBondContact O-N 3.35Å; V643-A647 PolarHBondContact O-N 3.23Å
644	R	97.2	Very high	94.3	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.011	15%	0.151	C	C	.	.	H	α-helix	trans	-66.4	-41	-179	-62.7	-177.4	75.9	76.1	7.7	111.9	L634 D635 F638 D640 E641 M646 A647 V648 E673	L634-R644 HydrophobicContact CD2-CB 4.15Å; L634-R644 PolarHBondContact O-NH1 3.01Å; L634-R644 PolarHBondContact O-NH2 3.26Å; D635-R644 PolarHBondContact O-NH1 2.98Å; F638-R644 WeakPolarHBondContact O-CD 3.22Å; F638-R644 PolarHBondContact O-NH1 3.07Å; D640-R644 WeakPolarHBondContact O-CG 3.48Å; D640-R644 PolarHBondContact O-N 2.91Å; D640-R644 VanDerWaalsContact O-N 3.09Å; E641-R644 PolarHBondContact O-N 3.35Å; R644-M646 VanDerWaalsContact C-N 3.31Å; R644-M646 PolarHBondContact O-N 3.48Å; R644-A647 WeakPolarHBondContact O-CB 3.31Å; R644-A647 PolarHBondContact O-N 2.99Å; R644-A647 VanDerWaalsContact O-N 3.16Å; R644-V648 WeakPolarHBondContact O-CG2 3.46Å; R644-V648 PolarHBondContact O-N 3.26Å; R644-E673 IonicContact CZ-OE1 2.75Å; R644-E673 VanDerWaalsContact CZ-OE1 3.26Å; R644-E673 IonicContact NE-OE1 2.73Å; R644-E673 PolarHBondContact NE-OE1 2.81Å; R644-E673 IonicContact NE-OE2 3.93Å; R644-E673 PolarHBondContact NE-OE2 3.22Å; R644-E673 VanDerWaalsContact NE-OE2 3.16Å; R644-E673 IonicContact NH2-OE1 2.79Å; R644-E673 PolarHBondContact NH2-OE1 2.84Å
645	A	95.7	Very high	94.2	Very high	36 Å²	36	29.6 Å²	29.6	30%	0.298	16%	0.16	S	C	.	.	H	α-helix	trans	-62.7	-36.3	176	0	0	0	0	0	112.6	E641 A647 V648 Q649 A679	E641-A645 WeakPolarHBondContact O-CB 3.37Å; E641-A645 PolarHBondContact O-N 3.4Å; A645-A647 VanDerWaalsContact C-N 3.33Å; A645-V648 PolarHBondContact O-N 2.94Å; A645-Q649 PolarHBondContact O-N 2.86Å; A645-A679 HydrophobicContact CB-CB 4.18Å
646	M	94.8	Very high	94.5	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.044	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-39.2	173.8	179.1	-178.7	-56.3	0	0	112.3	Y592 L614 K617 W620 N642 V643 R644 K650	Y592-M646 HydrophobicContact CD1-SD 4.15Å; Y592-M646 HydrophobicContact CE1-SD 3.88Å; L614-M646 HydrophobicContact CB-CE 3.83Å; L614-M646 HydrophobicContact CD1-CE 4.2Å; L614-M646 HydrophobicContact CD2-CE 3.71Å; L614-M646 HydrophobicContact CD2-SD 4.39Å; L614-M646 HydrophobicContact CG-CE 4.1Å; K617-M646 HydrophobicContact CB-CE 4.22Å; K617-M646 HydrophobicContact CD-CE 4Å; W620-M646 HydrophobicContact CD2-CG 4.25Å; W620-M646 HydrophobicContact CD2-SD 3.98Å; W620-M646 HydrophobicContact CG-CG 4.2Å; W620-M646 HydrophobicContact CG-SD 3.94Å; W620-M646 HydrophobicContact CZ2-CG 4.18Å; W620-M646 PolarHBondContact NE1-O 2.92Å; N642-M646 WeakPolarHBondContact O-CB 3.42Å; N642-M646 PolarHBondContact O-N 3.42Å; V643-M646 WeakPolarHBondContact O-CB 3.31Å; V643-M646 PolarHBondContact O-N 3.35Å; R644-M646 VanDerWaalsContact C-N 3.31Å; R644-M646 PolarHBondContact O-N 3.48Å; M646-K650 PolarHBondContact O-N 3.33Å
647	A	96.3	Very high	94.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-46.8	174.8	0	0	0	0	0	111.1	T630 L633 L634 V643 R644 A645 Q649 K650 L651	T630-A647 HydrophobicContact CG2-CB 3.88Å; T630-A647 WeakPolarHBondContact CG2-O 3.44Å; L633-A647 HydrophobicContact CB-CB 3.76Å; L633-A647 HydrophobicContact CD1-CB 4.4Å; L634-A647 HydrophobicContact CD1-CB 4.44Å; L634-A647 HydrophobicContact CD2-CB 3.87Å; L634-A647 HydrophobicContact CG-CB 3.88Å; V643-A647 PolarHBondContact O-N 3.23Å; R644-A647 WeakPolarHBondContact O-CB 3.31Å; R644-A647 PolarHBondContact O-N 2.99Å; R644-A647 VanDerWaalsContact O-N 3.16Å; A645-A647 VanDerWaalsContact C-N 3.33Å; A647-Q649 VanDerWaalsContact C-N 3.28Å; A647-Q649 PolarHBondContact O-N 2.97Å; A647-K650 WeakPolarHBondContact O-CB 3.35Å; A647-K650 PolarHBondContact O-N 3.44Å; A647-L651 PolarHBondContact O-N 3.06Å
648	V	97.5	Very high	94.8	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.024	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-38.5	176.8	176.6	0	0	0	0	111.8	L634 R644 A645 K650 L651 E652 A679 L680 F683	L634-V648 HydrophobicContact CD2-CG2 4.12Å; R644-V648 WeakPolarHBondContact O-CG2 3.46Å; R644-V648 PolarHBondContact O-N 3.26Å; A645-V648 PolarHBondContact O-N 2.94Å; V648-K650 PolarHBondContact O-N 2.83Å; V648-L651 WeakPolarHBondContact O-CA 3.45Å; V648-L651 WeakPolarHBondContact O-CB 3.41Å; V648-L651 PolarHBondContact O-N 2.95Å; V648-E652 PolarHBondContact O-N 3.11Å; V648-E652 VanDerWaalsContact O-N 3.09Å; V648-A679 HydrophobicContact CB-CB 4.03Å; V648-A679 HydrophobicContact CG1-CB 4.12Å; V648-A679 HydrophobicContact CG2-CB 3.99Å; V648-L680 HydrophobicContact CG2-CB 3.91Å; V648-L680 HydrophobicContact CG2-CD1 4.41Å; V648-F683 HydrophobicContact CG1-CB 3.69Å; V648-F683 HydrophobicContact CG1-CD2 4.49Å; V648-F683 HydrophobicContact CG1-CG 4.19Å
649	Q	95	Very high	94.9	Very high	87 Å²	87	29.3 Å²	29.3	41%	0.407	16%	0.159	S	C	.	.	H	α-helix	trans	-57.4	-33.1	175.3	-172.6	-169	-19	0	0	112.3	D621 A645 A647 E652	D621-Q649 PolarHBondContact OD1-NE2 3.42Å; A645-Q649 PolarHBondContact O-N 2.86Å; A647-Q649 VanDerWaalsContact C-N 3.28Å; A647-Q649 PolarHBondContact O-N 2.97Å; Q649-E652 WeakPolarHBondContact O-CB 3.07Å
650	K	94.4	Very high	94.9	Very high	18 Å²	18	30.2 Å²	30.2	8%	0.078	16%	0.163	C	C	.	.	H	α-helix	trans	-73.4	-37.1	172.8	-74.6	-64.3	-170.2	176.5	0	112.5	W620 D621 S623 L625 T630 M646 A647 V648 E652 S653	W620-K650 HydrophobicContact CZ2-CG 3.7Å; W620-K650 VanDerWaalsContact NE1-CG 3.26Å; W620-K650 WeakPolarHBondContact O-CE 3.07Å; W620-K650 PolarHBondContact O-NZ 3.21Å; D621-K650 VanDerWaalsContact C-NZ 3.34Å; D621-K650 PolarHBondContact O-NZ 3.18Å; S623-K650 PolarHBondContact O-NZ 2.87Å; S623-K650 PolarHBondContact OG-NZ 2.6Å; L625-K650 HydrophobicContact CD1-CB 3.9Å; T630-K650 HydrophobicContact CG2-CB 4.11Å; M646-K650 PolarHBondContact O-N 3.33Å; A647-K650 WeakPolarHBondContact O-CB 3.35Å; A647-K650 PolarHBondContact O-N 3.44Å; V648-K650 PolarHBondContact O-N 2.83Å; K650-E652 PolarHBondContact O-N 3.05Å; K650-S653 PolarHBondContact O-N 3.41Å; K650-S653 VanDerWaalsContact O-N 3.15Å; K650-S653 PolarHBondContact O-OG 2.9Å
651	L	96.2	Very high	94.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.7	-23.9	175	-59.8	179.9	0	0	0	113.1	T630 L634 A647 V648 S653 L654 L666 L680 F683	T630-L651 HydrophobicContact CG2-CD1 4.47Å; T630-L651 HydrophobicContact CG2-CD2 3.55Å; T630-L651 HydrophobicContact CG2-CG 3.7Å; L634-L651 HydrophobicContact CD1-CD1 3.61Å; A647-L651 PolarHBondContact O-N 3.06Å; V648-L651 WeakPolarHBondContact O-CA 3.45Å; V648-L651 WeakPolarHBondContact O-CB 3.41Å; V648-L651 PolarHBondContact O-N 2.95Å; L651-S653 PolarHBondContact O-N 2.65Å; L651-S653 VanDerWaalsContact O-N 3.14Å; L651-L654 HydrophobicContact CB-CD1 4.19Å; L651-L654 HydrophobicContact CD2-CD1 3.61Å; L651-L654 HydrophobicContact CG-CD1 4.48Å; L651-L654 VanDerWaalsContact O-CB 3.31Å; L651-L654 WeakPolarHBondContact O-CB 3.32Å; L651-L654 PolarHBondContact O-N 2.87Å; L651-L666 HydrophobicContact CD1-CD2 3.55Å; L651-L680 HydrophobicContact CD1-CD1 4.48Å; L651-F683 HydrophobicContact CB-CE1 4.3Å; L651-F683 HydrophobicContact CB-CE2 4.08Å; L651-F683 HydrophobicContact CB-CZ 3.91Å; L651-F683 WeakPolarHBondContact O-CE2 3.23Å
652	E	94.7	Very high	94.7	Very high	69 Å²	69	29.1 Å²	29.1	32%	0.322	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.7	173.9	-64	-65.1	173.4	0	0	113.2	V648 Q649 K650 F683 R686	V648-E652 PolarHBondContact O-N 3.11Å; V648-E652 VanDerWaalsContact O-N 3.09Å; Q649-E652 WeakPolarHBondContact O-CB 3.07Å; K650-E652 PolarHBondContact O-N 3.05Å; E652-F683 WeakPolarHBondContact OE1-CD2 3.45Å; E652-R686 IonicContact OE1-CZ 2.77Å; E652-R686 IonicContact OE1-NE 3.76Å; E652-R686 IonicContact OE1-NH2 3.14Å; E652-R686 PolarHBondContact OE1-NH2 3.16Å
653	S	93.9	Very high	94.8	Very high	83 Å²	83	25.7 Å²	25.7	58%	0.58	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-3.5	176.1	76.8	0	0	0	0	114.3	K650 L651	K650-S653 PolarHBondContact O-N 3.41Å; K650-S653 VanDerWaalsContact O-N 3.15Å; K650-S653 PolarHBondContact O-OG 2.9Å; L651-S653 PolarHBondContact O-N 2.65Å; L651-S653 VanDerWaalsContact O-N 3.14Å
654	L	94.3	Very high	94.6	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.042	14%	0.141	C	C	.	.			trans	-67.1	133.8	175.6	-77	170.5	0	0	0	110.7	L625 V627 L651 D658 V659 R687	L625-L654 HydrophobicContact CD2-CD2 3.37Å; L625-L654 HydrophobicContact CD2-CG 3.63Å; V627-L654 HydrophobicContact CG2-CD2 3.93Å; L651-L654 HydrophobicContact CB-CD1 4.19Å; L651-L654 HydrophobicContact CD2-CD1 3.61Å; L651-L654 HydrophobicContact CG-CD1 4.48Å; L651-L654 VanDerWaalsContact O-CB 3.31Å; L651-L654 WeakPolarHBondContact O-CB 3.32Å; L651-L654 PolarHBondContact O-N 2.87Å; L654-D658 HydrophobicContact CD2-CB 3.7Å; L654-V659 HydrophobicContact CB-CG2 3.7Å; L654-V659 HydrophobicContact CD1-CG2 4.14Å; L654-R687 VanDerWaalsContact O-CZ 3.26Å; L654-R687 PolarHBondContact O-NH1 2.7Å; L654-R687 PolarHBondContact O-NH2 3.49Å
655	E	93.9	Very high	94.3	Very high	41 Å²	41	26 Å²	26	19%	0.192	14%	0.141	C	C	.	.			trans	-67.2	161.4	167.8	64.9	176.9	-164.6	0	0	111.5	T203 S204 K205 D657 D658 V659 R687	T203-E655 PolarHBondContact OG1-OE1 3.46Å; S204-E655 VanDerWaalsContact CB-OE2 3.26Å; S204-E655 WeakPolarHBondContact CB-OE2 3.5Å; S204-E655 PolarHBondContact N-OE2 3.42Å; S204-E655 PolarHBondContact OG-OE2 2.94Å; K205-E655 WeakPolarHBondContact CE-OE1 3.39Å; K205-E655 IonicContact NZ-OE1 2.72Å; E655-D657 VanDerWaalsContact C-N 3.26Å; E655-D657 HydrophobicContact CG-CB 4.29Å; E655-D657 PolarHBondContact O-N 3.02Å; E655-D658 HydrophobicContact CG-CB 4.12Å; E655-D658 PolarHBondContact O-N 2.64Å; E655-V659 PolarHBondContact O-N 3.13Å; E655-R687 PolarHBondContact O-NH2 3.27Å
656	D	94.5	Very high	94.4	Very high	49 Å²	49	24.4 Å²	24.4	26%	0.262	13%	0.127	S	C	.	.	H	α-helix	trans	-61.2	-36.2	-177.4	-77.2	-14	0	0	0	112.3	V659 L660 R687 N691 I694	D656-V659 PolarHBondContact O-N 3.37Å; D656-L660 WeakPolarHBondContact O-CG 3.36Å; D656-L660 PolarHBondContact O-N 3.45Å; D656-R687 IonicContact OD1-CZ 2.81Å; D656-R687 IonicContact OD1-NE 3.75Å; D656-R687 PolarHBondContact OD1-NE 3.36Å; D656-R687 IonicContact OD1-NH2 2.65Å; D656-R687 PolarHBondContact OD1-NH2 3.41Å; D656-N691 PolarHBondContact OD2-ND2 3.27Å; D656-I694 HydrophobicContact CB-CD1 3.87Å; D656-I694 WeakPolarHBondContact OD1-CD1 3.26Å
657	D	91.4	Very high	94.4	Very high	7 Å²	7	24 Å²	24	4%	0.037	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-48.3	175.6	-177.3	56.9	0	0	0	112	K205 H291 E655 V659 L660 H661	K205-D657 IonicContact NZ-OD2 3.16Å; K205-D657 PolarHBondContact NZ-OD2 3.3Å; H291-D657 IonicContact CE1-OD1 3.59Å; H291-D657 PolarHBondContact CE1-OD1 3.07Å; H291-D657 IonicContact CE1-OD2 2.73Å; H291-D657 VanDerWaalsContact NE2-CG 3.32Å; H291-D657 IonicContact NE2-OD1 3.61Å; H291-D657 PolarHBondContact NE2-OD1 2.85Å; H291-D657 VanDerWaalsContact NE2-OD1 3.15Å; H291-D657 IonicContact NE2-OD2 2.73Å; E655-D657 VanDerWaalsContact C-N 3.26Å; E655-D657 HydrophobicContact CG-CB 4.29Å; E655-D657 PolarHBondContact O-N 3.02Å; D657-V659 VanDerWaalsContact C-N 3.34Å; D657-V659 PolarHBondContact O-N 3.34Å; D657-L660 WeakPolarHBondContact O-CB 3.47Å; D657-L660 PolarHBondContact O-N 2.85Å; D657-H661 PolarHBondContact O-N 3.43Å; D657-H661 PolarHBondContact O-ND1 3.4Å; D657-H661 IonicContact OD1-CE1 3.63Å; D657-H661 PolarHBondContact OD1-CE1 3.13Å; D657-H661 IonicContact OD1-ND1 3.97Å; D657-H661 IonicContact OD2-CE1 3.31Å; D657-H661 PolarHBondContact OD2-CE1 2.64Å; D657-H661 VanDerWaalsContact OD2-CE1 3.27Å; D657-H661 IonicContact OD2-ND1 3.29Å
658	D	92.8	Very high	94.2	Very high	34 Å²	34	24.4 Å²	24.4	18%	0.182	13%	0.127	C	C	.	.	H	α-helix	trans	-67.3	-34.7	177.4	-70.1	-28.3	0	0	0	112.1	K205 L654 E655 L660 H661 Y662	K205-D658 WeakPolarHBondContact CE-OD1 3.38Å; K205-D658 IonicContact NZ-OD1 3.93Å; K205-D658 PolarHBondContact NZ-OD1 2.98Å; L654-D658 HydrophobicContact CD2-CB 3.7Å; E655-D658 HydrophobicContact CG-CB 4.12Å; E655-D658 PolarHBondContact O-N 2.64Å; D658-L660 VanDerWaalsContact C-N 3.3Å; D658-L660 PolarHBondContact O-N 3.28Å; D658-H661 WeakPolarHBondContact O-CB 3.36Å; D658-H661 PolarHBondContact O-N 2.96Å; D658-Y662 HydrophobicContact CB-CE2 4.48Å; D658-Y662 WeakPolarHBondContact O-CD2 3.45Å; D658-Y662 PolarHBondContact O-N 2.88Å
659	V	96.1	Very high	94	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.9	-42.2	172.5	171.2	0	0	0	0	111	L654 E655 D656 D657 H661 Y662 L663 F683 R687 I694	L654-V659 HydrophobicContact CB-CG2 3.7Å; L654-V659 HydrophobicContact CD1-CG2 4.14Å; E655-V659 PolarHBondContact O-N 3.13Å; D656-V659 PolarHBondContact O-N 3.37Å; D657-V659 VanDerWaalsContact C-N 3.34Å; D657-V659 PolarHBondContact O-N 3.34Å; V659-H661 VanDerWaalsContact C-N 3.29Å; V659-H661 PolarHBondContact O-N 2.78Å; V659-Y662 CarbonylContact O-C 3.24Å; V659-Y662 PolarHBondContact O-N 2.85Å; V659-L663 HydrophobicContact CG1-CD1 4.4Å; V659-L663 WeakPolarHBondContact O-CA 3.29Å; V659-L663 VanDerWaalsContact O-CB 3.27Å; V659-L663 WeakPolarHBondContact O-CB 3.37Å; V659-L663 PolarHBondContact O-N 3.26Å; V659-F683 HydrophobicContact CG2-CZ 4.01Å; V659-R687 VanDerWaalsContact CG2-CZ 3.4Å; V659-R687 VanDerWaalsContact CG2-NH2 3.32Å; V659-I694 HydrophobicContact CB-CD1 4.05Å; V659-I694 HydrophobicContact CG1-CD1 3.88Å; V659-I694 HydrophobicContact CG1-CG1 4.45Å; V659-I694 HydrophobicContact CG1-CG2 4.24Å
660	L	93.8	Very high	94.1	Very high	33 Å²	33	20.1 Å²	20.1	17%	0.173	11%	0.107	C	C	.	.	H	α-helix	trans	-59.4	-39.5	176.2	-72	168.6	0	0	0	112.1	D656 D657 D658 Y662 R693 I694 F697	D656-L660 WeakPolarHBondContact O-CG 3.36Å; D656-L660 PolarHBondContact O-N 3.45Å; D657-L660 WeakPolarHBondContact O-CB 3.47Å; D657-L660 PolarHBondContact O-N 2.85Å; D658-L660 VanDerWaalsContact C-N 3.3Å; D658-L660 PolarHBondContact O-N 3.28Å; L660-Y662 VanDerWaalsContact C-N 3.31Å; L660-Y662 PolarHBondContact O-N 3.34Å; L660-R693 HydrophobicContact CD1-CG 4.08Å; L660-R693 HydrophobicContact CD2-CG 4.28Å; L660-I694 HydrophobicContact CD2-CB 4.41Å; L660-I694 HydrophobicContact CD2-CG1 3.78Å; L660-I694 HydrophobicContact CG-CG1 3.92Å; L660-F697 HydrophobicContact CD2-CD2 3.92Å
661	H	91.6	Very high	94	Very high	36 Å²	36	19.4 Å²	19.4	17%	0.167	10%	0.104	C	C	.	.	H	α-helix	trans	-61.7	-35.5	177.6	-71	103.6	0	0	0	113.1	D657 D658 V659 Q849 I853	D657-H661 PolarHBondContact O-N 3.43Å; D657-H661 PolarHBondContact O-ND1 3.4Å; D657-H661 IonicContact OD1-CE1 3.63Å; D657-H661 PolarHBondContact OD1-CE1 3.13Å; D657-H661 IonicContact OD1-ND1 3.97Å; D657-H661 IonicContact OD2-CE1 3.31Å; D657-H661 PolarHBondContact OD2-CE1 2.64Å; D657-H661 VanDerWaalsContact OD2-CE1 3.27Å; D657-H661 IonicContact OD2-ND1 3.29Å; D658-H661 WeakPolarHBondContact O-CB 3.36Å; D658-H661 PolarHBondContact O-N 2.96Å; V659-H661 VanDerWaalsContact C-N 3.29Å; V659-H661 PolarHBondContact O-N 2.78Å; H661-Q849 WeakPolarHBondContact O-CG 3.24Å; H661-Q849 PolarHBondContact O-NE2 2.8Å; H661-I853 HydrophobicContact CB-CG1 4.42Å
662	Y	94.2	Very high	93.9	Very high	20 Å²	20	19.9 Å²	19.9	8%	0.078	11%	0.105	C	C	.	.	H	α-helix	trans	-107.4	2.1	-176.6	-54.6	-65.7	0	0	0	114.4	V627 D658 V659 L660 L664 Q665 L666 I853 L1029 L1033	V627-Y662 HydrophobicContact CB-CE2 4.3Å; V627-Y662 HydrophobicContact CG1-CD1 4.2Å; V627-Y662 HydrophobicContact CG1-CD2 3.87Å; V627-Y662 HydrophobicContact CG1-CE1 4.07Å; V627-Y662 HydrophobicContact CG1-CE2 3.75Å; V627-Y662 HydrophobicContact CG1-CG 4.1Å; V627-Y662 HydrophobicContact CG2-CE2 4.01Å; D658-Y662 HydrophobicContact CB-CE2 4.48Å; D658-Y662 WeakPolarHBondContact O-CD2 3.45Å; D658-Y662 PolarHBondContact O-N 2.88Å; V659-Y662 CarbonylContact O-C 3.24Å; V659-Y662 PolarHBondContact O-N 2.85Å; L660-Y662 VanDerWaalsContact C-N 3.31Å; L660-Y662 PolarHBondContact O-N 3.34Å; Y662-L664 VanDerWaalsContact C-N 3.32Å; Y662-L664 PolarHBondContact O-N 2.88Å; Y662-Q665 PolarHBondContact O-N 2.67Å; Y662-Q665 PolarHBondContact O-OE1 2.9Å; Y662-L666 WeakPolarHBondContact O-CG 3.45Å; Y662-L666 PolarHBondContact O-N 3.41Å; Y662-I853 HydrophobicContact CD1-CD1 3.88Å; Y662-I853 HydrophobicContact CE1-CD1 3.8Å; Y662-I853 HydrophobicContact CE1-CG1 4.11Å; Y662-I853 HydrophobicContact CE1-CG2 4.32Å; Y662-L1029 HydrophobicContact CE1-CD1 4.15Å; Y662-L1029 HydrophobicContact CE1-CD2 4.45Å; Y662-L1033 HydrophobicContact CD1-CD2 4.05Å; Y662-L1033 HydrophobicContact CE1-CD1 4.45Å; Y662-L1033 HydrophobicContact CE1-CD2 4.44Å
663	L	96.1	Very high	93.9	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-57.2	-41.8	-170.1	-177.3	60.8	0	0	0	112.6	V659 Q665 L666 V667 L684 I694 F697 L698 F701	V659-L663 HydrophobicContact CG1-CD1 4.4Å; V659-L663 WeakPolarHBondContact O-CA 3.29Å; V659-L663 VanDerWaalsContact O-CB 3.27Å; V659-L663 WeakPolarHBondContact O-CB 3.37Å; V659-L663 PolarHBondContact O-N 3.26Å; L663-Q665 PolarHBondContact O-N 3.31Å; L663-L666 PolarHBondContact O-N 2.88Å; L663-V667 HydrophobicContact CD1-CG2 4.39Å; L663-V667 WeakPolarHBondContact O-CG2 3.43Å; L663-V667 PolarHBondContact O-N 3.15Å; L663-L684 HydrophobicContact CD1-CD2 3.78Å; L663-I694 HydrophobicContact CD1-CG2 4.31Å; L663-I694 HydrophobicContact CD2-CG2 4.26Å; L663-F697 HydrophobicContact CD2-CB 3.68Å; L663-L698 HydrophobicContact CD1-CD1 4.5Å; L663-F701 HydrophobicContact CB-CD2 4.49Å; L663-F701 HydrophobicContact CB-CE2 4.03Å; L663-F701 HydrophobicContact CD2-CD2 4.12Å; L663-F701 HydrophobicContact CD2-CE2 3.9Å; L663-F701 HydrophobicContact CG-CD2 3.9Å; L663-F701 HydrophobicContact CG-CE2 3.85Å
664	L	92.9	Very high	94	Very high	12 Å²	12	14 Å²	14	6%	0.063	7%	0.07	C	C	.	.	H	α-helix	trans	-61.7	-46.1	178.2	-173.1	62.5	0	0	0	111	Y662 L666 V667 Q668 F701 M845 L846	Y662-L664 VanDerWaalsContact C-N 3.32Å; Y662-L664 PolarHBondContact O-N 2.88Å; L664-L666 VanDerWaalsContact C-N 3.32Å; L664-L666 PolarHBondContact O-N 3.46Å; L664-V667 PolarHBondContact O-N 2.88Å; L664-Q668 VanDerWaalsContact O-CG 3.24Å; L664-Q668 WeakPolarHBondContact O-CG 3.48Å; L664-Q668 PolarHBondContact O-N 2.83Å; L664-F701 HydrophobicContact CB-CD2 4.28Å; L664-F701 HydrophobicContact CB-CE2 3.97Å; L664-F701 HydrophobicContact CB-CZ 4.43Å; L664-F701 HydrophobicContact CD1-CB 4.46Å; L664-F701 HydrophobicContact CD1-CD1 4.14Å; L664-F701 HydrophobicContact CD1-CD2 4.04Å; L664-F701 HydrophobicContact CD1-CE1 4.41Å; L664-F701 HydrophobicContact CD1-CE2 4.3Å; L664-F701 HydrophobicContact CD1-CG 3.96Å; L664-F701 HydrophobicContact CD1-CZ 4.48Å; L664-M845 HydrophobicContact CD1-CE 4.38Å; L664-M845 HydrophobicContact CD2-CB 4.49Å; L664-L846 HydrophobicContact CD2-CB 4.45Å
665	Q	91.1	Very high	94	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.9	-37.1	-179.9	-69.5	75.5	17.6	0	0	111.8	M631 Y662 L663 Q668 A669 L846 Q849 L1033 M1037	M631-Q665 HydrophobicContact CE-CB 3.49Å; M631-Q665 VanDerWaalsContact CE-CB 3.49Å; Y662-Q665 PolarHBondContact O-N 2.67Å; Y662-Q665 PolarHBondContact O-OE1 2.9Å; L663-Q665 PolarHBondContact O-N 3.31Å; Q665-Q668 PolarHBondContact O-N 2.79Å; Q665-A669 WeakPolarHBondContact O-CB 3.49Å; Q665-A669 PolarHBondContact O-N 3.13Å; Q665-L846 VanDerWaalsContact NE2-CD1 3.27Å; Q665-Q849 VanDerWaalsContact OE1-CD 3.24Å; Q665-L1033 HydrophobicContact CB-CD2 4.25Å; Q665-L1033 HydrophobicContact CG-CD2 3.67Å; Q665-M1037 HydrophobicContact CB-CE 4.37Å; Q665-M1037 HydrophobicContact CG-CE 4Å; Q665-M1037 HydrophobicContact CG-CG 4.29Å; Q665-M1037 HydrophobicContact CG-SD 4.17Å
666	L	96	Very high	94.1	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-66	-41.2	175.5	-66.9	167.7	0	0	0	111.8	M631 L634 L651 Y662 L663 L664 Q668 A669 V670 L680 F683 L684	M631-L666 HydrophobicContact CE-CD2 4Å; M631-L666 HydrophobicContact CE-CG 4.28Å; M631-L666 HydrophobicContact SD-CD2 3.53Å; M631-L666 VanDerWaalsContact SD-CD2 3.53Å; M631-L666 HydrophobicContact SD-CG 4.32Å; L634-L666 HydrophobicContact CD1-CD2 4.41Å; L651-L666 HydrophobicContact CD1-CD2 3.55Å; Y662-L666 WeakPolarHBondContact O-CG 3.45Å; Y662-L666 PolarHBondContact O-N 3.41Å; L663-L666 PolarHBondContact O-N 2.88Å; L664-L666 VanDerWaalsContact C-N 3.32Å; L664-L666 PolarHBondContact O-N 3.46Å; L666-Q668 VanDerWaalsContact C-N 3.33Å; L666-Q668 PolarHBondContact O-N 2.93Å; L666-A669 WeakPolarHBondContact O-CB 3.41Å; L666-A669 PolarHBondContact O-N 3.3Å; L666-V670 PolarHBondContact O-N 2.91Å; L666-L680 HydrophobicContact CD2-CD1 4.09Å; L666-F683 HydrophobicContact CD1-CE1 4.13Å; L666-L684 HydrophobicContact CB-CD2 3.92Å
667	V	95.5	Very high	94.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.3	-43.9	173.2	169.3	0	0	0	0	110.7	L663 L664 A669 V670 L684 L698 F701 L702 F716	L663-V667 HydrophobicContact CD1-CG2 4.39Å; L663-V667 WeakPolarHBondContact O-CG2 3.43Å; L663-V667 PolarHBondContact O-N 3.15Å; L664-V667 PolarHBondContact O-N 2.88Å; V667-A669 VanDerWaalsContact C-N 3.33Å; V667-A669 PolarHBondContact O-N 3.09Å; V667-V670 VanDerWaalsContact O-CB 3.29Å; V667-V670 WeakPolarHBondContact O-CB 3.41Å; V667-V670 PolarHBondContact O-N 2.9Å; V667-L684 HydrophobicContact CG2-CD1 4.25Å; V667-L698 HydrophobicContact CG2-CD1 3.7Å; V667-F701 HydrophobicContact CB-CB 4.5Å; V667-F701 HydrophobicContact CG1-CB 4.19Å; V667-F701 HydrophobicContact CG2-CB 4.22Å; V667-F701 HydrophobicContact CG2-CD2 4.38Å; V667-L702 HydrophobicContact CG1-CD2 4.07Å; V667-F716 HydrophobicContact CG1-CE1 4.16Å; V667-F716 HydrophobicContact CG1-CZ 4.48Å
668	Q	91.9	Very high	94.5	Very high	10 Å²	10	11.5 Å²	11.5	5%	0.047	6%	0.057	C	C	.	.	H	α-helix	trans	-67.5	-33	177.8	-66.8	-60.2	-29.3	0	0	112.6	L664 Q665 L666 V670 K671 E705 M1037 T1040	L664-Q668 VanDerWaalsContact O-CG 3.24Å; L664-Q668 WeakPolarHBondContact O-CG 3.48Å; L664-Q668 PolarHBondContact O-N 2.83Å; Q665-Q668 PolarHBondContact O-N 2.79Å; L666-Q668 VanDerWaalsContact C-N 3.33Å; L666-Q668 PolarHBondContact O-N 2.93Å; Q668-V670 PolarHBondContact O-N 2.7Å; Q668-K671 VanDerWaalsContact O-CB 3.23Å; Q668-K671 WeakPolarHBondContact O-CB 3.23Å; Q668-K671 WeakPolarHBondContact O-CG 3.13Å; Q668-K671 PolarHBondContact O-N 3.11Å; Q668-E705 PolarHBondContact NE2-OE1 3.26Å; Q668-M1037 HydrophobicContact CB-CE 3.33Å; Q668-M1037 HydrophobicContact CG-CE 3.48Å; Q668-M1037 VanDerWaalsContact CG-CE 3.48Å; Q668-M1037 HydrophobicContact CG-SD 4.26Å; Q668-T1040 HydrophobicContact CB-CG2 3.68Å; Q668-T1040 HydrophobicContact CG-CG2 4.28Å; Q668-T1040 VanDerWaalsContact OE1-CB 3.3Å
669	A	93.9	Very high	94.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.3	-22.5	176.5	0	0	0	0	0	113.3	Q665 L666 V667 K671 F672 L680 M1036	Q665-A669 WeakPolarHBondContact O-CB 3.49Å; Q665-A669 PolarHBondContact O-N 3.13Å; L666-A669 WeakPolarHBondContact O-CB 3.41Å; L666-A669 PolarHBondContact O-N 3.3Å; V667-A669 VanDerWaalsContact C-N 3.33Å; V667-A669 PolarHBondContact O-N 3.09Å; A669-K671 PolarHBondContact O-N 2.83Å; A669-F672 HydrophobicContact CB-CD2 4.42Å; A669-F672 WeakPolarHBondContact O-CB 3.3Å; A669-F672 PolarHBondContact O-N 2.85Å; A669-L680 HydrophobicContact CB-CD2 3.73Å; A669-M1036 HydrophobicContact CB-CE 3.36Å
670	V	96.1	Very high	94.8	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.006	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-60.4	-24.6	172.1	178.1	0	0	0	0	111.6	L666 V667 Q668 F672 E673 L680 L684 R715 F716 I719	L666-V670 PolarHBondContact O-N 2.91Å; V667-V670 VanDerWaalsContact O-CB 3.29Å; V667-V670 WeakPolarHBondContact O-CB 3.41Å; V667-V670 PolarHBondContact O-N 2.9Å; Q668-V670 PolarHBondContact O-N 2.7Å; V670-F672 PolarHBondContact O-N 2.79Å; V670-E673 WeakPolarHBondContact O-CB 3.05Å; V670-E673 PolarHBondContact O-N 2.8Å; V670-L680 HydrophobicContact CG2-CD2 3.95Å; V670-L680 HydrophobicContact CG2-CG 4.12Å; V670-L684 HydrophobicContact CG2-CD1 3.64Å; V670-R715 HydrophobicContact CG1-CG 4.25Å; V670-R715 PolarHBondContact O-NH1 2.83Å; V670-F716 HydrophobicContact CB-CE1 3.96Å; V670-F716 HydrophobicContact CG1-CD1 4.49Å; V670-F716 HydrophobicContact CG1-CE1 4Å; V670-I719 HydrophobicContact CG1-CD1 3.93Å
671	K	93.3	Very high	95	Very high	3 Å²	3	10.1 Å²	10.1	1%	0.013	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-64.8	-23.3	173.9	-64.4	-179.4	173.1	168.9	0	112.9	A502 Q668 A669 E705 Y712 F716 T1040	A502-K671 HydrophobicContact CB-CB 4.2Å; A502-K671 HydrophobicContact CB-CD 4.41Å; Q668-K671 VanDerWaalsContact O-CB 3.23Å; Q668-K671 WeakPolarHBondContact O-CB 3.23Å; Q668-K671 WeakPolarHBondContact O-CG 3.13Å; Q668-K671 PolarHBondContact O-N 3.11Å; A669-K671 PolarHBondContact O-N 2.83Å; K671-E705 VanDerWaalsContact CE-OE2 3.3Å; K671-E705 WeakPolarHBondContact CE-OE2 3.5Å; K671-E705 IonicContact NZ-OE1 2.82Å; K671-E705 IonicContact NZ-OE2 3.26Å; K671-E705 PolarHBondContact NZ-OE2 3.36Å; K671-Y712 HydrophobicContact CB-CD1 4.23Å; K671-Y712 HydrophobicContact CB-CD2 4.34Å; K671-Y712 HydrophobicContact CB-CE1 3.76Å; K671-Y712 HydrophobicContact CB-CE2 3.89Å; K671-Y712 HydrophobicContact CB-CG 4.48Å; K671-Y712 HydrophobicContact CD-CD2 3.87Å; K671-Y712 HydrophobicContact CD-CE2 3.88Å; K671-Y712 HydrophobicContact CD-CG 4.42Å; K671-Y712 HydrophobicContact CG-CD1 4.04Å; K671-Y712 HydrophobicContact CG-CD2 3.78Å; K671-Y712 HydrophobicContact CG-CE1 4.07Å; K671-Y712 HydrophobicContact CG-CE2 3.81Å; K671-Y712 HydrophobicContact CG-CG 3.88Å; K671-Y712 VanDerWaalsContact O-CE1 3.3Å; K671-Y712 WeakPolarHBondContact O-CE1 3.29Å; K671-Y712 PolarHBondContact O-OH 3.47Å; K671-F716 HydrophobicContact CG-CE2 4.27Å; K671-F716 HydrophobicContact CG-CZ 3.88Å; K671-T1040 HydrophobicContact CD-CG2 4.23Å; K671-T1040 PolarHBondContact NZ-O 3.05Å; K671-T1040 VanDerWaalsContact NZ-O 3.15Å
672	F	93.3	Very high	95.4	Very high	9 Å²	9	10 Å²	10	4%	0.039	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-89.7	-7.7	177.3	-51.1	-49.2	0	0	0	113.6	A502 L505 L634 C636 A669 V670 M1036 M1039 T1040	A502-F672 HydrophobicContact CB-CD1 4.34Å; A502-F672 HydrophobicContact CB-CE1 3.65Å; A502-F672 HydrophobicContact CB-CZ 4.41Å; L505-F672 HydrophobicContact CD1-CD1 4.24Å; L634-F672 WeakPolarHBondContact O-CD2 2.97Å; C636-F672 HydrophobicContact CB-CD1 3.65Å; C636-F672 HydrophobicContact CB-CE1 3.93Å; C636-F672 HydrophobicContact CB-CG 4.17Å; A669-F672 HydrophobicContact CB-CD2 4.42Å; A669-F672 WeakPolarHBondContact O-CB 3.3Å; A669-F672 PolarHBondContact O-N 2.85Å; V670-F672 PolarHBondContact O-N 2.79Å; F672-M1036 HydrophobicContact CE2-CB 4.42Å; F672-M1036 HydrophobicContact CE2-CE 4.37Å; F672-M1036 HydrophobicContact CE2-CG 4.47Å; F672-M1039 HydrophobicContact CE1-CB 3.73Å; F672-M1039 HydrophobicContact CE1-CE 4.24Å; F672-M1039 HydrophobicContact CE1-SD 4.38Å; F672-M1039 HydrophobicContact CE2-CE 4.19Å; F672-M1039 HydrophobicContact CZ-CB 3.6Å; F672-M1039 HydrophobicContact CZ-CE 3.76Å; F672-M1039 HydrophobicContact CZ-SD 4.41Å; F672-T1040 HydrophobicContact CZ-CG2 4.07Å
673	E	95.6	Very high	95.6	Very high	15 Å²	15	9.1 Å²	9.1	7%	0.07	5%	0.05	C	C	.	.			trans	-66.8	130.2	174.8	-65.8	-64.4	154.8	0	0	109.9	R644 V670 Y675 S678 R715	R644-E673 IonicContact CZ-OE1 2.75Å; R644-E673 VanDerWaalsContact CZ-OE1 3.26Å; R644-E673 IonicContact NE-OE1 2.73Å; R644-E673 PolarHBondContact NE-OE1 2.81Å; R644-E673 IonicContact NE-OE2 3.93Å; R644-E673 PolarHBondContact NE-OE2 3.22Å; R644-E673 VanDerWaalsContact NE-OE2 3.16Å; R644-E673 IonicContact NH2-OE1 2.79Å; R644-E673 PolarHBondContact NH2-OE1 2.84Å; V670-E673 WeakPolarHBondContact O-CB 3.05Å; V670-E673 PolarHBondContact O-N 2.8Å; E673-Y675 VanDerWaalsContact C-N 3.34Å; E673-S678 WeakPolarHBondContact CG-OG 3.35Å; E673-S678 VanDerWaalsContact OE2-CB 3.31Å; E673-S678 WeakPolarHBondContact OE2-CB 3.41Å; E673-R715 VanDerWaalsContact O-CZ 3.25Å; E673-R715 PolarHBondContact O-NH1 3.19Å; E673-R715 PolarHBondContact O-NH2 3.28Å
674	P	94.9	Very high	95.7	Very high	13 Å²	13	9.1 Å²	9.1	8%	0.084	5%	0.05	C	C	.	.	S	Bend	trans	-63.9	-42.1	175.9	-21.2	32	0	0	0	111.6	L470 S639 R715	L470-P674 HydrophobicContact CD2-CB 4.15Å; S639-P674 WeakPolarHBondContact O-CG 3.37Å; P674-R715 PolarHBondContact O-NH2 3.26Å
675	Y	95.8	Very high	96	Very high	16 Å²	16	8.6 Å²	8.6	6%	0.063	5%	0.047	C	C	.	.	S	Bend	trans	-108.4	157.2	-175.5	-57.1	-79.3	0	0	0	111.9	E172 K425 G426 L470 I472 H474 E673	E172-Y675 WeakPolarHBondContact OE1-CA 3.47Å; E172-Y675 WeakPolarHBondContact OE1-CB 3.28Å; K425-Y675 HydrophobicContact CD-CE2 4.29Å; K425-Y675 HydrophobicContact CG-CE2 4.05Å; G426-Y675 PolarHBondContact N-OH 2.99Å; L470-Y675 HydrophobicContact CD1-CD1 3.89Å; L470-Y675 HydrophobicContact CD1-CE1 3.77Å; L470-Y675 HydrophobicContact CD2-CE1 4.44Å; I472-Y675 WeakPolarHBondContact O-CE1 3.25Å; I472-Y675 PolarHBondContact O-OH 3.12Å; H474-Y675 HydrophobicContact CB-CD1 4.09Å; E673-Y675 VanDerWaalsContact C-N 3.34Å
676	H	95.9	Very high	96.3	Very high	17 Å²	17	11.7 Å²	11.7	8%	0.079	6%	0.059	C	C	.	.	S	Bend	trans	-68.5	-42.3	177.9	-66.9	-68.2	0	0	0	112.7	E172 T176 R715	E172-H676 VanDerWaalsContact CD-CD2 3.4Å; E172-H676 HydrophobicContact CG-CB 4.5Å; E172-H676 IonicContact OE1-CD2 3.76Å; E172-H676 PolarHBondContact OE1-CD2 2.95Å; E172-H676 IonicContact OE1-CG 2.92Å; E172-H676 PolarHBondContact OE1-N 3.16Å; E172-H676 IonicContact OE2-CD2 2.84Å; T176-H676 HydrophobicContact CG2-CB 3.98Å; T176-H676 VanDerWaalsContact OG1-CB 3.31Å; T176-H676 WeakPolarHBondContact OG1-CB 3.22Å; H676-R715 VanDerWaalsContact ND1-CB 3.26Å; H676-R715 WeakPolarHBondContact ND1-CB 3.22Å; H676-R715 WeakPolarHBondContact ND1-CG 3.26Å; H676-R715 PolarHBondContact ND1-NE 3.04Å; H676-R715 VanDerWaalsContact ND1-NE 3.14Å
677	D	96.2	Very high	96.4	Very high	12 Å²	12	12 Å²	12	6%	0.064	6%	0.06	C	C	.	.	S	Bend	trans	-87.6	113.7	171.5	-175.4	13.2	0	0	0	110.4	T176 R179 R682	T176-D677 HydrophobicContact CG2-CB 3.95Å; R179-D677 WeakPolarHBondContact CB-OD2 3.35Å; R179-D677 VanDerWaalsContact CD-OD2 3.24Å; R179-D677 WeakPolarHBondContact CD-OD2 3.41Å; R179-D677 IonicContact CZ-OD2 2.79Å; R179-D677 IonicContact NE-OD2 3.2Å; R179-D677 PolarHBondContact NE-OD2 3.35Å; R179-D677 IonicContact NH1-OD2 2.7Å; R179-D677 PolarHBondContact NH1-OD2 2.66Å; D677-R682 IonicContact OD1-CZ 3.09Å; D677-R682 IonicContact OD1-NE 3.79Å; D677-R682 PolarHBondContact OD1-NE 2.56Å; D677-R682 IonicContact OD1-NH2 3.73Å; D677-R682 PolarHBondContact OD1-NH2 3.06Å; D677-R682 IonicContact OD2-CZ 3.58Å; D677-R682 IonicContact OD2-NE 3.51Å; D677-R682 IonicContact OD2-NH2 2.77Å; D677-R682 PolarHBondContact OD2-NH2 3.43Å
678	S	96.9	Very high	96.5	Very high	9 Å²	9	12 Å²	12	6%	0.063	6%	0.06	C	C	.	.			trans	-141.9	162.1	-178.3	70	0	0	0	0	111.6	E673 L680 A681 R682	E673-S678 WeakPolarHBondContact CG-OG 3.35Å; E673-S678 VanDerWaalsContact OE2-CB 3.31Å; E673-S678 WeakPolarHBondContact OE2-CB 3.41Å; S678-L680 PolarHBondContact O-N 3.32Å; S678-A681 PolarHBondContact O-N 3.16Å; S678-A681 WeakPolarHBondContact OG-CB 3.35Å; S678-A681 PolarHBondContact OG-N 2.88Å; S678-A681 VanDerWaalsContact OG-N 3.16Å; S678-R682 WeakPolarHBondContact O-CG 3.48Å; S678-R682 PolarHBondContact O-N 3.49Å
679	A	97.8	Very high	96.9	Very high	37 Å²	37	11.6 Å²	11.6	31%	0.306	6%	0.058	S	C	.	.	H	α-helix	trans	-56.3	-40.5	175	0	0	0	0	0	111.7	A645 V648 R682 F683	A645-A679 HydrophobicContact CB-CB 4.18Å; V648-A679 HydrophobicContact CB-CB 4.03Å; V648-A679 HydrophobicContact CG1-CB 4.12Å; V648-A679 HydrophobicContact CG2-CB 3.99Å; A679-R682 PolarHBondContact O-N 2.86Å; A679-F683 WeakPolarHBondContact O-CB 3.15Å; A679-F683 PolarHBondContact O-N 3.44Å
680	L	98.5	Very high	97	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.9	-43.9	-179.5	178.7	62	0	0	0	112	L634 V648 L651 L666 A669 V670 S678 R682 F683 L684	L634-L680 HydrophobicContact CD1-CD1 4.41Å; V648-L680 HydrophobicContact CG2-CB 3.91Å; V648-L680 HydrophobicContact CG2-CD1 4.41Å; L651-L680 HydrophobicContact CD1-CD1 4.48Å; L666-L680 HydrophobicContact CD2-CD1 4.09Å; A669-L680 HydrophobicContact CB-CD2 3.73Å; V670-L680 HydrophobicContact CG2-CD2 3.95Å; V670-L680 HydrophobicContact CG2-CG 4.12Å; S678-L680 PolarHBondContact O-N 3.32Å; L680-R682 VanDerWaalsContact C-N 3.32Å; L680-R682 PolarHBondContact O-N 2.94Å; L680-F683 HydrophobicContact CD1-CD1 4.35Å; L680-F683 WeakPolarHBondContact O-CB 3.44Å; L680-F683 PolarHBondContact O-N 3.49Å; L680-L684 HydrophobicContact CD1-CG 4.46Å; L680-L684 HydrophobicContact CG-CD1 4.48Å; L680-L684 WeakPolarHBondContact O-CG 3.27Å; L680-L684 PolarHBondContact O-N 2.99Å
681	A	98.3	Very high	97.1	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-61.2	-42.1	176.2	0	0	0	0	0	111.5	S678 L684 L685 I719	S678-A681 PolarHBondContact O-N 3.16Å; S678-A681 WeakPolarHBondContact OG-CB 3.35Å; S678-A681 PolarHBondContact OG-N 2.88Å; S678-A681 VanDerWaalsContact OG-N 3.16Å; A681-L684 PolarHBondContact O-N 3.48Å; A681-L685 WeakPolarHBondContact O-CB 3.47Å; A681-L685 PolarHBondContact O-N 3.27Å; A681-I719 HydrophobicContact CB-CD1 3.87Å; A681-I719 HydrophobicContact CB-CG1 4.3Å
682	R	98.3	Very high	97.3	Very high	34 Å²	34	18.7 Å²	18.7	13%	0.128	9%	0.086	C	C	.	.	H	α-helix	trans	-65.5	-38.7	175.1	-67.4	178.9	-176.5	-148.5	-0.3	112.6	L180 P183 D328 D677 S678 A679 L680 L685 R686	L180-R682 HydrophobicContact CD2-CG 3.96Å; P183-R682 HydrophobicContact CG-CG 4.32Å; D328-R682 IonicContact OD1-NH1 2.8Å; D328-R682 PolarHBondContact OD1-NH1 2.94Å; D677-R682 IonicContact OD1-CZ 3.09Å; D677-R682 IonicContact OD1-NE 3.79Å; D677-R682 PolarHBondContact OD1-NE 2.56Å; D677-R682 IonicContact OD1-NH2 3.73Å; D677-R682 PolarHBondContact OD1-NH2 3.06Å; D677-R682 IonicContact OD2-CZ 3.58Å; D677-R682 IonicContact OD2-NE 3.51Å; D677-R682 IonicContact OD2-NH2 2.77Å; D677-R682 PolarHBondContact OD2-NH2 3.43Å; S678-R682 WeakPolarHBondContact O-CG 3.48Å; S678-R682 PolarHBondContact O-N 3.49Å; A679-R682 PolarHBondContact O-N 2.86Å; L680-R682 VanDerWaalsContact C-N 3.32Å; L680-R682 PolarHBondContact O-N 2.94Å; R682-L685 PolarHBondContact O-N 2.84Å; R682-R686 WeakPolarHBondContact O-CG 3.42Å; R682-R686 PolarHBondContact O-N 2.91Å
683	F	98.6	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.6	-51.9	175	167.4	-99.4	0	0	0	111.2	V648 L651 E652 V659 L666 A679 L680 L685 R686 R687	V648-F683 HydrophobicContact CG1-CB 3.69Å; V648-F683 HydrophobicContact CG1-CD2 4.49Å; V648-F683 HydrophobicContact CG1-CG 4.19Å; L651-F683 HydrophobicContact CB-CE1 4.3Å; L651-F683 HydrophobicContact CB-CE2 4.08Å; L651-F683 HydrophobicContact CB-CZ 3.91Å; L651-F683 WeakPolarHBondContact O-CE2 3.23Å; E652-F683 WeakPolarHBondContact OE1-CD2 3.45Å; V659-F683 HydrophobicContact CG2-CZ 4.01Å; L666-F683 HydrophobicContact CD1-CE1 4.13Å; A679-F683 WeakPolarHBondContact O-CB 3.15Å; A679-F683 PolarHBondContact O-N 3.44Å; L680-F683 HydrophobicContact CD1-CD1 4.35Å; L680-F683 WeakPolarHBondContact O-CB 3.44Å; L680-F683 PolarHBondContact O-N 3.49Å; F683-L685 VanDerWaalsContact C-N 3.32Å; F683-L685 PolarHBondContact O-N 2.83Å; F683-R686 PolarHBondContact O-N 3.28Å; F683-R687 HydrophobicContact CD2-CG 4Å; F683-R687 HydrophobicContact CE1-CG 4.19Å; F683-R687 HydrophobicContact CE2-CG 3.63Å; F683-R687 HydrophobicContact CG-CG 4.46Å; F683-R687 HydrophobicContact CZ-CG 3.74Å; F683-R687 WeakPolarHBondContact O-CG 3.34Å; F683-R687 PolarHBondContact O-N 3.26Å
684	L	98.8	Very high	97.7	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-58.3	-44.5	178.3	-70.3	174.5	0	0	0	111.7	L663 L666 V667 V670 L680 A681 R687 G688 L698	L663-L684 HydrophobicContact CD1-CD2 3.78Å; L666-L684 HydrophobicContact CB-CD2 3.92Å; V667-L684 HydrophobicContact CG2-CD1 4.25Å; V670-L684 HydrophobicContact CG2-CD1 3.64Å; L680-L684 HydrophobicContact CD1-CG 4.46Å; L680-L684 HydrophobicContact CG-CD1 4.48Å; L680-L684 WeakPolarHBondContact O-CG 3.27Å; L680-L684 PolarHBondContact O-N 2.99Å; A681-L684 PolarHBondContact O-N 3.48Å; L684-R687 PolarHBondContact O-N 2.89Å; L684-G688 PolarHBondContact O-N 3.23Å; L684-L698 HydrophobicContact CB-CD1 4.32Å; L684-L698 WeakPolarHBondContact O-CD2 3.5Å
685	L	98.7	Very high	97.8	Very high	1 Å²	1	18 Å²	18	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-58.7	-49.1	176	179.9	62.2	0	0	0	111.7	L180 R184 A681 R682 F683 G688 L689 A722	L180-L685 HydrophobicContact CB-CD2 4.21Å; L180-L685 HydrophobicContact CD2-CD2 4.1Å; R184-L685 HydrophobicContact CB-CD2 4.37Å; A681-L685 WeakPolarHBondContact O-CB 3.47Å; A681-L685 PolarHBondContact O-N 3.27Å; R682-L685 PolarHBondContact O-N 2.84Å; F683-L685 VanDerWaalsContact C-N 3.32Å; F683-L685 PolarHBondContact O-N 2.83Å; L685-G688 PolarHBondContact O-N 3.01Å; L685-L689 HydrophobicContact CD1-CD1 3.74Å; L685-L689 HydrophobicContact CD1-CG 4.15Å; L685-L689 HydrophobicContact CG-CD1 3.85Å; L685-L689 WeakPolarHBondContact O-CB 3.41Å; L685-L689 VanDerWaalsContact O-CG 3.24Å; L685-L689 WeakPolarHBondContact O-CG 3.46Å; L685-L689 PolarHBondContact O-N 3.12Å; L685-A722 HydrophobicContact CD1-CB 3.98Å; L685-A722 HydrophobicContact CD2-CB 3.92Å
686	R	98.3	Very high	98	Very high	65 Å²	65	17.4 Å²	17.4	25%	0.245	8%	0.079	C	C	.	.	H	α-helix	trans	-60.1	-49.3	178.3	-76.9	-168.1	-65.6	-105.5	-0.7	112	E187 E652 R682 F683 G688 L689 R690	E187-R686 HydrophobicContact CG-CB 4.48Å; E652-R686 IonicContact OE1-CZ 2.77Å; E652-R686 IonicContact OE1-NE 3.76Å; E652-R686 IonicContact OE1-NH2 3.14Å; E652-R686 PolarHBondContact OE1-NH2 3.16Å; R682-R686 WeakPolarHBondContact O-CG 3.42Å; R682-R686 PolarHBondContact O-N 2.91Å; F683-R686 PolarHBondContact O-N 3.28Å; R686-G688 VanDerWaalsContact C-N 3.34Å; R686-G688 PolarHBondContact O-N 3.32Å; R686-L689 PolarHBondContact O-N 2.76Å; R686-R690 WeakPolarHBondContact O-CB 3.44Å; R686-R690 PolarHBondContact O-N 2.92Å
687	R	98.1	Very high	98.1	Very high	8 Å²	8	18.2 Å²	18.2	3%	0.03	8%	0.082	C	C	.	.	H	α-helix	trans	-63.7	-39.6	-179.1	-61.7	-57.7	-69.1	-94.7	0.7	112.1	L654 E655 D656 V659 F683 L684 R690 N691 I694	L654-R687 VanDerWaalsContact O-CZ 3.26Å; L654-R687 PolarHBondContact O-NH1 2.7Å; L654-R687 PolarHBondContact O-NH2 3.49Å; E655-R687 PolarHBondContact O-NH2 3.27Å; D656-R687 IonicContact OD1-CZ 2.81Å; D656-R687 IonicContact OD1-NE 3.75Å; D656-R687 PolarHBondContact OD1-NE 3.36Å; D656-R687 IonicContact OD1-NH2 2.65Å; D656-R687 PolarHBondContact OD1-NH2 3.41Å; V659-R687 VanDerWaalsContact CG2-CZ 3.4Å; V659-R687 VanDerWaalsContact CG2-NH2 3.32Å; F683-R687 HydrophobicContact CD2-CG 4Å; F683-R687 HydrophobicContact CE1-CG 4.19Å; F683-R687 HydrophobicContact CE2-CG 3.63Å; F683-R687 HydrophobicContact CG-CG 4.46Å; F683-R687 HydrophobicContact CZ-CG 3.74Å; F683-R687 WeakPolarHBondContact O-CG 3.34Å; F683-R687 PolarHBondContact O-N 3.26Å; L684-R687 PolarHBondContact O-N 2.89Å; R687-R690 PolarHBondContact O-N 3.12Å; R687-N691 PolarHBondContact O-N 3.21Å; R687-N691 VanDerWaalsContact O-N 3.14Å; R687-I694 HydrophobicContact CB-CD1 4.37Å; R687-I694 HydrophobicContact CB-CG2 4.17Å
688	G	98.3	Very high	98.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.4	-36.9	174.9	0	0	0	0	0	113.8	L684 L685 R686 G695	L684-G688 PolarHBondContact O-N 3.23Å; L685-G688 PolarHBondContact O-N 3.01Å; R686-G688 VanDerWaalsContact C-N 3.34Å; R686-G688 PolarHBondContact O-N 3.32Å; G688-G695 WeakPolarHBondContact O-CA 3.37Å
689	L	98.5	Very high	98.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-77.4	-21.4	178	-70.1	170.8	0	0	0	113.8	R184 E187 R191 Y196 L685 R686 Y723 G726	R184-L689 HydrophobicContact CB-CD1 4.02Å; R184-L689 HydrophobicContact CG-CD1 3.58Å; E187-L689 HydrophobicContact CB-CB 4.29Å; E187-L689 HydrophobicContact CB-CD1 4.33Å; E187-L689 HydrophobicContact CG-CB 3.74Å; R191-L689 PolarHBondContact NH1-O 3.3Å; Y196-L689 WeakPolarHBondContact CE2-O 3.22Å; L685-L689 HydrophobicContact CD1-CD1 3.74Å; L685-L689 HydrophobicContact CD1-CG 4.15Å; L685-L689 HydrophobicContact CG-CD1 3.85Å; L685-L689 WeakPolarHBondContact O-CB 3.41Å; L685-L689 VanDerWaalsContact O-CG 3.24Å; L685-L689 WeakPolarHBondContact O-CG 3.46Å; L685-L689 PolarHBondContact O-N 3.12Å; R686-L689 PolarHBondContact O-N 2.76Å; L689-Y723 HydrophobicContact CD2-CD2 4Å; L689-Y723 HydrophobicContact CD2-CE2 4.49Å; L689-Y723 HydrophobicContact CG-CD2 4.29Å; L689-G726 WeakPolarHBondContact CD2-O 3.1Å
690	R	97.5	Very high	98.3	Very high	115 Å²	115	15.5 Å²	15.5	43%	0.434	6%	0.062	S	C	.	.	H	α-helix	trans	-84.1	-34.6	177.4	-170.1	175.7	-63.8	170.1	5.1	113.3	E187 Y196 R686 R687	E187-R690 WeakPolarHBondContact OE1-CB 3.5Å; E187-R690 IonicContact OE1-CZ 3.85Å; E187-R690 IonicContact OE1-NE 3.34Å; E187-R690 PolarHBondContact OE1-NE 2.94Å; E187-R690 IonicContact OE1-NH2 3.96Å; E187-R690 PolarHBondContact OE1-NH2 3.07Å; E187-R690 VanDerWaalsContact OE1-NH2 3.13Å; E187-R690 IonicContact OE2-CZ 3.15Å; E187-R690 IonicContact OE2-NE 2.66Å; E187-R690 IonicContact OE2-NH2 2.58Å; E187-R690 PolarHBondContact OE2-NH2 3.14Å; Y196-R690 WeakPolarHBondContact CD2-O 2.93Å; R686-R690 WeakPolarHBondContact O-CB 3.44Å; R686-R690 PolarHBondContact O-N 2.92Å; R687-R690 PolarHBondContact O-N 3.12Å
691	N	97.5	Very high	98.3	Very high	15 Å²	15	16.5 Å²	16.5	8%	0.08	7%	0.066	C	C	.	.			trans	-131.4	120.4	-174.6	-176	-60.8	0	0	0	111	D656 R687 R693 I694 G695	D656-N691 PolarHBondContact OD2-ND2 3.27Å; R687-N691 PolarHBondContact O-N 3.21Å; R687-N691 VanDerWaalsContact O-N 3.14Å; N691-R693 VanDerWaalsContact C-N 3.32Å; N691-R693 PolarHBondContact O-N 3Å; N691-R693 WeakPolarHBondContact OD1-CA 3.42Å; N691-R693 WeakPolarHBondContact OD1-CB 3.37Å; N691-R693 PolarHBondContact OD1-N 3.28Å; N691-I694 HydrophobicContact CB-CB 4.22Å; N691-I694 HydrophobicContact CB-CD1 3.98Å; N691-I694 HydrophobicContact CB-CG1 4.1Å; N691-I694 PolarHBondContact O-N 2.84Å; N691-I694 PolarHBondContact OD1-N 3.5Å; N691-G695 PolarHBondContact O-N 3.34Å
692	K	97.6	Very high	98.3	Very high	24 Å²	24	16.5 Å²	16.5	10%	0.104	7%	0.066	C	C	.	.	H	α-helix	trans	-61.2	-34.7	-177.1	-70.9	-170	176.2	179.1	0	113.7	Y196 H199 D316 G695 H696 M731	Y196-K692 HydrophobicContact CD1-CG 4.44Å; Y196-K692 HydrophobicContact CD2-CG 4.12Å; Y196-K692 HydrophobicContact CE1-CD 4.34Å; Y196-K692 HydrophobicContact CE1-CG 4.02Å; Y196-K692 HydrophobicContact CE2-CG 3.67Å; Y196-K692 HydrophobicContact CG-CG 4.49Å; Y196-K692 VanDerWaalsContact O-CD 3.26Å; Y196-K692 WeakPolarHBondContact O-CD 3.37Å; Y196-K692 WeakPolarHBondContact O-CE 3.23Å; Y196-K692 WeakPolarHBondContact O-CG 3.2Å; H199-K692 HydrophobicContact CB-CB 4.1Å; D316-K692 VanDerWaalsContact OD1-CE 3.28Å; D316-K692 WeakPolarHBondContact OD1-CE 3.44Å; D316-K692 IonicContact OD1-NZ 3.96Å; D316-K692 PolarHBondContact OD1-NZ 3.24Å; D316-K692 WeakPolarHBondContact OD2-CE 3.42Å; D316-K692 IonicContact OD2-NZ 3.07Å; D316-K692 PolarHBondContact OD2-NZ 3.46Å; K692-G695 PolarHBondContact O-N 3.44Å; K692-H696 VanDerWaalsContact O-CB 3.29Å; K692-H696 WeakPolarHBondContact O-CB 3.49Å; K692-H696 PolarHBondContact O-N 3.21Å; K692-M731 HydrophobicContact CB-CE 3.97Å; K692-M731 HydrophobicContact CB-SD 3.89Å; K692-M731 HydrophobicContact CD-CG 3.96Å; K692-M731 HydrophobicContact CD-SD 3.9Å; K692-M731 HydrophobicContact CG-CE 3.93Å; K692-M731 HydrophobicContact CG-CG 4.18Å; K692-M731 HydrophobicContact CG-SD 3.81Å
693	R	97.9	Very high	98.2	Very high	23 Å²	23	16 Å²	16	9%	0.087	6%	0.064	C	C	.	.	H	α-helix	trans	-67.9	-44.1	178.8	-163.8	172	-170.4	91.1	5.6	110.7	W201 E279 L660 N691 H696 F697 D791 P792	W201-R693 VanDerWaalsContact CZ3-NH2 3.27Å; E279-R693 IonicContact OE1-NH1 3.55Å; L660-R693 HydrophobicContact CD1-CG 4.08Å; L660-R693 HydrophobicContact CD2-CG 4.28Å; N691-R693 VanDerWaalsContact C-N 3.32Å; N691-R693 PolarHBondContact O-N 3Å; N691-R693 WeakPolarHBondContact OD1-CA 3.42Å; N691-R693 WeakPolarHBondContact OD1-CB 3.37Å; N691-R693 PolarHBondContact OD1-N 3.28Å; R693-H696 PolarHBondContact O-N 3.28Å; R693-F697 HydrophobicContact CG-CD2 4.32Å; R693-F697 HydrophobicContact CG-CE2 4.06Å; R693-F697 VanDerWaalsContact O-CD2 3.26Å; R693-F697 WeakPolarHBondContact O-CD2 3.37Å; R693-F697 PolarHBondContact O-N 3.41Å; R693-D791 IonicContact NH1-OD1 3.11Å; R693-D791 IonicContact NH2-OD1 3.27Å; R693-D791 PolarHBondContact NH2-OD1 3.44Å; R693-P792 HydrophobicContact CG-CG 4.32Å
694	I	98.6	Very high	98	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.2	-47.8	173	-62.4	177.1	0	0	0	110.2	D656 V659 L660 L663 R687 N691 H696 F697 L698	D656-I694 HydrophobicContact CB-CD1 3.87Å; D656-I694 WeakPolarHBondContact OD1-CD1 3.26Å; V659-I694 HydrophobicContact CB-CD1 4.05Å; V659-I694 HydrophobicContact CG1-CD1 3.88Å; V659-I694 HydrophobicContact CG1-CG1 4.45Å; V659-I694 HydrophobicContact CG1-CG2 4.24Å; L660-I694 HydrophobicContact CD2-CB 4.41Å; L660-I694 HydrophobicContact CD2-CG1 3.78Å; L660-I694 HydrophobicContact CG-CG1 3.92Å; L663-I694 HydrophobicContact CD1-CG2 4.31Å; L663-I694 HydrophobicContact CD2-CG2 4.26Å; R687-I694 HydrophobicContact CB-CD1 4.37Å; R687-I694 HydrophobicContact CB-CG2 4.17Å; N691-I694 HydrophobicContact CB-CB 4.22Å; N691-I694 HydrophobicContact CB-CD1 3.98Å; N691-I694 HydrophobicContact CB-CG1 4.1Å; N691-I694 PolarHBondContact O-N 2.84Å; N691-I694 PolarHBondContact OD1-N 3.5Å; I694-H696 VanDerWaalsContact C-N 3.32Å; I694-H696 PolarHBondContact O-N 3.44Å; I694-F697 PolarHBondContact O-N 3.22Å; I694-L698 VanDerWaalsContact O-CB 3.25Å; I694-L698 WeakPolarHBondContact O-CB 3.47Å; I694-L698 PolarHBondContact O-N 3.49Å
695	G	98.6	Very high	97.6	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.5	-41.1	178.9	0	0	0	0	0	113.3	G688 N691 K692 L698 F699 Y723	G688-G695 WeakPolarHBondContact O-CA 3.37Å; N691-G695 PolarHBondContact O-N 3.34Å; K692-G695 PolarHBondContact O-N 3.44Å; G695-L698 PolarHBondContact O-N 2.96Å; G695-F699 WeakPolarHBondContact O-CB 3.47Å; G695-F699 PolarHBondContact O-N 3.45Å; G695-Y723 WeakPolarHBondContact CA-OH 3.45Å; G695-Y723 VanDerWaalsContact O-CZ 3.32Å; G695-Y723 PolarHBondContact O-OH 2.93Å
696	H	98.8	Very high	97.4	Very high	3 Å²	3	16.1 Å²	16.1	1%	0.014	7%	0.065	C	C	.	.	H	α-helix	trans	-60.6	-49.6	176.7	176.8	89.2	0	0	0	112.7	K692 R693 I694 F699 W700 F735 Q738 P789 P792	K692-H696 VanDerWaalsContact O-CB 3.29Å; K692-H696 WeakPolarHBondContact O-CB 3.49Å; K692-H696 PolarHBondContact O-N 3.21Å; R693-H696 PolarHBondContact O-N 3.28Å; I694-H696 VanDerWaalsContact C-N 3.32Å; I694-H696 PolarHBondContact O-N 3.44Å; H696-F699 WeakPolarHBondContact O-CB 3.45Å; H696-F699 PolarHBondContact O-N 3Å; H696-W700 AromaticContact CE1-CD1 3.79Å; H696-W700 AromaticContact CE1-NE1 3.43Å; H696-W700 PolarHBondContact CE1-NE1 3.38Å; H696-W700 AromaticContact NE2-CD1 3.58Å; H696-W700 AromaticContact NE2-NE1 3.65Å; H696-W700 VanDerWaalsContact O-CD1 3.29Å; H696-W700 PolarHBondContact O-N 3.07Å; H696-F735 AromaticContact ND1-CE1 3.82Å; H696-Q738 PolarHBondContact CE1-OE1 2.94Å; H696-Q738 VanDerWaalsContact CE1-OE1 3.29Å; H696-P789 PolarHBondContact NE2-O 3.25Å; H696-P792 HydrophobicContact CB-CB 4.4Å; H696-P792 HydrophobicContact CB-CG 4.35Å
697	F	98.6	Very high	97.1	Very high	34 Å²	34	15 Å²	15	15%	0.149	7%	0.07	C	C	.	.	H	α-helix	trans	-71.5	-35.2	177.8	-72.4	-67.2	0	0	0	112.3	L660 L663 R693 I694 F699 W700 F701 Y790 P792 I873	L660-F697 HydrophobicContact CD2-CD2 3.92Å; L663-F697 HydrophobicContact CD2-CB 3.68Å; R693-F697 HydrophobicContact CG-CD2 4.32Å; R693-F697 HydrophobicContact CG-CE2 4.06Å; R693-F697 VanDerWaalsContact O-CD2 3.26Å; R693-F697 WeakPolarHBondContact O-CD2 3.37Å; R693-F697 PolarHBondContact O-N 3.41Å; I694-F697 PolarHBondContact O-N 3.22Å; F697-F699 VanDerWaalsContact C-N 3.3Å; F697-F699 PolarHBondContact O-N 2.77Å; F697-W700 PolarHBondContact O-N 3.13Å; F697-F701 HydrophobicContact CB-CE2 4.11Å; F697-F701 HydrophobicContact CB-CZ 4.06Å; F697-F701 HydrophobicContact CD1-CE1 4.34Å; F697-F701 HydrophobicContact CD1-CZ 4.24Å; F697-F701 HydrophobicContact CG-CZ 4.48Å; F697-F701 WeakPolarHBondContact O-CB 3.23Å; F697-F701 WeakPolarHBondContact O-CD1 3.5Å; F697-F701 WeakPolarHBondContact O-CG 3.47Å; F697-F701 PolarHBondContact O-N 3.27Å; F697-Y790 WeakPolarHBondContact CZ-O 3.49Å; F697-P792 HydrophobicContact CE2-CG 4.44Å; F697-I873 HydrophobicContact CD1-CD1 4.16Å; F697-I873 HydrophobicContact CE1-CD1 4.32Å
698	L	98.8	Very high	96.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-57.9	-43.5	173.5	179.8	63.6	0	0	0	111.1	L663 V667 L684 I694 G695 W700 F701 L702	L663-L698 HydrophobicContact CD1-CD1 4.5Å; V667-L698 HydrophobicContact CG2-CD1 3.7Å; L684-L698 HydrophobicContact CB-CD1 4.32Å; L684-L698 WeakPolarHBondContact O-CD2 3.5Å; I694-L698 VanDerWaalsContact O-CB 3.25Å; I694-L698 WeakPolarHBondContact O-CB 3.47Å; I694-L698 PolarHBondContact O-N 3.49Å; G695-L698 PolarHBondContact O-N 2.96Å; L698-W700 PolarHBondContact O-N 2.8Å; L698-F701 PolarHBondContact O-N 3.34Å; L698-L702 HydrophobicContact CD1-CD1 3.78Å; L698-L702 HydrophobicContact CD1-CG 4.01Å; L698-L702 HydrophobicContact CG-CD1 3.85Å; L698-L702 HydrophobicContact CG-CG 4.43Å; L698-L702 WeakPolarHBondContact O-CB 3.47Å; L698-L702 VanDerWaalsContact O-CG 3.25Å; L698-L702 WeakPolarHBondContact O-CG 2.92Å; L698-L702 PolarHBondContact O-N 2.91Å
699	F	98.8	Very high	95.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-55	-53.3	174.7	171.8	-89.9	0	0	0	111.7	G695 H696 F697 L702 R703 L720 Y723 L724 F735 V739	G695-F699 WeakPolarHBondContact O-CB 3.47Å; G695-F699 PolarHBondContact O-N 3.45Å; H696-F699 WeakPolarHBondContact O-CB 3.45Å; H696-F699 PolarHBondContact O-N 3Å; F697-F699 VanDerWaalsContact C-N 3.3Å; F697-F699 PolarHBondContact O-N 2.77Å; F699-L702 PolarHBondContact O-N 3.36Å; F699-R703 WeakPolarHBondContact O-CB 3.45Å; F699-R703 PolarHBondContact O-N 2.83Å; F699-L720 HydrophobicContact CB-CD1 4.32Å; F699-L720 HydrophobicContact CD2-CD1 3.69Å; F699-L720 HydrophobicContact CE2-CD1 4.41Å; F699-L720 HydrophobicContact CG-CD1 4.33Å; F699-Y723 HydrophobicContact CB-CE1 4.05Å; F699-L724 HydrophobicContact CD2-CD2 3.83Å; F699-L724 HydrophobicContact CE2-CD1 4.36Å; F699-L724 HydrophobicContact CE2-CD2 3.96Å; F699-F735 HydrophobicContact CB-CD1 4.3Å; F699-F735 HydrophobicContact CB-CE1 3.59Å; F699-F735 HydrophobicContact CB-CE2 4.32Å; F699-F735 HydrophobicContact CB-CZ 3.6Å; F699-F735 AromaticContact CD1-CD1 3.39Å; F699-F735 HydrophobicContact CD1-CD1 3.39Å; F699-F735 AromaticContact CD1-CE1 3.43Å; F699-F735 HydrophobicContact CD1-CE1 3.43Å; F699-F735 VanDerWaalsContact CD1-CE1 3.43Å; F699-F735 HydrophobicContact CD1-CG 4.2Å; F699-F735 HydrophobicContact CD1-CZ 4.26Å; F699-F735 AromaticContact CD2-CD1 3.95Å; F699-F735 HydrophobicContact CD2-CD1 3.95Å; F699-F735 HydrophobicContact CD2-CD2 4.1Å; F699-F735 HydrophobicContact CD2-CE1 4.06Å; F699-F735 HydrophobicContact CD2-CE2 4.2Å; F699-F735 AromaticContact CD2-CG 3.99Å; F699-F735 HydrophobicContact CD2-CG 3.99Å; F699-F735 HydrophobicContact CD2-CZ 4.18Å; F699-F735 HydrophobicContact CE1-CB 4.42Å; F699-F735 AromaticContact CE1-CD1 3.57Å; F699-F735 HydrophobicContact CE1-CD1 3.57Å; F699-F735 HydrophobicContact CE1-CE1 4.12Å; F699-F735 HydrophobicContact CE1-CG 4.16Å; F699-F735 HydrophobicContact CE2-CB 4.17Å; F699-F735 HydrophobicContact CE2-CD1 4.13Å; F699-F735 HydrophobicContact CE2-CD2 4.35Å; F699-F735 AromaticContact CE2-CG 3.97Å; F699-F735 HydrophobicContact CE2-CG 3.97Å; F699-F735 AromaticContact CG-CD1 3.61Å; F699-F735 HydrophobicContact CG-CD1 3.61Å; F699-F735 HydrophobicContact CG-CD2 4.42Å; F699-F735 AromaticContact CG-CE1 3.41Å; F699-F735 HydrophobicContact CG-CE1 3.41Å; F699-F735 VanDerWaalsContact CG-CE1 3.41Å; F699-F735 HydrophobicContact CG-CE2 4.26Å; F699-F735 HydrophobicContact CG-CG 4.14Å; F699-F735 AromaticContact CG-CZ 3.77Å; F699-F735 HydrophobicContact CG-CZ 3.77Å; F699-F735 HydrophobicContact CZ-CB 4.03Å; F699-F735 AromaticContact CZ-CD1 3.94Å; F699-F735 HydrophobicContact CZ-CD1 3.94Å; F699-F735 HydrophobicContact CZ-CG 4.05Å; F699-V739 HydrophobicContact CE1-CG2 4.37Å; F699-V739 HydrophobicContact CZ-CG2 4.01Å
700	W	98.4	Very high	95.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.6	-36.1	-176.4	-74.5	114.1	0	0	0	113.4	H696 F697 L698 S704 Q738 V739 I742 P789 I873 T875	H696-W700 AromaticContact CE1-CD1 3.79Å; H696-W700 AromaticContact CE1-NE1 3.43Å; H696-W700 PolarHBondContact CE1-NE1 3.38Å; H696-W700 AromaticContact NE2-CD1 3.58Å; H696-W700 AromaticContact NE2-NE1 3.65Å; H696-W700 VanDerWaalsContact O-CD1 3.29Å; H696-W700 PolarHBondContact O-N 3.07Å; F697-W700 PolarHBondContact O-N 3.13Å; L698-W700 PolarHBondContact O-N 2.8Å; W700-S704 VanDerWaalsContact O-CB 3.32Å; W700-S704 WeakPolarHBondContact O-CB 3.19Å; W700-S704 PolarHBondContact O-N 3.26Å; W700-S704 PolarHBondContact O-OG 2.92Å; W700-Q738 HydrophobicContact CH2-CB 4.32Å; W700-Q738 HydrophobicContact CZ2-CB 3.72Å; W700-Q738 HydrophobicContact CZ2-CG 4.47Å; W700-V739 HydrophobicContact CH2-CG2 4.02Å; W700-I742 HydrophobicContact CH2-CD1 3.13Å; W700-I742 HydrophobicContact CZ2-CD1 3.88Å; W700-I742 HydrophobicContact CZ3-CD1 3.61Å; W700-P789 HydrophobicContact CZ2-CB 4.32Å; W700-P789 HydrophobicContact CZ2-CG 4.28Å; W700-I873 HydrophobicContact CB-CD1 3.46Å; W700-I873 VanDerWaalsContact CB-CD1 3.46Å; W700-I873 HydrophobicContact CB-CG1 4.06Å; W700-I873 HydrophobicContact CD2-CD1 4.48Å; W700-I873 HydrophobicContact CG-CD1 3.61Å; W700-I873 HydrophobicContact CG-CG1 4.43Å; W700-T875 HydrophobicContact CE3-CG2 4.03Å; W700-T875 HydrophobicContact CZ3-CG2 4.01Å
701	F	97.3	Very high	95.2	Very high	22 Å²	22	18 Å²	18	10%	0.096	9%	0.091	C	C	.	.	H	α-helix	trans	-67.5	-41.6	177	-63.5	-10.5	0	0	0	111.3	L663 L664 V667 F697 L698 S704 E705 M845	L663-F701 HydrophobicContact CB-CD2 4.49Å; L663-F701 HydrophobicContact CB-CE2 4.03Å; L663-F701 HydrophobicContact CD2-CD2 4.12Å; L663-F701 HydrophobicContact CD2-CE2 3.9Å; L663-F701 HydrophobicContact CG-CD2 3.9Å; L663-F701 HydrophobicContact CG-CE2 3.85Å; L664-F701 HydrophobicContact CB-CD2 4.28Å; L664-F701 HydrophobicContact CB-CE2 3.97Å; L664-F701 HydrophobicContact CB-CZ 4.43Å; L664-F701 HydrophobicContact CD1-CB 4.46Å; L664-F701 HydrophobicContact CD1-CD1 4.14Å; L664-F701 HydrophobicContact CD1-CD2 4.04Å; L664-F701 HydrophobicContact CD1-CE1 4.41Å; L664-F701 HydrophobicContact CD1-CE2 4.3Å; L664-F701 HydrophobicContact CD1-CG 3.96Å; L664-F701 HydrophobicContact CD1-CZ 4.48Å; V667-F701 HydrophobicContact CB-CB 4.5Å; V667-F701 HydrophobicContact CG1-CB 4.19Å; V667-F701 HydrophobicContact CG2-CB 4.22Å; V667-F701 HydrophobicContact CG2-CD2 4.38Å; F697-F701 HydrophobicContact CB-CE2 4.11Å; F697-F701 HydrophobicContact CB-CZ 4.06Å; F697-F701 HydrophobicContact CD1-CE1 4.34Å; F697-F701 HydrophobicContact CD1-CZ 4.24Å; F697-F701 HydrophobicContact CG-CZ 4.48Å; F697-F701 WeakPolarHBondContact O-CB 3.23Å; F697-F701 WeakPolarHBondContact O-CD1 3.5Å; F697-F701 WeakPolarHBondContact O-CG 3.47Å; F697-F701 PolarHBondContact O-N 3.27Å; L698-F701 PolarHBondContact O-N 3.34Å; F701-S704 PolarHBondContact O-OG 2.82Å; F701-S704 VanDerWaalsContact O-OG 3.07Å; F701-E705 PolarHBondContact O-N 3.19Å; F701-M845 HydrophobicContact CD1-CE 3.6Å; F701-M845 HydrophobicContact CE1-CE 3.38Å; F701-M845 HydrophobicContact CZ-CE 4.42Å
702	L	97.9	Very high	95	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-67.6	-48.5	174.7	-68.1	172.6	0	0	0	111.3	V667 L698 F699 S704 E705 I706 F716 I719 L720	V667-L702 HydrophobicContact CG1-CD2 4.07Å; L698-L702 HydrophobicContact CD1-CD1 3.78Å; L698-L702 HydrophobicContact CD1-CG 4.01Å; L698-L702 HydrophobicContact CG-CD1 3.85Å; L698-L702 HydrophobicContact CG-CG 4.43Å; L698-L702 WeakPolarHBondContact O-CB 3.47Å; L698-L702 VanDerWaalsContact O-CG 3.25Å; L698-L702 WeakPolarHBondContact O-CG 2.92Å; L698-L702 PolarHBondContact O-N 2.91Å; F699-L702 PolarHBondContact O-N 3.36Å; L702-S704 VanDerWaalsContact C-N 3.34Å; L702-S704 PolarHBondContact O-N 2.78Å; L702-E705 PolarHBondContact O-N 3.16Å; L702-I706 VanDerWaalsContact O-CG1 3.24Å; L702-I706 WeakPolarHBondContact O-CG1 3.37Å; L702-I706 PolarHBondContact O-N 3.15Å; L702-F716 HydrophobicContact CD2-CB 3.96Å; L702-F716 HydrophobicContact CD2-CD1 3.24Å; L702-F716 HydrophobicContact CD2-CE1 3.91Å; L702-F716 HydrophobicContact CD2-CG 3.87Å; L702-I719 HydrophobicContact CD1-CB 4.35Å; L702-I719 HydrophobicContact CD1-CG2 3.85Å; L702-L720 HydrophobicContact CB-CB 4.41Å; L702-L720 HydrophobicContact CB-CD1 4.27Å; L702-L720 HydrophobicContact CB-CD2 4.36Å; L702-L720 HydrophobicContact CD1-CB 4.14Å; L702-L720 HydrophobicContact CD1-CD1 4.07Å
703	R	97.2	Very high	94.8	Very high	22 Å²	22	17.8 Å²	17.8	8%	0.083	9%	0.09	C	C	.	.	H	α-helix	trans	-61.2	-40	-177.6	-169.2	-177.7	-167.7	-79.9	-4.2	112.9	L157 F699 I706 A707 L720 T875	L157-R703 WeakPolarHBondContact O-CD 3.32Å; L157-R703 PolarHBondContact O-NE 2.98Å; F699-R703 WeakPolarHBondContact O-CB 3.45Å; F699-R703 PolarHBondContact O-N 2.83Å; R703-I706 PolarHBondContact O-N 3.19Å; R703-A707 PolarHBondContact O-N 2.89Å; R703-A707 VanDerWaalsContact O-N 3.11Å; R703-L720 HydrophobicContact CB-CD2 4.24Å; R703-T875 PolarHBondContact NH1-O 2.74Å
704	S	93.1	Very high	94.6	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-65.2	-39.9	177.7	58.9	0	0	0	0	112.4	W700 F701 L702 A707 Q708 S874	W700-S704 VanDerWaalsContact O-CB 3.32Å; W700-S704 WeakPolarHBondContact O-CB 3.19Å; W700-S704 PolarHBondContact O-N 3.26Å; W700-S704 PolarHBondContact O-OG 2.92Å; F701-S704 PolarHBondContact O-OG 2.82Å; F701-S704 VanDerWaalsContact O-OG 3.07Å; L702-S704 VanDerWaalsContact C-N 3.34Å; L702-S704 PolarHBondContact O-N 2.78Å; S704-A707 PolarHBondContact O-N 3.35Å; S704-Q708 WeakPolarHBondContact O-CB 3.27Å; S704-Q708 VanDerWaalsContact O-CG 3.32Å; S704-Q708 WeakPolarHBondContact O-CG 3.43Å; S704-Q708 PolarHBondContact O-N 2.99Å; S704-S874 WeakPolarHBondContact CB-OG 3.48Å
705	E	91.7	Very high	94.5	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-69.3	-39.2	174.6	-72.4	-66.8	150.6	0	0	112.6	Q668 K671 F701 L702 A707 Q708 S709 F716 R842	Q668-E705 PolarHBondContact NE2-OE1 3.26Å; K671-E705 VanDerWaalsContact CE-OE2 3.3Å; K671-E705 WeakPolarHBondContact CE-OE2 3.5Å; K671-E705 IonicContact NZ-OE1 2.82Å; K671-E705 IonicContact NZ-OE2 3.26Å; K671-E705 PolarHBondContact NZ-OE2 3.36Å; F701-E705 PolarHBondContact O-N 3.19Å; L702-E705 PolarHBondContact O-N 3.16Å; E705-A707 VanDerWaalsContact C-N 3.27Å; E705-A707 PolarHBondContact O-N 3.46Å; E705-Q708 PolarHBondContact O-N 3.27Å; E705-Q708 VanDerWaalsContact O-N 3.15Å; E705-S709 WeakPolarHBondContact O-CB 2.9Å; E705-S709 PolarHBondContact O-N 3.35Å; E705-F716 HydrophobicContact CB-CD2 3.67Å; E705-F716 HydrophobicContact CB-CE2 3.66Å; E705-F716 HydrophobicContact CG-CE2 4.08Å; E705-R842 WeakPolarHBondContact OE1-CD 3.1Å; E705-R842 IonicContact OE1-CZ 2.63Å; E705-R842 IonicContact OE1-NE 3.17Å; E705-R842 IonicContact OE1-NH1 2.81Å; E705-R842 PolarHBondContact OE1-NH1 2.76Å; E705-R842 IonicContact OE2-NH1 2.83Å; E705-R842 PolarHBondContact OE2-NH1 3Å
706	I	94.9	Very high	94.5	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.015	9%	0.09	C	C	.	.	H	α-helix	trans	-57.5	-42.9	174.5	-68.7	163.1	0	0	0	110.7	I158 Y160 L702 R703 Q708 Q713 F716 A717 L720	I158-I706 HydrophobicContact CG2-CD1 3.92Å; I158-I706 HydrophobicContact CG2-CG2 4.5Å; Y160-I706 HydrophobicContact CG-CG2 4.49Å; L702-I706 VanDerWaalsContact O-CG1 3.24Å; L702-I706 WeakPolarHBondContact O-CG1 3.37Å; L702-I706 PolarHBondContact O-N 3.15Å; R703-I706 PolarHBondContact O-N 3.19Å; I706-Q708 VanDerWaalsContact C-N 3.3Å; I706-Q708 PolarHBondContact O-N 3.45Å; I706-Q713 HydrophobicContact CG2-CB 4.3Å; I706-F716 HydrophobicContact CD1-CB 4.02Å; I706-F716 HydrophobicContact CG1-CB 3.58Å; I706-A717 HydrophobicContact CD1-CB 4.04Å; I706-A717 HydrophobicContact CG1-CB 4.41Å; I706-L720 HydrophobicContact CD1-CB 4.3Å; I706-L720 HydrophobicContact CD1-CD2 3.72Å
707	A	90.6	Very high	94.4	Very high	42 Å²	42	17.4 Å²	17.4	35%	0.347	9%	0.089	S	C	.	.	H	α-helix	trans	-72.5	-19.7	-179.7	0	0	0	0	0	114.2	R703 S704 E705 N877	R703-A707 PolarHBondContact O-N 2.89Å; R703-A707 VanDerWaalsContact O-N 3.11Å; S704-A707 PolarHBondContact O-N 3.35Å; E705-A707 VanDerWaalsContact C-N 3.27Å; E705-A707 PolarHBondContact O-N 3.46Å; A707-N877 HydrophobicContact CB-CB 4.32Å; A707-N877 WeakPolarHBondContact O-CB 3.43Å
708	Q	84.5	Confident	94.4	Very high	38 Å²	38	16 Å²	16	18%	0.178	8%	0.083	C	C	.	.	H	α-helix	trans	-115.6	-28.5	-169.8	-70.3	-176.8	4.3	0	0	114.5	S704 E705 I706 S874 G876 N877	S704-Q708 WeakPolarHBondContact O-CB 3.27Å; S704-Q708 VanDerWaalsContact O-CG 3.32Å; S704-Q708 WeakPolarHBondContact O-CG 3.43Å; S704-Q708 PolarHBondContact O-N 2.99Å; E705-Q708 PolarHBondContact O-N 3.27Å; E705-Q708 VanDerWaalsContact O-N 3.15Å; I706-Q708 VanDerWaalsContact C-N 3.3Å; I706-Q708 PolarHBondContact O-N 3.45Å; Q708-S874 PolarHBondContact NE2-OG 3.46Å; Q708-G876 PolarHBondContact NE2-O 3Å; Q708-N877 HydrophobicContact CG-CB 4.25Å
709	S	87.4	Confident	94.4	Very high	8 Å²	8	16.1 Å²	16.1	6%	0.056	8%	0.084	C	C	.	.			trans	-117.7	97.2	-171.8	-175.2	0	0	0	0	111.9	E705 H711 Y712 Q713	E705-S709 WeakPolarHBondContact O-CB 2.9Å; E705-S709 PolarHBondContact O-N 3.35Å; S709-H711 PolarHBondContact O-N 3.01Å; S709-Y712 PolarHBondContact O-N 3.38Å; S709-Q713 WeakPolarHBondContact O-CB 3.5Å; S709-Q713 PolarHBondContact O-N 3.47Å
710	M	89.8	Confident	94.4	Very high	108 Å²	108	16.1 Å²	16.1	53%	0.532	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.2	174.4	-67.3	-176.7	174.3	0	0	112.9	W488 P511 Y712	W488-M710 HydrophobicContact CH2-CB 3.94Å; W488-M710 HydrophobicContact CZ3-CB 3.94Å; P511-M710 HydrophobicContact CG-SD 4.32Å; M710-Y712 VanDerWaalsContact C-N 3.27Å; M710-Y712 PolarHBondContact O-N 3.01Å
711	H	91.3	Very high	94.4	Very high	32 Å²	32	16.3 Å²	16.3	15%	0.148	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.4	178.9	-57.2	101.7	0	0	0	113.3	Y466 W488 D503 T506 A508 S709	Y466-H711 PolarHBondContact OH-NE2 3.31Å; W488-H711 AromaticContact CD2-CD2 3.37Å; W488-H711 AromaticContact CD2-NE2 3.52Å; W488-H711 AromaticContact CE2-CD2 3.54Å; W488-H711 AromaticContact CE3-CD2 3.55Å; W488-H711 AromaticContact CE3-NE2 3.41Å; W488-H711 AromaticContact CG-CD2 3.87Å; W488-H711 AromaticContact CG-NE2 3.87Å; W488-H711 AromaticContact CZ2-CD2 3.86Å; W488-H711 AromaticContact CZ3-CD2 3.87Å; W488-H711 AromaticContact CZ3-NE2 3.99Å; D503-H711 IonicContact OD1-CG 3.5Å; D503-H711 IonicContact OD1-ND1 3.07Å; D503-H711 IonicContact OD2-CE1 2.65Å; D503-H711 PolarHBondContact OD2-CE1 3.2Å; D503-H711 VanDerWaalsContact OD2-CE1 3.27Å; D503-H711 IonicContact OD2-ND1 3.77Å; D503-H711 PolarHBondContact OD2-ND1 2.93Å; T506-H711 HydrophobicContact CG2-CB 4.1Å; T506-H711 PolarHBondContact OG1-O 3.4Å; A508-H711 WeakPolarHBondContact CB-O 3.43Å; S709-H711 PolarHBondContact O-N 3.01Å
712	Y	92.5	Very high	94.4	Very high	3 Å²	3	15.6 Å²	15.6	1%	0.012	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.2	-3.8	-171.5	-66.1	-77	0	0	0	114.8	A502 D503 K671 S709 M710 Q714 R715 F716	A502-Y712 VanDerWaalsContact C-OH 3.22Å; A502-Y712 PolarHBondContact O-OH 3.46Å; D503-Y712 WeakPolarHBondContact OD1-CE2 3.36Å; K671-Y712 HydrophobicContact CB-CD1 4.23Å; K671-Y712 HydrophobicContact CB-CD2 4.34Å; K671-Y712 HydrophobicContact CB-CE1 3.76Å; K671-Y712 HydrophobicContact CB-CE2 3.89Å; K671-Y712 HydrophobicContact CB-CG 4.48Å; K671-Y712 HydrophobicContact CD-CD2 3.87Å; K671-Y712 HydrophobicContact CD-CE2 3.88Å; K671-Y712 HydrophobicContact CD-CG 4.42Å; K671-Y712 HydrophobicContact CG-CD1 4.04Å; K671-Y712 HydrophobicContact CG-CD2 3.78Å; K671-Y712 HydrophobicContact CG-CE1 4.07Å; K671-Y712 HydrophobicContact CG-CE2 3.81Å; K671-Y712 HydrophobicContact CG-CG 3.88Å; K671-Y712 VanDerWaalsContact O-CE1 3.3Å; K671-Y712 WeakPolarHBondContact O-CE1 3.29Å; K671-Y712 PolarHBondContact O-OH 3.47Å; S709-Y712 PolarHBondContact O-N 3.38Å; M710-Y712 VanDerWaalsContact C-N 3.27Å; M710-Y712 PolarHBondContact O-N 3.01Å; Y712-Q714 VanDerWaalsContact C-N 3.26Å; Y712-Q714 PolarHBondContact O-N 3.34Å; Y712-R715 PolarHBondContact O-N 3.02Å; Y712-R715 VanDerWaalsContact O-N 3.07Å; Y712-F716 HydrophobicContact CG-CE2 4.44Å; Y712-F716 PolarHBondContact O-N 2.98Å; Y712-F716 VanDerWaalsContact O-N 3.08Å
713	Q	93.7	Very high	94.4	Very high	30 Å²	30	15.6 Å²	15.6	14%	0.14	8%	0.083	C	C	.	.	H	α-helix	trans	-51	-42.6	-178.3	65.6	-175	3.2	0	0	113.1	Y160 I706 S709 R715 F716 A717	Y160-Q713 HydrophobicContact CD2-CG 4.33Å; Y160-Q713 HydrophobicContact CE2-CG 4.15Å; I706-Q713 HydrophobicContact CG2-CB 4.3Å; S709-Q713 WeakPolarHBondContact O-CB 3.5Å; S709-Q713 PolarHBondContact O-N 3.47Å; Q713-R715 PolarHBondContact O-N 2.75Å; Q713-F716 PolarHBondContact O-N 2.87Å; Q713-A717 WeakPolarHBondContact O-CB 3.49Å; Q713-A717 PolarHBondContact O-N 3.14Å
714	Q	94.8	Very high	94.5	Very high	11 Å²	11	14.7 Å²	14.7	5%	0.051	8%	0.08	C	C	.	.	H	α-helix	trans	-60.3	-46.8	179.4	-74.8	171.3	-39.2	0	0	111.9	Y160 N167 L173 Y712 A717 V718	Y160-Q714 HydrophobicContact CE1-CG 4.15Å; Y160-Q714 WeakPolarHBondContact OH-CG 2.98Å; N167-Q714 PolarHBondContact O-NE2 3.32Å; L173-Q714 HydrophobicContact CD1-CB 3.82Å; L173-Q714 HydrophobicContact CD1-CG 4.02Å; L173-Q714 HydrophobicContact CD2-CB 4Å; Y712-Q714 VanDerWaalsContact C-N 3.26Å; Y712-Q714 PolarHBondContact O-N 3.34Å; Q714-A717 PolarHBondContact O-N 3.16Å; Q714-V718 WeakPolarHBondContact O-CG2 3.46Å; Q714-V718 PolarHBondContact O-N 2.91Å
715	R	96.1	Very high	94.7	Very high	8 Å²	8	16 Å²	16	3%	0.03	8%	0.084	C	C	.	.	H	α-helix	trans	-62.9	-51.1	179.2	-176.2	175	-68.1	178.6	-5.5	111.2	V670 E673 P674 H676 Y712 Q713 A717 V718 I719	V670-R715 HydrophobicContact CG1-CG 4.25Å; V670-R715 PolarHBondContact O-NH1 2.83Å; E673-R715 VanDerWaalsContact O-CZ 3.25Å; E673-R715 PolarHBondContact O-NH1 3.19Å; E673-R715 PolarHBondContact O-NH2 3.28Å; P674-R715 PolarHBondContact O-NH2 3.26Å; H676-R715 VanDerWaalsContact ND1-CB 3.26Å; H676-R715 WeakPolarHBondContact ND1-CB 3.22Å; H676-R715 WeakPolarHBondContact ND1-CG 3.26Å; H676-R715 PolarHBondContact ND1-NE 3.04Å; H676-R715 VanDerWaalsContact ND1-NE 3.14Å; Y712-R715 PolarHBondContact O-N 3.02Å; Y712-R715 VanDerWaalsContact O-N 3.07Å; Q713-R715 PolarHBondContact O-N 2.75Å; R715-A717 VanDerWaalsContact C-N 3.3Å; R715-A717 PolarHBondContact O-N 2.92Å; R715-V718 PolarHBondContact O-N 3.27Å; R715-I719 HydrophobicContact CG-CD1 4.36Å; R715-I719 WeakPolarHBondContact O-CG1 3.47Å; R715-I719 PolarHBondContact O-N 3.36Å
716	F	97.6	Very high	95	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.9	-35.1	-177.7	-70.4	-45.8	0	0	0	112.1	V667 V670 K671 L702 E705 I706 Y712 Q713 I719 L720	V667-F716 HydrophobicContact CG1-CE1 4.16Å; V667-F716 HydrophobicContact CG1-CZ 4.48Å; V670-F716 HydrophobicContact CB-CE1 3.96Å; V670-F716 HydrophobicContact CG1-CD1 4.49Å; V670-F716 HydrophobicContact CG1-CE1 4Å; K671-F716 HydrophobicContact CG-CE2 4.27Å; K671-F716 HydrophobicContact CG-CZ 3.88Å; L702-F716 HydrophobicContact CD2-CB 3.96Å; L702-F716 HydrophobicContact CD2-CD1 3.24Å; L702-F716 HydrophobicContact CD2-CE1 3.91Å; L702-F716 HydrophobicContact CD2-CG 3.87Å; E705-F716 HydrophobicContact CB-CD2 3.67Å; E705-F716 HydrophobicContact CB-CE2 3.66Å; E705-F716 HydrophobicContact CG-CE2 4.08Å; I706-F716 HydrophobicContact CD1-CB 4.02Å; I706-F716 HydrophobicContact CG1-CB 3.58Å; Y712-F716 HydrophobicContact CG-CE2 4.44Å; Y712-F716 PolarHBondContact O-N 2.98Å; Y712-F716 VanDerWaalsContact O-N 3.08Å; Q713-F716 PolarHBondContact O-N 2.87Å; F716-I719 PolarHBondContact O-N 3.41Å; F716-L720 WeakPolarHBondContact O-CB 3.43Å; F716-L720 PolarHBondContact O-N 3.09Å
717	A	97.9	Very high	95.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.1	-40.6	177.3	0	0	0	0	0	112.1	I158 Y160 V162 I706 Q713 Q714 R715 L720 E721	I158-A717 HydrophobicContact CG2-CB 3.74Å; Y160-A717 HydrophobicContact CD1-CB 3.55Å; Y160-A717 HydrophobicContact CE1-CB 4.37Å; Y160-A717 HydrophobicContact CG-CB 4.19Å; V162-A717 HydrophobicContact CG1-CB 3.54Å; V162-A717 WeakPolarHBondContact CG1-O 3.18Å; I706-A717 HydrophobicContact CD1-CB 4.04Å; I706-A717 HydrophobicContact CG1-CB 4.41Å; Q713-A717 WeakPolarHBondContact O-CB 3.49Å; Q713-A717 PolarHBondContact O-N 3.14Å; Q714-A717 PolarHBondContact O-N 3.16Å; R715-A717 VanDerWaalsContact C-N 3.3Å; R715-A717 PolarHBondContact O-N 2.92Å; A717-L720 PolarHBondContact O-N 3.2Å; A717-E721 WeakPolarHBondContact O-CB 3.23Å; A717-E721 PolarHBondContact O-N 2.98Å
718	V	97.9	Very high	95.4	Very high	4 Å²	4	14 Å²	14	2%	0.024	7%	0.069	C	C	.	.	H	α-helix	trans	-63.6	-41.3	174.8	169.7	0	0	0	0	112.1	L173 T176 R177 L180 Q714 R715 L720 A722	L173-V718 HydrophobicContact CD2-CG2 4.08Å; T176-V718 HydrophobicContact CG2-CG1 3.73Å; R177-V718 HydrophobicContact CG-CB 4.32Å; R177-V718 HydrophobicContact CG-CG1 3.66Å; R177-V718 HydrophobicContact CG-CG2 3.83Å; L180-V718 HydrophobicContact CD1-CG1 4.06Å; Q714-V718 WeakPolarHBondContact O-CG2 3.46Å; Q714-V718 PolarHBondContact O-N 2.91Å; R715-V718 PolarHBondContact O-N 3.27Å; V718-L720 VanDerWaalsContact C-N 3.35Å; V718-A722 PolarHBondContact O-N 3.16Å; V718-A722 VanDerWaalsContact O-N 3.12Å
719	I	98.6	Very high	96	Very high	2 Å²	2	18 Å²	18	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-65	-42.8	175.9	-61.6	169.1	0	0	0	110.3	V670 A681 L702 R715 F716 A722 Y723	V670-I719 HydrophobicContact CG1-CD1 3.93Å; A681-I719 HydrophobicContact CB-CD1 3.87Å; A681-I719 HydrophobicContact CB-CG1 4.3Å; L702-I719 HydrophobicContact CD1-CB 4.35Å; L702-I719 HydrophobicContact CD1-CG2 3.85Å; R715-I719 HydrophobicContact CG-CD1 4.36Å; R715-I719 WeakPolarHBondContact O-CG1 3.47Å; R715-I719 PolarHBondContact O-N 3.36Å; F716-I719 PolarHBondContact O-N 3.41Å; I719-A722 PolarHBondContact O-N 2.82Å; I719-Y723 PolarHBondContact O-N 2.9Å
720	L	98.7	Very high	96.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.8	-40.1	-179.5	-170.5	57	0	0	0	111.9	I158 F699 L702 R703 I706 F716 A717 V718 Y723 L724	I158-L720 HydrophobicContact CB-CD2 4.27Å; I158-L720 HydrophobicContact CG1-CB 4.37Å; I158-L720 HydrophobicContact CG1-CD2 3.94Å; I158-L720 HydrophobicContact CG1-CG 3.99Å; I158-L720 HydrophobicContact CG2-CD2 4.26Å; F699-L720 HydrophobicContact CB-CD1 4.32Å; F699-L720 HydrophobicContact CD2-CD1 3.69Å; F699-L720 HydrophobicContact CE2-CD1 4.41Å; F699-L720 HydrophobicContact CG-CD1 4.33Å; L702-L720 HydrophobicContact CB-CB 4.41Å; L702-L720 HydrophobicContact CB-CD1 4.27Å; L702-L720 HydrophobicContact CB-CD2 4.36Å; L702-L720 HydrophobicContact CD1-CB 4.14Å; L702-L720 HydrophobicContact CD1-CD1 4.07Å; R703-L720 HydrophobicContact CB-CD2 4.24Å; I706-L720 HydrophobicContact CD1-CB 4.3Å; I706-L720 HydrophobicContact CD1-CD2 3.72Å; F716-L720 WeakPolarHBondContact O-CB 3.43Å; F716-L720 PolarHBondContact O-N 3.09Å; A717-L720 PolarHBondContact O-N 3.2Å; V718-L720 VanDerWaalsContact C-N 3.35Å; L720-Y723 HydrophobicContact CD1-CD1 4.11Å; L720-Y723 PolarHBondContact O-N 2.83Å; L720-L724 HydrophobicContact CD1-CG 4.4Å; L720-L724 HydrophobicContact CG-CD1 4.18Å; L720-L724 HydrophobicContact CG-CG 4.42Å; L720-L724 WeakPolarHBondContact O-CB 3.29Å; L720-L724 VanDerWaalsContact O-CG 3.31Å; L720-L724 WeakPolarHBondContact O-CG 3.35Å; L720-L724 PolarHBondContact O-N 2.9Å
721	E	98.3	Very high	96.8	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.019	7%	0.067	C	C	.	.	H	α-helix	trans	-58.1	-49.1	172.2	-178.6	-170.8	-159.1	0	0	111	Q151 L154 I158 V162 R177 A717 Y723 L724 R725	Q151-E721 PolarHBondContact NE2-OE1 2.94Å; Q151-E721 PolarHBondContact OE1-OE1 2.84Å; Q151-E721 VanDerWaalsContact OE1-OE1 3.1Å; L154-E721 HydrophobicContact CD1-CG 4.34Å; I158-E721 HydrophobicContact CD1-CB 3.89Å; V162-E721 HydrophobicContact CG1-CB 4.26Å; V162-E721 HydrophobicContact CG2-CB 4.41Å; V162-E721 HydrophobicContact CG2-CG 4.24Å; V162-E721 WeakPolarHBondContact CG2-OE2 3.49Å; R177-E721 IonicContact CZ-OE1 2.64Å; R177-E721 IonicContact CZ-OE2 2.8Å; R177-E721 IonicContact NE-OE1 3.65Å; R177-E721 IonicContact NE-OE2 2.72Å; R177-E721 PolarHBondContact NE-OE2 3.24Å; R177-E721 IonicContact NH2-OE1 2.84Å; R177-E721 PolarHBondContact NH2-OE1 3.26Å; R177-E721 IonicContact NH2-OE2 2.79Å; R177-E721 PolarHBondContact NH2-OE2 3.23Å; A717-E721 WeakPolarHBondContact O-CB 3.23Å; A717-E721 PolarHBondContact O-N 2.98Å; E721-Y723 VanDerWaalsContact C-N 3.25Å; E721-Y723 PolarHBondContact O-N 3.33Å; E721-L724 PolarHBondContact O-N 2.95Å; E721-R725 HydrophobicContact CG-CG 4.39Å; E721-R725 WeakPolarHBondContact O-CB 3.48Å; E721-R725 WeakPolarHBondContact O-CG 3.22Å; E721-R725 PolarHBondContact O-N 3.16Å; E721-R725 IonicContact OE1-CZ 2.9Å; E721-R725 IonicContact OE1-NE 3.47Å; E721-R725 PolarHBondContact OE1-NE 2.82Å; E721-R725 VanDerWaalsContact OE1-NE 3.07Å; E721-R725 IonicContact OE1-NH2 2.7Å; E721-R725 PolarHBondContact OE1-NH2 3.19Å
722	A	98	Very high	97.1	Very high	8 Å²	8	13.2 Å²	13.2	7%	0.066	7%	0.065	C	C	.	.	H	α-helix	trans	-59.2	-39.4	179.5	0	0	0	0	0	111.6	L180 R184 L685 V718 I719	L180-A722 HydrophobicContact CB-CB 3.9Å; L180-A722 HydrophobicContact CD1-CB 3.96Å; R184-A722 WeakPolarHBondContact CD-O 3.26Å; R184-A722 WeakPolarHBondContact CG-O 3.39Å; L685-A722 HydrophobicContact CD1-CB 3.98Å; L685-A722 HydrophobicContact CD2-CB 3.92Å; V718-A722 PolarHBondContact O-N 3.16Å; V718-A722 VanDerWaalsContact O-N 3.12Å; I719-A722 PolarHBondContact O-N 2.82Å
723	Y	98.7	Very high	97.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.6	-49.6	175.1	166.6	-102.5	0	0	0	112.5	L689 G695 F699 I719 L720 E721 R725 G726 C727 M731 F735	L689-Y723 HydrophobicContact CD2-CD2 4Å; L689-Y723 HydrophobicContact CD2-CE2 4.49Å; L689-Y723 HydrophobicContact CG-CD2 4.29Å; G695-Y723 WeakPolarHBondContact CA-OH 3.45Å; G695-Y723 VanDerWaalsContact O-CZ 3.32Å; G695-Y723 PolarHBondContact O-OH 2.93Å; F699-Y723 HydrophobicContact CB-CE1 4.05Å; I719-Y723 PolarHBondContact O-N 2.9Å; L720-Y723 HydrophobicContact CD1-CD1 4.11Å; L720-Y723 PolarHBondContact O-N 2.83Å; E721-Y723 VanDerWaalsContact C-N 3.25Å; E721-Y723 PolarHBondContact O-N 3.33Å; Y723-R725 PolarHBondContact O-N 3.42Å; Y723-G726 CarbonylContact O-C 3.53Å; Y723-G726 PolarHBondContact O-N 3.14Å; Y723-C727 HydrophobicContact CD2-CB 4.46Å; Y723-C727 HydrophobicContact CE1-CB 4.15Å; Y723-C727 HydrophobicContact CE2-CB 3.91Å; Y723-C727 PolarHBondContact O-N 3.5Å; Y723-M731 WeakPolarHBondContact OH-CE 3.45Å; Y723-F735 AromaticContact CE1-CE2 3.78Å; Y723-F735 HydrophobicContact CE1-CE2 3.78Å; Y723-F735 HydrophobicContact CE1-CZ 4.08Å
724	L	98.4	Very high	97.6	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-63.7	-30.6	-178	-70.1	175.7	0	0	0	112.7	L154 L157 I158 F699 L720 E721 G726 C727 L732 F735	L154-L724 HydrophobicContact CD2-CB 3.63Å; L154-L724 HydrophobicContact CD2-CD1 4.13Å; L157-L724 HydrophobicContact CB-CD1 4.01Å; L157-L724 HydrophobicContact CD1-CD1 4.34Å; I158-L724 HydrophobicContact CD1-CD1 4.37Å; I158-L724 HydrophobicContact CG1-CD1 3.78Å; F699-L724 HydrophobicContact CD2-CD2 3.83Å; F699-L724 HydrophobicContact CE2-CD1 4.36Å; F699-L724 HydrophobicContact CE2-CD2 3.96Å; L720-L724 HydrophobicContact CD1-CG 4.4Å; L720-L724 HydrophobicContact CG-CD1 4.18Å; L720-L724 HydrophobicContact CG-CG 4.42Å; L720-L724 WeakPolarHBondContact O-CB 3.29Å; L720-L724 VanDerWaalsContact O-CG 3.31Å; L720-L724 WeakPolarHBondContact O-CG 3.35Å; L720-L724 PolarHBondContact O-N 2.9Å; E721-L724 PolarHBondContact O-N 2.95Å; L724-G726 PolarHBondContact O-N 3.32Å; L724-C727 PolarHBondContact O-SG 3.2Å; L724-C727 VanDerWaalsContact O-SG 3.4Å; L724-L732 HydrophobicContact CB-CD1 4.26Å; L724-L732 HydrophobicContact CD2-CD1 3.98Å; L724-F735 HydrophobicContact CD2-CD2 3.94Å; L724-F735 HydrophobicContact CD2-CE2 4.3Å
725	R	97.2	Very high	97.8	Very high	29 Å²	29	16.2 Å²	16.2	11%	0.109	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-9.4	172.7	-70.6	177.2	172.7	-77.8	-2	113.9	F150 L154 V318 E721 Y723	F150-R725 HydrophobicContact CE1-CG 4.22Å; L154-R725 HydrophobicContact CD1-CG 3.62Å; V318-R725 WeakPolarHBondContact CG1-O 3.41Å; E721-R725 HydrophobicContact CG-CG 4.39Å; E721-R725 WeakPolarHBondContact O-CB 3.48Å; E721-R725 WeakPolarHBondContact O-CG 3.22Å; E721-R725 PolarHBondContact O-N 3.16Å; E721-R725 IonicContact OE1-CZ 2.9Å; E721-R725 IonicContact OE1-NE 3.47Å; E721-R725 PolarHBondContact OE1-NE 2.82Å; E721-R725 VanDerWaalsContact OE1-NE 3.07Å; E721-R725 IonicContact OE1-NH2 2.7Å; E721-R725 PolarHBondContact OE1-NH2 3.19Å; Y723-R725 PolarHBondContact O-N 3.42Å
726	G	97.3	Very high	97.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-8.3	-178.3	0	0	0	0	0	115.4	R191 L689 Y723 L724 G728	R191-G726 PolarHBondContact NH1-O 3.22Å; L689-G726 WeakPolarHBondContact CD2-O 3.1Å; Y723-G726 CarbonylContact O-C 3.53Å; Y723-G726 PolarHBondContact O-N 3.14Å; L724-G726 PolarHBondContact O-N 3.32Å; G726-G728 PolarHBondContact O-N 3.11Å
727	C	97.6	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-72.2	-12.6	-176.1	67.2	0	0	0	0	114	Y196 Y723 L724 M731	Y196-C727 WeakPolarHBondContact CE1-O 3.34Å; Y196-C727 PolarHBondContact OH-O 3.03Å; Y723-C727 HydrophobicContact CD2-CB 4.46Å; Y723-C727 HydrophobicContact CE1-CB 4.15Å; Y723-C727 HydrophobicContact CE2-CB 3.91Å; Y723-C727 PolarHBondContact O-N 3.5Å; L724-C727 PolarHBondContact O-SG 3.2Å; L724-C727 VanDerWaalsContact O-SG 3.4Å; C727-M731 HydrophobicContact CB-CB 4.07Å; C727-M731 HydrophobicContact CB-CE 4.32Å
728	G	97.1	Very high	97.9	Very high	5 Å²	5	23.1 Å²	23.1	5%	0.052	11%	0.112	C	C	.	.			trans	86.7	156.6	-178.7	0	0	0	0	0	113	D316 G726 A730 M731 L732	D316-G728 WeakPolarHBondContact O-CA 3.45Å; G726-G728 PolarHBondContact O-N 3.11Å; G728-A730 PolarHBondContact O-N 2.82Å; G728-M731 PolarHBondContact O-N 3.24Å; G728-L732 PolarHBondContact O-N 3.36Å; G728-L732 VanDerWaalsContact O-N 3.13Å
729	K	97.1	Very high	97.9	Very high	121 Å²	121	23.2 Å²	23.2	53%	0.526	11%	0.113	S	C	.	.	H	α-helix	trans	-61	-41.6	-171.9	-176.1	-178.1	179.6	-176.7	0	113.6	E317 L732 Q733	E317-K729 PolarHBondContact O-N 2.93Å; K729-L732 PolarHBondContact O-N 3.18Å; K729-Q733 WeakPolarHBondContact O-CG 3.5Å; K729-Q733 PolarHBondContact O-N 2.97Å
730	A	96.8	Very high	97.8	Very high	17 Å²	17	27.1 Å²	27.1	14%	0.14	13%	0.131	C	C	.	.	H	α-helix	trans	-59.3	-48.4	179.1	0	0	0	0	0	112.4	E315 G728 L732 Q733 D734	E315-A730 HydrophobicContact CB-CB 4.25Å; E315-A730 WeakPolarHBondContact O-CB 3.43Å; E315-A730 PolarHBondContact O-N 3.35Å; G728-A730 PolarHBondContact O-N 2.82Å; A730-L732 PolarHBondContact O-N 3.33Å; A730-Q733 PolarHBondContact O-N 2.91Å; A730-D734 PolarHBondContact O-N 3.36Å
731	M	97.8	Very high	97.8	Very high	11 Å²	11	27.1 Å²	27.1	5%	0.054	13%	0.131	C	C	.	.	H	α-helix	trans	-62.6	-41.9	176.8	-76.7	-95.8	-81.9	0	0	112	K692 Y723 C727 G728 Q733 D734 F735	K692-M731 HydrophobicContact CB-CE 3.97Å; K692-M731 HydrophobicContact CB-SD 3.89Å; K692-M731 HydrophobicContact CD-CG 3.96Å; K692-M731 HydrophobicContact CD-SD 3.9Å; K692-M731 HydrophobicContact CG-CE 3.93Å; K692-M731 HydrophobicContact CG-CG 4.18Å; K692-M731 HydrophobicContact CG-SD 3.81Å; Y723-M731 WeakPolarHBondContact OH-CE 3.45Å; C727-M731 HydrophobicContact CB-CB 4.07Å; C727-M731 HydrophobicContact CB-CE 4.32Å; G728-M731 PolarHBondContact O-N 3.24Å; M731-Q733 VanDerWaalsContact C-N 3.33Å; M731-Q733 PolarHBondContact O-N 2.76Å; M731-D734 PolarHBondContact O-N 3.43Å; M731-F735 HydrophobicContact CB-CE2 4.32Å; M731-F735 HydrophobicContact CE-CE2 4.38Å; M731-F735 HydrophobicContact CE-CZ 4.41Å; M731-F735 WeakPolarHBondContact O-CD2 3.44Å; M731-F735 PolarHBondContact O-N 3.21Å
732	L	97.8	Very high	97.7	Very high	20 Å²	20	27.1 Å²	27.1	11%	0.105	13%	0.131	C	C	.	.	H	α-helix	trans	-59.5	-45	177.8	-164.7	71	0	0	0	111.6	F150 L154 L157 L724 G728 K729 A730 D734 F735 M736	F150-L732 HydrophobicContact CE2-CD2 3.72Å; F150-L732 HydrophobicContact CZ-CD2 4.4Å; L154-L732 HydrophobicContact CD2-CD1 4.06Å; L157-L732 HydrophobicContact CD1-CD1 3.44Å; L157-L732 VanDerWaalsContact CD1-CD1 3.44Å; L157-L732 HydrophobicContact CD1-CG 4.11Å; L724-L732 HydrophobicContact CB-CD1 4.26Å; L724-L732 HydrophobicContact CD2-CD1 3.98Å; G728-L732 PolarHBondContact O-N 3.36Å; G728-L732 VanDerWaalsContact O-N 3.13Å; K729-L732 PolarHBondContact O-N 3.18Å; A730-L732 PolarHBondContact O-N 3.33Å; L732-D734 PolarHBondContact O-N 2.79Å; L732-F735 PolarHBondContact O-N 3.41Å; L732-M736 VanDerWaalsContact O-CG 3.31Å; L732-M736 WeakPolarHBondContact O-CG 3.44Å; L732-M736 PolarHBondContact O-N 3.07Å
733	Q	97.3	Very high	97.6	Very high	89 Å²	89	31.9 Å²	31.9	42%	0.416	15%	0.152	S	C	.	.	H	α-helix	trans	-64.2	-39	176.3	-70.3	178.4	-2.4	0	0	112.5	K729 A730 M731 M736 K737	K729-Q733 WeakPolarHBondContact O-CG 3.5Å; K729-Q733 PolarHBondContact O-N 2.97Å; A730-Q733 PolarHBondContact O-N 2.91Å; M731-Q733 VanDerWaalsContact C-N 3.33Å; M731-Q733 PolarHBondContact O-N 2.76Å; Q733-M736 PolarHBondContact O-N 2.79Å; Q733-K737 WeakPolarHBondContact O-CG 3.22Å; Q733-K737 PolarHBondContact O-N 3Å
734	D	98	Very high	97.5	Very high	17 Å²	17	33.2 Å²	33.2	9%	0.091	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-40.5	175.7	-80.6	-29.5	0	0	0	111.4	A730 M731 L732 K737 Q738 R787 R795	A730-D734 PolarHBondContact O-N 3.36Å; M731-D734 PolarHBondContact O-N 3.43Å; L732-D734 PolarHBondContact O-N 2.79Å; D734-K737 PolarHBondContact O-N 3.06Å; D734-Q738 VanDerWaalsContact O-CG 3.22Å; D734-Q738 WeakPolarHBondContact O-CG 3.35Å; D734-Q738 PolarHBondContact O-N 3.15Å; D734-Q738 PolarHBondContact O-NE2 3.42Å; D734-R787 WeakPolarHBondContact OD2-CD 3.42Å; D734-R787 IonicContact OD2-CZ 2.7Å; D734-R787 IonicContact OD2-NE 3.76Å; D734-R787 PolarHBondContact OD2-NE 3.2Å; D734-R787 IonicContact OD2-NH2 2.69Å; D734-R795 IonicContact OD1-CZ 3.52Å; D734-R795 IonicContact OD1-NH1 3.85Å; D734-R795 IonicContact OD1-NH2 3.5Å; D734-R795 PolarHBondContact OD1-NH2 3.48Å; D734-R795 IonicContact OD2-NH2 3.59Å
735	F	98.7	Very high	97.4	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-65.4	-41.9	174	-68.2	-52.8	0	0	0	112.4	L157 H696 F699 Y723 L724 M731 L732 K737 Q738 V739	L157-F735 HydrophobicContact CD2-CB 4.12Å; H696-F735 AromaticContact ND1-CE1 3.82Å; F699-F735 HydrophobicContact CB-CD1 4.3Å; F699-F735 HydrophobicContact CB-CE1 3.59Å; F699-F735 HydrophobicContact CB-CE2 4.32Å; F699-F735 HydrophobicContact CB-CZ 3.6Å; F699-F735 AromaticContact CD1-CD1 3.39Å; F699-F735 HydrophobicContact CD1-CD1 3.39Å; F699-F735 AromaticContact CD1-CE1 3.43Å; F699-F735 HydrophobicContact CD1-CE1 3.43Å; F699-F735 VanDerWaalsContact CD1-CE1 3.43Å; F699-F735 HydrophobicContact CD1-CG 4.2Å; F699-F735 HydrophobicContact CD1-CZ 4.26Å; F699-F735 AromaticContact CD2-CD1 3.95Å; F699-F735 HydrophobicContact CD2-CD1 3.95Å; F699-F735 HydrophobicContact CD2-CD2 4.1Å; F699-F735 HydrophobicContact CD2-CE1 4.06Å; F699-F735 HydrophobicContact CD2-CE2 4.2Å; F699-F735 AromaticContact CD2-CG 3.99Å; F699-F735 HydrophobicContact CD2-CG 3.99Å; F699-F735 HydrophobicContact CD2-CZ 4.18Å; F699-F735 HydrophobicContact CE1-CB 4.42Å; F699-F735 AromaticContact CE1-CD1 3.57Å; F699-F735 HydrophobicContact CE1-CD1 3.57Å; F699-F735 HydrophobicContact CE1-CE1 4.12Å; F699-F735 HydrophobicContact CE1-CG 4.16Å; F699-F735 HydrophobicContact CE2-CB 4.17Å; F699-F735 HydrophobicContact CE2-CD1 4.13Å; F699-F735 HydrophobicContact CE2-CD2 4.35Å; F699-F735 AromaticContact CE2-CG 3.97Å; F699-F735 HydrophobicContact CE2-CG 3.97Å; F699-F735 AromaticContact CG-CD1 3.61Å; F699-F735 HydrophobicContact CG-CD1 3.61Å; F699-F735 HydrophobicContact CG-CD2 4.42Å; F699-F735 AromaticContact CG-CE1 3.41Å; F699-F735 HydrophobicContact CG-CE1 3.41Å; F699-F735 VanDerWaalsContact CG-CE1 3.41Å; F699-F735 HydrophobicContact CG-CE2 4.26Å; F699-F735 HydrophobicContact CG-CG 4.14Å; F699-F735 AromaticContact CG-CZ 3.77Å; F699-F735 HydrophobicContact CG-CZ 3.77Å; F699-F735 HydrophobicContact CZ-CB 4.03Å; F699-F735 AromaticContact CZ-CD1 3.94Å; F699-F735 HydrophobicContact CZ-CD1 3.94Å; F699-F735 HydrophobicContact CZ-CG 4.05Å; Y723-F735 AromaticContact CE1-CE2 3.78Å; Y723-F735 HydrophobicContact CE1-CE2 3.78Å; Y723-F735 HydrophobicContact CE1-CZ 4.08Å; L724-F735 HydrophobicContact CD2-CD2 3.94Å; L724-F735 HydrophobicContact CD2-CE2 4.3Å; M731-F735 HydrophobicContact CB-CE2 4.32Å; M731-F735 HydrophobicContact CE-CE2 4.38Å; M731-F735 HydrophobicContact CE-CZ 4.41Å; M731-F735 WeakPolarHBondContact O-CD2 3.44Å; M731-F735 PolarHBondContact O-N 3.21Å; L732-F735 PolarHBondContact O-N 3.41Å; F735-K737 VanDerWaalsContact C-N 3.34Å; F735-K737 PolarHBondContact O-N 3.4Å; F735-Q738 PolarHBondContact O-N 3.22Å; F735-V739 WeakPolarHBondContact O-CB 3.5Å; F735-V739 WeakPolarHBondContact O-CG2 3.43Å; F735-V739 PolarHBondContact O-N 2.74Å
736	M	98	Very high	97.3	Very high	80 Å²	80	35 Å²	35	39%	0.394	17%	0.168	S	C	.	.	H	α-helix	trans	-57.7	-46.6	176.6	-70	173.8	78.2	0	0	111.5	L157 L732 Q733 Q738 Q740	L157-M736 HydrophobicContact CD1-CG 4Å; L157-M736 HydrophobicContact CD2-CB 4.33Å; L157-M736 HydrophobicContact CD2-CG 3.78Å; L157-M736 HydrophobicContact CG-CG 4.18Å; L732-M736 VanDerWaalsContact O-CG 3.31Å; L732-M736 WeakPolarHBondContact O-CG 3.44Å; L732-M736 PolarHBondContact O-N 3.07Å; Q733-M736 PolarHBondContact O-N 2.79Å; M736-Q738 PolarHBondContact O-N 3.19Å; M736-Q740 VanDerWaalsContact O-CB 3.28Å; M736-Q740 WeakPolarHBondContact O-CB 3.38Å; M736-Q740 PolarHBondContact O-N 3.03Å
737	K	98	Very high	97.2	Very high	72 Å²	72	41 Å²	41	31%	0.313	19%	0.194	S	C	.	.	H	α-helix	trans	-61.4	-45.3	176.5	-69.7	172.2	-176	174.3	0	111.5	Q733 D734 F735 Q740 V741 P783 F786	Q733-K737 WeakPolarHBondContact O-CG 3.22Å; Q733-K737 PolarHBondContact O-N 3Å; D734-K737 PolarHBondContact O-N 3.06Å; F735-K737 VanDerWaalsContact C-N 3.34Å; F735-K737 PolarHBondContact O-N 3.4Å; K737-Q740 PolarHBondContact O-N 3.5Å; K737-V741 WeakPolarHBondContact O-CG2 3.48Å; K737-V741 PolarHBondContact O-N 2.89Å; K737-P783 HydrophobicContact CB-CB 4.32Å; K737-P783 HydrophobicContact CB-CG 4.21Å; K737-P783 HydrophobicContact CG-CB 4.25Å; K737-P783 HydrophobicContact CG-CG 4.37Å; K737-F786 HydrophobicContact CB-CB 4.24Å
738	Q	98.4	Very high	97	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-49.5	179.6	-70	167.5	49	0	0	112	H696 W700 D734 F735 M736 Q740 V741 I742 F786 R787	H696-Q738 PolarHBondContact CE1-OE1 2.94Å; H696-Q738 VanDerWaalsContact CE1-OE1 3.29Å; W700-Q738 HydrophobicContact CH2-CB 4.32Å; W700-Q738 HydrophobicContact CZ2-CB 3.72Å; W700-Q738 HydrophobicContact CZ2-CG 4.47Å; D734-Q738 VanDerWaalsContact O-CG 3.22Å; D734-Q738 WeakPolarHBondContact O-CG 3.35Å; D734-Q738 PolarHBondContact O-N 3.15Å; D734-Q738 PolarHBondContact O-NE2 3.42Å; F735-Q738 PolarHBondContact O-N 3.22Å; M736-Q738 PolarHBondContact O-N 3.19Å; Q738-Q740 VanDerWaalsContact C-N 3.32Å; Q738-Q740 PolarHBondContact O-N 3.23Å; Q738-V741 PolarHBondContact O-N 2.92Å; Q738-I742 WeakPolarHBondContact O-CD1 3.23Å; Q738-I742 WeakPolarHBondContact O-CG1 3.26Å; Q738-I742 PolarHBondContact O-N 2.92Å; Q738-F786 HydrophobicContact CG-CD2 4.33Å; Q738-R787 WeakPolarHBondContact CG-O 3.4Å
739	V	98.1	Very high	96.8	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-59.6	-44	178.6	171.5	0	0	0	0	110.6	L157 F699 W700 F735 V741 I742 E743	L157-V739 HydrophobicContact CD2-CB 4.36Å; L157-V739 HydrophobicContact CD2-CG2 4.03Å; F699-V739 HydrophobicContact CE1-CG2 4.37Å; F699-V739 HydrophobicContact CZ-CG2 4.01Å; W700-V739 HydrophobicContact CH2-CG2 4.02Å; F735-V739 WeakPolarHBondContact O-CB 3.5Å; F735-V739 WeakPolarHBondContact O-CG2 3.43Å; F735-V739 PolarHBondContact O-N 2.74Å; V739-V741 PolarHBondContact O-N 3.27Å; V739-I742 PolarHBondContact O-N 3.26Å; V739-I742 VanDerWaalsContact O-N 3.16Å; V739-E743 HydrophobicContact CG1-CG 4.36Å; V739-E743 WeakPolarHBondContact O-CG 3.27Å; V739-E743 PolarHBondContact O-N 3.44Å
740	Q	97.1	Very high	96.6	Very high	84 Å²	84	38.7 Å²	38.7	39%	0.393	19%	0.185	S	C	.	.	H	α-helix	trans	-57.8	-45.9	175.5	-176.3	-177.4	5.6	0	0	112.3	M736 K737 Q738 I742 E743 L744 K781 P783	M736-Q740 VanDerWaalsContact O-CB 3.28Å; M736-Q740 WeakPolarHBondContact O-CB 3.38Å; M736-Q740 PolarHBondContact O-N 3.03Å; K737-Q740 PolarHBondContact O-N 3.5Å; Q738-Q740 VanDerWaalsContact C-N 3.32Å; Q738-Q740 PolarHBondContact O-N 3.23Å; Q740-I742 VanDerWaalsContact C-N 3.33Å; Q740-I742 PolarHBondContact O-N 2.76Å; Q740-E743 PolarHBondContact O-N 3.49Å; Q740-L744 HydrophobicContact CG-CD1 4.15Å; Q740-L744 WeakPolarHBondContact O-CB 3.24Å; Q740-L744 VanDerWaalsContact O-CG 3.24Å; Q740-L744 WeakPolarHBondContact O-CG 3.34Å; Q740-L744 PolarHBondContact O-N 3.24Å; Q740-K781 PolarHBondContact NE2-O 3.42Å; Q740-P783 HydrophobicContact CG-CG 4.49Å
741	V	97.8	Very high	96.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-45.4	176.1	172.7	0	0	0	0	110.9	K737 Q738 V739 E743 L744 L745 L782 P783 F786	K737-V741 WeakPolarHBondContact O-CG2 3.48Å; K737-V741 PolarHBondContact O-N 2.89Å; Q738-V741 PolarHBondContact O-N 2.92Å; V739-V741 PolarHBondContact O-N 3.27Å; V741-E743 PolarHBondContact O-N 3.04Å; V741-L744 PolarHBondContact O-N 2.98Å; V741-L745 HydrophobicContact CG1-CD1 3.76Å; V741-L745 HydrophobicContact CG1-CG 4.17Å; V741-L745 WeakPolarHBondContact O-CB 3.27Å; V741-L745 VanDerWaalsContact O-CG 3.29Å; V741-L745 WeakPolarHBondContact O-CG 3.45Å; V741-L745 PolarHBondContact O-N 3.5Å; V741-L782 HydrophobicContact CB-CD1 4.41Å; V741-L782 HydrophobicContact CG1-CD1 4.26Å; V741-L782 HydrophobicContact CG2-CD1 3.8Å; V741-P783 HydrophobicContact CG2-CG 4Å; V741-F786 HydrophobicContact CG1-CE1 4.17Å; V741-F786 HydrophobicContact CG1-CE2 4.21Å; V741-F786 HydrophobicContact CG1-CZ 3.97Å; V741-F786 HydrophobicContact CG2-CB 4.42Å; V741-F786 HydrophobicContact CG2-CD1 3.81Å; V741-F786 HydrophobicContact CG2-CD2 4.34Å; V741-F786 HydrophobicContact CG2-CE1 4.14Å; V741-F786 HydrophobicContact CG2-CG 3.93Å
742	I	97.1	Very high	95.8	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.015	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-44.7	-178.8	-73.2	154.2	0	0	0	111.4	W700 Q738 V739 Q740 L745 H746 P789 F835 T875 I879 M881	W700-I742 HydrophobicContact CH2-CD1 3.13Å; W700-I742 HydrophobicContact CZ2-CD1 3.88Å; W700-I742 HydrophobicContact CZ3-CD1 3.61Å; Q738-I742 WeakPolarHBondContact O-CD1 3.23Å; Q738-I742 WeakPolarHBondContact O-CG1 3.26Å; Q738-I742 PolarHBondContact O-N 2.92Å; V739-I742 PolarHBondContact O-N 3.26Å; V739-I742 VanDerWaalsContact O-N 3.16Å; Q740-I742 VanDerWaalsContact C-N 3.33Å; Q740-I742 PolarHBondContact O-N 2.76Å; I742-L745 PolarHBondContact O-N 3.29Å; I742-H746 VanDerWaalsContact O-CB 3.26Å; I742-H746 WeakPolarHBondContact O-CB 3.49Å; I742-H746 PolarHBondContact O-N 2.91Å; I742-P789 HydrophobicContact CD1-CG 4.42Å; I742-F835 HydrophobicContact CG2-CE2 4.39Å; I742-T875 HydrophobicContact CD1-CG2 3.75Å; I742-T875 HydrophobicContact CG1-CG2 4.37Å; I742-I879 HydrophobicContact CG2-CD1 3.85Å; I742-M881 HydrophobicContact CG1-CE 3.72Å
743	E	96.1	Very high	95.2	Very high	109 Å²	109	41.9 Å²	41.9	51%	0.509	20%	0.196	S	C	.	.	H	α-helix	trans	-64.5	-42.3	178.3	-72.1	178.2	173.2	0	0	112.3	V739 Q740 V741 H746 K747	V739-E743 HydrophobicContact CG1-CG 4.36Å; V739-E743 WeakPolarHBondContact O-CG 3.27Å; V739-E743 PolarHBondContact O-N 3.44Å; Q740-E743 PolarHBondContact O-N 3.49Å; V741-E743 PolarHBondContact O-N 3.04Å; E743-H746 PolarHBondContact O-N 3.45Å; E743-K747 WeakPolarHBondContact O-CB 3.46Å; E743-K747 PolarHBondContact O-N 2.84Å
744	L	96.4	Very high	94.6	Very high	28 Å²	28	41.7 Å²	41.7	15%	0.147	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-45.1	176	-69.8	175.1	0	0	0	111.5	Q740 V741 K747 V748 L777 K781 L782	Q740-L744 HydrophobicContact CG-CD1 4.15Å; Q740-L744 WeakPolarHBondContact O-CB 3.24Å; Q740-L744 VanDerWaalsContact O-CG 3.24Å; Q740-L744 WeakPolarHBondContact O-CG 3.34Å; Q740-L744 PolarHBondContact O-N 3.24Å; V741-L744 PolarHBondContact O-N 2.98Å; L744-K747 PolarHBondContact O-N 3.42Å; L744-V748 WeakPolarHBondContact O-CG2 3.26Å; L744-V748 PolarHBondContact O-N 2.95Å; L744-L777 HydrophobicContact CB-CD1 4.28Å; L744-L777 HydrophobicContact CD2-CD2 4.05Å; L744-K781 HydrophobicContact CD1-CB 4.23Å; L744-L782 HydrophobicContact CD1-CD1 4.27Å
745	L	96.2	Very high	93.6	Very high	3 Å²	3	44 Å²	44	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-66.8	-37.2	177	-70.8	179.1	0	0	0	112.3	V741 I742 V748 T749 L774 L816 F835 M881	V741-L745 HydrophobicContact CG1-CD1 3.76Å; V741-L745 HydrophobicContact CG1-CG 4.17Å; V741-L745 WeakPolarHBondContact O-CB 3.27Å; V741-L745 VanDerWaalsContact O-CG 3.29Å; V741-L745 WeakPolarHBondContact O-CG 3.45Å; V741-L745 PolarHBondContact O-N 3.5Å; I742-L745 PolarHBondContact O-N 3.29Å; L745-V748 PolarHBondContact O-N 3.43Å; L745-T749 WeakPolarHBondContact O-CB 3.34Å; L745-T749 PolarHBondContact O-N 2.92Å; L745-T749 PolarHBondContact O-OG1 3.05Å; L745-L774 HydrophobicContact CD2-CD2 4.32Å; L745-L816 HydrophobicContact CD1-CD1 3.6Å; L745-L816 HydrophobicContact CD2-CD1 3.68Å; L745-L816 HydrophobicContact CG-CD1 4.29Å; L745-F835 HydrophobicContact CB-CD1 4.19Å; L745-F835 HydrophobicContact CB-CD2 4.03Å; L745-F835 HydrophobicContact CB-CE1 4.13Å; L745-F835 HydrophobicContact CB-CE2 3.96Å; L745-F835 HydrophobicContact CB-CG 4.14Å; L745-F835 HydrophobicContact CB-CZ 4.01Å; L745-F835 HydrophobicContact CD1-CB 4.49Å; L745-F835 HydrophobicContact CD1-CD2 3.98Å; L745-F835 HydrophobicContact CD1-CG 4.28Å; L745-M881 HydrophobicContact CD1-CE 3.97Å
746	H	95.5	Very high	92.3	Very high	67 Å²	67	44.4 Å²	44.4	31%	0.31	23%	0.229	S	C	.	.	H	α-helix	trans	-60.3	-48.6	173.6	179.7	-155.9	0	0	0	110.6	I742 E743 V748 T749 M750 F835	I742-H746 VanDerWaalsContact O-CB 3.26Å; I742-H746 WeakPolarHBondContact O-CB 3.49Å; I742-H746 PolarHBondContact O-N 2.91Å; E743-H746 PolarHBondContact O-N 3.45Å; H746-V748 PolarHBondContact O-N 2.84Å; H746-T749 WeakPolarHBondContact O-CB 3.41Å; H746-T749 PolarHBondContact O-N 2.64Å; H746-T749 VanDerWaalsContact O-N 3.16Å; H746-M750 PolarHBondContact O-N 2.85Å; H746-F835 HydrophobicContact CB-CZ 4.08Å
747	K	94.8	Very high	90.6	Very high	126 Å²	126	44.4 Å²	44.4	55%	0.548	24%	0.242	S	C	.	.	H	α-helix	trans	-58.4	-47.4	176.4	-176.4	175.1	-179.2	171.1	0	112.3	E743 L744 T749 M750 E751	E743-K747 WeakPolarHBondContact O-CB 3.46Å; E743-K747 PolarHBondContact O-N 2.84Å; L744-K747 PolarHBondContact O-N 3.42Å; K747-T749 VanDerWaalsContact C-N 3.3Å; K747-T749 PolarHBondContact O-N 2.94Å; K747-M750 PolarHBondContact O-N 3.31Å; K747-E751 WeakPolarHBondContact CE-OE1 3.33Å; K747-E751 WeakPolarHBondContact O-CG 3.47Å; K747-E751 PolarHBondContact O-N 3.25Å
748	V	94.1	Very high	88.3	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-45	175.8	169.8	0	0	0	0	110.9	L744 L745 H746 M750 E751 I752 L770 L777 L814	L744-V748 WeakPolarHBondContact O-CG2 3.26Å; L744-V748 PolarHBondContact O-N 2.95Å; L745-V748 PolarHBondContact O-N 3.43Å; H746-V748 PolarHBondContact O-N 2.84Å; V748-M750 VanDerWaalsContact C-N 3.31Å; V748-M750 PolarHBondContact O-N 3.25Å; V748-E751 PolarHBondContact O-N 3.15Å; V748-I752 HydrophobicContact CG1-CG1 4.22Å; V748-I752 WeakPolarHBondContact O-CB 3.19Å; V748-I752 VanDerWaalsContact O-CG1 3.27Å; V748-I752 WeakPolarHBondContact O-CG1 3.41Å; V748-I752 PolarHBondContact O-N 3.45Å; V748-L770 HydrophobicContact CG1-CD1 3.68Å; V748-L777 HydrophobicContact CG2-CD1 3.43Å; V748-L777 VanDerWaalsContact CG2-CD1 3.43Å; V748-L814 HydrophobicContact CG1-CD1 4.34Å
749	T	92.7	Very high	86.1	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-62.3	-40.8	-179.6	-55.9	0	0	0	0	111.5	L745 H746 K747 I752 K753 L814 F835 H837	L745-T749 WeakPolarHBondContact O-CB 3.34Å; L745-T749 PolarHBondContact O-N 2.92Å; L745-T749 PolarHBondContact O-OG1 3.05Å; H746-T749 WeakPolarHBondContact O-CB 3.41Å; H746-T749 PolarHBondContact O-N 2.64Å; H746-T749 VanDerWaalsContact O-N 3.16Å; K747-T749 VanDerWaalsContact C-N 3.3Å; K747-T749 PolarHBondContact O-N 2.94Å; T749-I752 PolarHBondContact O-N 3.21Å; T749-K753 HydrophobicContact CG2-CD 4.33Å; T749-K753 WeakPolarHBondContact O-CB 3.43Å; T749-K753 WeakPolarHBondContact O-CG 3.31Å; T749-K753 PolarHBondContact O-N 3.32Å; T749-L814 VanDerWaalsContact OG1-CD1 3.22Å; T749-L814 WeakPolarHBondContact OG1-CD1 3.47Å; T749-F835 WeakPolarHBondContact OG1-CD1 3.43Å; T749-F835 WeakPolarHBondContact OG1-CE1 3.41Å; T749-H837 HydrophobicContact CG2-CB 3.68Å
750	M	91.5	Very high	83.9	Confident	71 Å²	71	66.4 Å²	66.4	35%	0.35	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-46.9	176.2	-75.4	-47.7	-42.5	0	0	112.4	H746 K747 V748 I752 K753 S754 H837	H746-M750 PolarHBondContact O-N 2.85Å; K747-M750 PolarHBondContact O-N 3.31Å; V748-M750 VanDerWaalsContact C-N 3.31Å; V748-M750 PolarHBondContact O-N 3.25Å; M750-I752 VanDerWaalsContact C-N 3.34Å; M750-I752 PolarHBondContact O-N 2.88Å; M750-K753 PolarHBondContact O-N 3.49Å; M750-S754 PolarHBondContact O-N 3.29Å; M750-S754 PolarHBondContact O-OG 3.31Å; M750-S754 VanDerWaalsContact O-OG 3.14Å; M750-H837 PolarHBondContact SD-CE1 2.84Å
751	E	90.3	Very high	82.3	Confident	70 Å²	70	68.2 Å²	68.2	33%	0.327	35%	0.348	S	S	.	.	H	α-helix	trans	-61.6	-41	178.3	-68.2	172.3	-176.4	0	0	112	K747 V748 S754 A755 K773	K747-E751 WeakPolarHBondContact CE-OE1 3.33Å; K747-E751 WeakPolarHBondContact O-CG 3.47Å; K747-E751 PolarHBondContact O-N 3.25Å; V748-E751 PolarHBondContact O-N 3.15Å; E751-S754 PolarHBondContact O-N 2.78Å; E751-A755 WeakPolarHBondContact O-CB 3.43Å; E751-A755 PolarHBondContact O-N 3.09Å; E751-K773 WeakPolarHBondContact OE2-CE 3.49Å; E751-K773 IonicContact OE2-NZ 2.63Å; E751-K773 PolarHBondContact OE2-NZ 3.27Å
752	I	88.2	Confident	81.1	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-67.2	-38.8	176.7	-68.4	-65.4	0	0	0	111.8	V748 T749 M750 A755 S756 V766 Q769 L770 K773 V806	V748-I752 HydrophobicContact CG1-CG1 4.22Å; V748-I752 WeakPolarHBondContact O-CB 3.19Å; V748-I752 VanDerWaalsContact O-CG1 3.27Å; V748-I752 WeakPolarHBondContact O-CG1 3.41Å; V748-I752 PolarHBondContact O-N 3.45Å; T749-I752 PolarHBondContact O-N 3.21Å; M750-I752 VanDerWaalsContact C-N 3.34Å; M750-I752 PolarHBondContact O-N 2.88Å; I752-A755 PolarHBondContact O-N 3.09Å; I752-S756 WeakPolarHBondContact O-CB 3.18Å; I752-S756 PolarHBondContact O-N 3.19Å; I752-S756 VanDerWaalsContact O-N 3.17Å; I752-S756 PolarHBondContact O-OG 3.49Å; I752-V766 HydrophobicContact CG2-CG1 3.82Å; I752-Q769 HydrophobicContact CD1-CB 4.25Å; I752-L770 HydrophobicContact CD1-CB 4.04Å; I752-L770 HydrophobicContact CG1-CD1 4.35Å; I752-K773 HydrophobicContact CD1-CD 4.39Å; I752-V806 HydrophobicContact CG2-CG2 4.09Å
753	K	85.6	Confident	80.2	Confident	42 Å²	42	72.1 Å²	72.1	18%	0.183	37%	0.372	C	S	.	.	H	α-helix	trans	-65.3	-44	175.8	-77.9	-175.5	178.2	-167.6	0	111.5	T749 M750 S756 A757 K811 H837	T749-K753 HydrophobicContact CG2-CD 4.33Å; T749-K753 WeakPolarHBondContact O-CB 3.43Å; T749-K753 WeakPolarHBondContact O-CG 3.31Å; T749-K753 PolarHBondContact O-N 3.32Å; M750-K753 PolarHBondContact O-N 3.49Å; K753-S756 PolarHBondContact O-N 3.24Å; K753-S756 PolarHBondContact O-OG 3.15Å; K753-A757 PolarHBondContact O-N 2.66Å; K753-K811 WeakPolarHBondContact CE-O 3.44Å; K753-K811 PolarHBondContact NZ-O 2.72Å; K753-H837 WeakPolarHBondContact CE-ND1 3.43Å; K753-H837 PolarHBondContact NZ-ND1 3.13Å; K753-H837 PolarHBondContact NZ-O 3.1Å
754	S	83.3	Confident	79.6	Confident	86 Å²	86	71.4 Å²	71.4	60%	0.601	38%	0.379	S	S	*	.	H	α-helix	trans	-62.2	-42.2	175.7	-60.4	0	0	0	0	112.3	M750 E751 S756	M750-S754 PolarHBondContact O-N 3.29Å; M750-S754 PolarHBondContact O-OG 3.31Å; M750-S754 VanDerWaalsContact O-OG 3.14Å; E751-S754 PolarHBondContact O-N 2.78Å; S754-S756 PolarHBondContact O-N 3.18Å
755	A	77.4	Confident	79.1	Confident	64 Å²	64	76.3 Å²	76.3	53%	0.529	40%	0.401	S	S	.	.	H	α-helix	trans	-70.7	-17	179.3	0	0	0	0	0	114.2	E751 I752	E751-A755 WeakPolarHBondContact O-CB 3.43Å; E751-A755 PolarHBondContact O-N 3.09Å; I752-A755 PolarHBondContact O-N 3.09Å
756	S	72.1	Confident	78.6	Confident	11 Å²	11	76.7 Å²	76.7	8%	0.077	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	12.2	-175.8	66.6	0	0	0	0	113.5	I752 K753 S754 E758 K759 K812	I752-S756 WeakPolarHBondContact O-CB 3.18Å; I752-S756 PolarHBondContact O-N 3.19Å; I752-S756 VanDerWaalsContact O-N 3.17Å; I752-S756 PolarHBondContact O-OG 3.49Å; K753-S756 PolarHBondContact O-N 3.24Å; K753-S756 PolarHBondContact O-OG 3.15Å; S754-S756 PolarHBondContact O-N 3.18Å; S756-E758 PolarHBondContact O-N 2.62Å; S756-E758 VanDerWaalsContact O-N 3.11Å; S756-K759 PolarHBondContact O-N 2.99Å; S756-K812 VanDerWaalsContact CB-NZ 3.34Å; S756-K812 PolarHBondContact O-NZ 3.14Å; S756-K812 PolarHBondContact OG-NZ 3.15Å
757	A	61.1	Low	78.3	Confident	80 Å²	80	75.5 Å²	75.5	66%	0.661	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.1	-169.9	0	0	0	0	0	114.8	K753	K753-A757 PolarHBondContact O-N 2.66Å
758	E	50.5	Low	78	Confident	192 Å²	192	75.9 Å²	75.9	90%	0.897	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-5.4	-173.8	-66.2	-176.4	171.2	0	0	115.4	S756	S756-E758 PolarHBondContact O-N 2.62Å; S756-E758 VanDerWaalsContact O-N 3.11Å
759	K	52.6	Low	77.9	Confident	149 Å²	149	78.7 Å²	78.7	65%	0.648	42%	0.417	S	S	*	.			trans	-134.1	135.1	-178.8	-65.4	-177	-177.3	177.9	0	112.8	S756 D761 K812	S756-K759 PolarHBondContact O-N 2.99Å; K759-D761 PolarHBondContact O-N 2.81Å; K759-K812 PolarHBondContact O-NZ 3.44Å
760	Y	52.2	Low	77.9	Confident	201 Å²	201	78.6 Å²	78.6	79%	0.788	42%	0.417	S	S	*	.	S	Bend	trans	-69.3	-20.4	176.8	-76	-80.5	0	0	0	113.2
761	D	63.4	Low	78.1	Confident	121 Å²	121	79 Å²	79	65%	0.647	41%	0.414	S	S	*	.	S	Bend	trans	-99	134.9	-179.6	-70.4	-31	0	0	0	112.3	K759 T763	K759-D761 PolarHBondContact O-N 2.81Å; D761-T763 PolarHBondContact O-N 2.65Å
762	V	71.9	Confident	78.3	Confident	33 Å²	33	80.2 Å²	80.2	20%	0.2	42%	0.42	C	S	.	.			trans	-72.5	105.6	171.5	177.6	0	0	0	0	107.8	I767 V806	V762-I767 HydrophobicContact CG1-CD1 4.15Å; V762-I767 HydrophobicContact CG1-CG1 3.86Å; V762-V806 HydrophobicContact CG1-CB 3.83Å; V762-V806 HydrophobicContact CG1-CG1 4.26Å; V762-V806 HydrophobicContact CG2-CB 4.37Å; V762-V806 HydrophobicContact CG2-CG1 3.93Å
763	T	79	Confident	78.6	Confident	52 Å²	52	82.9 Å²	82.9	32%	0.319	43%	0.432	S	S	.	.			trans	-78.4	156.1	177.5	66.7	0	0	0	0	111.3	D761 Q765 V766 I767	D761-T763 PolarHBondContact O-N 2.65Å; T763-Q765 PolarHBondContact O-N 2.78Å; T763-Q765 VanDerWaalsContact O-N 3.13Å; T763-V766 WeakPolarHBondContact O-CB 3.43Å; T763-V766 PolarHBondContact O-N 3.31Å; T763-V766 PolarHBondContact OG1-N 3.31Å; T763-I767 PolarHBondContact O-N 3.09Å
764	S	83	Confident	79	Confident	94 Å²	94	81 Å²	81	66%	0.657	42%	0.423	S	S	*	.	H	α-helix	trans	-55.6	-30.8	173.9	-51.1	0	0	0	0	112.7	I767 M768	S764-I767 PolarHBondContact O-N 3.27Å; S764-M768 WeakPolarHBondContact O-CG 3.35Å; S764-M768 PolarHBondContact O-N 2.97Å
765	Q	84.8	Confident	79.6	Confident	132 Å²	132	81.7 Å²	81.7	62%	0.617	42%	0.417	S	S	*	.	H	α-helix	trans	-64.2	-39.3	176	-171.7	177.3	4.2	0	0	112.3	T763 I767 M768 Q769	T763-Q765 PolarHBondContact O-N 2.78Å; T763-Q765 VanDerWaalsContact O-N 3.13Å; Q765-I767 VanDerWaalsContact C-N 3.33Å; Q765-M768 PolarHBondContact O-N 3.17Å; Q765-Q769 WeakPolarHBondContact O-CB 3.44Å; Q765-Q769 WeakPolarHBondContact O-CG 3.27Å; Q765-Q769 PolarHBondContact O-N 3Å
766	V	86.6	Confident	80.4	Confident	11 Å²	11	85.5 Å²	85.5	7%	0.067	42%	0.418	C	S	.	.	H	α-helix	trans	-65.3	-39.6	175.9	173.8	0	0	0	0	110.7	I752 T763 Q769 L770 V806	I752-V766 HydrophobicContact CG2-CG1 3.82Å; T763-V766 WeakPolarHBondContact O-CB 3.43Å; T763-V766 PolarHBondContact O-N 3.31Å; T763-V766 PolarHBondContact OG1-N 3.31Å; V766-Q769 PolarHBondContact O-N 3.36Å; V766-L770 PolarHBondContact O-N 3.35Å; V766-V806 HydrophobicContact CG1-CG2 4.12Å
767	I	88.8	Confident	81.4	Confident	41 Å²	41	86.1 Å²	86.1	21%	0.21	42%	0.42	C	S	.	.	H	α-helix	trans	-65.1	-43.4	176.2	-60.9	173.2	0	0	0	110.5	V762 T763 S764 Q765 L770 R771	V762-I767 HydrophobicContact CG1-CD1 4.15Å; V762-I767 HydrophobicContact CG1-CG1 3.86Å; T763-I767 PolarHBondContact O-N 3.09Å; S764-I767 PolarHBondContact O-N 3.27Å; Q765-I767 VanDerWaalsContact C-N 3.33Å; I767-L770 WeakPolarHBondContact O-CB 3.43Å; I767-L770 PolarHBondContact O-N 3.47Å; I767-R771 WeakPolarHBondContact O-CG 3.4Å; I767-R771 PolarHBondContact O-N 2.84Å
768	M	89.6	Confident	82.9	Confident	135 Å²	135	85.5 Å²	85.5	67%	0.665	40%	0.403	S	S	*	.	H	α-helix	trans	-61.9	-43	175	-72.3	-178.8	70.7	0	0	112.2	S764 Q765 R771 Q772	S764-M768 WeakPolarHBondContact O-CG 3.35Å; S764-M768 PolarHBondContact O-N 2.97Å; Q765-M768 PolarHBondContact O-N 3.17Å; M768-R771 PolarHBondContact O-N 3.2Å; M768-Q772 WeakPolarHBondContact O-CB 3.19Å; M768-Q772 PolarHBondContact O-N 2.82Å
769	Q	91.2	Very high	84.9	Confident	63 Å²	63	81 Å²	81	29%	0.294	39%	0.393	S	S	.	.	H	α-helix	trans	-62.1	-42.1	176	-76.4	177.8	-5.5	0	0	112.2	I752 Q765 V766 K773	I752-Q769 HydrophobicContact CD1-CB 4.25Å; Q765-Q769 WeakPolarHBondContact O-CB 3.44Å; Q765-Q769 WeakPolarHBondContact O-CG 3.27Å; Q765-Q769 PolarHBondContact O-N 3Å; V766-Q769 PolarHBondContact O-N 3.36Å; Q769-K773 WeakPolarHBondContact O-CG 3.35Å; Q769-K773 PolarHBondContact O-N 2.81Å; Q769-K773 VanDerWaalsContact O-N 3.07Å
770	L	93.6	Very high	86.6	Confident	0 Å²	0	78 Å²	78	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-57.2	-53.5	173.4	172.4	67.7	0	0	0	110.2	V748 I752 V766 I767 Q772 K773 L774 V806 L814	V748-L770 HydrophobicContact CG1-CD1 3.68Å; I752-L770 HydrophobicContact CD1-CB 4.04Å; I752-L770 HydrophobicContact CG1-CD1 4.35Å; V766-L770 PolarHBondContact O-N 3.35Å; I767-L770 WeakPolarHBondContact O-CB 3.43Å; I767-L770 PolarHBondContact O-N 3.47Å; L770-Q772 PolarHBondContact O-N 2.63Å; L770-K773 PolarHBondContact O-N 3.31Å; L770-K773 VanDerWaalsContact O-N 3.12Å; L770-L774 HydrophobicContact CD1-CD1 4.01Å; L770-L774 HydrophobicContact CD1-CD2 4.49Å; L770-L774 HydrophobicContact CD1-CG 4.08Å; L770-L774 HydrophobicContact CG-CD1 3.96Å; L770-L774 HydrophobicContact CG-CG 4.36Å; L770-L774 WeakPolarHBondContact O-CG 3.28Å; L770-L774 PolarHBondContact O-N 2.98Å; L770-V806 HydrophobicContact CB-CG2 4.41Å; L770-V806 HydrophobicContact CD2-CG2 3.72Å; L770-L814 HydrophobicContact CD1-CD1 4.23Å; L770-L814 HydrophobicContact CD1-CD2 4.02Å; L770-L814 HydrophobicContact CD2-CD2 4.26Å
771	R	94.7	Very high	88.2	Confident	81 Å²	81	74.1 Å²	74.1	31%	0.306	38%	0.379	S	S	.	.	H	α-helix	trans	-58.5	-46.2	-177.9	-71.3	179.2	-178	-177.4	-3.2	112.3	I767 M768 K773 L774 E775 I801 E802 C804	I767-R771 WeakPolarHBondContact O-CG 3.4Å; I767-R771 PolarHBondContact O-N 2.84Å; M768-R771 PolarHBondContact O-N 3.2Å; R771-K773 VanDerWaalsContact C-N 3.3Å; R771-K773 PolarHBondContact O-N 3.16Å; R771-L774 PolarHBondContact O-N 2.7Å; R771-L774 VanDerWaalsContact O-N 3.14Å; R771-E775 WeakPolarHBondContact O-CG 3.23Å; R771-E775 PolarHBondContact O-N 3.2Å; R771-I801 HydrophobicContact CB-CG2 3.68Å; R771-I801 HydrophobicContact CG-CG2 3.79Å; R771-I801 PolarHBondContact NE-O 3.03Å; R771-E802 VanDerWaalsContact CZ-O 3.32Å; R771-E802 PolarHBondContact NH2-O 2.83Å; R771-C804 PolarHBondContact NE-O 2.81Å; R771-C804 PolarHBondContact NH2-O 3.41Å
772	Q	94.2	Very high	89.6	Confident	95 Å²	95	69.5 Å²	69.5	44%	0.444	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-37.8	177.1	-168.9	-177.5	28.2	0	0	112.5	M768 L770 R776	M768-Q772 WeakPolarHBondContact O-CB 3.19Å; M768-Q772 PolarHBondContact O-N 2.82Å; L770-Q772 PolarHBondContact O-N 2.63Å; Q772-R776 VanDerWaalsContact CD-NH2 3.3Å; Q772-R776 WeakPolarHBondContact O-CG 3.48Å; Q772-R776 PolarHBondContact O-N 2.99Å
773	K	94.4	Very high	90.7	Very high	58 Å²	58	68.9 Å²	68.9	25%	0.252	35%	0.35	S	S	.	.	H	α-helix	trans	-67.6	-43.2	175	-74.9	177.2	-178.4	-70.7	0	111.4	E751 I752 Q769 L770 R771 E775 R776 L777	E751-K773 WeakPolarHBondContact OE2-CE 3.49Å; E751-K773 IonicContact OE2-NZ 2.63Å; E751-K773 PolarHBondContact OE2-NZ 3.27Å; I752-K773 HydrophobicContact CD1-CD 4.39Å; Q769-K773 WeakPolarHBondContact O-CG 3.35Å; Q769-K773 PolarHBondContact O-N 2.81Å; Q769-K773 VanDerWaalsContact O-N 3.07Å; L770-K773 PolarHBondContact O-N 3.31Å; L770-K773 VanDerWaalsContact O-N 3.12Å; R771-K773 VanDerWaalsContact C-N 3.3Å; R771-K773 PolarHBondContact O-N 3.16Å; K773-E775 VanDerWaalsContact C-N 3.35Å; K773-E775 PolarHBondContact O-N 3.19Å; K773-R776 PolarHBondContact O-N 3.35Å; K773-L777 WeakPolarHBondContact O-CG 3.35Å; K773-L777 PolarHBondContact O-N 3.47Å
774	L	95.4	Very high	91.3	Very high	1 Å²	1	75.2 Å²	75.2	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-62.5	-40	176.7	-66.5	178.4	0	0	0	111.9	L745 L770 R771 R776 L777 Q778 L799 C804 L816	L745-L774 HydrophobicContact CD2-CD2 4.32Å; L770-L774 HydrophobicContact CD1-CD1 4.01Å; L770-L774 HydrophobicContact CD1-CD2 4.49Å; L770-L774 HydrophobicContact CD1-CG 4.08Å; L770-L774 HydrophobicContact CG-CD1 3.96Å; L770-L774 HydrophobicContact CG-CG 4.36Å; L770-L774 WeakPolarHBondContact O-CG 3.28Å; L770-L774 PolarHBondContact O-N 2.98Å; R771-L774 PolarHBondContact O-N 2.7Å; R771-L774 VanDerWaalsContact O-N 3.14Å; L774-R776 PolarHBondContact O-N 2.76Å; L774-L777 PolarHBondContact O-N 2.81Å; L774-Q778 WeakPolarHBondContact O-CB 3.49Å; L774-Q778 PolarHBondContact O-N 2.92Å; L774-L799 HydrophobicContact CB-CD1 4.26Å; L774-L799 HydrophobicContact CD2-CD1 4.07Å; L774-C804 HydrophobicContact CD1-CB 3.81Å; L774-L816 HydrophobicContact CD1-CD2 4.01Å
775	E	95.6	Very high	92	Very high	102 Å²	102	71.9 Å²	71.9	48%	0.477	35%	0.353	S	S	.	.	H	α-helix	trans	-59.6	-44.5	174.5	-74.2	167.6	-163.2	0	0	112.2	R771 K773 Q778 S779 I801	R771-E775 WeakPolarHBondContact O-CG 3.23Å; R771-E775 PolarHBondContact O-N 3.2Å; K773-E775 VanDerWaalsContact C-N 3.35Å; K773-E775 PolarHBondContact O-N 3.19Å; E775-Q778 PolarHBondContact O-N 3.31Å; E775-S779 PolarHBondContact O-N 2.72Å; E775-S779 VanDerWaalsContact O-N 3.1Å; E775-S779 PolarHBondContact O-OG 2.99Å; E775-I801 HydrophobicContact CB-CD1 4.13Å; E775-I801 HydrophobicContact CG-CD1 3.4Å; E775-I801 VanDerWaalsContact CG-CD1 3.4Å; E775-I801 HydrophobicContact CG-CG2 4.12Å
776	R	93.9	Very high	92.6	Very high	143 Å²	143	65.7 Å²	65.7	54%	0.54	32%	0.324	S	S	.	.	H	α-helix	trans	-65.6	-38.1	177.1	-69.3	175.8	-168.3	177.8	4.9	112.3	Q772 K773 L774 S779 S780	Q772-R776 VanDerWaalsContact CD-NH2 3.3Å; Q772-R776 WeakPolarHBondContact O-CG 3.48Å; Q772-R776 PolarHBondContact O-N 2.99Å; K773-R776 PolarHBondContact O-N 3.35Å; L774-R776 PolarHBondContact O-N 2.76Å; R776-S779 WeakPolarHBondContact CA-OG 3.28Å; R776-S779 PolarHBondContact O-OG 3.21Å; R776-S779 VanDerWaalsContact O-OG 3.05Å; R776-S780 PolarHBondContact O-OG 3Å
777	L	92.9	Very high	93.2	Very high	24 Å²	24	67 Å²	67	13%	0.126	33%	0.328	C	S	.	.	H	α-helix	trans	-67.4	-47.7	176	-72	-176.5	0	0	0	111.4	L744 V748 K773 L774 S779 S780 K781 L782	L744-L777 HydrophobicContact CB-CD1 4.28Å; L744-L777 HydrophobicContact CD2-CD2 4.05Å; V748-L777 HydrophobicContact CG2-CD1 3.43Å; V748-L777 VanDerWaalsContact CG2-CD1 3.43Å; K773-L777 WeakPolarHBondContact O-CG 3.35Å; K773-L777 PolarHBondContact O-N 3.47Å; L774-L777 PolarHBondContact O-N 2.81Å; L777-S779 VanDerWaalsContact C-N 3.25Å; L777-S779 PolarHBondContact O-N 3.47Å; L777-S780 PolarHBondContact O-N 3.36Å; L777-K781 HydrophobicContact CD2-CB 4.24Å; L777-K781 HydrophobicContact CD2-CD 4.24Å; L777-K781 PolarHBondContact O-N 3.37Å; L777-L782 PolarHBondContact O-N 3.12Å
778	Q	93.6	Very high	93.6	Very high	67 Å²	67	65.1 Å²	65.1	31%	0.313	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-32.7	-179.1	-178.3	155	-71.9	0	0	113.1	L774 E775 L799	L774-Q778 WeakPolarHBondContact O-CB 3.49Å; L774-Q778 PolarHBondContact O-N 2.92Å; E775-Q778 PolarHBondContact O-N 3.31Å; Q778-L799 VanDerWaalsContact OE1-CB 3.23Å
779	S	90.7	Very high	94	Very high	97 Å²	97	58.7 Å²	58.7	68%	0.678	29%	0.286	S	S	*	.	H	α-helix	trans	-78.6	-16.1	-179.8	47.8	0	0	0	0	115.1	E775 R776 L777	E775-S779 PolarHBondContact O-N 2.72Å; E775-S779 VanDerWaalsContact O-N 3.1Å; E775-S779 PolarHBondContact O-OG 2.99Å; R776-S779 WeakPolarHBondContact CA-OG 3.28Å; R776-S779 PolarHBondContact O-OG 3.21Å; R776-S779 VanDerWaalsContact O-OG 3.05Å; L777-S779 VanDerWaalsContact C-N 3.25Å; L777-S779 PolarHBondContact O-N 3.47Å
780	S	88.1	Confident	94.3	Very high	88 Å²	88	56.6 Å²	56.6	62%	0.615	28%	0.276	S	S	*	.	H	α-helix	trans	-145.6	-18.5	-168.2	63.6	0	0	0	0	117.3	R776 L777	R776-S780 PolarHBondContact O-OG 3Å; L777-S780 PolarHBondContact O-N 3.36Å
781	K	87.3	Confident	94.5	Very high	119 Å²	119	57.7 Å²	57.7	52%	0.517	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-28	-168.4	-67.2	-172.2	-178.8	-169.6	0	115.5	Q740 L744 L777	Q740-K781 PolarHBondContact NE2-O 3.42Å; L744-K781 HydrophobicContact CD1-CB 4.23Å; L777-K781 HydrophobicContact CD2-CB 4.24Å; L777-K781 HydrophobicContact CD2-CD 4.24Å; L777-K781 PolarHBondContact O-N 3.37Å
782	L	91.8	Very high	94.6	Very high	24 Å²	24	54.2 Å²	54.2	13%	0.126	27%	0.27	C	S	.	.	S	Bend	trans	-75.4	135.2	-179.4	-164.5	72.4	0	0	0	109.3	V741 L744 L777 L799	V741-L782 HydrophobicContact CB-CD1 4.41Å; V741-L782 HydrophobicContact CG1-CD1 4.26Å; V741-L782 HydrophobicContact CG2-CD1 3.8Å; L744-L782 HydrophobicContact CD1-CD1 4.27Å; L777-L782 PolarHBondContact O-N 3.12Å; L782-L799 HydrophobicContact CD2-CD1 3.9Å; L782-L799 HydrophobicContact CD2-CG 4.36Å
783	P	94.6	Very high	94.7	Very high	20 Å²	20	49.8 Å²	49.8	13%	0.13	25%	0.249	C	C	.	.			trans	-54	143.7	168.7	-25.1	34.4	0	0	0	111.6	K737 Q740 V741 S785	K737-P783 HydrophobicContact CB-CB 4.32Å; K737-P783 HydrophobicContact CB-CG 4.21Å; K737-P783 HydrophobicContact CG-CB 4.25Å; K737-P783 HydrophobicContact CG-CG 4.37Å; Q740-P783 HydrophobicContact CG-CG 4.49Å; V741-P783 HydrophobicContact CG2-CG 4Å; P783-S785 PolarHBondContact O-N 3.38Å
784	E	93.1	Very high	94.8	Very high	184 Å²	184	48.5 Å²	48.5	86%	0.86	25%	0.245	S	C	*	.	S	Bend	trans	-60.3	-34.4	177.4	-65	-177.2	168.1	0	0	112.5	G797	E784-G797 CarbonylContact O-C 3.59Å; E784-G797 WeakPolarHBondContact O-CA 3.39Å
785	S	97.1	Very high	94.9	Very high	25 Å²	25	50.4 Å²	50.4	18%	0.175	25%	0.252	C	S	.	.			trans	-152.3	157.1	170.9	68.9	0	0	0	0	112.5	P783 R795 A796	P783-S785 PolarHBondContact O-N 3.38Å; S785-R795 PolarHBondContact OG-NH1 3.5Å; S785-A796 CarbonylContact C-O 3.59Å; S785-A796 WeakPolarHBondContact CA-O 3.14Å; S785-A796 VanDerWaalsContact CB-O 3.3Å; S785-A796 WeakPolarHBondContact CB-O 3.41Å
786	F	97.9	Very high	95	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	154.1	174.3	69.2	-75.1	0	0	0	110.7	K737 Q738 V741 R795 A796 F818	K737-F786 HydrophobicContact CB-CB 4.24Å; Q738-F786 HydrophobicContact CG-CD2 4.33Å; V741-F786 HydrophobicContact CG1-CE1 4.17Å; V741-F786 HydrophobicContact CG1-CE2 4.21Å; V741-F786 HydrophobicContact CG1-CZ 3.97Å; V741-F786 HydrophobicContact CG2-CB 4.42Å; V741-F786 HydrophobicContact CG2-CD1 3.81Å; V741-F786 HydrophobicContact CG2-CD2 4.34Å; V741-F786 HydrophobicContact CG2-CE1 4.14Å; V741-F786 HydrophobicContact CG2-CG 3.93Å; F786-R795 CarbonylContact O-C 3.51Å; F786-R795 WeakPolarHBondContact O-CA 2.89Å; F786-A796 HydrophobicContact CD1-CB 4.07Å; F786-A796 HydrophobicContact CE1-CB 3.57Å; F786-A796 HydrophobicContact CE2-CB 4.39Å; F786-A796 HydrophobicContact CZ-CB 3.74Å; F786-A796 PolarHBondContact N-O 3.07Å; F786-A796 PolarHBondContact O-N 3.21Å; F786-F818 HydrophobicContact CE1-CD1 4.17Å; F786-F818 AromaticContact CE1-CE1 3.76Å; F786-F818 HydrophobicContact CE1-CE1 3.76Å; F786-F818 HydrophobicContact CE1-CZ 4.17Å; F786-F818 HydrophobicContact CZ-CE1 4.13Å; F786-F818 HydrophobicContact CZ-CZ 4.06Å
787	R	98.1	Very high	95.1	Very high	39 Å²	39	39 Å²	39	15%	0.147	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	140.7	172.5	-64.2	-174.7	-179.7	-68.9	-12.7	110.4	D278 D734 Q738 P789 P792 L794	D278-R787 IonicContact OD2-CZ 3.93Å; D278-R787 VanDerWaalsContact OD2-CZ 3.25Å; D278-R787 IonicContact OD2-NH1 3.3Å; D278-R787 PolarHBondContact OD2-NH1 2.94Å; D278-R787 IonicContact OD2-NH2 2.73Å; D278-R787 PolarHBondContact OD2-NH2 3.39Å; D278-R787 VanDerWaalsContact OD2-NH2 3.07Å; D734-R787 WeakPolarHBondContact OD2-CD 3.42Å; D734-R787 IonicContact OD2-CZ 2.7Å; D734-R787 IonicContact OD2-NE 3.76Å; D734-R787 PolarHBondContact OD2-NE 3.2Å; D734-R787 IonicContact OD2-NH2 2.69Å; Q738-R787 WeakPolarHBondContact CG-O 3.4Å; R787-P789 WeakPolarHBondContact O-CD 3.43Å; R787-P792 WeakPolarHBondContact CD-O 3.49Å; R787-P792 PolarHBondContact NH1-O 3.47Å; R787-L794 WeakPolarHBondContact CA-O 3.35Å
788	V	98.4	Very high	95.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	124.2	178.7	-179.9	0	0	0	0	109.6	Y790 D791 L794 A796 I831 I833	V788-Y790 VanDerWaalsContact C-N 3.31Å; V788-Y790 HydrophobicContact CG1-CD1 3.79Å; V788-Y790 HydrophobicContact CG1-CD2 3.87Å; V788-Y790 HydrophobicContact CG1-CE1 3.45Å; V788-Y790 VanDerWaalsContact CG1-CE1 3.45Å; V788-Y790 HydrophobicContact CG1-CE2 3.54Å; V788-Y790 HydrophobicContact CG1-CG 3.99Å; V788-Y790 PolarHBondContact O-N 3.35Å; V788-D791 CarbonylContact O-C 3.54Å; V788-D791 PolarHBondContact O-N 3.12Å; V788-D791 VanDerWaalsContact O-O 3.08Å; V788-L794 HydrophobicContact CB-CB 4.29Å; V788-L794 HydrophobicContact CG2-CB 3.92Å; V788-L794 PolarHBondContact N-O 3.49Å; V788-A796 HydrophobicContact CG2-CB 4.11Å; V788-I831 HydrophobicContact CG2-CG2 4.05Å; V788-I833 HydrophobicContact CG1-CD1 4.14Å; V788-I833 HydrophobicContact CG2-CD1 4.36Å
789	P	98.3	Very high	95.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.8	-173.5	-32.4	39.6	0	0	0	115.7	H696 W700 I742 R787 I873 M881	H696-P789 PolarHBondContact NE2-O 3.25Å; W700-P789 HydrophobicContact CZ2-CB 4.32Å; W700-P789 HydrophobicContact CZ2-CG 4.28Å; I742-P789 HydrophobicContact CD1-CG 4.42Å; R787-P789 WeakPolarHBondContact O-CD 3.43Å; P789-I873 HydrophobicContact CB-CD1 4.49Å; P789-I873 HydrophobicContact CB-CG2 3.8Å; P789-I873 VanDerWaalsContact O-CD1 3.25Å; P789-I873 WeakPolarHBondContact O-CD1 3.21Å; P789-M881 HydrophobicContact CB-SD 4.47Å; P789-M881 HydrophobicContact CG-SD 3.74Å
790	Y	97.3	Very high	95.7	Very high	20 Å²	20	33.3 Å²	33.3	8%	0.078	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-10	176.9	58.8	-105.9	0	0	0	113.9	F697 V788 G832 I833 M881 E883	F697-Y790 WeakPolarHBondContact CZ-O 3.49Å; V788-Y790 VanDerWaalsContact C-N 3.31Å; V788-Y790 HydrophobicContact CG1-CD1 3.79Å; V788-Y790 HydrophobicContact CG1-CD2 3.87Å; V788-Y790 HydrophobicContact CG1-CE1 3.45Å; V788-Y790 VanDerWaalsContact CG1-CE1 3.45Å; V788-Y790 HydrophobicContact CG1-CE2 3.54Å; V788-Y790 HydrophobicContact CG1-CG 3.99Å; V788-Y790 PolarHBondContact O-N 3.35Å; Y790-G832 PolarHBondContact OH-O 2.88Å; Y790-I833 HydrophobicContact CE1-CG1 4.23Å; Y790-I833 HydrophobicContact CE1-CG2 4.43Å; Y790-M881 HydrophobicContact CD1-CB 4.24Å; Y790-M881 HydrophobicContact CE1-CB 4.49Å; Y790-E883 HydrophobicContact CD2-CB 4.31Å; Y790-E883 HydrophobicContact CE1-CB 4.24Å; Y790-E883 HydrophobicContact CE2-CB 3.71Å; Y790-E883 HydrophobicContact CE2-CG 3.94Å
791	D	97.3	Very high	96.1	Very high	22 Å²	22	29.7 Å²	29.7	12%	0.118	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	90.3	176.7	-173.7	8.9	0	0	0	110.7	R277 R693 V788 G793 L794	R277-D791 IonicContact CZ-OD2 3.79Å; R277-D791 IonicContact NH1-OD2 3.2Å; R277-D791 IonicContact NH2-OD1 2.75Å; R277-D791 PolarHBondContact NH2-OD1 2.95Å; R277-D791 IonicContact NH2-OD2 2.68Å; R277-D791 PolarHBondContact NH2-OD2 3.08Å; R693-D791 IonicContact NH1-OD1 3.11Å; R693-D791 IonicContact NH2-OD1 3.27Å; R693-D791 PolarHBondContact NH2-OD1 3.44Å; V788-D791 CarbonylContact O-C 3.54Å; V788-D791 PolarHBondContact O-N 3.12Å; V788-D791 VanDerWaalsContact O-O 3.08Å; D791-G793 PolarHBondContact O-N 3.3Å; D791-G793 VanDerWaalsContact O-N 3.09Å; D791-G793 PolarHBondContact OD1-N 3.21Å; D791-L794 HydrophobicContact CB-CD1 4.36Å; D791-L794 PolarHBondContact O-N 3.33Å; D791-L794 WeakPolarHBondContact OD2-CD1 3.28Å; D791-L794 WeakPolarHBondContact OD2-CG 3.36Å
792	P	96.7	Very high	96.5	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.058	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-13.5	-173.9	25.6	-33.9	0	0	0	114.3	R693 H696 F697 R787 L794	R693-P792 HydrophobicContact CG-CG 4.32Å; H696-P792 HydrophobicContact CB-CB 4.4Å; H696-P792 HydrophobicContact CB-CG 4.35Å; F697-P792 HydrophobicContact CE2-CG 4.44Å; R787-P792 WeakPolarHBondContact CD-O 3.49Å; R787-P792 PolarHBondContact NH1-O 3.47Å; P792-L794 VanDerWaalsContact C-N 3.27Å
793	G	96.2	Very high	96.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	-19.9	173.8	0	0	0	0	0	113.2	R277 D278 D791	R277-G793 CarbonylContact C-O 3.58Å; R277-G793 VanDerWaalsContact CA-O 3.31Å; R277-G793 WeakPolarHBondContact CA-O 3.47Å; D278-G793 PolarHBondContact N-O 3.37Å; D791-G793 PolarHBondContact O-N 3.3Å; D791-G793 VanDerWaalsContact O-N 3.09Å; D791-G793 PolarHBondContact OD1-N 3.21Å
794	L	96.9	Very high	96.7	Very high	32 Å²	32	33 Å²	33	17%	0.168	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.7	176.8	-70.5	174.5	0	0	0	111.6	R277 R787 V788 D791 P792	R277-L794 HydrophobicContact CG-CD2 4.06Å; R787-L794 WeakPolarHBondContact CA-O 3.35Å; V788-L794 HydrophobicContact CB-CB 4.29Å; V788-L794 HydrophobicContact CG2-CB 3.92Å; V788-L794 PolarHBondContact N-O 3.49Å; D791-L794 HydrophobicContact CB-CD1 4.36Å; D791-L794 PolarHBondContact O-N 3.33Å; D791-L794 WeakPolarHBondContact OD2-CD1 3.28Å; D791-L794 WeakPolarHBondContact OD2-CG 3.36Å; P792-L794 VanDerWaalsContact C-N 3.27Å
795	R	97.1	Very high	96.8	Very high	41 Å²	41	28.3 Å²	28.3	16%	0.155	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	109.7	176.3	-166	173.7	-91.2	-88	-4.2	110.4	D278 D734 S785 F786 A821	D278-R795 IonicContact OD2-NE 2.91Å; D278-R795 PolarHBondContact OD2-NE 2.93Å; D734-R795 IonicContact OD1-CZ 3.52Å; D734-R795 IonicContact OD1-NH1 3.85Å; D734-R795 IonicContact OD1-NH2 3.5Å; D734-R795 PolarHBondContact OD1-NH2 3.48Å; D734-R795 IonicContact OD2-NH2 3.59Å; S785-R795 PolarHBondContact OG-NH1 3.5Å; F786-R795 CarbonylContact O-C 3.51Å; F786-R795 WeakPolarHBondContact O-CA 2.89Å; R795-A821 HydrophobicContact CB-CB 4.22Å; R795-A821 HydrophobicContact CG-CB 3.82Å; R795-A821 PolarHBondContact O-N 3.36Å
796	A	97.9	Very high	96.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	129.9	175	0	0	0	0	0	110	S785 F786 V788 F818 I831	S785-A796 CarbonylContact C-O 3.59Å; S785-A796 WeakPolarHBondContact CA-O 3.14Å; S785-A796 VanDerWaalsContact CB-O 3.3Å; S785-A796 WeakPolarHBondContact CB-O 3.41Å; F786-A796 HydrophobicContact CD1-CB 4.07Å; F786-A796 HydrophobicContact CE1-CB 3.57Å; F786-A796 HydrophobicContact CE2-CB 4.39Å; F786-A796 HydrophobicContact CZ-CB 3.74Å; F786-A796 PolarHBondContact N-O 3.07Å; F786-A796 PolarHBondContact O-N 3.21Å; V788-A796 HydrophobicContact CG2-CB 4.11Å; A796-F818 HydrophobicContact CB-CB 3.95Å; A796-F818 HydrophobicContact CB-CD1 4.24Å; A796-F818 HydrophobicContact CB-CG 4.03Å; A796-I831 HydrophobicContact CB-CD1 4.43Å
797	G	96.4	Very high	96	Very high	5 Å²	5	30.2 Å²	30.2	5%	0.052	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-135.2	176.1	0	0	0	0	0	112.1	E784 F818 K819	E784-G797 CarbonylContact O-C 3.59Å; E784-G797 WeakPolarHBondContact O-CA 3.39Å; G797-F818 WeakPolarHBondContact O-CD1 3.37Å; G797-K819 PolarHBondContact N-O 2.97Å
798	A	96.2	Very high	95.1	Very high	45 Å²	45	32.7 Å²	32.7	37%	0.372	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	146.1	178.7	0	0	0	0	0	113.1	F818 K819	A798-F818 CarbonylContact O-C 3.4Å; A798-F818 WeakPolarHBondContact O-CA 3.26Å; A798-K819 PolarHBondContact O-N 2.9Å
799	L	96.9	Very high	94	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.052	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	140.4	170.5	-72.3	158	0	0	0	111.2	L774 Q778 L782 I801 L816 E817 F818	L774-L799 HydrophobicContact CB-CD1 4.26Å; L774-L799 HydrophobicContact CD2-CD1 4.07Å; Q778-L799 VanDerWaalsContact OE1-CB 3.23Å; L782-L799 HydrophobicContact CD2-CD1 3.9Å; L782-L799 HydrophobicContact CD2-CG 4.36Å; L799-I801 HydrophobicContact CB-CG1 3.95Å; L799-I801 PolarHBondContact O-N 3.43Å; L799-L816 HydrophobicContact CD2-CB 4.26Å; L799-L816 HydrophobicContact CD2-CD2 4.43Å; L799-E817 WeakPolarHBondContact CA-O 3.31Å; L799-F818 HydrophobicContact CD1-CE1 4.37Å; L799-F818 HydrophobicContact CD2-CD1 3.64Å; L799-F818 HydrophobicContact CD2-CD2 4.19Å; L799-F818 HydrophobicContact CD2-CE1 3.24Å; L799-F818 HydrophobicContact CD2-CE2 3.81Å; L799-F818 HydrophobicContact CD2-CG 4.12Å; L799-F818 HydrophobicContact CD2-CZ 3.34Å; L799-F818 HydrophobicContact CG-CD1 3.82Å; L799-F818 HydrophobicContact CG-CE1 3.48Å; L799-F818 VanDerWaalsContact CG-CE1 3.48Å; L799-F818 HydrophobicContact CG-CZ 4.08Å
800	V	96.9	Very high	92.9	Very high	14 Å²	14	43.5 Å²	43.5	9%	0.085	23%	0.231	C	C	.	.			trans	-93.8	82.8	165.8	-173.4	0	0	0	0	107.5	E802 K803 C804 E817 K819 T830	V800-E802 VanDerWaalsContact C-N 3.29Å; V800-E802 HydrophobicContact CG1-CG 3.99Å; V800-E802 PolarHBondContact O-N 2.76Å; V800-K803 HydrophobicContact CG1-CB 4.17Å; V800-K803 HydrophobicContact CG1-CD 3.94Å; V800-K803 HydrophobicContact CG1-CG 3.81Å; V800-K803 PolarHBondContact O-N 3.36Å; V800-C804 PolarHBondContact O-N 3.38Å; V800-C804 PolarHBondContact O-SG 2.9Å; V800-C804 VanDerWaalsContact O-SG 3.35Å; V800-E817 HydrophobicContact CB-CB 4.41Å; V800-E817 PolarHBondContact N-O 3.49Å; V800-K819 HydrophobicContact CG2-CG 3.77Å; V800-T830 HydrophobicContact CB-CG2 4.42Å; V800-T830 HydrophobicContact CG2-CG2 3.77Å
801	I	96.1	Very high	92.1	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.062	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-61.8	-38.4	-165.4	-59.9	179.5	0	0	0	111.6	R771 E775 L799 K803 C804	R771-I801 HydrophobicContact CB-CG2 3.68Å; R771-I801 HydrophobicContact CG-CG2 3.79Å; R771-I801 PolarHBondContact NE-O 3.03Å; E775-I801 HydrophobicContact CB-CD1 4.13Å; E775-I801 HydrophobicContact CG-CD1 3.4Å; E775-I801 VanDerWaalsContact CG-CD1 3.4Å; E775-I801 HydrophobicContact CG-CG2 4.12Å; L799-I801 HydrophobicContact CB-CG1 3.95Å; L799-I801 PolarHBondContact O-N 3.43Å; I801-K803 PolarHBondContact O-N 3.12Å; I801-K803 VanDerWaalsContact O-N 3.16Å; I801-C804 WeakPolarHBondContact O-CB 3.36Å; I801-C804 PolarHBondContact O-N 3.08Å
802	E	95.9	Very high	91.6	Very high	130 Å²	130	45.9 Å²	45.9	61%	0.607	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-57	-24.6	174.2	38.9	-77.3	170.7	0	0	114.4	R771 V800	R771-E802 VanDerWaalsContact CZ-O 3.32Å; R771-E802 PolarHBondContact NH2-O 2.83Å; V800-E802 VanDerWaalsContact C-N 3.29Å; V800-E802 HydrophobicContact CG1-CG 3.99Å; V800-E802 PolarHBondContact O-N 2.76Å
803	K	95.2	Very high	91.4	Very high	101 Å²	101	45.8 Å²	45.8	44%	0.439	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-95.7	-14.6	175.2	-64.7	-170.8	-177.9	-176.9	0	113.5	V800 I801 E817	V800-K803 HydrophobicContact CG1-CB 4.17Å; V800-K803 HydrophobicContact CG1-CD 3.94Å; V800-K803 HydrophobicContact CG1-CG 3.81Å; V800-K803 PolarHBondContact O-N 3.36Å; I801-K803 PolarHBondContact O-N 3.12Å; I801-K803 VanDerWaalsContact O-N 3.16Å; K803-E817 HydrophobicContact CB-CB 4.12Å; K803-E817 HydrophobicContact CB-CG 4.21Å; K803-E817 WeakPolarHBondContact CD-OE2 3.23Å; K803-E817 IonicContact NZ-OE2 3.53Å
804	C	95.8	Very high	91.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.			trans	-70.7	140.9	177.6	-62.4	0	0	0	0	111.5	R771 L774 V800 I801 W815 L816	R771-C804 PolarHBondContact NE-O 2.81Å; R771-C804 PolarHBondContact NH2-O 3.41Å; L774-C804 HydrophobicContact CD1-CB 3.81Å; V800-C804 PolarHBondContact O-N 3.38Å; V800-C804 PolarHBondContact O-SG 2.9Å; V800-C804 VanDerWaalsContact O-SG 3.35Å; I801-C804 WeakPolarHBondContact O-CB 3.36Å; I801-C804 PolarHBondContact O-N 3.08Å; C804-W815 VanDerWaalsContact CA-O 3.28Å; C804-W815 WeakPolarHBondContact CA-O 3.38Å; C804-L816 HydrophobicContact CB-CD2 4.42Å
805	K	93.9	Very high	91.4	Very high	87 Å²	87	46.9 Å²	46.9	38%	0.378	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	164.8	-177.7	62.8	-173.6	176.4	-167.3	0	112.4	W815	K805-W815 HydrophobicContact CD-CG 4.4Å; K805-W815 HydrophobicContact CG-CB 3.64Å; K805-W815 HydrophobicContact CG-CG 3.92Å; K805-W815 PolarHBondContact N-O 3.47Å; K805-W815 PolarHBondContact O-N 2.73Å
806	V	91.1	Very high	91.4	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.3	167.7	-176.8	0	0	0	0	108.2	I752 V762 V766 L770 K812 L814	I752-V806 HydrophobicContact CG2-CG2 4.09Å; V762-V806 HydrophobicContact CG1-CB 3.83Å; V762-V806 HydrophobicContact CG1-CG1 4.26Å; V762-V806 HydrophobicContact CG2-CB 4.37Å; V762-V806 HydrophobicContact CG2-CG1 3.93Å; V766-V806 HydrophobicContact CG1-CG2 4.12Å; L770-V806 HydrophobicContact CB-CG2 4.41Å; L770-V806 HydrophobicContact CD2-CG2 3.72Å; V806-K812 HydrophobicContact CG1-CB 3.79Å; V806-K812 HydrophobicContact CG1-CG 4.42Å; V806-L814 HydrophobicContact CG2-CD2 4Å
807	M	87	Confident	91.4	Very high	60 Å²	60	46.1 Å²	46.1	30%	0.296	24%	0.241	S	C	.	.			trans	-75.5	143.3	179	-59.6	180	70	0	0	111.2	S809 P813 W815 I834	M807-S809 PolarHBondContact O-N 3.29Å; M807-P813 HydrophobicContact CB-CG 3.9Å; M807-P813 HydrophobicContact CG-CG 4.23Å; M807-P813 PolarHBondContact N-O 3.22Å; M807-P813 HydrophobicContact SD-CB 4.49Å; M807-P813 HydrophobicContact SD-CG 3.86Å; M807-W815 HydrophobicContact CE-CE3 4.33Å; M807-W815 HydrophobicContact CG-CB 4.13Å; M807-W815 HydrophobicContact CG-CE3 4.48Å; M807-W815 HydrophobicContact SD-CE3 4.12Å; M807-I834 HydrophobicContact CE-CD1 4.39Å; M807-I834 HydrophobicContact SD-CD1 3.96Å; M807-I834 HydrophobicContact SD-CG1 4.05Å; M807-I834 HydrophobicContact SD-CG2 4.31Å
808	A	78.7	Confident	91.4	Very high	90 Å²	90	46 Å²	46	74%	0.744	24%	0.238	S	C	*	.	S	Bend	trans	-76.2	61.4	177.8	0	0	0	0	0	112.1
809	S	76.6	Confident	91.5	Very high	58 Å²	58	50 Å²	50	41%	0.406	25%	0.247	S	C	.	.	S	Bend	trans	-123.9	159.9	177.1	170.8	0	0	0	0	110.8	M807 K811 K812	M807-S809 PolarHBondContact O-N 3.29Å; S809-K811 PolarHBondContact O-N 3.34Å; S809-K811 VanDerWaalsContact O-N 3.11Å; S809-K812 WeakPolarHBondContact O-CG 3.42Å; S809-K812 PolarHBondContact O-N 2.82Å
810	K	74.1	Confident	91.4	Very high	170 Å²	170	51 Å²	51	74%	0.739	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-37.6	179.2	-176.4	178.1	179.8	-179.1	0	112.2
811	K	81.9	Confident	91.4	Very high	66 Å²	66	52.5 Å²	52.5	29%	0.287	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.7	-175.5	-60.9	-78	177.5	128.3	0	113.5	K753 S809 G838 D839	K753-K811 WeakPolarHBondContact CE-O 3.44Å; K753-K811 PolarHBondContact NZ-O 2.72Å; S809-K811 PolarHBondContact O-N 3.34Å; S809-K811 VanDerWaalsContact O-N 3.11Å; K811-G838 PolarHBondContact NZ-O 3.09Å; K811-D839 WeakPolarHBondContact CD-OD1 3.45Å; K811-D839 WeakPolarHBondContact CE-OD1 3.38Å; K811-D839 WeakPolarHBondContact CG-OD2 3.32Å; K811-D839 IonicContact NZ-OD1 3.79Å; K811-D839 PolarHBondContact NZ-OD1 3.44Å
812	K	87	Confident	91.2	Very high	25 Å²	25	53 Å²	53	11%	0.109	27%	0.272	C	S	.	.			trans	46.9	54.9	177	-62.5	175.7	177.6	172.7	0	113.2	S756 K759 V806 S809	S756-K812 VanDerWaalsContact CB-NZ 3.34Å; S756-K812 PolarHBondContact O-NZ 3.14Å; S756-K812 PolarHBondContact OG-NZ 3.15Å; K759-K812 PolarHBondContact O-NZ 3.44Å; V806-K812 HydrophobicContact CG1-CB 3.79Å; V806-K812 HydrophobicContact CG1-CG 4.42Å; S809-K812 WeakPolarHBondContact O-CG 3.42Å; S809-K812 PolarHBondContact O-N 2.82Å
813	P	91.6	Very high	91	Very high	8 Å²	8	51.8 Å²	51.8	5%	0.052	28%	0.284	C	S	.	.			trans	-65.3	151.8	178.3	27.4	-30	0	0	0	111.1	M807 I834 K836	M807-P813 HydrophobicContact CB-CG 3.9Å; M807-P813 HydrophobicContact CG-CG 4.23Å; M807-P813 PolarHBondContact N-O 3.22Å; M807-P813 HydrophobicContact SD-CB 4.49Å; M807-P813 HydrophobicContact SD-CG 3.86Å; P813-I834 HydrophobicContact CB-CG2 3.88Å; P813-K836 HydrophobicContact CB-CB 4.32Å; P813-K836 HydrophobicContact CB-CG 4.23Å
814	L	95.8	Very high	90.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	128.6	177.9	-52.8	-175.1	0	0	0	109.3	V748 T749 L770 V806 L816 I834 F835	V748-L814 HydrophobicContact CG1-CD1 4.34Å; T749-L814 VanDerWaalsContact OG1-CD1 3.22Å; T749-L814 WeakPolarHBondContact OG1-CD1 3.47Å; L770-L814 HydrophobicContact CD1-CD1 4.23Å; L770-L814 HydrophobicContact CD1-CD2 4.02Å; L770-L814 HydrophobicContact CD2-CD2 4.26Å; V806-L814 HydrophobicContact CG2-CD2 4Å; L814-L816 HydrophobicContact CB-CD2 4.19Å; L814-L816 HydrophobicContact CB-CG 4.21Å; L814-I834 CarbonylContact O-C 3.54Å; L814-I834 VanDerWaalsContact O-CA 3.28Å; L814-I834 WeakPolarHBondContact O-CA 3.48Å; L814-F835 HydrophobicContact CB-CB 4.28Å; L814-F835 HydrophobicContact CD1-CD1 4.43Å; L814-F835 PolarHBondContact N-O 2.89Å; L814-F835 PolarHBondContact O-N 3.17Å
815	W	96.4	Very high	90.7	Very high	55 Å²	55	50.3 Å²	50.3	21%	0.208	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.9	167.3	177.7	-67.2	0	0	0	107.9	C804 K805 M807 E817 I834 I884	C804-W815 VanDerWaalsContact CA-O 3.28Å; C804-W815 WeakPolarHBondContact CA-O 3.38Å; K805-W815 HydrophobicContact CD-CG 4.4Å; K805-W815 HydrophobicContact CG-CB 3.64Å; K805-W815 HydrophobicContact CG-CG 3.92Å; K805-W815 PolarHBondContact N-O 3.47Å; K805-W815 PolarHBondContact O-N 2.73Å; M807-W815 HydrophobicContact CE-CE3 4.33Å; M807-W815 HydrophobicContact CG-CB 4.13Å; M807-W815 HydrophobicContact CG-CE3 4.48Å; M807-W815 HydrophobicContact SD-CE3 4.12Å; W815-E817 PolarHBondContact NE1-OE1 2.92Å; W815-I834 HydrophobicContact CE3-CD1 4.48Å; W815-I834 HydrophobicContact CE3-CG1 4.33Å; W815-I884 HydrophobicContact CD2-CD1 3.48Å; W815-I884 VanDerWaalsContact CD2-CD1 3.48Å; W815-I884 VanDerWaalsContact CE2-CD1 3.47Å; W815-I884 HydrophobicContact CE3-CD1 3.74Å; W815-I884 HydrophobicContact CE3-CG1 4.47Å; W815-I884 HydrophobicContact CG-CD1 4.01Å; W815-I884 HydrophobicContact CH2-CD1 3.97Å; W815-I884 HydrophobicContact CH2-CG1 4.41Å; W815-I884 HydrophobicContact CH2-CG2 3.45Å; W815-I884 VanDerWaalsContact CH2-CG2 3.45Å; W815-I884 HydrophobicContact CZ2-CD1 3.74Å; W815-I884 HydrophobicContact CZ2-CG2 3.7Å; W815-I884 HydrophobicContact CZ3-CD1 3.97Å; W815-I884 HydrophobicContact CZ3-CG1 4.36Å; W815-I884 HydrophobicContact CZ3-CG2 4.12Å
816	L	97.9	Very high	90.5	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.7	-176.9	-55.3	174	0	0	0	109.4	L745 L774 L799 C804 L814 F818 G832 I833 F835	L745-L816 HydrophobicContact CD1-CD1 3.6Å; L745-L816 HydrophobicContact CD2-CD1 3.68Å; L745-L816 HydrophobicContact CG-CD1 4.29Å; L774-L816 HydrophobicContact CD1-CD2 4.01Å; L799-L816 HydrophobicContact CD2-CB 4.26Å; L799-L816 HydrophobicContact CD2-CD2 4.43Å; C804-L816 HydrophobicContact CB-CD2 4.42Å; L814-L816 HydrophobicContact CB-CD2 4.19Å; L814-L816 HydrophobicContact CB-CG 4.21Å; L816-F818 HydrophobicContact CB-CD2 4.41Å; L816-F818 HydrophobicContact CB-CE2 3.66Å; L816-F818 HydrophobicContact CB-CZ 4.28Å; L816-F818 HydrophobicContact CD1-CE2 4.29Å; L816-F818 HydrophobicContact CD1-CZ 4.31Å; L816-G832 WeakPolarHBondContact O-CA 3.43Å; L816-I833 WeakPolarHBondContact CB-O 3.19Å; L816-I833 PolarHBondContact N-O 3.11Å; L816-I833 PolarHBondContact O-N 3.48Å; L816-F835 HydrophobicContact CD1-CB 4.1Å
817	E	97.4	Very high	90.3	Very high	26 Å²	26	53.3 Å²	53.3	12%	0.121	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.9	174	-71.8	-167	-140.5	0	0	109.5	L799 V800 K803 W815 T830 I831	L799-E817 WeakPolarHBondContact CA-O 3.31Å; V800-E817 HydrophobicContact CB-CB 4.41Å; V800-E817 PolarHBondContact N-O 3.49Å; K803-E817 HydrophobicContact CB-CB 4.12Å; K803-E817 HydrophobicContact CB-CG 4.21Å; K803-E817 WeakPolarHBondContact CD-OE2 3.23Å; K803-E817 IonicContact NZ-OE2 3.53Å; W815-E817 PolarHBondContact NE1-OE1 2.92Å; E817-T830 HydrophobicContact CB-CG2 4.29Å; E817-T830 WeakPolarHBondContact OE2-CB 3.38Å; E817-T830 PolarHBondContact OE2-OG1 2.8Å; E817-I831 WeakPolarHBondContact CA-O 3.24Å
818	F	97.4	Very high	90.3	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.009	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	152.2	-179.4	-61.2	-97.3	0	0	0	110	F786 A796 G797 A798 L799 L816 T830 I831 I833	F786-F818 HydrophobicContact CE1-CD1 4.17Å; F786-F818 AromaticContact CE1-CE1 3.76Å; F786-F818 HydrophobicContact CE1-CE1 3.76Å; F786-F818 HydrophobicContact CE1-CZ 4.17Å; F786-F818 HydrophobicContact CZ-CE1 4.13Å; F786-F818 HydrophobicContact CZ-CZ 4.06Å; A796-F818 HydrophobicContact CB-CB 3.95Å; A796-F818 HydrophobicContact CB-CD1 4.24Å; A796-F818 HydrophobicContact CB-CG 4.03Å; G797-F818 WeakPolarHBondContact O-CD1 3.37Å; A798-F818 CarbonylContact O-C 3.4Å; A798-F818 WeakPolarHBondContact O-CA 3.26Å; L799-F818 HydrophobicContact CD1-CE1 4.37Å; L799-F818 HydrophobicContact CD2-CD1 3.64Å; L799-F818 HydrophobicContact CD2-CD2 4.19Å; L799-F818 HydrophobicContact CD2-CE1 3.24Å; L799-F818 HydrophobicContact CD2-CE2 3.81Å; L799-F818 HydrophobicContact CD2-CG 4.12Å; L799-F818 HydrophobicContact CD2-CZ 3.34Å; L799-F818 HydrophobicContact CG-CD1 3.82Å; L799-F818 HydrophobicContact CG-CE1 3.48Å; L799-F818 VanDerWaalsContact CG-CE1 3.48Å; L799-F818 HydrophobicContact CG-CZ 4.08Å; L816-F818 HydrophobicContact CB-CD2 4.41Å; L816-F818 HydrophobicContact CB-CE2 3.66Å; L816-F818 HydrophobicContact CB-CZ 4.28Å; L816-F818 HydrophobicContact CD1-CE2 4.29Å; L816-F818 HydrophobicContact CD1-CZ 4.31Å; F818-T830 CarbonylContact O-C 3.53Å; F818-T830 WeakPolarHBondContact O-CA 3.18Å; F818-T830 WeakPolarHBondContact O-CB 3.25Å; F818-I831 HydrophobicContact CB-CB 4.4Å; F818-I831 PolarHBondContact N-O 3.36Å; F818-I831 PolarHBondContact O-N 2.9Å; F818-I833 HydrophobicContact CD2-CD1 4.07Å; F818-I833 HydrophobicContact CD2-CG1 4.4Å; F818-I833 HydrophobicContact CE2-CB 4.36Å; F818-I833 HydrophobicContact CE2-CD1 3.96Å; F818-I833 HydrophobicContact CE2-CG1 4.4Å
819	K	96.8	Very high	90.8	Very high	128 Å²	128	59.2 Å²	59.2	56%	0.557	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	153.1	163.3	-64.8	-175.5	178.7	179.9	0	109.6	G797 A798 V800 A821	G797-K819 PolarHBondContact N-O 2.97Å; A798-K819 PolarHBondContact O-N 2.9Å; V800-K819 HydrophobicContact CG2-CG 3.77Å; K819-A821 PolarHBondContact O-N 2.99Å
820	C	96	Very high	91.7	Very high	32 Å²	32	57.4 Å²	57.4	22%	0.216	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	131.3	163.3	-167.9	0	0	0	0	108.7	D822 A825 I831	C820-D822 VanDerWaalsContact C-N 3.28Å; C820-A825 HydrophobicContact CB-CB 4Å; C820-I831 HydrophobicContact CB-CD1 4.33Å
821	A	96.1	Very high	92.8	Very high	45 Å²	45	50.1 Å²	50.1	37%	0.372	28%	0.283	S	S	.	.	S	Bend	trans	-75.6	-21	177.5	0	0	0	0	0	112.4	R795 K819 A823	R795-A821 HydrophobicContact CB-CB 4.22Å; R795-A821 HydrophobicContact CG-CB 3.82Å; R795-A821 PolarHBondContact O-N 3.36Å; K819-A821 PolarHBondContact O-N 2.99Å; A821-A823 PolarHBondContact O-N 2.91Å
822	D	93.5	Very high	93.6	Very high	23 Å²	23	47.4 Å²	47.4	12%	0.123	27%	0.273	C	S	.	.			trans	-78.2	119.5	-179.8	-174.1	-15.1	0	0	0	110.8	R273 G276 R277 C820 T824 A825	R273-D822 IonicContact CZ-OD2 3.5Å; R273-D822 IonicContact NH1-OD2 3.01Å; R273-D822 PolarHBondContact NH1-OD2 2.81Å; R273-D822 IonicContact NH2-OD1 2.9Å; R273-D822 IonicContact NH2-OD2 3.21Å; G276-D822 WeakPolarHBondContact CA-OD2 3.39Å; G276-D822 PolarHBondContact N-OD2 2.93Å; R277-D822 PolarHBondContact N-OD2 2.92Å; C820-D822 VanDerWaalsContact C-N 3.28Å; D822-T824 PolarHBondContact O-N 3.15Å; D822-T824 VanDerWaalsContact OD1-CB 3.32Å; D822-T824 WeakPolarHBondContact OD1-CB 2.89Å; D822-T824 WeakPolarHBondContact OD1-CG2 3.36Å; D822-T824 PolarHBondContact OD1-N 3.06Å; D822-T824 PolarHBondContact OD1-OG1 2.93Å; D822-T824 PolarHBondContact OD2-OG1 2.76Å; D822-A825 VanDerWaalsContact O-CB 3.29Å; D822-A825 WeakPolarHBondContact O-CB 3.39Å; D822-A825 PolarHBondContact O-N 2.96Å
823	A	91.4	Very high	94.1	Very high	105 Å²	105	46.2 Å²	46.2	87%	0.868	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.5	179.4	0	0	0	0	0	113.7	A821 A825	A821-A823 PolarHBondContact O-N 2.91Å; A823-A825 VanDerWaalsContact C-N 3.28Å
824	T	93.2	Very high	94.4	Very high	39 Å²	39	47 Å²	47	24%	0.239	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.2	176.7	70.6	0	0	0	0	113	R273 G276 V306 D822 L826	R273-T824 PolarHBondContact NH2-OG1 3.11Å; G276-T824 PolarHBondContact N-OG1 3.11Å; V306-T824 HydrophobicContact CB-CG2 4.43Å; V306-T824 HydrophobicContact CG1-CG2 4.34Å; V306-T824 HydrophobicContact CG2-CG2 4.04Å; D822-T824 PolarHBondContact O-N 3.15Å; D822-T824 VanDerWaalsContact OD1-CB 3.32Å; D822-T824 WeakPolarHBondContact OD1-CB 2.89Å; D822-T824 WeakPolarHBondContact OD1-CG2 3.36Å; D822-T824 PolarHBondContact OD1-N 3.06Å; D822-T824 PolarHBondContact OD1-OG1 2.93Å; D822-T824 PolarHBondContact OD2-OG1 2.76Å; T824-L826 PolarHBondContact O-N 2.64Å
825	A	92	Very high	94.5	Very high	31 Å²	31	47 Å²	47	26%	0.256	27%	0.272	S	S	.	.			trans	-58.8	121.7	174.4	0	0	0	0	0	110.7	C820 D822 A823 S827	C820-A825 HydrophobicContact CB-CB 4Å; D822-A825 VanDerWaalsContact O-CB 3.29Å; D822-A825 WeakPolarHBondContact O-CB 3.39Å; D822-A825 PolarHBondContact O-N 2.96Å; A823-A825 VanDerWaalsContact C-N 3.28Å; A825-S827 VanDerWaalsContact C-N 3.28Å; A825-S827 PolarHBondContact O-N 3.01Å
826	L	89.4	Confident	94.4	Very high	102 Å²	102	45.8 Å²	45.8	53%	0.534	27%	0.268	S	S	.	.	S	Bend	trans	-77.4	-16.3	-176.9	-65	171.4	0	0	0	113.5	C275 H304 T824	C275-L826 HydrophobicContact CB-CD1 4.05Å; C275-L826 HydrophobicContact CB-CG 4.07Å; H304-L826 HydrophobicContact CB-CD1 3.37Å; T824-L826 PolarHBondContact O-N 2.64Å
827	S	86.1	Confident	94.1	Very high	54 Å²	54	47.2 Å²	47.2	38%	0.378	28%	0.275	S	S	.	.			trans	-116.2	140.8	179.1	-177.3	0	0	0	0	110.4	A825 E829	A825-S827 VanDerWaalsContact C-N 3.28Å; A825-S827 PolarHBondContact O-N 3.01Å; S827-E829 PolarHBondContact O-N 3.24Å; S827-E829 WeakPolarHBondContact OG-CB 3.42Å; S827-E829 WeakPolarHBondContact OG-CG 3.46Å; S827-E829 PolarHBondContact OG-N 2.92Å; S827-E829 VanDerWaalsContact OG-N 3.14Å; S827-E829 PolarHBondContact OG-OE1 3.48Å
828	N	87.3	Confident	93.6	Very high	172 Å²	172	46.9 Å²	46.9	92%	0.92	28%	0.278	S	S	*	.			trans	-81.7	10.7	170.1	-71.6	-47.3	0	0	0	112.4
829	E	89.2	Confident	93.1	Very high	103 Å²	103	48.8 Å²	48.8	48%	0.481	29%	0.288	S	S	.	.			trans	-62.5	146.8	174.7	-76.8	162.7	-130.7	0	0	112	S827 K886	S827-E829 PolarHBondContact O-N 3.24Å; S827-E829 WeakPolarHBondContact OG-CB 3.42Å; S827-E829 WeakPolarHBondContact OG-CG 3.46Å; S827-E829 PolarHBondContact OG-N 2.92Å; S827-E829 VanDerWaalsContact OG-N 3.14Å; S827-E829 PolarHBondContact OG-OE1 3.48Å; E829-K886 VanDerWaalsContact CB-NZ 3.28Å; E829-K886 VanDerWaalsContact OE2-CD 3.28Å; E829-K886 WeakPolarHBondContact OE2-CD 3.24Å; E829-K886 WeakPolarHBondContact OE2-CE 3.28Å; E829-K886 IonicContact OE2-NZ 3.25Å; E829-K886 PolarHBondContact OE2-NZ 3.07Å
830	T	95.4	Very high	92.5	Very high	19 Å²	19	44.2 Å²	44.2	12%	0.117	27%	0.27	C	S	.	.			trans	-82.8	156.5	179.4	45.3	0	0	0	0	111.5	V800 E817 F818 K886	V800-T830 HydrophobicContact CB-CG2 4.42Å; V800-T830 HydrophobicContact CG2-CG2 3.77Å; E817-T830 HydrophobicContact CB-CG2 4.29Å; E817-T830 WeakPolarHBondContact OE2-CB 3.38Å; E817-T830 PolarHBondContact OE2-OG1 2.8Å; F818-T830 CarbonylContact O-C 3.53Å; F818-T830 WeakPolarHBondContact O-CA 3.18Å; F818-T830 WeakPolarHBondContact O-CB 3.25Å; T830-K886 WeakPolarHBondContact O-CE 3.37Å; T830-K886 PolarHBondContact O-NZ 2.96Å
831	I	97.3	Very high	92.2	Very high	17 Å²	17	42.8 Å²	42.8	9%	0.087	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	108	166.1	-59.7	171.3	0	0	0	106.6	V788 A796 E817 F818 C820 I833	V788-I831 HydrophobicContact CG2-CG2 4.05Å; A796-I831 HydrophobicContact CB-CD1 4.43Å; E817-I831 WeakPolarHBondContact CA-O 3.24Å; F818-I831 HydrophobicContact CB-CB 4.4Å; F818-I831 PolarHBondContact N-O 3.36Å; F818-I831 PolarHBondContact O-N 2.9Å; C820-I831 HydrophobicContact CB-CD1 4.33Å; I831-I833 HydrophobicContact CG2-CD1 4.34Å; I831-I833 HydrophobicContact CG2-CG1 4.22Å
832	G	97.5	Very high	91.7	Very high	9 Å²	9	42.3 Å²	42.3	9%	0.093	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.2	-179.9	0	0	0	0	0	111.8	Y790 L816 I884	Y790-G832 PolarHBondContact OH-O 2.88Å; L816-G832 WeakPolarHBondContact O-CA 3.43Å; G832-I884 PolarHBondContact O-N 3.25Å
833	I	98.3	Very high	91.2	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.8	179.7	-57.5	178	0	0	0	109.4	V788 Y790 L816 F818 I831 M881	V788-I833 HydrophobicContact CG1-CD1 4.14Å; V788-I833 HydrophobicContact CG2-CD1 4.36Å; Y790-I833 HydrophobicContact CE1-CG1 4.23Å; Y790-I833 HydrophobicContact CE1-CG2 4.43Å; L816-I833 WeakPolarHBondContact CB-O 3.19Å; L816-I833 PolarHBondContact N-O 3.11Å; L816-I833 PolarHBondContact O-N 3.48Å; F818-I833 HydrophobicContact CD2-CD1 4.07Å; F818-I833 HydrophobicContact CD2-CG1 4.4Å; F818-I833 HydrophobicContact CE2-CB 4.36Å; F818-I833 HydrophobicContact CE2-CD1 3.96Å; F818-I833 HydrophobicContact CE2-CG1 4.4Å; I831-I833 HydrophobicContact CG2-CD1 4.34Å; I831-I833 HydrophobicContact CG2-CG1 4.22Å; I833-M881 HydrophobicContact CG2-CB 3.97Å; I833-M881 HydrophobicContact CG2-CG 3.95Å; I833-M881 HydrophobicContact CG2-SD 4.09Å
834	I	97.9	Very high	91.1	Very high	24 Å²	24	37.3 Å²	37.3	12%	0.123	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.2	165.3	-67.1	165	0	0	0	108.3	M807 P813 L814 W815 M881 I882 I884	M807-I834 HydrophobicContact CE-CD1 4.39Å; M807-I834 HydrophobicContact SD-CD1 3.96Å; M807-I834 HydrophobicContact SD-CG1 4.05Å; M807-I834 HydrophobicContact SD-CG2 4.31Å; P813-I834 HydrophobicContact CB-CG2 3.88Å; L814-I834 CarbonylContact O-C 3.54Å; L814-I834 VanDerWaalsContact O-CA 3.28Å; L814-I834 WeakPolarHBondContact O-CA 3.48Å; W815-I834 HydrophobicContact CE3-CD1 4.48Å; W815-I834 HydrophobicContact CE3-CG1 4.33Å; I834-M881 CarbonylContact O-C 3.52Å; I834-M881 WeakPolarHBondContact O-CA 3.3Å; I834-I882 HydrophobicContact CB-CB 4.16Å; I834-I882 PolarHBondContact N-O 2.76Å; I834-I882 PolarHBondContact O-N 3.39Å; I834-I884 HydrophobicContact CD1-CG1 4.01Å; I834-I884 HydrophobicContact CG1-CD1 3.89Å; I834-I884 HydrophobicContact CG1-CG1 3.68Å
835	F	97.6	Very high	91	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115.5	169.1	-175.7	-92.4	0	0	0	109.4	I742 L745 H746 T749 L814 L816 I879 M881	I742-F835 HydrophobicContact CG2-CE2 4.39Å; L745-F835 HydrophobicContact CB-CD1 4.19Å; L745-F835 HydrophobicContact CB-CD2 4.03Å; L745-F835 HydrophobicContact CB-CE1 4.13Å; L745-F835 HydrophobicContact CB-CE2 3.96Å; L745-F835 HydrophobicContact CB-CG 4.14Å; L745-F835 HydrophobicContact CB-CZ 4.01Å; L745-F835 HydrophobicContact CD1-CB 4.49Å; L745-F835 HydrophobicContact CD1-CD2 3.98Å; L745-F835 HydrophobicContact CD1-CG 4.28Å; H746-F835 HydrophobicContact CB-CZ 4.08Å; T749-F835 WeakPolarHBondContact OG1-CD1 3.43Å; T749-F835 WeakPolarHBondContact OG1-CE1 3.41Å; L814-F835 HydrophobicContact CB-CB 4.28Å; L814-F835 HydrophobicContact CD1-CD1 4.43Å; L814-F835 PolarHBondContact N-O 2.89Å; L814-F835 PolarHBondContact O-N 3.17Å; L816-F835 HydrophobicContact CD1-CB 4.1Å; F835-I879 HydrophobicContact CZ-CB 4.41Å; F835-I879 HydrophobicContact CZ-CG2 4.5Å; F835-M881 HydrophobicContact CD2-CE 4.02Å; F835-M881 HydrophobicContact CD2-CG 4.11Å; F835-M881 HydrophobicContact CE2-CE 4.47Å
836	K	94.6	Very high	90.7	Very high	29 Å²	29	34.5 Å²	34.5	13%	0.126	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.5	-174.4	-165.8	165.1	170.4	-165.9	0	109.7	P813 D839 L841 I879 G880 I882	P813-K836 HydrophobicContact CB-CB 4.32Å; P813-K836 HydrophobicContact CB-CG 4.23Å; K836-D839 WeakPolarHBondContact CE-OD2 3.33Å; K836-D839 IonicContact NZ-OD2 3.53Å; K836-D839 PolarHBondContact NZ-OD2 3.41Å; K836-L841 HydrophobicContact CB-CD1 4.49Å; K836-L841 HydrophobicContact CD-CD2 4.15Å; K836-I879 WeakPolarHBondContact O-CA 3.47Å; K836-G880 PolarHBondContact N-O 3.36Å; K836-G880 PolarHBondContact O-N 2.69Å; K836-I882 HydrophobicContact CD-CD1 3.94Å
837	H	92.8	Very high	90.7	Very high	31 Å²	31	29.7 Å²	29.7	14%	0.144	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.3	175.8	166.4	-116.3	0	0	0	109.6	T749 M750 K753 K878 I879	T749-H837 HydrophobicContact CG2-CB 3.68Å; M750-H837 PolarHBondContact SD-CE1 2.84Å; K753-H837 WeakPolarHBondContact CE-ND1 3.43Å; K753-H837 PolarHBondContact NZ-ND1 3.13Å; K753-H837 PolarHBondContact NZ-O 3.1Å; H837-K878 CarbonylContact C-O 3.53Å; H837-K878 WeakPolarHBondContact CA-O 3.48Å; H837-I879 HydrophobicContact CB-CG2 4.05Å
838	G	86.8	Confident	91	Very high	18 Å²	18	27.1 Å²	27.1	19%	0.186	14%	0.143	C	C	.	.	S	Bend	trans	97.6	5.4	173.8	0	0	0	0	0	115	K811 K878	K811-G838 PolarHBondContact NZ-O 3.09Å; G838-K878 PolarHBondContact N-O 3.32Å
839	D	85.1	Confident	91.3	Very high	43 Å²	43	19.6 Å²	19.6	23%	0.23	10%	0.102	C	C	.	.	S	Bend	trans	-128.9	147.2	172.7	-65	-28.3	0	0	0	109.3	K811 K836 K878	K811-D839 WeakPolarHBondContact CD-OD1 3.45Å; K811-D839 WeakPolarHBondContact CE-OD1 3.38Å; K811-D839 WeakPolarHBondContact CG-OD2 3.32Å; K811-D839 IonicContact NZ-OD1 3.79Å; K811-D839 PolarHBondContact NZ-OD1 3.44Å; K836-D839 WeakPolarHBondContact CE-OD2 3.33Å; K836-D839 IonicContact NZ-OD2 3.53Å; K836-D839 PolarHBondContact NZ-OD2 3.41Å; D839-K878 CarbonylContact O-C 3.45Å; D839-K878 VanDerWaalsContact O-C 3.29Å; D839-K878 VanDerWaalsContact O-CA 3.32Å; D839-K878 WeakPolarHBondContact O-CA 3.48Å
840	D	84.9	Confident	91.4	Very high	32 Å²	32	14.7 Å²	14.7	17%	0.171	8%	0.079	C	C	.	.			trans	-84.4	116.2	173.5	-175.3	-6.2	0	0	0	109.8	R842	D840-R842 WeakPolarHBondContact OD1-CB 3.44Å; D840-R842 VanDerWaalsContact OD1-CG 3.29Å; D840-R842 WeakPolarHBondContact OD1-CG 3.5Å; D840-R842 PolarHBondContact OD1-N 3.42Å; D840-R842 IonicContact OD1-NE 3.29Å; D840-R842 PolarHBondContact OD1-NE 2.96Å; D840-R842 IonicContact OD2-CZ 3.36Å; D840-R842 VanDerWaalsContact OD2-CZ 3.3Å; D840-R842 IonicContact OD2-NE 3.1Å; D840-R842 PolarHBondContact OD2-NE 3.33Å; D840-R842 IonicContact OD2-NH2 2.7Å; D840-R842 PolarHBondContact OD2-NH2 3.24Å
841	L	89.7	Confident	91.3	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.074	C	C	.	.			trans	-88.5	-1.2	-178.1	-68.7	-171.7	0	0	0	114.3	K836 Q843 D844 M845 I882	K836-L841 HydrophobicContact CB-CD1 4.49Å; K836-L841 HydrophobicContact CD-CD2 4.15Å; L841-Q843 PolarHBondContact O-N 3.3Å; L841-D844 PolarHBondContact O-N 3.44Å; L841-M845 VanDerWaalsContact O-CG 3.27Å; L841-M845 WeakPolarHBondContact O-CG 3.36Å; L841-M845 PolarHBondContact O-N 3.09Å; L841-I882 HydrophobicContact CD1-CD1 4.15Å; L841-I882 HydrophobicContact CD1-CG1 3.91Å; L841-I882 HydrophobicContact CD2-CD1 4.14Å
842	R	85.4	Confident	91.2	Very high	36 Å²	36	17 Å²	17	14%	0.136	9%	0.085	C	C	.	.	H	α-helix	trans	-61.3	-33.2	179.2	-67.6	-179.6	-61.3	173.5	-5.5	112.5	E705 D840 M845 L846	E705-R842 WeakPolarHBondContact OE1-CD 3.1Å; E705-R842 IonicContact OE1-CZ 2.63Å; E705-R842 IonicContact OE1-NE 3.17Å; E705-R842 IonicContact OE1-NH1 2.81Å; E705-R842 PolarHBondContact OE1-NH1 2.76Å; E705-R842 IonicContact OE2-NH1 2.83Å; E705-R842 PolarHBondContact OE2-NH1 3Å; D840-R842 WeakPolarHBondContact OD1-CB 3.44Å; D840-R842 VanDerWaalsContact OD1-CG 3.29Å; D840-R842 WeakPolarHBondContact OD1-CG 3.5Å; D840-R842 PolarHBondContact OD1-N 3.42Å; D840-R842 IonicContact OD1-NE 3.29Å; D840-R842 PolarHBondContact OD1-NE 2.96Å; D840-R842 IonicContact OD2-CZ 3.36Å; D840-R842 VanDerWaalsContact OD2-CZ 3.3Å; D840-R842 IonicContact OD2-NE 3.1Å; D840-R842 PolarHBondContact OD2-NE 3.33Å; D840-R842 IonicContact OD2-NH2 2.7Å; D840-R842 PolarHBondContact OD2-NH2 3.24Å; R842-M845 PolarHBondContact O-N 3.01Å; R842-L846 PolarHBondContact O-N 2.66Å
843	Q	84.1	Confident	91	Very high	13 Å²	13	16.7 Å²	16.7	6%	0.061	8%	0.081	C	C	.	.	H	α-helix	trans	-65.1	-49.3	175.6	-176.8	175.7	-21.3	0	0	111.5	L841 M845 L846 I847 F968 G969 I971 M1042	L841-Q843 PolarHBondContact O-N 3.3Å; Q843-M845 VanDerWaalsContact C-N 3.33Å; Q843-M845 PolarHBondContact O-N 3.03Å; Q843-L846 PolarHBondContact O-N 2.92Å; Q843-I847 WeakPolarHBondContact O-CG1 3.39Å; Q843-I847 PolarHBondContact O-N 3.43Å; Q843-I847 VanDerWaalsContact O-N 3.07Å; Q843-F968 PolarHBondContact NE2-O 2.89Å; Q843-G969 VanDerWaalsContact NE2-C 3.32Å; Q843-G969 PolarHBondContact NE2-O 3.42Å; Q843-I971 HydrophobicContact CG-CD1 4.32Å; Q843-M1042 HydrophobicContact CB-SD 4.43Å
844	D	88.4	Confident	90.8	Very high	10 Å²	10	16.6 Å²	16.6	5%	0.053	8%	0.08	C	C	.	.	H	α-helix	trans	-61	-42.3	175.6	-68.2	-98.3	0	0	0	111.7	L841 L846 I847 L848 F968	L841-D844 PolarHBondContact O-N 3.44Å; D844-L846 VanDerWaalsContact C-N 3.32Å; D844-L846 PolarHBondContact O-N 3.16Å; D844-I847 PolarHBondContact O-N 2.91Å; D844-L848 WeakPolarHBondContact O-CB 3.44Å; D844-L848 WeakPolarHBondContact O-CD1 3.2Å; D844-L848 WeakPolarHBondContact O-CG 3.38Å; D844-L848 PolarHBondContact O-N 3.23Å; D844-F968 PolarHBondContact OD1-N 3.42Å
845	M	90.4	Very high	90.6	Very high	10 Å²	10	17.3 Å²	17.3	5%	0.049	8%	0.083	C	C	.	.	H	α-helix	trans	-56.3	-46.4	175.2	-72.2	171	67	0	0	111.9	L664 F701 L841 R842 Q843 Q849 C872 I873 S874	L664-M845 HydrophobicContact CD1-CE 4.38Å; L664-M845 HydrophobicContact CD2-CB 4.49Å; F701-M845 HydrophobicContact CD1-CE 3.6Å; F701-M845 HydrophobicContact CE1-CE 3.38Å; F701-M845 HydrophobicContact CZ-CE 4.42Å; L841-M845 VanDerWaalsContact O-CG 3.27Å; L841-M845 WeakPolarHBondContact O-CG 3.36Å; L841-M845 PolarHBondContact O-N 3.09Å; R842-M845 PolarHBondContact O-N 3.01Å; Q843-M845 VanDerWaalsContact C-N 3.33Å; Q843-M845 PolarHBondContact O-N 3.03Å; M845-Q849 WeakPolarHBondContact O-CB 3.36Å; M845-Q849 PolarHBondContact O-N 2.72Å; M845-C872 WeakPolarHBondContact CG-O 3.37Å; M845-I873 HydrophobicContact CE-CG1 4.3Å; M845-S874 WeakPolarHBondContact SD-CB 3.33Å; M845-S874 PolarHBondContact SD-N 3Å
846	L	86.6	Confident	90.4	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-60.6	-51.3	178	172.1	62.3	0	0	0	110.8	L664 Q665 R842 Q843 D844 L848 Q849 I850 M1037 M1042 L1045	L664-L846 HydrophobicContact CD2-CB 4.45Å; Q665-L846 VanDerWaalsContact NE2-CD1 3.27Å; R842-L846 PolarHBondContact O-N 2.66Å; Q843-L846 PolarHBondContact O-N 2.92Å; D844-L846 VanDerWaalsContact C-N 3.32Å; D844-L846 PolarHBondContact O-N 3.16Å; L846-L848 VanDerWaalsContact C-N 3.3Å; L846-L848 PolarHBondContact O-N 2.98Å; L846-Q849 WeakPolarHBondContact O-CB 3.29Å; L846-Q849 PolarHBondContact O-N 2.96Å; L846-Q849 VanDerWaalsContact O-N 3.09Å; L846-I850 HydrophobicContact CD1-CD1 4.1Å; L846-I850 HydrophobicContact CD1-CG1 3.77Å; L846-I850 HydrophobicContact CG-CG1 4.18Å; L846-I850 WeakPolarHBondContact O-CG1 3.38Å; L846-I850 PolarHBondContact O-N 3.31Å; L846-M1037 HydrophobicContact CD1-CG 3.55Å; L846-M1037 HydrophobicContact CD1-SD 3.71Å; L846-M1037 HydrophobicContact CD2-CB 3.64Å; L846-M1037 HydrophobicContact CD2-CG 3.56Å; L846-M1037 HydrophobicContact CD2-SD 4.06Å; L846-M1037 HydrophobicContact CG-CG 4.22Å; L846-M1037 HydrophobicContact CG-SD 4.43Å; L846-M1042 HydrophobicContact CB-CE 4.45Å; L846-M1042 HydrophobicContact CB-SD 4.19Å; L846-M1042 HydrophobicContact CD2-CE 3.2Å; L846-M1042 HydrophobicContact CD2-SD 3.84Å; L846-M1042 HydrophobicContact CG-CE 4.38Å; L846-L1045 HydrophobicContact CD2-CD1 4.25Å
847	I	89.3	Confident	90.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.1	-44.1	-176.2	-64	-61.6	0	0	0	110.6	Q843 D844 Q849 I850 L851 L945 I947 F968 I971	Q843-I847 WeakPolarHBondContact O-CG1 3.39Å; Q843-I847 PolarHBondContact O-N 3.43Å; Q843-I847 VanDerWaalsContact O-N 3.07Å; D844-I847 PolarHBondContact O-N 2.91Å; I847-Q849 VanDerWaalsContact C-N 3.28Å; I847-Q849 PolarHBondContact O-N 3.45Å; I847-I850 PolarHBondContact O-N 3.01Å; I847-L851 HydrophobicContact CG2-CD1 4.39Å; I847-L851 HydrophobicContact CG2-CG 4.48Å; I847-L851 VanDerWaalsContact O-CG 3.31Å; I847-L851 WeakPolarHBondContact O-CG 3.4Å; I847-L851 PolarHBondContact O-N 3.08Å; I847-L945 HydrophobicContact CD1-CD1 4.44Å; I847-L945 HydrophobicContact CG2-CD1 4.47Å; I847-I947 HydrophobicContact CG2-CD1 3.85Å; I847-F968 HydrophobicContact CB-CB 4.02Å; I847-F968 HydrophobicContact CB-CD2 4.22Å; I847-F968 HydrophobicContact CB-CG 4Å; I847-F968 HydrophobicContact CG1-CB 4.03Å; I847-F968 HydrophobicContact CG2-CB 4.02Å; I847-F968 HydrophobicContact CG2-CD1 3.62Å; I847-F968 HydrophobicContact CG2-CD2 3.95Å; I847-F968 HydrophobicContact CG2-CE1 3.99Å; I847-F968 HydrophobicContact CG2-CE2 4.29Å; I847-F968 HydrophobicContact CG2-CG 3.58Å; I847-F968 HydrophobicContact CG2-CZ 4.31Å; I847-I971 HydrophobicContact CD1-CB 4.43Å; I847-I971 HydrophobicContact CD1-CD1 4.03Å; I847-I971 HydrophobicContact CD1-CG2 3.78Å; I847-I971 HydrophobicContact CG1-CG2 3.99Å
848	L	93.3	Very high	90.4	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-61.5	-36.5	175.9	-72.6	162.6	0	0	0	112.6	D844 L846 L851 R852 P869 Y870 C872 F968	D844-L848 WeakPolarHBondContact O-CB 3.44Å; D844-L848 WeakPolarHBondContact O-CD1 3.2Å; D844-L848 WeakPolarHBondContact O-CG 3.38Å; D844-L848 PolarHBondContact O-N 3.23Å; L846-L848 VanDerWaalsContact C-N 3.3Å; L846-L848 PolarHBondContact O-N 2.98Å; L848-L851 PolarHBondContact O-N 3.35Å; L848-R852 WeakPolarHBondContact O-CG 3.11Å; L848-R852 PolarHBondContact O-N 2.94Å; L848-R852 VanDerWaalsContact O-N 3.12Å; L848-P869 HydrophobicContact CD2-CB 4.1Å; L848-Y870 HydrophobicContact CD1-CD2 4.1Å; L848-Y870 HydrophobicContact CD1-CE2 3.75Å; L848-Y870 HydrophobicContact CD2-CD1 3.99Å; L848-Y870 HydrophobicContact CD2-CD2 4.44Å; L848-Y870 HydrophobicContact CD2-CE1 3.85Å; L848-Y870 HydrophobicContact CD2-CE2 4.34Å; L848-Y870 HydrophobicContact CD2-CG 4.27Å; L848-C872 HydrophobicContact CD1-CB 3.27Å; L848-F968 HydrophobicContact CD2-CE2 3.84Å; L848-F968 HydrophobicContact CG-CD2 4.4Å; L848-F968 HydrophobicContact CG-CE2 3.95Å
849	Q	91.8	Very high	90.6	Very high	13 Å²	13	17.7 Å²	17.7	6%	0.061	8%	0.083	C	C	.	.	H	α-helix	trans	-70.1	-40.6	174.7	-169.5	-166.8	17.7	0	0	112.4	H661 Q665 M845 L846 I847 L851 R852 I853	H661-Q849 WeakPolarHBondContact O-CG 3.24Å; H661-Q849 PolarHBondContact O-NE2 2.8Å; Q665-Q849 VanDerWaalsContact OE1-CD 3.24Å; M845-Q849 WeakPolarHBondContact O-CB 3.36Å; M845-Q849 PolarHBondContact O-N 2.72Å; L846-Q849 WeakPolarHBondContact O-CB 3.29Å; L846-Q849 PolarHBondContact O-N 2.96Å; L846-Q849 VanDerWaalsContact O-N 3.09Å; I847-Q849 VanDerWaalsContact C-N 3.28Å; I847-Q849 PolarHBondContact O-N 3.45Å; Q849-L851 VanDerWaalsContact C-N 3.28Å; Q849-L851 PolarHBondContact O-N 3.21Å; Q849-R852 WeakPolarHBondContact O-CB 3.05Å; Q849-R852 PolarHBondContact O-N 3.33Å; Q849-R852 VanDerWaalsContact O-N 3.16Å; Q849-I853 WeakPolarHBondContact O-CG1 3.41Å; Q849-I853 PolarHBondContact O-N 3.41Å
850	I	91.8	Very high	90.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.6	-39.1	174.4	-64	-65.5	0	0	0	110.4	L846 I847 R852 I853 M854 L945 L1033 F1034	L846-I850 HydrophobicContact CD1-CD1 4.1Å; L846-I850 HydrophobicContact CD1-CG1 3.77Å; L846-I850 HydrophobicContact CG-CG1 4.18Å; L846-I850 WeakPolarHBondContact O-CG1 3.38Å; L846-I850 PolarHBondContact O-N 3.31Å; I847-I850 PolarHBondContact O-N 3.01Å; I850-R852 VanDerWaalsContact C-N 3.33Å; I850-R852 PolarHBondContact O-N 3.16Å; I850-I853 HydrophobicContact CD1-CD1 4.32Å; I850-I853 PolarHBondContact O-N 2.99Å; I850-I853 VanDerWaalsContact O-N 3.15Å; I850-M854 HydrophobicContact CG2-CE 4Å; I850-M854 HydrophobicContact CG2-CG 4.42Å; I850-M854 WeakPolarHBondContact O-CG 3.3Å; I850-M854 PolarHBondContact O-N 3.34Å; I850-L945 HydrophobicContact CG2-CD1 4.05Å; I850-L945 HydrophobicContact CG2-CD2 4.04Å; I850-L1033 HydrophobicContact CD1-CB 3.97Å; I850-L1033 HydrophobicContact CD1-CD1 4.02Å; I850-F1034 HydrophobicContact CB-CZ 4.32Å; I850-F1034 HydrophobicContact CD1-CE2 4.11Å; I850-F1034 HydrophobicContact CD1-CZ 4.24Å; I850-F1034 HydrophobicContact CG1-CE2 4.14Å; I850-F1034 HydrophobicContact CG1-CZ 3.8Å; I850-F1034 HydrophobicContact CG2-CE2 3.88Å; I850-F1034 HydrophobicContact CG2-CZ 3.91Å
851	L	94.6	Very high	90.9	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-59.8	-41.7	173.4	-67.9	175.9	0	0	0	111.7	I847 L848 Q849 I853 M854 E855 L867 P869 Y938 A941 L945 F968	I847-L851 HydrophobicContact CG2-CD1 4.39Å; I847-L851 HydrophobicContact CG2-CG 4.48Å; I847-L851 VanDerWaalsContact O-CG 3.31Å; I847-L851 WeakPolarHBondContact O-CG 3.4Å; I847-L851 PolarHBondContact O-N 3.08Å; L848-L851 PolarHBondContact O-N 3.35Å; Q849-L851 VanDerWaalsContact C-N 3.28Å; Q849-L851 PolarHBondContact O-N 3.21Å; L851-I853 VanDerWaalsContact C-N 3.34Å; L851-I853 PolarHBondContact O-N 2.91Å; L851-M854 HydrophobicContact CD2-SD 4.42Å; L851-M854 WeakPolarHBondContact O-CB 3.26Å; L851-M854 PolarHBondContact O-N 3.24Å; L851-E855 PolarHBondContact O-N 3.42Å; L851-L867 HydrophobicContact CB-CD1 4.11Å; L851-L867 HydrophobicContact CD2-CD1 3.89Å; L851-L867 HydrophobicContact CG-CD1 4.5Å; L851-P869 HydrophobicContact CB-CB 4.29Å; L851-Y938 HydrophobicContact CD1-CE1 4.06Å; L851-A941 HydrophobicContact CD2-CB 3.58Å; L851-L945 HydrophobicContact CD2-CD1 4.43Å; L851-F968 HydrophobicContact CD1-CZ 4.03Å
852	R	93.9	Very high	90.9	Very high	85 Å²	85	24.6 Å²	24.6	32%	0.321	13%	0.132	S	C	.	.	H	α-helix	trans	-62.3	-39	173.1	-68.6	175.9	-171.6	117.6	7.8	112.5	L848 Q849 I850 E855 S856 P869 Y870	L848-R852 WeakPolarHBondContact O-CG 3.11Å; L848-R852 PolarHBondContact O-N 2.94Å; L848-R852 VanDerWaalsContact O-N 3.12Å; Q849-R852 WeakPolarHBondContact O-CB 3.05Å; Q849-R852 PolarHBondContact O-N 3.33Å; Q849-R852 VanDerWaalsContact O-N 3.16Å; I850-R852 VanDerWaalsContact C-N 3.33Å; I850-R852 PolarHBondContact O-N 3.16Å; R852-E855 PolarHBondContact O-N 3.17Å; R852-S856 PolarHBondContact O-N 3.27Å; R852-P869 HydrophobicContact CG-CB 3.74Å; R852-P869 HydrophobicContact CG-CG 3.52Å; R852-P869 PolarHBondContact NH2-O 3.03Å; R852-Y870 PolarHBondContact NH2-O 3.4Å; R852-Y870 VanDerWaalsContact NH2-O 3.08Å
853	I	93.3	Very high	91.3	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-65.9	-41.3	175.1	-66.7	166.7	0	0	0	110.7	H661 Y662 Q849 I850 L851 E855 S856 I857 L1029 L1033	H661-I853 HydrophobicContact CB-CG1 4.42Å; Y662-I853 HydrophobicContact CD1-CD1 3.88Å; Y662-I853 HydrophobicContact CE1-CD1 3.8Å; Y662-I853 HydrophobicContact CE1-CG1 4.11Å; Y662-I853 HydrophobicContact CE1-CG2 4.32Å; Q849-I853 WeakPolarHBondContact O-CG1 3.41Å; Q849-I853 PolarHBondContact O-N 3.41Å; I850-I853 HydrophobicContact CD1-CD1 4.32Å; I850-I853 PolarHBondContact O-N 2.99Å; I850-I853 VanDerWaalsContact O-N 3.15Å; L851-I853 VanDerWaalsContact C-N 3.34Å; L851-I853 PolarHBondContact O-N 2.91Å; I853-E855 VanDerWaalsContact C-N 3.33Å; I853-E855 PolarHBondContact O-N 3.27Å; I853-S856 PolarHBondContact O-N 2.82Å; I853-I857 HydrophobicContact CG2-CD1 4.09Å; I853-I857 WeakPolarHBondContact O-CG1 3.15Å; I853-I857 PolarHBondContact O-N 3.32Å; I853-L1029 HydrophobicContact CG2-CD2 4.32Å; I853-L1033 HydrophobicContact CD1-CD1 3.74Å; I853-L1033 HydrophobicContact CG2-CD1 4.19Å
854	M	95.6	Very high	91.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.8	-42.2	173.9	-69.4	-175.8	171.6	0	0	111.4	I850 L851 I857 W858 A941 V944 L945 L1023 L1030	I850-M854 HydrophobicContact CG2-CE 4Å; I850-M854 HydrophobicContact CG2-CG 4.42Å; I850-M854 WeakPolarHBondContact O-CG 3.3Å; I850-M854 PolarHBondContact O-N 3.34Å; L851-M854 HydrophobicContact CD2-SD 4.42Å; L851-M854 WeakPolarHBondContact O-CB 3.26Å; L851-M854 PolarHBondContact O-N 3.24Å; M854-I857 PolarHBondContact O-N 2.71Å; M854-W858 HydrophobicContact CB-CE3 4.25Å; M854-W858 HydrophobicContact CB-CH2 3.91Å; M854-W858 HydrophobicContact CB-CZ2 4.23Å; M854-W858 HydrophobicContact CB-CZ3 3.92Å; M854-W858 VanDerWaalsContact O-CG 3.31Å; M854-W858 PolarHBondContact O-N 2.83Å; M854-W858 HydrophobicContact SD-CH2 4.35Å; M854-A941 HydrophobicContact SD-CB 3.73Å; M854-V944 HydrophobicContact CE-CB 4.39Å; M854-V944 HydrophobicContact CE-CG1 4.09Å; M854-L945 HydrophobicContact CE-CD1 4.03Å; M854-L945 HydrophobicContact CE-CD2 3.61Å; M854-L945 HydrophobicContact CE-CG 3.73Å; M854-L1023 HydrophobicContact CB-CD2 4.03Å; M854-L1023 HydrophobicContact CE-CD1 3.86Å; M854-L1023 HydrophobicContact CG-CD1 4.25Å; M854-L1023 HydrophobicContact CG-CD2 3.77Å; M854-L1023 HydrophobicContact SD-CD1 3.88Å; M854-L1023 HydrophobicContact SD-CD2 4.49Å; M854-L1030 HydrophobicContact CE-CD2 4.35Å
855	E	93.7	Very high	92	Very high	39 Å²	39	25.2 Å²	25.2	18%	0.182	14%	0.138	C	C	.	.	H	α-helix	trans	-60	-44.2	172.6	-72.3	-171.2	113.8	0	0	112.3	L851 R852 I853 I857 W858 E859 L867 P869	L851-E855 PolarHBondContact O-N 3.42Å; R852-E855 PolarHBondContact O-N 3.17Å; I853-E855 VanDerWaalsContact C-N 3.33Å; I853-E855 PolarHBondContact O-N 3.27Å; E855-I857 VanDerWaalsContact C-N 3.31Å; E855-I857 PolarHBondContact O-N 2.92Å; E855-W858 HydrophobicContact CG-CE3 4.45Å; E855-W858 PolarHBondContact O-N 3.46Å; E855-E859 WeakPolarHBondContact O-CB 3.18Å; E855-E859 PolarHBondContact O-N 3.01Å; E855-L867 HydrophobicContact CG-CB 3.89Å; E855-L867 HydrophobicContact CG-CD1 3.93Å; E855-L867 HydrophobicContact CG-CG 3.96Å; E855-L867 WeakPolarHBondContact OE1-CB 3.42Å; E855-L867 PolarHBondContact OE1-N 3.28Å; E855-P869 WeakPolarHBondContact OE2-CD 3.03Å; E855-P869 WeakPolarHBondContact OE2-CG 3.38Å
856	S	91.7	Very high	92.2	Very high	22 Å²	22	25.6 Å²	25.6	15%	0.154	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-35.4	176.6	179.2	0	0	0	0	112.5	R852 I853 A860	R852-S856 PolarHBondContact O-N 3.27Å; I853-S856 PolarHBondContact O-N 2.82Å; S856-A860 PolarHBondContact O-N 3.4Å; S856-A860 VanDerWaalsContact O-N 3.12Å
857	I	93.4	Very high	92.6	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.041	14%	0.144	C	C	.	.	H	α-helix	trans	-65.6	-47.6	174.2	-70.3	163.4	0	0	0	109.9	I853 M854 E855 E859 A860 E861 L1023 H1026 L1029	I853-I857 HydrophobicContact CG2-CD1 4.09Å; I853-I857 WeakPolarHBondContact O-CG1 3.15Å; I853-I857 PolarHBondContact O-N 3.32Å; M854-I857 PolarHBondContact O-N 2.71Å; E855-I857 VanDerWaalsContact C-N 3.31Å; E855-I857 PolarHBondContact O-N 2.92Å; I857-E859 VanDerWaalsContact C-N 3.31Å; I857-E859 PolarHBondContact O-N 3.41Å; I857-A860 WeakPolarHBondContact O-CB 3.43Å; I857-A860 PolarHBondContact O-N 3.26Å; I857-E861 PolarHBondContact O-N 3.18Å; I857-L1023 HydrophobicContact CB-CD2 4.42Å; I857-L1023 HydrophobicContact CD1-CD2 4.19Å; I857-L1023 HydrophobicContact CG2-CD2 4.17Å; I857-H1026 HydrophobicContact CD1-CB 3.84Å; I857-H1026 HydrophobicContact CG1-CB 4.36Å; I857-H1026 HydrophobicContact CG2-CB 4.43Å; I857-H1026 VanDerWaalsContact CG2-CD2 3.43Å; I857-H1026 WeakPolarHBondContact CG2-CD2 3.33Å; I857-L1029 HydrophobicContact CD1-CD2 4.39Å
858	W	95.2	Very high	92.9	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-65.3	-35.6	178	-66.3	-36	0	0	0	112.4	M854 E855 A860 E861 S862 L863 L865 L867 V940 A941 A1019 L1023	M854-W858 HydrophobicContact CB-CE3 4.25Å; M854-W858 HydrophobicContact CB-CH2 3.91Å; M854-W858 HydrophobicContact CB-CZ2 4.23Å; M854-W858 HydrophobicContact CB-CZ3 3.92Å; M854-W858 VanDerWaalsContact O-CG 3.31Å; M854-W858 PolarHBondContact O-N 2.83Å; M854-W858 HydrophobicContact SD-CH2 4.35Å; E855-W858 HydrophobicContact CG-CE3 4.45Å; E855-W858 PolarHBondContact O-N 3.46Å; W858-A860 VanDerWaalsContact C-N 3.35Å; W858-A860 PolarHBondContact O-N 3.23Å; W858-E861 CarbonylContact O-C 3.52Å; W858-E861 WeakPolarHBondContact O-CA 3.31Å; W858-E861 PolarHBondContact O-N 3.27Å; W858-E861 VanDerWaalsContact O-N 3.13Å; W858-S862 PolarHBondContact O-N 3.07Å; W858-S862 VanDerWaalsContact O-N 3.12Å; W858-L863 CarbonylContact C-O 3.07Å; W858-L863 HydrophobicContact CB-CB 4.02Å; W858-L863 WeakPolarHBondContact CB-O 3.35Å; W858-L863 WeakPolarHBondContact O-CB 3.29Å; W858-L863 PolarHBondContact O-N 3.4Å; W858-L865 HydrophobicContact CD2-CD1 3.35Å; W858-L865 HydrophobicContact CD2-CG 3.96Å; W858-L865 VanDerWaalsContact CE2-CD1 3.43Å; W858-L865 HydrophobicContact CE3-CB 3.97Å; W858-L865 HydrophobicContact CE3-CD1 3.43Å; W858-L865 VanDerWaalsContact CE3-CD1 3.43Å; W858-L865 HydrophobicContact CE3-CG 3.83Å; W858-L865 HydrophobicContact CG-CD1 3.98Å; W858-L865 HydrophobicContact CG-CG 4.32Å; W858-L865 HydrophobicContact CH2-CD1 3.68Å; W858-L865 HydrophobicContact CZ2-CD1 3.6Å; W858-L865 HydrophobicContact CZ3-CB 4.12Å; W858-L865 HydrophobicContact CZ3-CD1 3.6Å; W858-L865 HydrophobicContact CZ3-CG 4.27Å; W858-L867 HydrophobicContact CH2-CD1 4.14Å; W858-L867 HydrophobicContact CZ3-CD1 3.51Å; W858-L867 HydrophobicContact CZ3-CD2 4.3Å; W858-L867 HydrophobicContact CZ3-CG 3.82Å; W858-V940 HydrophobicContact CZ2-CG1 4.14Å; W858-A941 HydrophobicContact CH2-CB 4.42Å; W858-A1019 HydrophobicContact CZ2-CB 4.22Å; W858-A1019 PolarHBondContact NE1-O 2.96Å; W858-L1023 HydrophobicContact CZ2-CD1 3.79Å; W858-L1023 HydrophobicContact CZ2-CD2 4.15Å; W858-L1023 HydrophobicContact CZ2-CG 4Å
859	E	91.4	Very high	93	Very high	55 Å²	55	28.8 Å²	28.8	26%	0.257	16%	0.159	S	C	.	.	H	α-helix	trans	-62.1	-42	174.6	-176.2	175.5	-175.3	0	0	111.7	P208 E855 I857 E861 S862	P208-E859 HydrophobicContact CB-CG 4.41Å; P208-E859 HydrophobicContact CG-CG 3.46Å; P208-E859 VanDerWaalsContact CG-CG 3.46Å; P208-E859 VanDerWaalsContact CG-OE1 3.31Å; P208-E859 WeakPolarHBondContact CG-OE1 3.4Å; E855-E859 WeakPolarHBondContact O-CB 3.18Å; E855-E859 PolarHBondContact O-N 3.01Å; I857-E859 VanDerWaalsContact C-N 3.31Å; I857-E859 PolarHBondContact O-N 3.41Å; E859-E861 PolarHBondContact O-N 3.4Å; E859-S862 WeakPolarHBondContact O-CA 3.12Å; E859-S862 PolarHBondContact O-N 3.05Å
860	A	88.4	Confident	93.2	Very high	77 Å²	77	28.7 Å²	28.7	64%	0.636	16%	0.158	S	C	*	.	H	α-helix	trans	-60.4	-32	174.8	0	0	0	0	0	112.3	S856 I857 W858 S862	S856-A860 PolarHBondContact O-N 3.4Å; S856-A860 VanDerWaalsContact O-N 3.12Å; I857-A860 WeakPolarHBondContact O-CB 3.43Å; I857-A860 PolarHBondContact O-N 3.26Å; W858-A860 VanDerWaalsContact C-N 3.35Å; W858-A860 PolarHBondContact O-N 3.23Å; A860-S862 VanDerWaalsContact C-N 3.31Å
861	E	87.6	Confident	93.4	Very high	95 Å²	95	29 Å²	29	44%	0.444	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	11.7	173.9	-63.1	-64.9	159.8	0	0	113.3	I857 W858 E859 L863 A1022	I857-E861 PolarHBondContact O-N 3.18Å; W858-E861 CarbonylContact O-C 3.52Å; W858-E861 WeakPolarHBondContact O-CA 3.31Å; W858-E861 PolarHBondContact O-N 3.27Å; W858-E861 VanDerWaalsContact O-N 3.13Å; E859-E861 PolarHBondContact O-N 3.4Å; E861-L863 VanDerWaalsContact C-N 3.3Å; E861-L863 HydrophobicContact CB-CD1 4.41Å; E861-L863 PolarHBondContact O-N 3.2Å; E861-A1022 HydrophobicContact CB-CB 4.44Å; E861-A1022 HydrophobicContact CG-CB 3.98Å
862	S	89.5	Confident	93.5	Very high	49 Å²	49	29.5 Å²	29.5	34%	0.343	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	34.5	-178.7	-64.2	0	0	0	0	115.1	W858 E859 A860	W858-S862 PolarHBondContact O-N 3.07Å; W858-S862 VanDerWaalsContact O-N 3.12Å; E859-S862 WeakPolarHBondContact O-CA 3.12Å; E859-S862 PolarHBondContact O-N 3.05Å; A860-S862 VanDerWaalsContact C-N 3.31Å
863	L	92.8	Very high	93.6	Very high	36 Å²	36	25.5 Å²	25.5	19%	0.188	15%	0.15	C	C	.	.			trans	-109.9	122.1	175.8	-64.1	172.4	0	0	0	110.9	W858 E861 K1018	W858-L863 CarbonylContact C-O 3.07Å; W858-L863 HydrophobicContact CB-CB 4.02Å; W858-L863 WeakPolarHBondContact CB-O 3.35Å; W858-L863 WeakPolarHBondContact O-CB 3.29Å; W858-L863 PolarHBondContact O-N 3.4Å; E861-L863 VanDerWaalsContact C-N 3.3Å; E861-L863 HydrophobicContact CB-CD1 4.41Å; E861-L863 PolarHBondContact O-N 3.2Å; L863-K1018 HydrophobicContact CD1-CB 3.9Å; L863-K1018 HydrophobicContact CD2-CB 4.4Å; L863-K1018 HydrophobicContact CD2-CD 4.34Å
864	D	93.3	Very high	93.7	Very high	32 Å²	32	25.5 Å²	25.5	17%	0.171	15%	0.15	C	C	.	.			trans	-102.2	102.7	169.6	-175.7	8.5	0	0	0	110	Y210 K298 C866 Y933	Y210-D864 HydrophobicContact CD1-CB 4.18Å; Y210-D864 HydrophobicContact CD2-CB 3.96Å; Y210-D864 HydrophobicContact CE1-CB 4.08Å; Y210-D864 HydrophobicContact CE2-CB 3.84Å; Y210-D864 HydrophobicContact CG-CB 4.14Å; K298-D864 VanDerWaalsContact CE-CG 3.45Å; K298-D864 WeakPolarHBondContact CE-OD1 3.45Å; K298-D864 WeakPolarHBondContact CE-OD2 3.44Å; K298-D864 IonicContact NZ-OD1 2.79Å; K298-D864 PolarHBondContact NZ-OD1 3.49Å; K298-D864 IonicContact NZ-OD2 3.34Å; D864-C866 VanDerWaalsContact C-N 3.32Å; D864-C866 PolarHBondContact OD1-N 3.16Å; D864-Y933 WeakPolarHBondContact O-CD1 3.34Å
865	L	95.5	Very high	93.7	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	15%	0.15	C	C	.	.			trans	-91.7	7.3	177.8	-56.7	-168.4	0	0	0	113.3	W858 L867 Y933 S934 V1015 A1019	W858-L865 HydrophobicContact CD2-CD1 3.35Å; W858-L865 HydrophobicContact CD2-CG 3.96Å; W858-L865 VanDerWaalsContact CE2-CD1 3.43Å; W858-L865 HydrophobicContact CE3-CB 3.97Å; W858-L865 HydrophobicContact CE3-CD1 3.43Å; W858-L865 VanDerWaalsContact CE3-CD1 3.43Å; W858-L865 HydrophobicContact CE3-CG 3.83Å; W858-L865 HydrophobicContact CG-CD1 3.98Å; W858-L865 HydrophobicContact CG-CG 4.32Å; W858-L865 HydrophobicContact CH2-CD1 3.68Å; W858-L865 HydrophobicContact CZ2-CD1 3.6Å; W858-L865 HydrophobicContact CZ3-CB 4.12Å; W858-L865 HydrophobicContact CZ3-CD1 3.6Å; W858-L865 HydrophobicContact CZ3-CG 4.27Å; L865-L867 VanDerWaalsContact C-N 3.25Å; L865-L867 PolarHBondContact O-N 3.48Å; L865-L867 VanDerWaalsContact O-N 3.15Å; L865-Y933 HydrophobicContact CD2-CD1 4.24Å; L865-Y933 CarbonylContact O-C 3.57Å; L865-Y933 VanDerWaalsContact O-C 3.29Å; L865-S934 VanDerWaalsContact O-CA 3.23Å; L865-S934 WeakPolarHBondContact O-CA 3.42Å; L865-S934 PolarHBondContact O-N 2.87Å; L865-V1015 HydrophobicContact CD2-CG1 3.35Å; L865-A1019 HydrophobicContact CD1-CB 3.32Å; L865-A1019 HydrophobicContact CD2-CB 4.47Å; L865-A1019 HydrophobicContact CG-CB 4.48Å
866	C	94.4	Very high	93.6	Very high	18 Å²	18	23.7 Å²	23.7	12%	0.122	14%	0.142	C	C	.	.			trans	52.9	36	173.9	-61	0	0	0	0	114.1	D864 R930 N962	D864-C866 VanDerWaalsContact C-N 3.32Å; D864-C866 PolarHBondContact OD1-N 3.16Å; C866-R930 HydrophobicContact CB-CG 4.33Å; C866-N962 PolarHBondContact O-ND2 3.45Å; C866-N962 PolarHBondContact O-OD1 2.65Å
867	L	94.9	Very high	93.6	Very high	11 Å²	11	27.2 Å²	27.2	6%	0.058	16%	0.159	C	C	.	.			trans	-65.1	162.6	174.9	-58.1	-167.3	0	0	0	110.4	L851 E855 W858 L865 Y938	L851-L867 HydrophobicContact CB-CD1 4.11Å; L851-L867 HydrophobicContact CD2-CD1 3.89Å; L851-L867 HydrophobicContact CG-CD1 4.5Å; E855-L867 HydrophobicContact CG-CB 3.89Å; E855-L867 HydrophobicContact CG-CD1 3.93Å; E855-L867 HydrophobicContact CG-CG 3.96Å; E855-L867 WeakPolarHBondContact OE1-CB 3.42Å; E855-L867 PolarHBondContact OE1-N 3.28Å; W858-L867 HydrophobicContact CH2-CD1 4.14Å; W858-L867 HydrophobicContact CZ3-CD1 3.51Å; W858-L867 HydrophobicContact CZ3-CD2 4.3Å; W858-L867 HydrophobicContact CZ3-CG 3.82Å; L865-L867 VanDerWaalsContact C-N 3.25Å; L865-L867 PolarHBondContact O-N 3.48Å; L865-L867 VanDerWaalsContact O-N 3.15Å; L867-Y938 HydrophobicContact CB-CE2 4.24Å; L867-Y938 HydrophobicContact CD2-CD2 3.6Å; L867-Y938 HydrophobicContact CD2-CE2 3.6Å; L867-Y938 HydrophobicContact CD2-CG 4.08Å; L867-Y938 HydrophobicContact CG-CE2 4.49Å
868	L	94.4	Very high	93.5	Very high	35 Å²	35	30.3 Å²	30.3	18%	0.183	17%	0.172	C	C	.	.			trans	-130.4	74.9	177.7	-156.1	165	0	0	0	109.6	Y870 V885 Y938 T958 F964	L868-Y870 VanDerWaalsContact C-N 3.3Å; L868-Y870 PolarHBondContact O-N 3.3Å; L868-V885 HydrophobicContact CD1-CG1 3.78Å; L868-V885 HydrophobicContact CD2-CG1 4.17Å; L868-V885 HydrophobicContact CD2-CG2 3.61Å; L868-Y938 PolarHBondContact N-OH 2.86Å; L868-Y938 VanDerWaalsContact N-OH 3.1Å; L868-Y938 PolarHBondContact O-OH 2.92Å; L868-T958 HydrophobicContact CD1-CG2 4.24Å; L868-F964 HydrophobicContact CB-CB 3.92Å; L868-F964 HydrophobicContact CB-CG 4.22Å; L868-F964 HydrophobicContact CD1-CD1 4.1Å; L868-F964 HydrophobicContact CD1-CE1 4.36Å; L868-F964 HydrophobicContact CD1-CG 4.45Å
869	P	95.1	Very high	93.4	Very high	23 Å²	23	30.8 Å²	30.8	15%	0.149	18%	0.175	C	C	.	.			trans	-76.2	83.2	173.4	32.4	-34.3	0	0	0	110.3	L848 L851 R852 E855	L848-P869 HydrophobicContact CD2-CB 4.1Å; L851-P869 HydrophobicContact CB-CB 4.29Å; R852-P869 HydrophobicContact CG-CB 3.74Å; R852-P869 HydrophobicContact CG-CG 3.52Å; R852-P869 PolarHBondContact NH2-O 3.03Å; E855-P869 WeakPolarHBondContact OE2-CD 3.03Å; E855-P869 WeakPolarHBondContact OE2-CG 3.38Å
870	Y	96.2	Very high	93.7	Very high	11 Å²	11	28.2 Å²	28.2	4%	0.043	16%	0.162	C	C	.	.			trans	-57.2	158.2	178	57.6	-91	0	0	0	113	L848 R852 L868 C872 I882 E883 F964 I966 F968	L848-Y870 HydrophobicContact CD1-CD2 4.1Å; L848-Y870 HydrophobicContact CD1-CE2 3.75Å; L848-Y870 HydrophobicContact CD2-CD1 3.99Å; L848-Y870 HydrophobicContact CD2-CD2 4.44Å; L848-Y870 HydrophobicContact CD2-CE1 3.85Å; L848-Y870 HydrophobicContact CD2-CE2 4.34Å; L848-Y870 HydrophobicContact CD2-CG 4.27Å; R852-Y870 PolarHBondContact NH2-O 3.4Å; R852-Y870 VanDerWaalsContact NH2-O 3.08Å; L868-Y870 VanDerWaalsContact C-N 3.3Å; L868-Y870 PolarHBondContact O-N 3.3Å; Y870-C872 PolarHBondContact O-N 2.92Å; Y870-I882 HydrophobicContact CD2-CG2 3.71Å; Y870-I882 HydrophobicContact CE2-CG2 3.54Å; Y870-E883 WeakPolarHBondContact CA-OE2 3.5Å; Y870-F964 HydrophobicContact CD1-CD2 4.37Å; Y870-I966 HydrophobicContact CE1-CB 4.42Å; Y870-I966 HydrophobicContact CE1-CG2 3.74Å; Y870-I966 WeakPolarHBondContact OH-CA 3.45Å; Y870-F968 HydrophobicContact CE1-CE2 4.19Å; Y870-F968 WeakPolarHBondContact OH-CE2 3.38Å
871	G	96.4	Very high	94.1	Very high	5 Å²	5	24.6 Å²	24.6	5%	0.052	13%	0.133	C	C	.	.			trans	-62.4	127	176.7	0	0	0	0	0	111.7	I882 E883	G871-I882 CarbonylContact O-C 3.45Å; G871-I882 WeakPolarHBondContact O-CA 3.48Å; G871-E883 PolarHBondContact N-OE2 3.16Å; G871-E883 WeakPolarHBondContact O-CB 3.2Å; G871-E883 PolarHBondContact O-N 2.94Å
872	C	96.8	Very high	94.6	Very high	13 Å²	13	21 Å²	21	9%	0.088	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	129.1	172.8	-178.1	0	0	0	0	107.8	M845 L848 Y870 M881	M845-C872 WeakPolarHBondContact CG-O 3.37Å; L848-C872 HydrophobicContact CD1-CB 3.27Å; Y870-C872 PolarHBondContact O-N 2.92Å; C872-M881 WeakPolarHBondContact CA-O 3.33Å
873	I	96.6	Very high	95	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	128.4	-179.7	-161	165.9	0	0	0	111.3	F697 W700 P789 M845 T875 G880 M881	F697-I873 HydrophobicContact CD1-CD1 4.16Å; F697-I873 HydrophobicContact CE1-CD1 4.32Å; W700-I873 HydrophobicContact CB-CD1 3.46Å; W700-I873 VanDerWaalsContact CB-CD1 3.46Å; W700-I873 HydrophobicContact CB-CG1 4.06Å; W700-I873 HydrophobicContact CD2-CD1 4.48Å; W700-I873 HydrophobicContact CG-CD1 3.61Å; W700-I873 HydrophobicContact CG-CG1 4.43Å; P789-I873 HydrophobicContact CB-CD1 4.49Å; P789-I873 HydrophobicContact CB-CG2 3.8Å; P789-I873 VanDerWaalsContact O-CD1 3.25Å; P789-I873 WeakPolarHBondContact O-CD1 3.21Å; M845-I873 HydrophobicContact CE-CG1 4.3Å; I873-T875 HydrophobicContact CG2-CG2 4.08Å; I873-G880 CarbonylContact O-C 3.59Å; I873-G880 WeakPolarHBondContact O-CA 3.22Å; I873-M881 HydrophobicContact CG2-CB 4.23Å; I873-M881 PolarHBondContact N-O 3.21Å; I873-M881 PolarHBondContact O-N 3.37Å
874	S	95.1	Very high	95.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.4	168.6	-176	0	0	0	0	108.1	S704 Q708 M845 G876	S704-S874 WeakPolarHBondContact CB-OG 3.48Å; Q708-S874 PolarHBondContact NE2-OG 3.46Å; M845-S874 WeakPolarHBondContact SD-CB 3.33Å; M845-S874 PolarHBondContact SD-N 3Å; S874-G876 PolarHBondContact OG-O 3.22Å
875	T	95.6	Very high	95.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-2.8	-176.4	58.5	0	0	0	0	113.1	W700 R703 I742 I873 I879 G880	W700-T875 HydrophobicContact CE3-CG2 4.03Å; W700-T875 HydrophobicContact CZ3-CG2 4.01Å; R703-T875 PolarHBondContact NH1-O 2.74Å; I742-T875 HydrophobicContact CD1-CG2 3.75Å; I742-T875 HydrophobicContact CG1-CG2 4.37Å; I873-T875 HydrophobicContact CG2-CG2 4.08Å; T875-I879 PolarHBondContact N-O 3.32Å; T875-G880 WeakPolarHBondContact OG1-CA 3.4Å
876	G	91.8	Very high	95.1	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-161.7	-179.6	0	0	0	0	0	111.9	Q708 S874 K878 I879	Q708-G876 PolarHBondContact NE2-O 3Å; S874-G876 PolarHBondContact OG-O 3.22Å; G876-K878 PolarHBondContact O-N 3.44Å; G876-K878 VanDerWaalsContact O-N 3.11Å; G876-I879 PolarHBondContact O-N 2.9Å
877	N	90.6	Very high	95	Very high	96 Å²	96	29.3 Å²	29.3	51%	0.513	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	110.4	-176.3	-168.7	3.2	0	0	0	113.1	A707 Q708 I879	A707-N877 HydrophobicContact CB-CB 4.32Å; A707-N877 WeakPolarHBondContact O-CB 3.43Å; Q708-N877 HydrophobicContact CG-CB 4.25Å; N877-I879 PolarHBondContact O-N 3.16Å; N877-I879 VanDerWaalsContact O-N 3.09Å
878	K	90.9	Very high	95	Very high	73 Å²	73	29.7 Å²	29.7	32%	0.317	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	32.6	-177.9	-61.6	-172.3	178.1	-164	0	113.2	E496 H837 G838 D839 G876	E496-K878 IonicContact OE1-NZ 3.85Å; E496-K878 IonicContact OE2-NZ 3Å; E496-K878 PolarHBondContact OE2-NZ 2.86Å; E496-K878 VanDerWaalsContact OE2-NZ 3.14Å; H837-K878 CarbonylContact C-O 3.53Å; H837-K878 WeakPolarHBondContact CA-O 3.48Å; G838-K878 PolarHBondContact N-O 3.32Å; D839-K878 CarbonylContact O-C 3.45Å; D839-K878 VanDerWaalsContact O-C 3.29Å; D839-K878 VanDerWaalsContact O-CA 3.32Å; D839-K878 WeakPolarHBondContact O-CA 3.48Å; G876-K878 PolarHBondContact O-N 3.44Å; G876-K878 VanDerWaalsContact O-N 3.11Å
879	I	94.6	Very high	94.9	Very high	11 Å²	11	29.5 Å²	29.5	6%	0.056	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.1	174.7	58.4	171.4	0	0	0	111	I742 F835 K836 H837 T875 G876 N877	I742-I879 HydrophobicContact CG2-CD1 3.85Å; F835-I879 HydrophobicContact CZ-CB 4.41Å; F835-I879 HydrophobicContact CZ-CG2 4.5Å; K836-I879 WeakPolarHBondContact O-CA 3.47Å; H837-I879 HydrophobicContact CB-CG2 4.05Å; T875-I879 PolarHBondContact N-O 3.32Å; G876-I879 PolarHBondContact O-N 2.9Å; N877-I879 PolarHBondContact O-N 3.16Å; N877-I879 VanDerWaalsContact O-N 3.09Å
880	G	96.6	Very high	94.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	-177.8	172.2	0	0	0	0	0	114.4	K836 I873 T875	K836-G880 PolarHBondContact N-O 3.36Å; K836-G880 PolarHBondContact O-N 2.69Å; I873-G880 CarbonylContact O-C 3.59Å; I873-G880 WeakPolarHBondContact O-CA 3.22Å; T875-G880 WeakPolarHBondContact OG1-CA 3.4Å
881	M	98	Very high	94.5	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.2	-175.8	-69.5	-177.7	174.3	0	0	110.9	I742 L745 P789 Y790 I833 I834 F835 C872 I873	I742-M881 HydrophobicContact CG1-CE 3.72Å; L745-M881 HydrophobicContact CD1-CE 3.97Å; P789-M881 HydrophobicContact CB-SD 4.47Å; P789-M881 HydrophobicContact CG-SD 3.74Å; Y790-M881 HydrophobicContact CD1-CB 4.24Å; Y790-M881 HydrophobicContact CE1-CB 4.49Å; I833-M881 HydrophobicContact CG2-CB 3.97Å; I833-M881 HydrophobicContact CG2-CG 3.95Å; I833-M881 HydrophobicContact CG2-SD 4.09Å; I834-M881 CarbonylContact O-C 3.52Å; I834-M881 WeakPolarHBondContact O-CA 3.3Å; F835-M881 HydrophobicContact CD2-CE 4.02Å; F835-M881 HydrophobicContact CD2-CG 4.11Å; F835-M881 HydrophobicContact CE2-CE 4.47Å; C872-M881 WeakPolarHBondContact CA-O 3.33Å; I873-M881 HydrophobicContact CG2-CB 4.23Å; I873-M881 PolarHBondContact N-O 3.21Å; I873-M881 PolarHBondContact O-N 3.37Å
882	I	97.6	Very high	94.1	Very high	20 Å²	20	29 Å²	29	10%	0.103	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.3	178	-52.3	173	0	0	0	108.5	I834 K836 L841 Y870 G871	I834-I882 HydrophobicContact CB-CB 4.16Å; I834-I882 PolarHBondContact N-O 2.76Å; I834-I882 PolarHBondContact O-N 3.39Å; K836-I882 HydrophobicContact CD-CD1 3.94Å; L841-I882 HydrophobicContact CD1-CD1 4.15Å; L841-I882 HydrophobicContact CD1-CG1 3.91Å; L841-I882 HydrophobicContact CD2-CD1 4.14Å; Y870-I882 HydrophobicContact CD2-CG2 3.71Å; Y870-I882 HydrophobicContact CE2-CG2 3.54Å; G871-I882 CarbonylContact O-C 3.45Å; G871-I882 WeakPolarHBondContact O-CA 3.48Å
883	E	97.9	Very high	93.7	Very high	70 Å²	70	34.6 Å²	34.6	33%	0.327	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	138.7	175.1	-178.1	-176.7	-172.3	0	0	111.2	Y790 Y870 G871	Y790-E883 HydrophobicContact CD2-CB 4.31Å; Y790-E883 HydrophobicContact CE1-CB 4.24Å; Y790-E883 HydrophobicContact CE2-CB 3.71Å; Y790-E883 HydrophobicContact CE2-CG 3.94Å; Y870-E883 WeakPolarHBondContact CA-OE2 3.5Å; G871-E883 PolarHBondContact N-OE2 3.16Å; G871-E883 WeakPolarHBondContact O-CB 3.2Å; G871-E883 PolarHBondContact O-N 2.94Å
884	I	96.4	Very high	93.4	Very high	21 Å²	21	34.6 Å²	34.6	11%	0.108	17%	0.174	C	C	.	.			trans	-92.2	112.3	169.2	-61.1	176.7	0	0	0	108.8	W815 G832 I834 K886	W815-I884 HydrophobicContact CD2-CD1 3.48Å; W815-I884 VanDerWaalsContact CD2-CD1 3.48Å; W815-I884 VanDerWaalsContact CE2-CD1 3.47Å; W815-I884 HydrophobicContact CE3-CD1 3.74Å; W815-I884 HydrophobicContact CE3-CG1 4.47Å; W815-I884 HydrophobicContact CG-CD1 4.01Å; W815-I884 HydrophobicContact CH2-CD1 3.97Å; W815-I884 HydrophobicContact CH2-CG1 4.41Å; W815-I884 HydrophobicContact CH2-CG2 3.45Å; W815-I884 VanDerWaalsContact CH2-CG2 3.45Å; W815-I884 HydrophobicContact CZ2-CD1 3.74Å; W815-I884 HydrophobicContact CZ2-CG2 3.7Å; W815-I884 HydrophobicContact CZ3-CD1 3.97Å; W815-I884 HydrophobicContact CZ3-CG1 4.36Å; W815-I884 HydrophobicContact CZ3-CG2 4.12Å; G832-I884 PolarHBondContact O-N 3.25Å; I834-I884 HydrophobicContact CD1-CG1 4.01Å; I834-I884 HydrophobicContact CG1-CD1 3.89Å; I834-I884 HydrophobicContact CG1-CG1 3.68Å; I884-K886 PolarHBondContact O-N 3.39Å
885	V	95.1	Very high	92.9	Very high	26 Å²	26	34.8 Å²	34.8	16%	0.158	18%	0.175	C	C	.	.			trans	-69	121.2	171.3	-173.4	0	0	0	0	109.2	L868 A888 T958 F964	L868-V885 HydrophobicContact CD1-CG1 3.78Å; L868-V885 HydrophobicContact CD2-CG1 4.17Å; L868-V885 HydrophobicContact CD2-CG2 3.61Å; V885-A888 HydrophobicContact CB-CB 4.19Å; V885-A888 HydrophobicContact CG1-CB 4.01Å; V885-T958 HydrophobicContact CG1-CG2 4.16Å; V885-F964 HydrophobicContact CB-CE2 4.26Å; V885-F964 HydrophobicContact CB-CZ 3.77Å; V885-F964 HydrophobicContact CG1-CE1 4.08Å; V885-F964 HydrophobicContact CG1-CZ 3.85Å; V885-F964 HydrophobicContact CG2-CE2 3.86Å; V885-F964 HydrophobicContact CG2-CZ 3.88Å
886	K	91.6	Very high	92.3	Very high	91 Å²	91	38.4 Å²	38.4	40%	0.396	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	155.8	179.3	-67.5	177.3	-177.8	165.4	0	111.6	E829 T830 I884 A888	E829-K886 VanDerWaalsContact CB-NZ 3.28Å; E829-K886 VanDerWaalsContact OE2-CD 3.28Å; E829-K886 WeakPolarHBondContact OE2-CD 3.24Å; E829-K886 WeakPolarHBondContact OE2-CE 3.28Å; E829-K886 IonicContact OE2-NZ 3.25Å; E829-K886 PolarHBondContact OE2-NZ 3.07Å; T830-K886 WeakPolarHBondContact O-CE 3.37Å; T830-K886 PolarHBondContact O-NZ 2.96Å; I884-K886 PolarHBondContact O-N 3.39Å; K886-A888 PolarHBondContact O-N 2.84Å
887	D	92.4	Very high	91.7	Very high	105 Å²	105	42.5 Å²	42.5	56%	0.561	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	32.1	176.3	-50.2	-37.4	0	0	0	113.4	T958 E959	D887-T958 CarbonylContact O-C 3.46Å; D887-T958 VanDerWaalsContact O-CA 3.26Å; D887-T958 WeakPolarHBondContact O-CA 3.36Å; D887-E959 HydrophobicContact CB-CB 4.28Å; D887-E959 HydrophobicContact CB-CG 4.01Å; D887-E959 WeakPolarHBondContact O-CG 3.42Å; D887-E959 PolarHBondContact O-N 3.1Å
888	A	94.7	Very high	90.7	Very high	19 Å²	19	41.4 Å²	41.4	16%	0.157	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.2	-179	0	0	0	0	0	111	V885 K886 M956 I957 T958 F964	V885-A888 HydrophobicContact CB-CB 4.19Å; V885-A888 HydrophobicContact CG1-CB 4.01Å; K886-A888 PolarHBondContact O-N 2.84Å; A888-M956 HydrophobicContact CB-CE 3.8Å; A888-I957 WeakPolarHBondContact CA-O 3.33Å; A888-T958 HydrophobicContact CB-CG2 4.17Å; A888-F964 HydrophobicContact CB-CE1 3.8Å; A888-F964 HydrophobicContact CB-CZ 3.71Å
889	T	92.9	Very high	89.7	Confident	30 Å²	30	40.3 Å²	40.3	18%	0.184	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.9	178.8	-59.4	0	0	0	0	110.2	K893 I894 M956 I957	T889-K893 HydrophobicContact CG2-CB 3.79Å; T889-K893 HydrophobicContact CG2-CD 3.87Å; T889-K893 HydrophobicContact CG2-CG 3.83Å; T889-I894 HydrophobicContact CG2-CD1 4.48Å; T889-I894 HydrophobicContact CG2-CG1 3.84Å; T889-M956 WeakPolarHBondContact O-CA 3.37Å; T889-I957 PolarHBondContact N-O 3.39Å; T889-I957 PolarHBondContact O-N 2.84Å
890	T	92.5	Very high	88.6	Confident	27 Å²	27	41.2 Å²	41.2	17%	0.166	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	145.6	173.8	63	0	0	0	0	110.7	A892 K893 I894 D953 I955 M956	T890-A892 PolarHBondContact O-N 3.34Å; T890-K893 PolarHBondContact O-N 2.85Å; T890-K893 VanDerWaalsContact O-N 3.08Å; T890-K893 VanDerWaalsContact OG1-CB 3.28Å; T890-K893 WeakPolarHBondContact OG1-CB 3.46Å; T890-K893 PolarHBondContact OG1-N 2.94Å; T890-I894 PolarHBondContact O-N 3.3Å; T890-I894 VanDerWaalsContact O-N 3.14Å; T890-D953 WeakPolarHBondContact CG2-O 3.37Å; T890-I955 WeakPolarHBondContact CA-O 3.48Å; T890-M956 HydrophobicContact CG2-CE 4.36Å; T890-M956 HydrophobicContact CG2-CG 3.87Å; T890-M956 HydrophobicContact CG2-SD 4.35Å
891	I	91.3	Very high	87.3	Confident	1 Å²	1	45 Å²	45	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-57.9	-38.3	176.5	-57.7	-58.7	0	0	0	110.5	K893 I894 Q895 L910 N952 I955 I957 L963 F994 W1089	I891-K893 PolarHBondContact O-N 3.04Å; I891-I894 PolarHBondContact O-N 3.31Å; I891-Q895 HydrophobicContact CG2-CG 4.32Å; I891-Q895 WeakPolarHBondContact O-CG 3.41Å; I891-Q895 PolarHBondContact O-N 3.31Å; I891-L910 HydrophobicContact CD1-CD1 3.71Å; I891-L910 HydrophobicContact CD1-CD2 4.2Å; I891-N952 HydrophobicContact CB-CB 4.04Å; I891-N952 HydrophobicContact CG2-CB 4.09Å; I891-N952 PolarHBondContact N-O 2.99Å; I891-I955 HydrophobicContact CG1-CB 4.1Å; I891-I955 HydrophobicContact CG1-CG2 3.88Å; I891-I955 PolarHBondContact N-O 2.97Å; I891-I957 HydrophobicContact CD1-CB 4.15Å; I891-I957 HydrophobicContact CD1-CG2 3.88Å; I891-L963 HydrophobicContact CD1-CD1 4.3Å; I891-F994 HydrophobicContact CD1-CE1 4.35Å; I891-F994 HydrophobicContact CG1-CE1 4.35Å; I891-F994 HydrophobicContact CG1-CZ 4.49Å; I891-W1089 HydrophobicContact CG2-CH2 4.37Å; I891-W1089 HydrophobicContact CG2-CZ3 3.99Å
892	A	87.7	Confident	86.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57	-45.8	175.4	0	0	0	0	0	112.4	T890 I894 Q895 Q896 N952 D953 L1093	T890-A892 PolarHBondContact O-N 3.34Å; A892-I894 PolarHBondContact O-N 2.88Å; A892-Q895 PolarHBondContact O-N 3.25Å; A892-Q896 WeakPolarHBondContact O-CB 3.45Å; A892-Q896 WeakPolarHBondContact O-CG 3.48Å; A892-Q896 PolarHBondContact O-N 3.34Å; A892-N952 HydrophobicContact CB-CB 4.03Å; A892-N952 PolarHBondContact N-O 3.31Å; A892-D953 HydrophobicContact CB-CB 4.35Å; A892-D953 WeakPolarHBondContact CB-OD1 3.45Å; A892-L1093 HydrophobicContact CB-CD2 4.06Å
893	K	88.4	Confident	84.7	Confident	131 Å²	131	47.3 Å²	47.3	57%	0.57	26%	0.264	S	S	*	.	H	α-helix	trans	-67.6	-36.3	179.8	-179.5	168.8	171.5	-164.7	0	111.9	T889 T890 I891 S897	T889-K893 HydrophobicContact CG2-CB 3.79Å; T889-K893 HydrophobicContact CG2-CD 3.87Å; T889-K893 HydrophobicContact CG2-CG 3.83Å; T890-K893 PolarHBondContact O-N 2.85Å; T890-K893 VanDerWaalsContact O-N 3.08Å; T890-K893 VanDerWaalsContact OG1-CB 3.28Å; T890-K893 WeakPolarHBondContact OG1-CB 3.46Å; T890-K893 PolarHBondContact OG1-N 2.94Å; I891-K893 PolarHBondContact O-N 3.04Å; K893-S897 WeakPolarHBondContact O-CB 3.41Å; K893-S897 PolarHBondContact O-N 3.05Å; K893-S897 VanDerWaalsContact O-N 3.07Å; K893-S897 PolarHBondContact O-OG 3.38Å
894	I	89	Confident	83.4	Confident	2 Å²	2	44 Å²	44	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-51.4	173.7	-64.8	170.8	0	0	0	109.9	T889 T890 I891 A892 Q896 S897 I909 L910 W913 I957	T889-I894 HydrophobicContact CG2-CD1 4.48Å; T889-I894 HydrophobicContact CG2-CG1 3.84Å; T890-I894 PolarHBondContact O-N 3.3Å; T890-I894 VanDerWaalsContact O-N 3.14Å; I891-I894 PolarHBondContact O-N 3.31Å; A892-I894 PolarHBondContact O-N 2.88Å; I894-Q896 PolarHBondContact O-N 3.33Å; I894-S897 PolarHBondContact O-N 2.8Å; I894-S897 PolarHBondContact O-OG 2.96Å; I894-I909 HydrophobicContact CG2-CG2 4.12Å; I894-L910 HydrophobicContact CD1-CD1 4.02Å; I894-W913 HydrophobicContact CD1-CD2 3.67Å; I894-W913 HydrophobicContact CD1-CE3 3.88Å; I894-W913 HydrophobicContact CD1-CG 4.11Å; I894-W913 HydrophobicContact CD1-CH2 4.36Å; I894-W913 HydrophobicContact CD1-CZ2 4.18Å; I894-W913 HydrophobicContact CD1-CZ3 4.23Å; I894-W913 HydrophobicContact CG1-CD2 4.11Å; I894-W913 HydrophobicContact CG1-CG 4.15Å; I894-W913 HydrophobicContact CG2-CB 3.65Å; I894-W913 HydrophobicContact CG2-CD2 4.38Å; I894-W913 HydrophobicContact CG2-CG 3.68Å; I894-I957 HydrophobicContact CD1-CG2 3.42Å; I894-I957 VanDerWaalsContact CD1-CG2 3.42Å
895	Q	85.4	Confident	82.4	Confident	3 Å²	3	47.2 Å²	47.2	1%	0.014	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-43.7	179.1	-71.8	170.8	-12.5	0	0	112.6	I891 A892 S897 N952 D993	I891-Q895 HydrophobicContact CG2-CG 4.32Å; I891-Q895 WeakPolarHBondContact O-CG 3.41Å; I891-Q895 PolarHBondContact O-N 3.31Å; A892-Q895 PolarHBondContact O-N 3.25Å; Q895-S897 VanDerWaalsContact C-N 3.32Å; Q895-S897 PolarHBondContact O-N 2.8Å; Q895-N952 PolarHBondContact OE1-ND2 3.09Å; Q895-D993 PolarHBondContact NE2-OD2 3.35Å; Q895-D993 VanDerWaalsContact NE2-OD2 3.09Å
896	Q	83.3	Confident	81.8	Confident	77 Å²	77	49.8 Å²	49.8	36%	0.36	27%	0.271	S	S	.	.	H	α-helix	trans	-63.6	-36.4	177.5	-74.1	169.7	15.3	0	0	112.5	A892 I894 T898 G900 L1093	A892-Q896 WeakPolarHBondContact O-CB 3.45Å; A892-Q896 WeakPolarHBondContact O-CG 3.48Å; A892-Q896 PolarHBondContact O-N 3.34Å; I894-Q896 PolarHBondContact O-N 3.33Å; Q896-T898 VanDerWaalsContact C-N 3.31Å; Q896-T898 PolarHBondContact O-N 2.79Å; Q896-G900 VanDerWaalsContact O-CA 3.29Å; Q896-G900 WeakPolarHBondContact O-CA 3.49Å; Q896-G900 PolarHBondContact O-N 3.46Å; Q896-L1093 HydrophobicContact CG-CD2 3.68Å
897	S	79.6	Confident	81.5	Confident	87 Å²	87	47.7 Å²	47.7	61%	0.608	26%	0.264	S	S	*	.	H	α-helix	trans	-67.2	-28.4	-173	70.3	0	0	0	0	113.9	K893 I894 Q895	K893-S897 WeakPolarHBondContact O-CB 3.41Å; K893-S897 PolarHBondContact O-N 3.05Å; K893-S897 VanDerWaalsContact O-N 3.07Å; K893-S897 PolarHBondContact O-OG 3.38Å; I894-S897 PolarHBondContact O-N 2.8Å; I894-S897 PolarHBondContact O-OG 2.96Å; Q895-S897 VanDerWaalsContact C-N 3.32Å; Q895-S897 PolarHBondContact O-N 2.8Å
898	T	69.8	Low	81.3	Confident	73 Å²	73	46.6 Å²	46.6	45%	0.448	26%	0.255	S	S	.	.	H	α-helix	trans	-95.3	-34.8	-175.3	-45.4	0	0	0	0	113.9	Q896 I909	Q896-T898 VanDerWaalsContact C-N 3.31Å; Q896-T898 PolarHBondContact O-N 2.79Å; T898-I909 HydrophobicContact CG2-CD1 3.6Å
899	V	69.3	Low	81.1	Confident	50 Å²	50	45.9 Å²	45.9	30%	0.303	25%	0.249	S	C	.	.	H	α-helix	trans	-138.7	4.8	-172.1	-154.8	0	0	0	0	113.3	T902 K906 I909	V899-T902 PolarHBondContact O-OG1 2.94Å; V899-K906 HydrophobicContact CG2-CD 3.89Å; V899-I909 HydrophobicContact CG2-CD1 4Å
900	G	71.6	Confident	81	Confident	30 Å²	30	44.6 Å²	44.6	31%	0.309	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	71.9	-153.5	-171.9	0	0	0	0	0	112.4	Q896 T902 G903	Q896-G900 VanDerWaalsContact O-CA 3.29Å; Q896-G900 WeakPolarHBondContact O-CA 3.49Å; Q896-G900 PolarHBondContact O-N 3.46Å; G900-T902 PolarHBondContact O-N 3.11Å; G900-G903 PolarHBondContact O-N 2.8Å
901	N	69.8	Low	81	Confident	80 Å²	80	44.8 Å²	44.8	43%	0.428	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-67.1	-9.5	-169.3	-60.8	-17.3	0	0	0	114.9	F1090 V1094	N901-F1090 WeakPolarHBondContact O-CD2 3.36Å; N901-F1090 WeakPolarHBondContact O-CE2 3.46Å; N901-V1094 HydrophobicContact CB-CG2 3.62Å
902	T	73.6	Confident	81	Confident	71 Å²	71	48.9 Å²	48.9	44%	0.436	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-89	-3.3	174.3	56.3	0	0	0	0	113.5	V899 G900 A904 F905 F1090	V899-T902 PolarHBondContact O-OG1 2.94Å; G900-T902 PolarHBondContact O-N 3.11Å; T902-A904 PolarHBondContact O-N 3.02Å; T902-A904 VanDerWaalsContact O-N 3.08Å; T902-F905 PolarHBondContact O-N 3.46Å; T902-F1090 HydrophobicContact CG2-CE2 3.95Å
903	G	65.5	Low	81.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-59	-20.9	-177.3	0	0	0	0	0	115	G900 F905 K906	G900-G903 PolarHBondContact O-N 2.8Å; G903-F905 PolarHBondContact O-N 3.23Å; G903-K906 PolarHBondContact O-N 3.38Å
904	A	72.2	Confident	81.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-65.7	-14.8	176.6	0	0	0	0	0	115	T902 Q1086 W1089 F1090 L1093	T902-A904 PolarHBondContact O-N 3.02Å; T902-A904 VanDerWaalsContact O-N 3.08Å; A904-Q1086 VanDerWaalsContact O-CG 3.3Å; A904-Q1086 WeakPolarHBondContact O-CG 3.49Å; A904-Q1086 PolarHBondContact O-NE2 3.31Å; A904-W1089 HydrophobicContact CB-CB 4.16Å; A904-F1090 HydrophobicContact CB-CB 4.19Å; A904-L1093 HydrophobicContact CB-CD1 3.63Å
905	F	74.8	Confident	81.7	Confident	88 Å²	88	48.7 Å²	48.7	39%	0.386	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-99.3	3.9	178.4	-64.3	-61.7	0	0	0	114.3	T902 G903 Q1086 F1087 F1090	T902-F905 PolarHBondContact O-N 3.46Å; G903-F905 PolarHBondContact O-N 3.23Å; F905-Q1086 HydrophobicContact CD1-CB 4.44Å; F905-F1087 HydrophobicContact CE1-CB 4.25Å; F905-F1087 HydrophobicContact CE1-CD2 4.21Å; F905-F1087 AromaticContact CZ-CD2 3.87Å; F905-F1087 HydrophobicContact CZ-CD2 3.87Å; F905-F1090 HydrophobicContact CD2-CB 4.36Å; F905-F1090 AromaticContact CD2-CD2 3.88Å; F905-F1090 HydrophobicContact CD2-CD2 3.88Å; F905-F1090 HydrophobicContact CD2-CE2 4.35Å; F905-F1090 HydrophobicContact CD2-CG 4.13Å; F905-F1090 HydrophobicContact CE1-CB 4.23Å; F905-F1090 HydrophobicContact CE2-CB 3.55Å; F905-F1090 AromaticContact CE2-CD1 3.61Å; F905-F1090 HydrophobicContact CE2-CD1 3.61Å; F905-F1090 AromaticContact CE2-CD2 3.28Å; F905-F1090 HydrophobicContact CE2-CD2 3.28Å; F905-F1090 HydrophobicContact CE2-CE1 4.05Å; F905-F1090 AromaticContact CE2-CE2 3.76Å; F905-F1090 HydrophobicContact CE2-CE2 3.76Å; F905-F1090 AromaticContact CE2-CG 3.17Å; F905-F1090 HydrophobicContact CE2-CG 3.17Å; F905-F1090 HydrophobicContact CE2-CZ 4.09Å; F905-F1090 HydrophobicContact CZ-CB 3.45Å; F905-F1090 VanDerWaalsContact CZ-CB 3.45Å; F905-F1090 AromaticContact CZ-CD1 3.71Å; F905-F1090 HydrophobicContact CZ-CD1 3.71Å; F905-F1090 HydrophobicContact CZ-CD2 4.08Å; F905-F1090 HydrophobicContact CZ-CE1 4.44Å; F905-F1090 AromaticContact CZ-CG 3.48Å; F905-F1090 HydrophobicContact CZ-CG 3.48Å; F905-F1090 VanDerWaalsContact CZ-CG 3.48Å
906	K	82.1	Confident	82	Confident	81 Å²	81	53.8 Å²	53.8	35%	0.352	28%	0.283	S	S	.	.			trans	-107	114.9	178	-67.8	-157.3	-172.1	176.2	0	110.4	V899 G903 E908 I909	V899-K906 HydrophobicContact CG2-CD 3.89Å; G903-K906 PolarHBondContact O-N 3.38Å; K906-E908 VanDerWaalsContact C-N 3.33Å; K906-E908 PolarHBondContact O-N 2.81Å; K906-I909 HydrophobicContact CB-CD1 4.21Å; K906-I909 HydrophobicContact CB-CG1 3.49Å; K906-I909 VanDerWaalsContact CB-CG1 3.49Å; K906-I909 HydrophobicContact CD-CD1 4.15Å; K906-I909 HydrophobicContact CD-CG1 4.31Å
907	D	84.8	Confident	82.4	Confident	46 Å²	46	56.1 Å²	56.1	25%	0.246	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-30	-172.5	-58.9	-14.8	0	0	0	111.7	I909 P992 D993 F996 Q1086	D907-I909 PolarHBondContact O-N 2.88Å; D907-P992 WeakPolarHBondContact OD1-CB 3.43Å; D907-D993 WeakPolarHBondContact O-CA 3.21Å; D907-F996 HydrophobicContact CB-CB 4.2Å; D907-F996 HydrophobicContact CB-CD2 4.11Å; D907-F996 HydrophobicContact CB-CG 4.36Å; D907-F996 WeakPolarHBondContact O-CB 3.44Å; D907-Q1086 PolarHBondContact OD1-NE2 2.89Å
908	E	88.6	Confident	82.9	Confident	82 Å²	82	52.5 Å²	52.5	38%	0.383	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-15.2	-174.8	64.3	-86	-171.8	0	0	115.5	K906 L910 N911 Q912 F996	K906-E908 VanDerWaalsContact C-N 3.33Å; K906-E908 PolarHBondContact O-N 2.81Å; E908-L910 PolarHBondContact O-N 3.31Å; E908-N911 PolarHBondContact O-N 3.1Å; E908-Q912 WeakPolarHBondContact O-CB 3.45Å; E908-Q912 PolarHBondContact O-N 3.06Å; E908-F996 HydrophobicContact CB-CD1 4.31Å; E908-F996 HydrophobicContact CB-CE1 3.78Å; E908-F996 HydrophobicContact CB-CE2 4.38Å; E908-F996 HydrophobicContact CB-CZ 3.82Å
909	I	89.9	Confident	83.8	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-43.9	-167.1	-63.1	-63.1	0	0	0	112.6	I894 T898 V899 K906 D907 Q912 W913	I894-I909 HydrophobicContact CG2-CG2 4.12Å; T898-I909 HydrophobicContact CG2-CD1 3.6Å; V899-I909 HydrophobicContact CG2-CD1 4Å; K906-I909 HydrophobicContact CB-CD1 4.21Å; K906-I909 HydrophobicContact CB-CG1 3.49Å; K906-I909 VanDerWaalsContact CB-CG1 3.49Å; K906-I909 HydrophobicContact CD-CD1 4.15Å; K906-I909 HydrophobicContact CD-CG1 4.31Å; D907-I909 PolarHBondContact O-N 2.88Å; I909-Q912 PolarHBondContact O-N 3.21Å; I909-W913 WeakPolarHBondContact O-CB 3.47Å; I909-W913 PolarHBondContact O-N 2.63Å
910	L	91.3	Very high	84.9	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-43.6	-179.6	-177.6	60.6	0	0	0	111.2	I891 I894 E908 W913 L914 F931 I957 D993 F994 V997	I891-L910 HydrophobicContact CD1-CD1 3.71Å; I891-L910 HydrophobicContact CD1-CD2 4.2Å; I894-L910 HydrophobicContact CD1-CD1 4.02Å; E908-L910 PolarHBondContact O-N 3.31Å; L910-W913 PolarHBondContact O-N 3.15Å; L910-L914 PolarHBondContact O-N 3.18Å; L910-F931 HydrophobicContact CD2-CE2 4.07Å; L910-F931 HydrophobicContact CD2-CZ 4.23Å; L910-I957 HydrophobicContact CD1-CD1 4.19Å; L910-I957 HydrophobicContact CD1-CG2 4.16Å; L910-D993 HydrophobicContact CB-CB 4.45Å; L910-F994 HydrophobicContact CD2-CD1 3.62Å; L910-F994 HydrophobicContact CD2-CE1 3.81Å; L910-V997 HydrophobicContact CB-CG2 4.21Å; L910-V997 HydrophobicContact CD2-CG2 3.93Å; L910-V997 HydrophobicContact CG-CG2 3.89Å
911	N	92.7	Very high	85.7	Confident	32 Å²	32	60.7 Å²	60.7	17%	0.171	30%	0.295	C	S	.	.	H	α-helix	trans	-65.2	-40.8	177.7	-174.4	58.4	0	0	0	111.9	E908 L914 K915 F924 F996 V997	E908-N911 PolarHBondContact O-N 3.1Å; N911-L914 PolarHBondContact O-N 3.07Å; N911-K915 WeakPolarHBondContact O-CB 3.39Å; N911-K915 PolarHBondContact O-N 2.7Å; N911-F924 WeakPolarHBondContact OD1-CZ 3.41Å; N911-F996 HydrophobicContact CB-CD1 3.71Å; N911-F996 HydrophobicContact CB-CE1 4.08Å; N911-V997 HydrophobicContact CB-CG2 3.92Å
912	Q	91.9	Very high	86.8	Confident	87 Å²	87	64.7 Å²	64.7	41%	0.407	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-47	175.1	-177	179.5	-10.7	0	0	111	E908 I909 L914 K915 E916	E908-Q912 WeakPolarHBondContact O-CB 3.45Å; E908-Q912 PolarHBondContact O-N 3.06Å; I909-Q912 PolarHBondContact O-N 3.21Å; Q912-L914 VanDerWaalsContact C-N 3.31Å; Q912-L914 PolarHBondContact O-N 3.47Å; Q912-K915 PolarHBondContact O-N 3.02Å; Q912-E916 HydrophobicContact CG-CG 4.47Å; Q912-E916 WeakPolarHBondContact CG-OE1 3.39Å; Q912-E916 PolarHBondContact NE2-OE1 2.9Å; Q912-E916 WeakPolarHBondContact O-CG 3.36Å; Q912-E916 PolarHBondContact O-N 3.05Å
913	W	93.4	Very high	87.5	Confident	16 Å²	16	67.6 Å²	67.6	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-57.6	-44.6	176.4	179.1	90.6	0	0	0	111.7	I894 I909 L910 K915 E916 R917 I957 E959	I894-W913 HydrophobicContact CD1-CD2 3.67Å; I894-W913 HydrophobicContact CD1-CE3 3.88Å; I894-W913 HydrophobicContact CD1-CG 4.11Å; I894-W913 HydrophobicContact CD1-CH2 4.36Å; I894-W913 HydrophobicContact CD1-CZ2 4.18Å; I894-W913 HydrophobicContact CD1-CZ3 4.23Å; I894-W913 HydrophobicContact CG1-CD2 4.11Å; I894-W913 HydrophobicContact CG1-CG 4.15Å; I894-W913 HydrophobicContact CG2-CB 3.65Å; I894-W913 HydrophobicContact CG2-CD2 4.38Å; I894-W913 HydrophobicContact CG2-CG 3.68Å; I909-W913 WeakPolarHBondContact O-CB 3.47Å; I909-W913 PolarHBondContact O-N 2.63Å; L910-W913 PolarHBondContact O-N 3.15Å; W913-K915 VanDerWaalsContact C-N 3.33Å; W913-K915 PolarHBondContact O-N 3.31Å; W913-E916 PolarHBondContact O-N 3.05Å; W913-R917 HydrophobicContact CD2-CG 4.25Å; W913-R917 HydrophobicContact CE3-CG 4.42Å; W913-R917 HydrophobicContact CH2-CG 4.18Å; W913-R917 HydrophobicContact CZ2-CG 3.98Å; W913-R917 HydrophobicContact CZ3-CG 4.39Å; W913-R917 WeakPolarHBondContact O-CG 3.47Å; W913-R917 PolarHBondContact O-N 2.86Å; W913-R917 VanDerWaalsContact O-N 3.12Å; W913-I957 HydrophobicContact CE3-CG2 4.3Å; W913-I957 HydrophobicContact CH2-CG2 4.11Å; W913-I957 HydrophobicContact CZ3-CG2 3.74Å; W913-E959 HydrophobicContact CH2-CG 4.03Å; W913-E959 HydrophobicContact CZ2-CG 4.23Å
914	L	92.9	Very high	88.8	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.8	-39.2	179.2	-166.1	65.8	0	0	0	111.7	L910 N911 Q912 R917 C918 F924 A927 V928 I957 V997	L910-L914 PolarHBondContact O-N 3.18Å; N911-L914 PolarHBondContact O-N 3.07Å; Q912-L914 VanDerWaalsContact C-N 3.31Å; Q912-L914 PolarHBondContact O-N 3.47Å; L914-R917 PolarHBondContact O-N 2.75Å; L914-C918 WeakPolarHBondContact O-CB 3.36Å; L914-C918 PolarHBondContact O-N 2.72Å; L914-F924 HydrophobicContact CB-CE2 4.32Å; L914-F924 HydrophobicContact CD2-CE2 4.42Å; L914-F924 HydrophobicContact CG-CE2 4.36Å; L914-A927 HydrophobicContact CD1-CB 4.16Å; L914-A927 HydrophobicContact CD2-CB 4.12Å; L914-A927 HydrophobicContact CG-CB 4.19Å; L914-V928 HydrophobicContact CD2-CG2 4.27Å; L914-I957 HydrophobicContact CD1-CD1 4.39Å; L914-V997 HydrophobicContact CD2-CG1 4.31Å
915	K	92.4	Very high	89.8	Confident	112 Å²	112	71.9 Å²	71.9	49%	0.487	34%	0.338	S	S	.	.	H	α-helix	trans	-66.7	-34.9	175.5	-166.6	168.7	-174	167.9	0	112.8	N911 Q912 W913 R917 C918 F924	N911-K915 WeakPolarHBondContact O-CB 3.39Å; N911-K915 PolarHBondContact O-N 2.7Å; Q912-K915 PolarHBondContact O-N 3.02Å; W913-K915 VanDerWaalsContact C-N 3.33Å; W913-K915 PolarHBondContact O-N 3.31Å; K915-R917 VanDerWaalsContact C-N 3.34Å; K915-C918 CarbonylContact O-C 3.57Å; K915-C918 VanDerWaalsContact O-C 3.24Å; K915-C918 PolarHBondContact O-N 2.77Å; K915-F924 HydrophobicContact CB-CD2 3.97Å; K915-F924 HydrophobicContact CB-CE2 3.69Å; K915-F924 HydrophobicContact CB-CZ 4.26Å; K915-F924 HydrophobicContact CG-CD2 4.24Å; K915-F924 HydrophobicContact CG-CE2 4.22Å
916	E	92.3	Very high	90.6	Very high	110 Å²	110	69.8 Å²	69.8	51%	0.514	34%	0.337	S	S	.	.	H	α-helix	trans	-67.1	-34.1	174.8	-74	170.8	-171.4	0	0	112.2	Q912 W913	Q912-E916 HydrophobicContact CG-CG 4.47Å; Q912-E916 WeakPolarHBondContact CG-OE1 3.39Å; Q912-E916 PolarHBondContact NE2-OE1 2.9Å; Q912-E916 WeakPolarHBondContact O-CG 3.36Å; Q912-E916 PolarHBondContact O-N 3.05Å; W913-E916 PolarHBondContact O-N 3.05Å
917	R	91.8	Very high	91.2	Very high	127 Å²	127	66 Å²	66	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-79	-33.3	174.9	-59.8	-63.2	166.4	164.9	-14.1	112.6	W913 L914 K915 E959	W913-R917 HydrophobicContact CD2-CG 4.25Å; W913-R917 HydrophobicContact CE3-CG 4.42Å; W913-R917 HydrophobicContact CH2-CG 4.18Å; W913-R917 HydrophobicContact CZ2-CG 3.98Å; W913-R917 HydrophobicContact CZ3-CG 4.39Å; W913-R917 WeakPolarHBondContact O-CG 3.47Å; W913-R917 PolarHBondContact O-N 2.86Å; W913-R917 VanDerWaalsContact O-N 3.12Å; L914-R917 PolarHBondContact O-N 2.75Å; K915-R917 VanDerWaalsContact C-N 3.34Å; R917-E959 HydrophobicContact CB-CB 4.27Å; R917-E959 HydrophobicContact CB-CG 4.44Å; R917-E959 HydrophobicContact CG-CB 4.42Å; R917-E959 HydrophobicContact CG-CG 4.07Å; R917-E959 IonicContact CZ-OE1 3.6Å; R917-E959 IonicContact NE-OE1 3.84Å; R917-E959 IonicContact NH1-OE1 3.52Å; R917-E959 PolarHBondContact NH1-OE1 2.89Å
918	C	90.8	Very high	91.7	Very high	11 Å²	11	64 Å²	64	7%	0.074	31%	0.31	C	S	.	.			trans	-108.2	70.5	179.1	-67	0	0	0	0	111.4	L914 K915 I920 K923 F924 E959	L914-C918 WeakPolarHBondContact O-CB 3.36Å; L914-C918 PolarHBondContact O-N 2.72Å; K915-C918 CarbonylContact O-C 3.57Å; K915-C918 VanDerWaalsContact O-C 3.24Å; K915-C918 PolarHBondContact O-N 2.77Å; C918-I920 PolarHBondContact O-N 3.22Å; C918-K923 HydrophobicContact CB-CB 4.28Å; C918-F924 HydrophobicContact CB-CB 3.89Å; C918-F924 HydrophobicContact CB-CD2 4.26Å; C918-E959 PolarHBondContact SG-O 2.76Å
919	V	88.1	Confident	92	Very high	130 Å²	130	65 Å²	65	79%	0.788	31%	0.314	S	S	*	.			trans	-61.4	-27.9	-176.7	-172.6	0	0	0	0	112.9
920	I	91.6	Very high	92.2	Very high	93 Å²	93	68.3 Å²	68.3	48%	0.477	33%	0.327	S	S	.	.	S	Bend	trans	-84.9	124.3	178.2	-57.5	174	0	0	0	108.7	C918 E922 K923 F924	C918-I920 PolarHBondContact O-N 3.22Å; I920-E922 VanDerWaalsContact C-N 3.29Å; I920-E922 HydrophobicContact CG2-CB 4.31Å; I920-E922 PolarHBondContact O-N 2.98Å; I920-K923 HydrophobicContact CB-CB 4.21Å; I920-K923 HydrophobicContact CB-CD 4.33Å; I920-K923 HydrophobicContact CB-CG 4.11Å; I920-K923 HydrophobicContact CD1-CD 4.13Å; I920-K923 HydrophobicContact CG2-CG 4.45Å; I920-K923 WeakPolarHBondContact O-CA 3.44Å; I920-K923 WeakPolarHBondContact O-CB 3.32Å; I920-K923 PolarHBondContact O-N 2.92Å; I920-F924 PolarHBondContact O-N 3.5Å
921	E	90.1	Very high	92.5	Very high	101 Å²	101	68.1 Å²	68.1	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-54.2	-42.3	-176.7	-172.2	62.2	-146.5	0	0	112.7	K923 F924 Q925	E921-K923 VanDerWaalsContact C-N 3.34Å; E921-K923 PolarHBondContact O-N 2.91Å; E921-F924 WeakPolarHBondContact O-CB 3.34Å; E921-F924 PolarHBondContact O-N 3.33Å; E921-Q925 WeakPolarHBondContact O-CG 3.49Å; E921-Q925 PolarHBondContact O-N 3.41Å; E921-Q925 PolarHBondContact OE1-NE2 3.48Å
922	E	90.9	Very high	92.7	Very high	164 Å²	164	66.7 Å²	66.7	77%	0.766	32%	0.318	S	S	*	.	H	α-helix	trans	-60.4	-41	175.6	-66	178.9	175.6	0	0	112.6	I920 A926	I920-E922 VanDerWaalsContact C-N 3.29Å; I920-E922 HydrophobicContact CG2-CB 4.31Å; I920-E922 PolarHBondContact O-N 2.98Å; E922-A926 WeakPolarHBondContact O-CB 3.43Å; E922-A926 PolarHBondContact O-N 2.82Å
923	K	89.4	Confident	93	Very high	132 Å²	132	64.9 Å²	64.9	57%	0.574	31%	0.308	S	S	*	.	H	α-helix	trans	-68.5	-37.7	175.8	-69.6	-169.7	175.7	-174.4	0	111.3	C918 I920 E921 A926 A927	C918-K923 HydrophobicContact CB-CB 4.28Å; I920-K923 HydrophobicContact CB-CB 4.21Å; I920-K923 HydrophobicContact CB-CD 4.33Å; I920-K923 HydrophobicContact CB-CG 4.11Å; I920-K923 HydrophobicContact CD1-CD 4.13Å; I920-K923 HydrophobicContact CG2-CG 4.45Å; I920-K923 WeakPolarHBondContact O-CA 3.44Å; I920-K923 WeakPolarHBondContact O-CB 3.32Å; I920-K923 PolarHBondContact O-N 2.92Å; E921-K923 VanDerWaalsContact C-N 3.34Å; E921-K923 PolarHBondContact O-N 2.91Å; K923-A926 PolarHBondContact O-N 2.83Å; K923-A927 WeakPolarHBondContact O-CB 3.48Å; K923-A927 PolarHBondContact O-N 2.71Å
924	F	93.3	Very high	93.2	Very high	14 Å²	14	64.1 Å²	64.1	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-47.2	177.1	178.5	-111.5	0	0	0	111.3	N911 L914 K915 C918 I920 E921 A926 A927 V928	N911-F924 WeakPolarHBondContact OD1-CZ 3.41Å; L914-F924 HydrophobicContact CB-CE2 4.32Å; L914-F924 HydrophobicContact CD2-CE2 4.42Å; L914-F924 HydrophobicContact CG-CE2 4.36Å; K915-F924 HydrophobicContact CB-CD2 3.97Å; K915-F924 HydrophobicContact CB-CE2 3.69Å; K915-F924 HydrophobicContact CB-CZ 4.26Å; K915-F924 HydrophobicContact CG-CD2 4.24Å; K915-F924 HydrophobicContact CG-CE2 4.22Å; C918-F924 HydrophobicContact CB-CB 3.89Å; C918-F924 HydrophobicContact CB-CD2 4.26Å; I920-F924 PolarHBondContact O-N 3.5Å; E921-F924 WeakPolarHBondContact O-CB 3.34Å; E921-F924 PolarHBondContact O-N 3.33Å; F924-A926 VanDerWaalsContact C-N 3.34Å; F924-A926 PolarHBondContact O-N 3.15Å; F924-A927 WeakPolarHBondContact O-CB 3.49Å; F924-A927 PolarHBondContact O-N 3.34Å; F924-A927 VanDerWaalsContact O-N 3.11Å; F924-V928 HydrophobicContact CD1-CG2 4.42Å; F924-V928 HydrophobicContact CD2-CG2 4.36Å; F924-V928 HydrophobicContact CE1-CG2 4Å; F924-V928 HydrophobicContact CE2-CG2 3.93Å; F924-V928 HydrophobicContact CZ-CG2 3.73Å; F924-V928 WeakPolarHBondContact O-CG2 3.35Å; F924-V928 PolarHBondContact O-N 3.49Å
925	Q	93.4	Very high	93.4	Very high	76 Å²	76	64.1 Å²	64.1	36%	0.355	31%	0.305	S	S	.	.	H	α-helix	trans	-61.5	-41.3	175.8	-66.7	-58	-35.7	0	0	111.9	E921 A927 V928 E929	E921-Q925 WeakPolarHBondContact O-CG 3.49Å; E921-Q925 PolarHBondContact O-N 3.41Å; E921-Q925 PolarHBondContact OE1-NE2 3.48Å; Q925-A927 VanDerWaalsContact C-N 3.31Å; Q925-A927 PolarHBondContact O-N 3.35Å; Q925-V928 PolarHBondContact O-N 3.31Å; Q925-E929 WeakPolarHBondContact O-CB 3.47Å; Q925-E929 PolarHBondContact O-N 3.3Å
926	A	91.7	Very high	93.6	Very high	44 Å²	44	58.8 Å²	58.8	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-36.1	173.8	0	0	0	0	0	112.7	E922 K923 F924 R930	E922-A926 WeakPolarHBondContact O-CB 3.43Å; E922-A926 PolarHBondContact O-N 2.82Å; K923-A926 PolarHBondContact O-N 2.83Å; F924-A926 VanDerWaalsContact C-N 3.34Å; F924-A926 PolarHBondContact O-N 3.15Å; A926-R930 WeakPolarHBondContact O-CB 3.35Å; A926-R930 PolarHBondContact O-N 3.06Å
927	A	94.1	Very high	93.8	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-70.2	-40.5	175.9	0	0	0	0	0	112.2	L914 K923 F924 Q925 R930 F931 T960	L914-A927 HydrophobicContact CD1-CB 4.16Å; L914-A927 HydrophobicContact CD2-CB 4.12Å; L914-A927 HydrophobicContact CG-CB 4.19Å; K923-A927 WeakPolarHBondContact O-CB 3.48Å; K923-A927 PolarHBondContact O-N 2.71Å; F924-A927 WeakPolarHBondContact O-CB 3.49Å; F924-A927 PolarHBondContact O-N 3.34Å; F924-A927 VanDerWaalsContact O-N 3.11Å; Q925-A927 VanDerWaalsContact C-N 3.31Å; Q925-A927 PolarHBondContact O-N 3.35Å; A927-R930 PolarHBondContact O-N 3.44Å; A927-F931 WeakPolarHBondContact O-CB 3.39Å; A927-F931 PolarHBondContact O-N 3.12Å; A927-T960 WeakPolarHBondContact CA-O 3.4Å; A927-T960 WeakPolarHBondContact CB-O 3.39Å
928	V	95.6	Very high	94.1	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.024	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-41.9	173.2	171.8	0	0	0	0	110.7	L914 F924 Q925 F931 V932 V997	L914-V928 HydrophobicContact CD2-CG2 4.27Å; F924-V928 HydrophobicContact CD1-CG2 4.42Å; F924-V928 HydrophobicContact CD2-CG2 4.36Å; F924-V928 HydrophobicContact CE1-CG2 4Å; F924-V928 HydrophobicContact CE2-CG2 3.93Å; F924-V928 HydrophobicContact CZ-CG2 3.73Å; F924-V928 WeakPolarHBondContact O-CG2 3.35Å; F924-V928 PolarHBondContact O-N 3.49Å; Q925-V928 PolarHBondContact O-N 3.31Å; V928-F931 WeakPolarHBondContact O-CB 3.27Å; V928-F931 PolarHBondContact O-N 3.2Å; V928-V932 WeakPolarHBondContact O-CG2 3.42Å; V928-V932 PolarHBondContact O-N 2.98Å; V928-V997 HydrophobicContact CG2-CG1 4.33Å
929	E	94.2	Very high	94.3	Very high	103 Å²	103	47.2 Å²	47.2	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-61.3	-48.6	174.4	-175.4	170.9	-142.2	0	0	111	Q925 F931 V932 Y933	Q925-E929 WeakPolarHBondContact O-CB 3.47Å; Q925-E929 PolarHBondContact O-N 3.3Å; E929-F931 VanDerWaalsContact C-N 3.25Å; E929-F931 PolarHBondContact O-N 3.35Å; E929-V932 WeakPolarHBondContact O-CB 3.5Å; E929-V932 PolarHBondContact O-N 3.24Å; E929-Y933 HydrophobicContact CG-CD2 3.8Å; E929-Y933 HydrophobicContact CG-CE2 3.62Å; E929-Y933 VanDerWaalsContact O-CD2 3.27Å; E929-Y933 WeakPolarHBondContact O-CD2 2.98Å; E929-Y933 PolarHBondContact O-N 3.01Å
930	R	94.8	Very high	94.7	Very high	74 Å²	74	41 Å²	41	28%	0.279	20%	0.195	S	C	.	.	H	α-helix	trans	-59	-37.5	175.5	-171.5	171	-70.6	108.6	-4.6	112.2	C866 A926 A927 Y933 S934 T960 N962	C866-R930 HydrophobicContact CB-CG 4.33Å; A926-R930 WeakPolarHBondContact O-CB 3.35Å; A926-R930 PolarHBondContact O-N 3.06Å; A927-R930 PolarHBondContact O-N 3.44Å; R930-Y933 PolarHBondContact O-N 2.8Å; R930-S934 WeakPolarHBondContact O-CB 3.47Å; R930-S934 PolarHBondContact O-N 2.92Å; R930-S934 PolarHBondContact O-OG 3.47Å; R930-T960 PolarHBondContact NH1-O 3.27Å; R930-T960 VanDerWaalsContact NH1-O 3.11Å; R930-N962 HydrophobicContact CG-CB 4.1Å
931	F	97.1	Very high	94.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.4	-44.5	173.4	179.2	-92.4	0	0	0	111.7	L910 A927 V928 E929 Y933 S934 C935 I957 G961 L963 F994 V997 M998	L910-F931 HydrophobicContact CD2-CE2 4.07Å; L910-F931 HydrophobicContact CD2-CZ 4.23Å; A927-F931 WeakPolarHBondContact O-CB 3.39Å; A927-F931 PolarHBondContact O-N 3.12Å; V928-F931 WeakPolarHBondContact O-CB 3.27Å; V928-F931 PolarHBondContact O-N 3.2Å; E929-F931 VanDerWaalsContact C-N 3.25Å; E929-F931 PolarHBondContact O-N 3.35Å; F931-Y933 PolarHBondContact O-N 2.97Å; F931-S934 PolarHBondContact O-OG 3.03Å; F931-C935 HydrophobicContact CE1-CB 4.41Å; F931-C935 WeakPolarHBondContact O-CB 3.01Å; F931-C935 PolarHBondContact O-N 3.1Å; F931-I957 HydrophobicContact CD2-CD1 3.69Å; F931-I957 HydrophobicContact CE2-CD1 4.04Å; F931-G961 WeakPolarHBondContact CA-O 3.35Å; F931-G961 WeakPolarHBondContact CB-O 3.45Å; F931-G961 PolarHBondContact N-O 3.46Å; F931-G961 VanDerWaalsContact N-O 3.16Å; F931-L963 HydrophobicContact CD2-CB 4.25Å; F931-L963 HydrophobicContact CE2-CB 4.35Å; F931-L963 HydrophobicContact CE2-CD1 4.03Å; F931-L963 HydrophobicContact CE2-CD2 4.44Å; F931-F994 HydrophobicContact CE1-CB 4.26Å; F931-F994 HydrophobicContact CZ-CB 3.85Å; F931-F994 AromaticContact CZ-CD1 3.98Å; F931-F994 HydrophobicContact CZ-CD1 3.98Å; F931-F994 HydrophobicContact CZ-CD2 4.46Å; F931-F994 AromaticContact CZ-CG 3.85Å; F931-F994 HydrophobicContact CZ-CG 3.85Å; F931-V997 HydrophobicContact CB-CG1 4.31Å; F931-V997 HydrophobicContact CD1-CB 3.97Å; F931-V997 HydrophobicContact CD1-CG1 3.46Å; F931-V997 VanDerWaalsContact CD1-CG1 3.46Å; F931-V997 HydrophobicContact CD2-CG1 4.43Å; F931-V997 HydrophobicContact CE1-CB 3.76Å; F931-V997 HydrophobicContact CE1-CG1 3.8Å; F931-V997 HydrophobicContact CE1-CG2 4.4Å; F931-V997 HydrophobicContact CG-CG1 3.81Å; F931-V997 HydrophobicContact CZ-CB 4.24Å; F931-V997 HydrophobicContact CZ-CG1 4.41Å; F931-V997 HydrophobicContact CZ-CG2 4.39Å; F931-M998 HydrophobicContact CD1-CE 4.15Å; F931-M998 HydrophobicContact CD1-CG 4.42Å; F931-M998 HydrophobicContact CE1-CE 3.69Å; F931-M998 HydrophobicContact CE1-CG 4.27Å
932	V	97.1	Very high	95	Very high	2 Å²	2	32 Å²	32	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-58.8	-47.5	176.8	167.2	0	0	0	0	111.5	V928 E929 A936 M998 H1008 K1011 F1012	V928-V932 WeakPolarHBondContact O-CG2 3.42Å; V928-V932 PolarHBondContact O-N 2.98Å; E929-V932 WeakPolarHBondContact O-CB 3.5Å; E929-V932 PolarHBondContact O-N 3.24Å; V932-A936 VanDerWaalsContact O-CB 3.29Å; V932-A936 WeakPolarHBondContact O-CB 3.39Å; V932-A936 PolarHBondContact O-N 3.31Å; V932-M998 HydrophobicContact CG2-CG 3.98Å; V932-M998 HydrophobicContact CG2-SD 4.47Å; V932-H1008 HydrophobicContact CG2-CB 4.15Å; V932-K1011 HydrophobicContact CG1-CG 4.36Å; V932-F1012 HydrophobicContact CG1-CB 3.99Å
933	Y	97	Very high	95.1	Very high	48 Å²	48	24.8 Å²	24.8	19%	0.188	12%	0.117	C	C	.	.	H	α-helix	trans	-67.5	-50.5	-179.1	-80.5	-81.4	0	0	0	112.6	D864 L865 E929 R930 F931 A936 G937 K1011 V1015	D864-Y933 WeakPolarHBondContact O-CD1 3.34Å; L865-Y933 HydrophobicContact CD2-CD1 4.24Å; L865-Y933 CarbonylContact O-C 3.57Å; L865-Y933 VanDerWaalsContact O-C 3.29Å; E929-Y933 HydrophobicContact CG-CD2 3.8Å; E929-Y933 HydrophobicContact CG-CE2 3.62Å; E929-Y933 VanDerWaalsContact O-CD2 3.27Å; E929-Y933 WeakPolarHBondContact O-CD2 2.98Å; E929-Y933 PolarHBondContact O-N 3.01Å; R930-Y933 PolarHBondContact O-N 2.8Å; F931-Y933 PolarHBondContact O-N 2.97Å; Y933-A936 PolarHBondContact O-N 3Å; Y933-G937 PolarHBondContact O-N 3.33Å; Y933-K1011 WeakPolarHBondContact OH-CE 3.46Å; Y933-K1011 PolarHBondContact OH-NZ 3.41Å; Y933-V1015 HydrophobicContact CD1-CG1 3.97Å; Y933-V1015 HydrophobicContact CD1-CG2 4.21Å; Y933-V1015 HydrophobicContact CE1-CG1 4.25Å; Y933-V1015 HydrophobicContact CE1-CG2 3.79Å
934	S	97.6	Very high	95.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.7	-41.7	178.8	56.7	0	0	0	0	112.2	L865 R930 F931 A936 G937 Y938 N962 L963	L865-S934 VanDerWaalsContact O-CA 3.23Å; L865-S934 WeakPolarHBondContact O-CA 3.42Å; L865-S934 PolarHBondContact O-N 2.87Å; R930-S934 WeakPolarHBondContact O-CB 3.47Å; R930-S934 PolarHBondContact O-N 2.92Å; R930-S934 PolarHBondContact O-OG 3.47Å; F931-S934 PolarHBondContact O-OG 3.03Å; S934-A936 PolarHBondContact O-N 2.87Å; S934-G937 PolarHBondContact O-N 3.44Å; S934-Y938 WeakPolarHBondContact O-CD2 3.47Å; S934-Y938 PolarHBondContact O-N 2.94Å; S934-N962 WeakPolarHBondContact CB-OD1 3.31Å; S934-L963 WeakPolarHBondContact CB-O 3.34Å; S934-L963 PolarHBondContact OG-N 2.83Å
935	C	97.3	Very high	94.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.007	9%	0.087	C	C	.	.	H	α-helix	trans	-61.9	-43.1	173.4	-173.6	0	0	0	0	111.8	F931 C939 L963 M998 F1012	F931-C935 HydrophobicContact CE1-CB 4.41Å; F931-C935 WeakPolarHBondContact O-CB 3.01Å; F931-C935 PolarHBondContact O-N 3.1Å; C935-C939 VanDerWaalsContact O-CB 3.25Å; C935-C939 WeakPolarHBondContact O-CB 3.19Å; C935-C939 PolarHBondContact O-N 2.89Å; C935-C939 PolarHBondContact O-SG 2.91Å; C935-L963 HydrophobicContact CB-CD2 3.89Å; C935-M998 HydrophobicContact CB-CE 3.96Å; C935-F1012 HydrophobicContact CB-CE2 4.37Å
936	A	97.6	Very high	94.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.2	-45.8	176.6	0	0	0	0	0	111.7	V932 Y933 S934 C939 V940 F1012 V1015	V932-A936 VanDerWaalsContact O-CB 3.29Å; V932-A936 WeakPolarHBondContact O-CB 3.39Å; V932-A936 PolarHBondContact O-N 3.31Å; Y933-A936 PolarHBondContact O-N 3Å; S934-A936 PolarHBondContact O-N 2.87Å; A936-C939 PolarHBondContact O-N 3.37Å; A936-V940 WeakPolarHBondContact O-CG2 3.21Å; A936-V940 PolarHBondContact O-N 3.48Å; A936-F1012 HydrophobicContact CB-CD2 3.87Å; A936-F1012 HydrophobicContact CB-CE2 3.98Å; A936-V1015 HydrophobicContact CB-CB 4.14Å; A936-V1015 HydrophobicContact CB-CG1 3.6Å
937	G	97.1	Very high	94.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.1	-50.3	177	0	0	0	0	0	112.9	Y933 S934 V940 A941	Y933-G937 PolarHBondContact O-N 3.33Å; S934-G937 PolarHBondContact O-N 3.44Å; G937-V940 PolarHBondContact O-N 2.86Å; G937-A941 VanDerWaalsContact O-CB 3.27Å; G937-A941 WeakPolarHBondContact O-CB 3.28Å; G937-A941 PolarHBondContact O-N 3.45Å
938	Y	96.7	Very high	93.4	Very high	1 Å²	1	12.4 Å²	12.4	0%	0.004	6%	0.055	C	C	.	.	H	α-helix	trans	-68.9	-33.5	178	-81.8	-78	0	0	0	113.1	L851 L867 L868 S934 T942 L963 F964 H965	L851-Y938 HydrophobicContact CD1-CE1 4.06Å; L867-Y938 HydrophobicContact CB-CE2 4.24Å; L867-Y938 HydrophobicContact CD2-CD2 3.6Å; L867-Y938 HydrophobicContact CD2-CE2 3.6Å; L867-Y938 HydrophobicContact CD2-CG 4.08Å; L867-Y938 HydrophobicContact CG-CE2 4.49Å; L868-Y938 PolarHBondContact N-OH 2.86Å; L868-Y938 VanDerWaalsContact N-OH 3.1Å; L868-Y938 PolarHBondContact O-OH 2.92Å; S934-Y938 WeakPolarHBondContact O-CD2 3.47Å; S934-Y938 PolarHBondContact O-N 2.94Å; Y938-T942 VanDerWaalsContact O-CB 3.28Å; Y938-T942 WeakPolarHBondContact O-CB 3.03Å; Y938-T942 VanDerWaalsContact O-CG2 3.24Å; Y938-T942 WeakPolarHBondContact O-CG2 3.27Å; Y938-T942 PolarHBondContact O-N 3.48Å; Y938-T942 PolarHBondContact O-OG1 3.36Å; Y938-L963 WeakPolarHBondContact CD2-O 3.14Å; Y938-L963 WeakPolarHBondContact CE2-O 3.46Å; Y938-F964 VanDerWaalsContact CE2-CA 3.42Å; Y938-F964 HydrophobicContact CE2-CB 3.62Å; Y938-F964 WeakPolarHBondContact OH-CB 3.47Å; Y938-H965 HydrophobicContact CD1-CB 3.85Å; Y938-H965 AromaticContact CD1-CD2 3.61Å; Y938-H965 AromaticContact CD1-CG 3.76Å; Y938-H965 HydrophobicContact CE1-CB 3.93Å; Y938-H965 AromaticContact CG-CD2 3.68Å
939	C	95.6	Very high	92.4	Very high	4 Å²	4	14.6 Å²	14.6	3%	0.027	7%	0.066	C	C	.	.	H	α-helix	trans	-60.5	-49.1	172.2	-76.6	0	0	0	0	111.4	C935 A936 T942 F943 F988	C935-C939 VanDerWaalsContact O-CB 3.25Å; C935-C939 WeakPolarHBondContact O-CB 3.19Å; C935-C939 PolarHBondContact O-N 2.89Å; C935-C939 PolarHBondContact O-SG 2.91Å; A936-C939 PolarHBondContact O-N 3.37Å; C939-T942 PolarHBondContact O-OG1 3.35Å; C939-F943 VanDerWaalsContact O-CB 3.23Å; C939-F943 WeakPolarHBondContact O-CB 3.03Å; C939-F943 PolarHBondContact O-N 3.32Å; C939-F943 VanDerWaalsContact O-N 3.09Å; C939-F988 HydrophobicContact CB-CD2 3.73Å; C939-F988 HydrophobicContact CB-CE2 3.98Å; C939-F988 HydrophobicContact CB-CG 4.24Å; C939-F988 VanDerWaalsContact SG-CD2 3.56Å
940	V	97.1	Very high	92	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.2	-47.6	178	173.7	0	0	0	0	111.1	W858 A936 G937 F943 V944 C1016 A1019 L1023 F1071	W858-V940 HydrophobicContact CZ2-CG1 4.14Å; A936-V940 WeakPolarHBondContact O-CG2 3.21Å; A936-V940 PolarHBondContact O-N 3.48Å; G937-V940 PolarHBondContact O-N 2.86Å; V940-F943 PolarHBondContact O-N 2.9Å; V940-V944 HydrophobicContact CG1-CG2 4.45Å; V940-V944 WeakPolarHBondContact O-CG2 3.32Å; V940-V944 PolarHBondContact O-N 3.03Å; V940-C1016 HydrophobicContact CG2-CB 4.29Å; V940-C1016 WeakPolarHBondContact CG2-O 3.35Å; V940-A1019 HydrophobicContact CB-CB 4.44Å; V940-A1019 HydrophobicContact CG1-CB 4.29Å; V940-A1019 HydrophobicContact CG2-CB 4.05Å; V940-L1023 HydrophobicContact CG1-CD1 3.85Å; V940-F1071 HydrophobicContact CB-CZ 4.36Å; V940-F1071 HydrophobicContact CG2-CE1 4.05Å; V940-F1071 HydrophobicContact CG2-CE2 4.34Å; V940-F1071 HydrophobicContact CG2-CZ 3.57Å
941	A	94.8	Very high	91.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-62.8	-49.5	-179	0	0	0	0	0	111.9	L851 M854 W858 G937 F943 V944 L945	L851-A941 HydrophobicContact CD2-CB 3.58Å; M854-A941 HydrophobicContact SD-CB 3.73Å; W858-A941 HydrophobicContact CH2-CB 4.42Å; G937-A941 VanDerWaalsContact O-CB 3.27Å; G937-A941 WeakPolarHBondContact O-CB 3.28Å; G937-A941 PolarHBondContact O-N 3.45Å; A941-F943 VanDerWaalsContact C-N 3.29Å; A941-F943 PolarHBondContact O-N 2.78Å; A941-V944 PolarHBondContact O-N 2.81Å; A941-L945 WeakPolarHBondContact O-CB 3.3Å; A941-L945 WeakPolarHBondContact O-CG 3.34Å; A941-L945 PolarHBondContact O-N 3.09Å
942	T	92.4	Very high	90.7	Very high	4 Å²	4	8.5 Å²	8.5	3%	0.025	4%	0.04	C	C	.	.	H	α-helix	trans	-66.2	-31.4	-179.6	56.3	0	0	0	0	113	Y938 C939 G946 I947	Y938-T942 VanDerWaalsContact O-CB 3.28Å; Y938-T942 WeakPolarHBondContact O-CB 3.03Å; Y938-T942 VanDerWaalsContact O-CG2 3.24Å; Y938-T942 WeakPolarHBondContact O-CG2 3.27Å; Y938-T942 PolarHBondContact O-N 3.48Å; Y938-T942 PolarHBondContact O-OG1 3.36Å; C939-T942 PolarHBondContact O-OG1 3.35Å; T942-G946 WeakPolarHBondContact O-CA 3.28Å; T942-G946 PolarHBondContact O-N 2.83Å; T942-I947 HydrophobicContact CG2-CB 4.08Å; T942-I947 HydrophobicContact CG2-CD1 4.05Å; T942-I947 HydrophobicContact CG2-CG2 4.49Å; T942-I947 PolarHBondContact O-N 2.58Å
943	F	92.8	Very high	90.1	Very high	12 Å²	12	10.8 Å²	10.8	5%	0.053	5%	0.052	C	C	.	.	H	α-helix	trans	-65.5	-54.3	171.3	176.8	-107.5	0	0	0	111.9	C939 V940 A941 L945 G946 P987 F988 Y1020 Y1053 A1057 F1071 Q1074	C939-F943 VanDerWaalsContact O-CB 3.23Å; C939-F943 WeakPolarHBondContact O-CB 3.03Å; C939-F943 PolarHBondContact O-N 3.32Å; C939-F943 VanDerWaalsContact O-N 3.09Å; V940-F943 PolarHBondContact O-N 2.9Å; A941-F943 VanDerWaalsContact C-N 3.29Å; A941-F943 PolarHBondContact O-N 2.78Å; F943-L945 PolarHBondContact O-N 2.82Å; F943-G946 PolarHBondContact O-N 2.82Å; F943-G946 VanDerWaalsContact O-N 3.16Å; F943-P987 HydrophobicContact CD2-CB 3.83Å; F943-P987 HydrophobicContact CE2-CB 3.93Å; F943-F988 HydrophobicContact CB-CD1 3.84Å; F943-F988 HydrophobicContact CD2-CD1 4.05Å; F943-F988 HydrophobicContact CD2-CE1 4.49Å; F943-F988 HydrophobicContact CG-CD1 4.19Å; F943-Y1020 HydrophobicContact CD1-CE2 4.44Å; F943-Y1020 HydrophobicContact CE1-CE2 4.09Å; F943-Y1053 WeakPolarHBondContact O-CE1 3.49Å; F943-Y1053 PolarHBondContact O-OH 2.82Å; F943-A1057 HydrophobicContact CE1-CB 4.26Å; F943-A1057 VanDerWaalsContact CE1-O 3.28Å; F943-A1057 WeakPolarHBondContact CE1-O 3.33Å; F943-F1071 HydrophobicContact CB-CE2 4.33Å; F943-F1071 AromaticContact CD1-CD2 3.9Å; F943-F1071 HydrophobicContact CD1-CD2 3.9Å; F943-F1071 AromaticContact CD1-CE2 3.47Å; F943-F1071 HydrophobicContact CD1-CE2 3.47Å; F943-F1071 VanDerWaalsContact CD1-CE2 3.47Å; F943-F1071 AromaticContact CE1-CD2 3.85Å; F943-F1071 HydrophobicContact CE1-CD2 3.85Å; F943-F1071 AromaticContact CE1-CE2 3.92Å; F943-F1071 HydrophobicContact CE1-CE2 3.92Å; F943-F1071 HydrophobicContact CG-CE2 4Å; F943-Q1074 HydrophobicContact CE2-CG 3.93Å; F943-Q1074 HydrophobicContact CZ-CG 3.99Å
944	V	91.7	Very high	89.7	Confident	1 Å²	1	9.4 Å²	9.4	1%	0.006	5%	0.048	C	C	.	.	H	α-helix	trans	-61.9	-35	-178.3	172.1	0	0	0	0	111.2	M854 V940 A941 Y1020 L1023 L1030 L1058	M854-V944 HydrophobicContact CE-CB 4.39Å; M854-V944 HydrophobicContact CE-CG1 4.09Å; V940-V944 HydrophobicContact CG1-CG2 4.45Å; V940-V944 WeakPolarHBondContact O-CG2 3.32Å; V940-V944 PolarHBondContact O-N 3.03Å; A941-V944 PolarHBondContact O-N 2.81Å; V944-Y1020 HydrophobicContact CG2-CD2 4.24Å; V944-Y1020 HydrophobicContact CG2-CE2 4.41Å; V944-L1023 HydrophobicContact CB-CD1 4.5Å; V944-L1023 HydrophobicContact CG2-CD1 4.1Å; V944-L1030 HydrophobicContact CG1-CD1 4.43Å; V944-L1058 HydrophobicContact CG1-CD1 4.39Å; V944-L1058 HydrophobicContact CG1-CD2 3.97Å; V944-L1058 HydrophobicContact CG1-CG 4.13Å; V944-L1058 HydrophobicContact CG2-CD2 3.84Å
945	L	88.1	Confident	89.5	Confident	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.9	-179	-60.1	-172.7	0	0	0	114.2	I847 I850 L851 M854 A941 F943 I947 L972 F1034	I847-L945 HydrophobicContact CD1-CD1 4.44Å; I847-L945 HydrophobicContact CG2-CD1 4.47Å; I850-L945 HydrophobicContact CG2-CD1 4.05Å; I850-L945 HydrophobicContact CG2-CD2 4.04Å; L851-L945 HydrophobicContact CD2-CD1 4.43Å; M854-L945 HydrophobicContact CE-CD1 4.03Å; M854-L945 HydrophobicContact CE-CD2 3.61Å; M854-L945 HydrophobicContact CE-CG 3.73Å; A941-L945 WeakPolarHBondContact O-CB 3.3Å; A941-L945 WeakPolarHBondContact O-CG 3.34Å; A941-L945 PolarHBondContact O-N 3.09Å; F943-L945 PolarHBondContact O-N 2.82Å; L945-I947 HydrophobicContact CB-CD1 3.83Å; L945-I947 HydrophobicContact CB-CG1 3.67Å; L945-I947 HydrophobicContact CD1-CD1 3.87Å; L945-I947 HydrophobicContact CG-CD1 4.46Å; L945-I947 PolarHBondContact O-N 2.88Å; L945-L972 WeakPolarHBondContact O-CA 3.33Å; L945-L972 PolarHBondContact O-N 3.39Å; L945-F1034 HydrophobicContact CD2-CE1 4.24Å; L945-F1034 HydrophobicContact CD2-CE2 3.34Å; L945-F1034 HydrophobicContact CD2-CZ 3.19Å; L945-F1034 HydrophobicContact CG-CZ 4.38Å
946	G	86.9	Confident	89.5	Confident	1 Å²	1	10.9 Å²	10.9	1%	0.01	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	40.3	-177.5	0	0	0	0	0	113.2	T942 F943 G948 I971 L972 G973 Y1053	T942-G946 WeakPolarHBondContact O-CA 3.28Å; T942-G946 PolarHBondContact O-N 2.83Å; F943-G946 PolarHBondContact O-N 2.82Å; F943-G946 VanDerWaalsContact O-N 3.16Å; G946-G948 PolarHBondContact O-N 3.03Å; G946-I971 CarbonylContact O-C 3.59Å; G946-I971 WeakPolarHBondContact O-CA 3.46Å; G946-L972 PolarHBondContact O-N 3.23Å; G946-L972 VanDerWaalsContact O-N 3.14Å; G946-G973 PolarHBondContact O-N 2.9Å; G946-G973 VanDerWaalsContact O-N 3.14Å; G946-Y1053 VanDerWaalsContact CA-CZ 3.4Å; G946-Y1053 WeakPolarHBondContact CA-OH 3.46Å; G946-Y1053 VanDerWaalsContact N-CE1 3.29Å
947	I	85	Confident	89.4	Confident	6 Å²	6	10.9 Å²	10.9	3%	0.031	6%	0.055	C	C	.	.			trans	-75.5	113.3	-176.3	-63.8	170.1	0	0	0	108.7	I847 T942 L945 R950 F968 H970 I971	I847-I947 HydrophobicContact CG2-CD1 3.85Å; T942-I947 HydrophobicContact CG2-CB 4.08Å; T942-I947 HydrophobicContact CG2-CD1 4.05Å; T942-I947 HydrophobicContact CG2-CG2 4.49Å; T942-I947 PolarHBondContact O-N 2.58Å; L945-I947 HydrophobicContact CB-CD1 3.83Å; L945-I947 HydrophobicContact CB-CG1 3.67Å; L945-I947 HydrophobicContact CD1-CD1 3.87Å; L945-I947 HydrophobicContact CG-CD1 4.46Å; L945-I947 PolarHBondContact O-N 2.88Å; I947-R950 WeakPolarHBondContact O-CG 3.33Å; I947-F968 HydrophobicContact CD1-CD1 4.01Å; I947-F968 HydrophobicContact CD1-CE1 4.28Å; I947-F968 HydrophobicContact CG2-CD1 4.07Å; I947-H970 CarbonylContact C-O 3.46Å; I947-H970 VanDerWaalsContact CA-O 3.32Å; I947-H970 WeakPolarHBondContact CA-O 3.37Å; I947-I971 HydrophobicContact CG1-CG2 4.18Å
948	G	75.4	Confident	89.4	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.			trans	-99.3	-174.3	-176.2	0	0	0	0	0	116	G946 R950 H970 E984	G946-G948 PolarHBondContact O-N 3.03Å; G948-R950 PolarHBondContact O-N 3.38Å; G948-R950 PolarHBondContact O-NE 3.07Å; G948-R950 PolarHBondContact O-NH2 2.85Å; G948-H970 PolarHBondContact N-O 3.18Å; G948-E984 VanDerWaalsContact C-OE1 3.24Å; G948-E984 WeakPolarHBondContact CA-OE1 2.9Å
949	D	75	Confident	89.3	Confident	49 Å²	49	14.2 Å²	14.2	26%	0.262	7%	0.071	S	C	.	.			trans	55.1	37.7	-179	-149.5	10	0	0	0	111.8	H951 N954 H970 K976 E984	D949-H951 PolarHBondContact O-CD2 2.92Å; D949-H951 VanDerWaalsContact O-CD2 3.29Å; D949-H951 PolarHBondContact O-N 2.99Å; D949-H951 IonicContact OD1-CD2 3.3Å; D949-N954 PolarHBondContact O-ND2 2.83Å; D949-H970 HydrophobicContact CB-CB 4.46Å; D949-H970 IonicContact OD2-CD2 3.12Å; D949-H970 IonicContact OD2-NE2 3.18Å; D949-K976 IonicContact OD2-NZ 3.53Å; D949-K976 PolarHBondContact OD2-NZ 3.03Å; D949-E984 PolarHBondContact N-OE1 3.37Å
950	R	85.5	Confident	89.1	Confident	23 Å²	23	17.8 Å²	17.8	9%	0.087	9%	0.093	C	C	.	.			trans	-83.2	105.6	179.6	-61	-58.8	86.4	-173.2	3.3	110.3	I947 G948 H965 I966 D967 V989	I947-R950 WeakPolarHBondContact O-CG 3.33Å; G948-R950 PolarHBondContact O-N 3.38Å; G948-R950 PolarHBondContact O-NE 3.07Å; G948-R950 PolarHBondContact O-NH2 2.85Å; R950-H965 WeakPolarHBondContact CD-ND1 3.39Å; R950-I966 PolarHBondContact NH1-O 3.35Å; R950-D967 PolarHBondContact NH1-O 3.39Å; R950-D967 PolarHBondContact NH2-O 3.4Å; R950-V989 HydrophobicContact CB-CG2 3.41Å; R950-V989 VanDerWaalsContact CB-CG2 3.41Å; R950-V989 HydrophobicContact CG-CG2 4.3Å
951	H	82.1	Confident	89	Confident	26 Å²	26	17.8 Å²	17.8	12%	0.12	9%	0.093	C	C	.	.			trans	-127.2	167.4	175.3	53.8	72.3	0	0	0	111.2	D949 D953 N954 I955 H1092	D949-H951 PolarHBondContact O-CD2 2.92Å; D949-H951 VanDerWaalsContact O-CD2 3.29Å; D949-H951 PolarHBondContact O-N 2.99Å; D949-H951 IonicContact OD1-CD2 3.3Å; H951-D953 PolarHBondContact ND1-N 2.84Å; H951-D953 PolarHBondContact O-N 3.44Å; H951-D953 VanDerWaalsContact O-N 3.11Å; H951-N954 PolarHBondContact CE1-ND2 2.63Å; H951-N954 VanDerWaalsContact CE1-ND2 3.26Å; H951-N954 PolarHBondContact CE1-OD1 2.79Å; H951-N954 VanDerWaalsContact CE1-OD1 3.25Å; H951-N954 PolarHBondContact NE2-ND2 3.42Å; H951-N954 VanDerWaalsContact NE2-ND2 3.13Å; H951-N954 PolarHBondContact O-N 2.91Å; H951-I955 PolarHBondContact O-N 3.2Å; H951-H1092 AromaticContact CE1-CE1 3.83Å; H951-H1092 AromaticContact CE1-NE2 4Å; H951-H1092 AromaticContact ND1-CE1 3.84Å
952	N	82.4	Confident	89	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-20.2	-176.6	56.9	-13.1	0	0	0	115.5	I891 A892 Q895 W1089 L1093	I891-N952 HydrophobicContact CB-CB 4.04Å; I891-N952 HydrophobicContact CG2-CB 4.09Å; I891-N952 PolarHBondContact N-O 2.99Å; A892-N952 HydrophobicContact CB-CB 4.03Å; A892-N952 PolarHBondContact N-O 3.31Å; Q895-N952 PolarHBondContact OE1-ND2 3.09Å; N952-W1089 HydrophobicContact CB-CD2 3.66Å; N952-W1089 HydrophobicContact CB-CE3 3.69Å; N952-W1089 HydrophobicContact CB-CG 4.07Å; N952-W1089 HydrophobicContact CB-CH2 4.35Å; N952-W1089 HydrophobicContact CB-CZ2 4.34Å; N952-W1089 HydrophobicContact CB-CZ3 4.05Å; N952-L1093 WeakPolarHBondContact ND2-CD1 3.38Å
953	D	83.6	Confident	89.2	Confident	51 Å²	51	18.6 Å²	18.6	27%	0.273	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-23.7	169.2	-72.3	-70	0	0	0	114.2	T890 A892 H951 H1092	T890-D953 WeakPolarHBondContact CG2-O 3.37Å; A892-D953 HydrophobicContact CB-CB 4.35Å; A892-D953 WeakPolarHBondContact CB-OD1 3.45Å; H951-D953 PolarHBondContact ND1-N 2.84Å; H951-D953 PolarHBondContact O-N 3.44Å; H951-D953 VanDerWaalsContact O-N 3.11Å; D953-H1092 IonicContact OD2-CE1 2.74Å; D953-H1092 PolarHBondContact OD2-CE1 2.79Å; D953-H1092 IonicContact OD2-ND1 3.67Å; D953-H1092 PolarHBondContact OD2-ND1 3.24Å
954	N	89.1	Confident	89.4	Confident	18 Å²	18	18.1 Å²	18.1	10%	0.096	10%	0.095	C	C	.	.	S	Bend	trans	-100.8	8.9	-178.8	-72	-3.3	0	0	0	113.1	D949 H951 I966	D949-N954 PolarHBondContact O-ND2 2.83Å; H951-N954 PolarHBondContact CE1-ND2 2.63Å; H951-N954 VanDerWaalsContact CE1-ND2 3.26Å; H951-N954 PolarHBondContact CE1-OD1 2.79Å; H951-N954 VanDerWaalsContact CE1-OD1 3.25Å; H951-N954 PolarHBondContact NE2-ND2 3.42Å; H951-N954 VanDerWaalsContact NE2-ND2 3.13Å; H951-N954 PolarHBondContact O-N 2.91Å; N954-I966 HydrophobicContact CB-CG1 4.49Å; N954-I966 WeakPolarHBondContact O-CG1 3.32Å; N954-I966 PolarHBondContact O-N 3.09Å
955	I	93.9	Very high	89.6	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.2	174.4	-57.2	174.2	0	0	0	107.3	T890 I891 H951 L963 V989 F994 W1089	T890-I955 WeakPolarHBondContact CA-O 3.48Å; I891-I955 HydrophobicContact CG1-CB 4.1Å; I891-I955 HydrophobicContact CG1-CG2 3.88Å; I891-I955 PolarHBondContact N-O 2.97Å; H951-I955 PolarHBondContact O-N 3.2Å; I955-L963 HydrophobicContact CG2-CD1 3.52Å; I955-L963 HydrophobicContact CG2-CD2 4.49Å; I955-L963 HydrophobicContact CG2-CG 4.06Å; I955-V989 HydrophobicContact CD1-CB 4.16Å; I955-V989 HydrophobicContact CD1-CG1 3.78Å; I955-V989 HydrophobicContact CD1-CG2 4.25Å; I955-F994 HydrophobicContact CD1-CZ 4.4Å; I955-F994 HydrophobicContact CG2-CZ 4.2Å; I955-W1089 HydrophobicContact CD1-CZ2 4.17Å
956	M	96.3	Very high	89.8	Confident	32 Å²	32	20 Å²	20	16%	0.158	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	153.9	-178.1	-65	-170.1	74.9	0	0	110.4	A888 T889 T890 L963 F964 I966	A888-M956 HydrophobicContact CB-CE 3.8Å; T889-M956 WeakPolarHBondContact O-CA 3.37Å; T890-M956 HydrophobicContact CG2-CE 4.36Å; T890-M956 HydrophobicContact CG2-CG 3.87Å; T890-M956 HydrophobicContact CG2-SD 4.35Å; M956-L963 WeakPolarHBondContact O-CA 3.22Å; M956-F964 HydrophobicContact CB-CD1 4.09Å; M956-F964 HydrophobicContact CB-CD2 4.24Å; M956-F964 HydrophobicContact CB-CE1 3.55Å; M956-F964 HydrophobicContact CB-CE2 3.73Å; M956-F964 HydrophobicContact CB-CG 4.41Å; M956-F964 HydrophobicContact CB-CZ 3.35Å; M956-F964 HydrophobicContact CE-CZ 4.29Å; M956-F964 HydrophobicContact CG-CE2 4.24Å; M956-F964 HydrophobicContact CG-CZ 4.12Å; M956-F964 PolarHBondContact N-O 3Å; M956-F964 PolarHBondContact O-N 3.41Å; M956-F964 HydrophobicContact SD-CE2 3.89Å; M956-F964 HydrophobicContact SD-CZ 3.82Å; M956-I966 HydrophobicContact CG-CD1 4.08Å; M956-I966 HydrophobicContact CG-CG1 4.34Å; M956-I966 HydrophobicContact CG-CG2 4.34Å; M956-I966 HydrophobicContact SD-CD1 3.74Å; M956-I966 HydrophobicContact SD-CG1 4.4Å; M956-I966 HydrophobicContact SD-CG2 3.94Å
957	I	96.8	Very high	89.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.8	172.9	-167.8	173.7	0	0	0	109.3	A888 T889 I891 I894 L910 W913 L914 F931 N962 L963	A888-I957 WeakPolarHBondContact CA-O 3.33Å; T889-I957 PolarHBondContact N-O 3.39Å; T889-I957 PolarHBondContact O-N 2.84Å; I891-I957 HydrophobicContact CD1-CB 4.15Å; I891-I957 HydrophobicContact CD1-CG2 3.88Å; I894-I957 HydrophobicContact CD1-CG2 3.42Å; I894-I957 VanDerWaalsContact CD1-CG2 3.42Å; L910-I957 HydrophobicContact CD1-CD1 4.19Å; L910-I957 HydrophobicContact CD1-CG2 4.16Å; W913-I957 HydrophobicContact CE3-CG2 4.3Å; W913-I957 HydrophobicContact CH2-CG2 4.11Å; W913-I957 HydrophobicContact CZ3-CG2 3.74Å; L914-I957 HydrophobicContact CD1-CD1 4.39Å; F931-I957 HydrophobicContact CD2-CD1 3.69Å; F931-I957 HydrophobicContact CE2-CD1 4.04Å; I957-N962 CarbonylContact C-O 3.56Å; I957-N962 WeakPolarHBondContact CA-O 3.07Å; I957-L963 HydrophobicContact CB-CD1 4.37Å
958	T	96.3	Very high	89.7	Confident	11 Å²	11	23 Å²	23	7%	0.067	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	159	172.4	60.8	0	0	0	0	111.3	L868 V885 D887 A888 T960 G961 N962 F964	L868-T958 HydrophobicContact CD1-CG2 4.24Å; V885-T958 HydrophobicContact CG1-CG2 4.16Å; D887-T958 CarbonylContact O-C 3.46Å; D887-T958 VanDerWaalsContact O-CA 3.26Å; D887-T958 WeakPolarHBondContact O-CA 3.36Å; A888-T958 HydrophobicContact CB-CG2 4.17Å; T958-T960 PolarHBondContact O-N 3.03Å; T958-T960 VanDerWaalsContact O-N 3.08Å; T958-T960 PolarHBondContact OG1-OG1 3.34Å; T958-G961 PolarHBondContact O-N 2.94Å; T958-N962 HydrophobicContact CG2-CB 4.18Å; T958-N962 PolarHBondContact N-O 2.79Å; T958-N962 WeakPolarHBondContact OG1-CA 3.36Å; T958-N962 WeakPolarHBondContact OG1-CB 3.41Å; T958-N962 PolarHBondContact OG1-N 2.93Å; T958-N962 PolarHBondContact OG1-O 3.12Å; T958-F964 HydrophobicContact CG2-CD1 4.44Å; T958-F964 HydrophobicContact CG2-CE1 3.94Å
959	E	94.3	Very high	89.4	Confident	61 Å²	61	24 Å²	24	29%	0.285	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.9	174.2	-68.1	-170.5	171.9	0	0	113.3	D887 W913 R917 C918	D887-E959 HydrophobicContact CB-CB 4.28Å; D887-E959 HydrophobicContact CB-CG 4.01Å; D887-E959 WeakPolarHBondContact O-CG 3.42Å; D887-E959 PolarHBondContact O-N 3.1Å; W913-E959 HydrophobicContact CH2-CG 4.03Å; W913-E959 HydrophobicContact CZ2-CG 4.23Å; R917-E959 HydrophobicContact CB-CB 4.27Å; R917-E959 HydrophobicContact CB-CG 4.44Å; R917-E959 HydrophobicContact CG-CB 4.42Å; R917-E959 HydrophobicContact CG-CG 4.07Å; R917-E959 IonicContact CZ-OE1 3.6Å; R917-E959 IonicContact NE-OE1 3.84Å; R917-E959 IonicContact NH1-OE1 3.52Å; R917-E959 PolarHBondContact NH1-OE1 2.89Å; C918-E959 PolarHBondContact SG-O 2.76Å
960	T	92.4	Very high	89.2	Confident	78 Å²	78	23 Å²	23	48%	0.479	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	7.4	176.1	63.2	0	0	0	0	114.1	A927 R930 T958	A927-T960 WeakPolarHBondContact CA-O 3.4Å; A927-T960 WeakPolarHBondContact CB-O 3.39Å; R930-T960 PolarHBondContact NH1-O 3.27Å; R930-T960 VanDerWaalsContact NH1-O 3.11Å; T958-T960 PolarHBondContact O-N 3.03Å; T958-T960 VanDerWaalsContact O-N 3.08Å; T958-T960 PolarHBondContact OG1-OG1 3.34Å
961	G	94.2	Very high	88.7	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	88	5.3	174.7	0	0	0	0	0	115.4	F931 T958 L963	F931-G961 WeakPolarHBondContact CA-O 3.35Å; F931-G961 WeakPolarHBondContact CB-O 3.45Å; F931-G961 PolarHBondContact N-O 3.46Å; F931-G961 VanDerWaalsContact N-O 3.16Å; T958-G961 PolarHBondContact O-N 2.94Å; G961-L963 PolarHBondContact O-N 3.45Å
962	N	94.8	Very high	88	Confident	20 Å²	20	20.9 Å²	20.9	11%	0.107	12%	0.115	C	C	.	.			trans	-75.3	115	176.8	-154.2	-34.5	0	0	0	111.1	C866 R930 S934 I957 T958	C866-N962 PolarHBondContact O-ND2 3.45Å; C866-N962 PolarHBondContact O-OD1 2.65Å; R930-N962 HydrophobicContact CG-CB 4.1Å; S934-N962 WeakPolarHBondContact CB-OD1 3.31Å; I957-N962 CarbonylContact C-O 3.56Å; I957-N962 WeakPolarHBondContact CA-O 3.07Å; T958-N962 HydrophobicContact CG2-CB 4.18Å; T958-N962 PolarHBondContact N-O 2.79Å; T958-N962 WeakPolarHBondContact OG1-CA 3.36Å; T958-N962 WeakPolarHBondContact OG1-CB 3.41Å; T958-N962 PolarHBondContact OG1-N 2.93Å; T958-N962 PolarHBondContact OG1-O 3.12Å
963	L	97.1	Very high	87	Confident	2 Å²	2	21.9 Å²	21.9	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	134.3	175.5	-173	80.3	0	0	0	110	I891 F931 S934 C935 Y938 I955 M956 I957 G961 F994	I891-L963 HydrophobicContact CD1-CD1 4.3Å; F931-L963 HydrophobicContact CD2-CB 4.25Å; F931-L963 HydrophobicContact CE2-CB 4.35Å; F931-L963 HydrophobicContact CE2-CD1 4.03Å; F931-L963 HydrophobicContact CE2-CD2 4.44Å; S934-L963 WeakPolarHBondContact CB-O 3.34Å; S934-L963 PolarHBondContact OG-N 2.83Å; C935-L963 HydrophobicContact CB-CD2 3.89Å; Y938-L963 WeakPolarHBondContact CD2-O 3.14Å; Y938-L963 WeakPolarHBondContact CE2-O 3.46Å; I955-L963 HydrophobicContact CG2-CD1 3.52Å; I955-L963 HydrophobicContact CG2-CD2 4.49Å; I955-L963 HydrophobicContact CG2-CG 4.06Å; M956-L963 WeakPolarHBondContact O-CA 3.22Å; I957-L963 HydrophobicContact CB-CD1 4.37Å; G961-L963 PolarHBondContact O-N 3.45Å; L963-F994 HydrophobicContact CD1-CZ 4.23Å; L963-F994 HydrophobicContact CD2-CE2 4.1Å; L963-F994 HydrophobicContact CD2-CZ 4.46Å
964	F	97.1	Very high	86.1	Confident	1 Å²	1	22.2 Å²	22.2	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.8	175.4	66.1	-79.3	0	0	0	113.3	L868 Y870 V885 A888 Y938 M956 T958 I966	L868-F964 HydrophobicContact CB-CB 3.92Å; L868-F964 HydrophobicContact CB-CG 4.22Å; L868-F964 HydrophobicContact CD1-CD1 4.1Å; L868-F964 HydrophobicContact CD1-CE1 4.36Å; L868-F964 HydrophobicContact CD1-CG 4.45Å; Y870-F964 HydrophobicContact CD1-CD2 4.37Å; V885-F964 HydrophobicContact CB-CE2 4.26Å; V885-F964 HydrophobicContact CB-CZ 3.77Å; V885-F964 HydrophobicContact CG1-CE1 4.08Å; V885-F964 HydrophobicContact CG1-CZ 3.85Å; V885-F964 HydrophobicContact CG2-CE2 3.86Å; V885-F964 HydrophobicContact CG2-CZ 3.88Å; A888-F964 HydrophobicContact CB-CE1 3.8Å; A888-F964 HydrophobicContact CB-CZ 3.71Å; Y938-F964 VanDerWaalsContact CE2-CA 3.42Å; Y938-F964 HydrophobicContact CE2-CB 3.62Å; Y938-F964 WeakPolarHBondContact OH-CB 3.47Å; M956-F964 HydrophobicContact CB-CD1 4.09Å; M956-F964 HydrophobicContact CB-CD2 4.24Å; M956-F964 HydrophobicContact CB-CE1 3.55Å; M956-F964 HydrophobicContact CB-CE2 3.73Å; M956-F964 HydrophobicContact CB-CG 4.41Å; M956-F964 HydrophobicContact CB-CZ 3.35Å; M956-F964 HydrophobicContact CE-CZ 4.29Å; M956-F964 HydrophobicContact CG-CE2 4.24Å; M956-F964 HydrophobicContact CG-CZ 4.12Å; M956-F964 PolarHBondContact N-O 3Å; M956-F964 PolarHBondContact O-N 3.41Å; M956-F964 HydrophobicContact SD-CE2 3.89Å; M956-F964 HydrophobicContact SD-CZ 3.82Å; T958-F964 HydrophobicContact CG2-CD1 4.44Å; T958-F964 HydrophobicContact CG2-CE1 3.94Å; F964-I966 HydrophobicContact CD2-CG2 3.83Å; F964-I966 HydrophobicContact CE2-CG2 3.62Å
965	H	94.6	Very high	85	Confident	5 Å²	5	23.9 Å²	23.9	2%	0.023	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	145.1	-179.5	-71.3	-141.7	0	0	0	110.1	Y938 R950 F968	Y938-H965 HydrophobicContact CD1-CB 3.85Å; Y938-H965 AromaticContact CD1-CD2 3.61Å; Y938-H965 AromaticContact CD1-CG 3.76Å; Y938-H965 HydrophobicContact CE1-CB 3.93Å; Y938-H965 AromaticContact CG-CD2 3.68Å; R950-H965 WeakPolarHBondContact CD-ND1 3.39Å; H965-F968 HydrophobicContact CB-CE1 3.84Å; H965-F968 HydrophobicContact CB-CZ 4.19Å; H965-F968 WeakPolarHBondContact O-CZ 3.35Å
966	I	92.4	Very high	83.3	Confident	37 Å²	37	27.9 Å²	27.9	19%	0.19	15%	0.15	C	C	.	.			trans	-127.4	166.8	176.2	61.2	163.3	0	0	0	111	Y870 R950 N954 M956 F964	Y870-I966 HydrophobicContact CE1-CB 4.42Å; Y870-I966 HydrophobicContact CE1-CG2 3.74Å; Y870-I966 WeakPolarHBondContact OH-CA 3.45Å; R950-I966 PolarHBondContact NH1-O 3.35Å; N954-I966 HydrophobicContact CB-CG1 4.49Å; N954-I966 WeakPolarHBondContact O-CG1 3.32Å; N954-I966 PolarHBondContact O-N 3.09Å; M956-I966 HydrophobicContact CG-CD1 4.08Å; M956-I966 HydrophobicContact CG-CG1 4.34Å; M956-I966 HydrophobicContact CG-CG2 4.34Å; M956-I966 HydrophobicContact SD-CD1 3.74Å; M956-I966 HydrophobicContact SD-CG1 4.4Å; M956-I966 HydrophobicContact SD-CG2 3.94Å; F964-I966 HydrophobicContact CD2-CG2 3.83Å; F964-I966 HydrophobicContact CE2-CG2 3.62Å
967	D	86	Confident	81.2	Confident	70 Å²	70	30.4 Å²	30.4	37%	0.374	17%	0.171	S	C	.	.			trans	57	79.7	175.1	-163.9	-0.7	0	0	0	112.4	R950 G969	R950-D967 PolarHBondContact NH1-O 3.39Å; R950-D967 PolarHBondContact NH2-O 3.4Å; D967-G969 PolarHBondContact O-N 3.37Å
968	F	83.9	Confident	78.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.194	C	C	.	.			trans	-86.7	40.3	-171.2	-60.2	-73.5	0	0	0	113.3	Q843 D844 I847 L848 L851 Y870 I947 H965 H970	Q843-F968 PolarHBondContact NE2-O 2.89Å; D844-F968 PolarHBondContact OD1-N 3.42Å; I847-F968 HydrophobicContact CB-CB 4.02Å; I847-F968 HydrophobicContact CB-CD2 4.22Å; I847-F968 HydrophobicContact CB-CG 4Å; I847-F968 HydrophobicContact CG1-CB 4.03Å; I847-F968 HydrophobicContact CG2-CB 4.02Å; I847-F968 HydrophobicContact CG2-CD1 3.62Å; I847-F968 HydrophobicContact CG2-CD2 3.95Å; I847-F968 HydrophobicContact CG2-CE1 3.99Å; I847-F968 HydrophobicContact CG2-CE2 4.29Å; I847-F968 HydrophobicContact CG2-CG 3.58Å; I847-F968 HydrophobicContact CG2-CZ 4.31Å; L848-F968 HydrophobicContact CD2-CE2 3.84Å; L848-F968 HydrophobicContact CG-CD2 4.4Å; L848-F968 HydrophobicContact CG-CE2 3.95Å; L851-F968 HydrophobicContact CD1-CZ 4.03Å; Y870-F968 HydrophobicContact CE1-CE2 4.19Å; Y870-F968 WeakPolarHBondContact OH-CE2 3.38Å; I947-F968 HydrophobicContact CD1-CD1 4.01Å; I947-F968 HydrophobicContact CD1-CE1 4.28Å; I947-F968 HydrophobicContact CG2-CD1 4.07Å; H965-F968 HydrophobicContact CB-CE1 3.84Å; H965-F968 HydrophobicContact CB-CZ 4.19Å; H965-F968 WeakPolarHBondContact O-CZ 3.35Å; F968-H970 PolarHBondContact O-N 2.92Å; F968-H970 VanDerWaalsContact O-N 3.11Å
969	G	68.9	Low	76.2	Confident	19 Å²	19	42.5 Å²	42.5	20%	0.196	23%	0.229	C	C	.	.			trans	-60.9	-21.9	-172	0	0	0	0	0	115.3	Q843 D967 Q1044	Q843-G969 VanDerWaalsContact NE2-C 3.32Å; Q843-G969 PolarHBondContact NE2-O 3.42Å; D967-G969 PolarHBondContact O-N 3.37Å; G969-Q1044 PolarHBondContact O-NE2 3.4Å; G969-Q1044 PolarHBondContact O-OE1 3.23Å
970	H	71.9	Confident	73.8	Confident	28 Å²	28	43.2 Å²	43.2	13%	0.13	25%	0.253	C	S	.	.			trans	-131.8	126.1	-177.9	-65.3	-68.9	0	0	0	112.9	I947 G948 D949 F968 K976 Q1044	I947-H970 CarbonylContact C-O 3.46Å; I947-H970 VanDerWaalsContact CA-O 3.32Å; I947-H970 WeakPolarHBondContact CA-O 3.37Å; G948-H970 PolarHBondContact N-O 3.18Å; D949-H970 HydrophobicContact CB-CB 4.46Å; D949-H970 IonicContact OD2-CD2 3.12Å; D949-H970 IonicContact OD2-NE2 3.18Å; F968-H970 PolarHBondContact O-N 2.92Å; F968-H970 VanDerWaalsContact O-N 3.11Å; H970-K976 WeakPolarHBondContact NE2-CE 3.18Å; H970-K976 PolarHBondContact NE2-NZ 2.71Å; H970-Q1044 VanDerWaalsContact CA-OE1 3.24Å; H970-Q1044 PolarHBondContact CE1-NE2 3Å; H970-Q1044 VanDerWaalsContact CE1-NE2 3.34Å; H970-Q1044 PolarHBondContact ND1-NE2 3.21Å; H970-Q1044 PolarHBondContact ND1-OE1 3.45Å
971	I	74	Confident	71.9	Confident	1 Å²	1	45 Å²	45	1%	0.005	26%	0.258	C	S	.	.			trans	-140.5	165.2	-171.4	67.5	175.4	0	0	0	113.3	Q843 I847 G946 I947 G973 N974 L1045	Q843-I971 HydrophobicContact CG-CD1 4.32Å; I847-I971 HydrophobicContact CD1-CB 4.43Å; I847-I971 HydrophobicContact CD1-CD1 4.03Å; I847-I971 HydrophobicContact CD1-CG2 3.78Å; I847-I971 HydrophobicContact CG1-CG2 3.99Å; G946-I971 CarbonylContact O-C 3.59Å; G946-I971 WeakPolarHBondContact O-CA 3.46Å; I947-I971 HydrophobicContact CG1-CG2 4.18Å; I971-G973 VanDerWaalsContact C-N 3.25Å; I971-G973 PolarHBondContact O-N 3.45Å; I971-N974 WeakPolarHBondContact O-CB 3.46Å; I971-N974 PolarHBondContact O-N 3.47Å; I971-N974 VanDerWaalsContact O-N 3.16Å; I971-L1045 HydrophobicContact CD1-CD1 3.88Å; I971-L1045 HydrophobicContact CD1-CD2 3.72Å; I971-L1045 HydrophobicContact CD1-CG 3.74Å; I971-L1045 HydrophobicContact CG1-CD2 4.07Å; I971-L1045 HydrophobicContact CG1-CG 4.35Å
972	L	68.4	Low	70.2	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.021	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	34.7	177.7	-57	-169.4	0	0	0	115.3	L945 G946 N974 F1034 L1038 L1045 D1050 Y1053 I1054	L945-L972 WeakPolarHBondContact O-CA 3.33Å; L945-L972 PolarHBondContact O-N 3.39Å; G946-L972 PolarHBondContact O-N 3.23Å; G946-L972 VanDerWaalsContact O-N 3.14Å; L972-N974 VanDerWaalsContact C-N 3.3Å; L972-N974 PolarHBondContact O-N 3.49Å; L972-F1034 HydrophobicContact CD1-CD1 4.06Å; L972-F1034 HydrophobicContact CD2-CD1 4.21Å; L972-F1034 HydrophobicContact CD2-CE1 4.27Å; L972-L1038 HydrophobicContact CD1-CD1 4.38Å; L972-L1045 HydrophobicContact CB-CD2 4.37Å; L972-L1045 HydrophobicContact CD1-CD2 3.14Å; L972-L1045 HydrophobicContact CG-CD2 3.72Å; L972-D1050 HydrophobicContact CB-CB 4.37Å; L972-D1050 HydrophobicContact CD1-CB 4.13Å; L972-D1050 WeakPolarHBondContact CD1-O 3.45Å; L972-Y1053 HydrophobicContact CD2-CD1 4.34Å; L972-I1054 HydrophobicContact CD1-CD1 4.37Å; L972-I1054 HydrophobicContact CD2-CD1 3.77Å; L972-I1054 HydrophobicContact CD2-CG1 3.71Å
973	G	61.1	Low	68.5	Low	21 Å²	21	50.3 Å²	50.3	22%	0.216	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	5.2	176.6	0	0	0	0	0	115.4	G946 I971 Y975	G946-G973 PolarHBondContact O-N 2.9Å; G946-G973 VanDerWaalsContact O-N 3.14Å; I971-G973 VanDerWaalsContact C-N 3.25Å; I971-G973 PolarHBondContact O-N 3.45Å; G973-Y975 VanDerWaalsContact CA-CZ 3.5Å; G973-Y975 WeakPolarHBondContact O-CD2 3.43Å; G973-Y975 PolarHBondContact O-N 2.85Å
974	N	64.2	Low	66.9	Low	58 Å²	58	52.6 Å²	52.6	31%	0.31	30%	0.295	S	S	.	.			trans	-74.8	68.6	172.6	-77.3	-45	0	0	0	111.5	I971 L972 Q1044 D1050	I971-N974 WeakPolarHBondContact O-CB 3.46Å; I971-N974 PolarHBondContact O-N 3.47Å; I971-N974 VanDerWaalsContact O-N 3.16Å; L972-N974 VanDerWaalsContact C-N 3.3Å; L972-N974 PolarHBondContact O-N 3.49Å; N974-Q1044 PolarHBondContact ND2-O 3.45Å; N974-D1050 PolarHBondContact ND2-OD1 2.91Å
975	Y	66.8	Low	65.2	Low	54 Å²	54	58 Å²	58	21%	0.212	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-81.4	141.8	-176.1	-54.1	-53	0	0	0	112.2	G973 S977 N982 E984	G973-Y975 VanDerWaalsContact CA-CZ 3.5Å; G973-Y975 WeakPolarHBondContact O-CD2 3.43Å; G973-Y975 PolarHBondContact O-N 2.85Å; Y975-S977 PolarHBondContact O-N 2.98Å; Y975-N982 VanDerWaalsContact CB-OD1 3.29Å; Y975-N982 WeakPolarHBondContact CB-OD1 3.31Å; Y975-N982 WeakPolarHBondContact CD2-ND2 3.45Å; Y975-E984 HydrophobicContact CD1-CB 4.21Å; Y975-E984 HydrophobicContact CD1-CG 3.38Å; Y975-E984 WeakPolarHBondContact CD1-OE1 3.31Å; Y975-E984 WeakPolarHBondContact CD1-OE2 3.28Å; Y975-E984 HydrophobicContact CD2-CB 4.28Å; Y975-E984 HydrophobicContact CD2-CG 4.26Å; Y975-E984 HydrophobicContact CE1-CB 4.42Å; Y975-E984 HydrophobicContact CE1-CG 3.84Å; Y975-E984 WeakPolarHBondContact CE1-OE2 3.37Å; Y975-E984 HydrophobicContact CE2-CB 4.44Å; Y975-E984 HydrophobicContact CG-CB 4.13Å; Y975-E984 HydrophobicContact CG-CG 3.61Å
976	K	57.4	Low	64.2	Low	83 Å²	83	58.7 Å²	58.7	36%	0.361	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-64.8	127.2	169.5	-74.5	177.1	-179	142.2	0	109.8	D949 H970 K983	D949-K976 IonicContact OD2-NZ 3.53Å; D949-K976 PolarHBondContact OD2-NZ 3.03Å; H970-K976 WeakPolarHBondContact NE2-CE 3.18Å; H970-K976 PolarHBondContact NE2-NZ 2.71Å; K976-K983 HydrophobicContact CB-CD 3.95Å; K976-K983 VanDerWaalsContact O-CB 3.29Å; K976-K983 WeakPolarHBondContact O-CB 3.23Å; K976-K983 WeakPolarHBondContact O-CD 3.48Å; K976-K983 WeakPolarHBondContact O-CG 3.39Å; K976-K983 PolarHBondContact O-N 2.85Å
977	S	52.6	Low	63.4	Low	86 Å²	86	58 Å²	58	60%	0.601	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	147.2	167.4	60.5	0	0	0	0	110.5	Y975 I981	Y975-S977 PolarHBondContact O-N 2.98Å; S977-I981 WeakPolarHBondContact CA-O 2.88Å
978	F	44.6	Very low	63.3	Low	110 Å²	110	55.1 Å²	55.1	48%	0.482	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.2	170.5	-176.9	-102.2	0	0	0	108.4	G980 I981 K983	F978-G980 PolarHBondContact O-N 2.81Å; F978-I981 PolarHBondContact N-O 2.81Å; F978-I981 PolarHBondContact O-N 2.9Å; F978-K983 HydrophobicContact CB-CG 4.34Å
979	L	44.3	Very low	63.4	Low	155 Å²	155	55.6 Å²	55.6	81%	0.812	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	33.5	-175.9	-65.1	168.3	0	0	0	114	I981	L979-I981 VanDerWaalsContact C-N 3.28Å; L979-I981 PolarHBondContact O-N 2.83Å
980	G	43.4	Very low	64.4	Low	75 Å²	75	54.8 Å²	54.8	77%	0.773	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	1.6	-179.8	0	0	0	0	0	115.4	F978	F978-G980 PolarHBondContact O-N 2.81Å
981	I	52.1	Low	65.2	Low	116 Å²	116	53.4 Å²	53.4	60%	0.595	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.1	171.9	-62.4	162.7	0	0	0	108.7	S977 F978 L979 K983	S977-I981 WeakPolarHBondContact CA-O 2.88Å; F978-I981 PolarHBondContact N-O 2.81Å; F978-I981 PolarHBondContact O-N 2.9Å; L979-I981 VanDerWaalsContact C-N 3.28Å; L979-I981 PolarHBondContact O-N 2.83Å; I981-K983 PolarHBondContact O-N 3.42Å
982	N	58.2	Low	65.9	Low	76 Å²	76	54.6 Å²	54.6	41%	0.406	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	128.9	173.3	-168.2	-12.4	0	0	0	109.6	Y975 E984	Y975-N982 VanDerWaalsContact CB-OD1 3.29Å; Y975-N982 WeakPolarHBondContact CB-OD1 3.31Å; Y975-N982 WeakPolarHBondContact CD2-ND2 3.45Å; N982-E984 PolarHBondContact O-N 3.26Å; N982-E984 PolarHBondContact OD1-N 3.46Å; N982-E984 VanDerWaalsContact OD1-N 3.15Å
983	K	59	Low	66.9	Low	55 Å²	55	54.5 Å²	54.5	24%	0.239	30%	0.297	C	S	.	.	S	Bend	trans	-68.4	-26.1	180	-76.5	-178.3	174.6	-175.2	0	112.6	K976 F978 I981 R985 Q1099	K976-K983 HydrophobicContact CB-CD 3.95Å; K976-K983 VanDerWaalsContact O-CB 3.29Å; K976-K983 WeakPolarHBondContact O-CB 3.23Å; K976-K983 WeakPolarHBondContact O-CD 3.48Å; K976-K983 WeakPolarHBondContact O-CG 3.39Å; K976-K983 PolarHBondContact O-N 2.85Å; F978-K983 HydrophobicContact CB-CG 4.34Å; I981-K983 PolarHBondContact O-N 3.42Å; K983-R985 PolarHBondContact O-N 3.11Å; K983-Q1099 VanDerWaalsContact CE-OE1 3.28Å
984	E	63.2	Low	68.5	Low	50 Å²	50	53.5 Å²	53.5	23%	0.234	29%	0.286	C	S	.	.			trans	-84.6	111.4	-178.3	-59.4	-131	161.3	0	0	110.6	G948 D949 Y975 N982	G948-E984 VanDerWaalsContact C-OE1 3.24Å; G948-E984 WeakPolarHBondContact CA-OE1 2.9Å; D949-E984 PolarHBondContact N-OE1 3.37Å; Y975-E984 HydrophobicContact CD1-CB 4.21Å; Y975-E984 HydrophobicContact CD1-CG 3.38Å; Y975-E984 WeakPolarHBondContact CD1-OE1 3.31Å; Y975-E984 WeakPolarHBondContact CD1-OE2 3.28Å; Y975-E984 HydrophobicContact CD2-CB 4.28Å; Y975-E984 HydrophobicContact CD2-CG 4.26Å; Y975-E984 HydrophobicContact CE1-CB 4.42Å; Y975-E984 HydrophobicContact CE1-CG 3.84Å; Y975-E984 WeakPolarHBondContact CE1-OE2 3.37Å; Y975-E984 HydrophobicContact CE2-CB 4.44Å; Y975-E984 HydrophobicContact CG-CB 4.13Å; Y975-E984 HydrophobicContact CG-CG 3.61Å; N982-E984 PolarHBondContact O-N 3.26Å; N982-E984 PolarHBondContact OD1-N 3.46Å; N982-E984 VanDerWaalsContact OD1-N 3.15Å
985	R	62.2	Low	69.8	Low	114 Å²	114	51.2 Å²	51.2	43%	0.43	27%	0.274	S	S	.	.			trans	-100	-13.6	-176.7	-64	-177.7	177.8	-179.7	-0.6	113	K983 K1081	K983-R985 PolarHBondContact O-N 3.11Å; R985-K1081 WeakPolarHBondContact O-CD 3.37Å; R985-K1081 PolarHBondContact O-NZ 3.23Å
986	V	73.6	Confident	71.1	Confident	20 Å²	20	51.7 Å²	51.7	12%	0.121	28%	0.277	C	S	.	.	S	Bend	trans	-133.6	151	-175.7	-66.7	0	0	0	0	109.9	F988 K1081 V1085	V986-F988 VanDerWaalsContact C-N 3.34Å; V986-F988 VanDerWaalsContact CG2-O 3.23Å; V986-F988 WeakPolarHBondContact CG2-O 3.4Å; V986-K1081 HydrophobicContact CG1-CB 3.62Å; V986-K1081 HydrophobicContact CG1-CD 4.29Å; V986-V1085 HydrophobicContact CB-CG2 4.36Å; V986-V1085 HydrophobicContact CG1-CG2 3.84Å; V986-V1085 HydrophobicContact CG2-CG2 3.55Å
987	P	74.9	Confident	72.8	Confident	23 Å²	23	48 Å²	48	15%	0.149	26%	0.262	C	S	.	.	S	Bend	trans	-71.2	-25.4	-179.2	27.4	-35.3	0	0	0	113.9	F943 Q1074 C1078	F943-P987 HydrophobicContact CD2-CB 3.83Å; F943-P987 HydrophobicContact CE2-CB 3.93Å; P987-Q1074 HydrophobicContact CB-CB 4.38Å; P987-Q1074 HydrophobicContact CG-CB 3.84Å; P987-Q1074 HydrophobicContact CG-CG 4.38Å; P987-C1078 WeakPolarHBondContact CD-SG 3.49Å; P987-C1078 WeakPolarHBondContact CG-SG 3.46Å
988	F	85.4	Confident	74.8	Confident	9 Å²	9	44 Å²	44	4%	0.039	23%	0.233	C	C	.	.	S	Bend	trans	-159.3	171	171.8	48.7	-94.2	0	0	0	109.7	C939 F943 V986 L990 F1071 Q1074 I1075 C1078	C939-F988 HydrophobicContact CB-CD2 3.73Å; C939-F988 HydrophobicContact CB-CE2 3.98Å; C939-F988 HydrophobicContact CB-CG 4.24Å; C939-F988 VanDerWaalsContact SG-CD2 3.56Å; F943-F988 HydrophobicContact CB-CD1 3.84Å; F943-F988 HydrophobicContact CD2-CD1 4.05Å; F943-F988 HydrophobicContact CD2-CE1 4.49Å; F943-F988 HydrophobicContact CG-CD1 4.19Å; V986-F988 VanDerWaalsContact C-N 3.34Å; V986-F988 VanDerWaalsContact CG2-O 3.23Å; V986-F988 WeakPolarHBondContact CG2-O 3.4Å; F988-L990 HydrophobicContact CD2-CB 4.32Å; F988-L990 HydrophobicContact CE2-CB 4.19Å; F988-L990 PolarHBondContact O-N 3.35Å; F988-F1071 HydrophobicContact CE1-CE2 4.49Å; F988-F1071 HydrophobicContact CE1-CZ 4.16Å; F988-F1071 HydrophobicContact CZ-CZ 4.46Å; F988-Q1074 HydrophobicContact CE1-CB 3.96Å; F988-I1075 HydrophobicContact CE2-CG1 4.45Å; F988-I1075 HydrophobicContact CZ-CB 4.43Å; F988-I1075 HydrophobicContact CZ-CG1 3.74Å; F988-C1078 HydrophobicContact CE2-CB 4.36Å; F988-C1078 PolarHBondContact O-SG 3.42Å; F988-C1078 VanDerWaalsContact O-SG 3.32Å
989	V	85.8	Confident	76.9	Confident	10 Å²	10	41.5 Å²	41.5	6%	0.061	24%	0.239	C	C	.	.			trans	-84.1	107.2	-177.7	178.7	0	0	0	0	110.8	R950 I955 T991 F994 W1089	R950-V989 HydrophobicContact CB-CG2 3.41Å; R950-V989 VanDerWaalsContact CB-CG2 3.41Å; R950-V989 HydrophobicContact CG-CG2 4.3Å; I955-V989 HydrophobicContact CD1-CB 4.16Å; I955-V989 HydrophobicContact CD1-CG1 3.78Å; I955-V989 HydrophobicContact CD1-CG2 4.25Å; V989-T991 HydrophobicContact CG1-CG2 4.14Å; V989-F994 HydrophobicContact CG1-CE2 3.88Å; V989-F994 HydrophobicContact CG1-CZ 4.42Å; V989-W1089 HydrophobicContact CG1-CH2 4.14Å; V989-W1089 HydrophobicContact CG1-CZ2 3.57Å
990	L	90.1	Very high	78.7	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.01	20%	0.202	C	C	.	.			trans	-135.2	92.6	166.3	-179.7	66.1	0	0	0	108.4	F988 F994 L995 M998 F1012 I1075 C1078	F988-L990 HydrophobicContact CD2-CB 4.32Å; F988-L990 HydrophobicContact CE2-CB 4.19Å; F988-L990 PolarHBondContact O-N 3.35Å; L990-F994 HydrophobicContact CD1-CB 4.3Å; L990-L995 HydrophobicContact CD1-CD2 3.94Å; L990-L995 HydrophobicContact CD1-CG 4.38Å; L990-L995 HydrophobicContact CD2-CD2 4.09Å; L990-L995 HydrophobicContact CG-CD2 4Å; L990-L995 HydrophobicContact CG-CG 4.33Å; L990-M998 HydrophobicContact CD1-CE 4.44Å; L990-F1012 HydrophobicContact CD1-CE1 4.35Å; L990-F1012 HydrophobicContact CD1-CZ 4.04Å; L990-F1012 HydrophobicContact CD2-CE1 3.93Å; L990-F1012 HydrophobicContact CD2-CZ 4.17Å; L990-I1075 HydrophobicContact CD2-CG2 4.03Å; L990-C1078 HydrophobicContact CB-CB 3.86Å; L990-C1078 HydrophobicContact CD2-CB 4.38Å
991	T	88.3	Confident	80.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.19	C	C	.	.			trans	-92.9	160.7	-173.5	40.4	0	0	0	0	112.2	V989 D993 F994 L995 V1085 Q1086 W1089	V989-T991 HydrophobicContact CG1-CG2 4.14Å; T991-D993 VanDerWaalsContact C-N 3.25Å; T991-D993 WeakPolarHBondContact CB-OD1 3.39Å; T991-D993 PolarHBondContact O-N 2.85Å; T991-D993 PolarHBondContact OG1-OD1 2.96Å; T991-F994 WeakPolarHBondContact O-CB 3.39Å; T991-F994 PolarHBondContact O-N 3.04Å; T991-F994 WeakPolarHBondContact OG1-CD1 3.38Å; T991-F994 WeakPolarHBondContact OG1-CG 3.35Å; T991-L995 PolarHBondContact O-N 2.94Å; T991-V1085 HydrophobicContact CG2-CB 3.9Å; T991-V1085 HydrophobicContact CG2-CG1 3.61Å; T991-Q1086 HydrophobicContact CG2-CG 4.39Å; T991-W1089 HydrophobicContact CG2-CE3 4.42Å; T991-W1089 HydrophobicContact CG2-CH2 3.72Å; T991-W1089 HydrophobicContact CG2-CZ2 3.84Å; T991-W1089 HydrophobicContact CG2-CZ3 4.02Å; T991-W1089 WeakPolarHBondContact OG1-CH2 3.31Å
992	P	88.7	Confident	81.2	Confident	26 Å²	26	31.5 Å²	31.5	17%	0.169	19%	0.189	C	C	.	.	H	α-helix	trans	-56.9	-33.1	178.2	-27.8	36.1	0	0	0	114.8	D907 F994 L995 F996	D907-P992 WeakPolarHBondContact OD1-CB 3.43Å; P992-F994 VanDerWaalsContact C-N 3.35Å; P992-L995 PolarHBondContact O-N 2.86Å; P992-F996 WeakPolarHBondContact O-CB 3.44Å; P992-F996 PolarHBondContact O-N 2.84Å
993	D	89.2	Confident	81.7	Confident	1 Å²	1	35 Å²	35	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-65.3	-35.3	173.2	59.5	-18.8	0	0	0	112.7	Q895 D907 L910 T991 F996 V997	Q895-D993 PolarHBondContact NE2-OD2 3.35Å; Q895-D993 VanDerWaalsContact NE2-OD2 3.09Å; D907-D993 WeakPolarHBondContact O-CA 3.21Å; L910-D993 HydrophobicContact CB-CB 4.45Å; T991-D993 VanDerWaalsContact C-N 3.25Å; T991-D993 WeakPolarHBondContact CB-OD1 3.39Å; T991-D993 PolarHBondContact O-N 2.85Å; T991-D993 PolarHBondContact OG1-OD1 2.96Å; D993-F996 PolarHBondContact O-N 3Å; D993-V997 WeakPolarHBondContact O-CG2 3.38Å; D993-V997 PolarHBondContact O-N 2.92Å
994	F	94	Very high	82.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.8	-42.7	174.3	-66.2	4.5	0	0	0	111	I891 L910 F931 I955 L963 V989 L990 T991 P992 F996 V997 M998 W1089	I891-F994 HydrophobicContact CD1-CE1 4.35Å; I891-F994 HydrophobicContact CG1-CE1 4.35Å; I891-F994 HydrophobicContact CG1-CZ 4.49Å; L910-F994 HydrophobicContact CD2-CD1 3.62Å; L910-F994 HydrophobicContact CD2-CE1 3.81Å; F931-F994 HydrophobicContact CE1-CB 4.26Å; F931-F994 HydrophobicContact CZ-CB 3.85Å; F931-F994 AromaticContact CZ-CD1 3.98Å; F931-F994 HydrophobicContact CZ-CD1 3.98Å; F931-F994 HydrophobicContact CZ-CD2 4.46Å; F931-F994 AromaticContact CZ-CG 3.85Å; F931-F994 HydrophobicContact CZ-CG 3.85Å; I955-F994 HydrophobicContact CD1-CZ 4.4Å; I955-F994 HydrophobicContact CG2-CZ 4.2Å; L963-F994 HydrophobicContact CD1-CZ 4.23Å; L963-F994 HydrophobicContact CD2-CE2 4.1Å; L963-F994 HydrophobicContact CD2-CZ 4.46Å; V989-F994 HydrophobicContact CG1-CE2 3.88Å; V989-F994 HydrophobicContact CG1-CZ 4.42Å; L990-F994 HydrophobicContact CD1-CB 4.3Å; T991-F994 WeakPolarHBondContact O-CB 3.39Å; T991-F994 PolarHBondContact O-N 3.04Å; T991-F994 WeakPolarHBondContact OG1-CD1 3.38Å; T991-F994 WeakPolarHBondContact OG1-CG 3.35Å; P992-F994 VanDerWaalsContact C-N 3.35Å; F994-F996 PolarHBondContact O-N 3.18Å; F994-V997 PolarHBondContact O-N 2.67Å; F994-M998 WeakPolarHBondContact O-CG 3.33Å; F994-M998 PolarHBondContact O-N 3.26Å; F994-W1089 HydrophobicContact CE1-CH2 4.04Å; F994-W1089 AromaticContact CZ-CH2 3.89Å; F994-W1089 HydrophobicContact CZ-CH2 3.89Å
995	L	92.7	Very high	83.4	Confident	11 Å²	11	41.4 Å²	41.4	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-36.1	174.9	-66.5	175.6	0	0	0	111.7	L990 T991 P992 M998 G999 T1000 F1009 R1079	L990-L995 HydrophobicContact CD1-CD2 3.94Å; L990-L995 HydrophobicContact CD1-CG 4.38Å; L990-L995 HydrophobicContact CD2-CD2 4.09Å; L990-L995 HydrophobicContact CG-CD2 4Å; L990-L995 HydrophobicContact CG-CG 4.33Å; T991-L995 PolarHBondContact O-N 2.94Å; P992-L995 PolarHBondContact O-N 2.86Å; L995-M998 CarbonylContact O-C 3.52Å; L995-M998 WeakPolarHBondContact O-CA 3.27Å; L995-M998 WeakPolarHBondContact O-CB 3.37Å; L995-M998 PolarHBondContact O-N 2.95Å; L995-M998 VanDerWaalsContact O-N 3.1Å; L995-G999 PolarHBondContact O-N 3.2Å; L995-T1000 CarbonylContact C-O 3.59Å; L995-T1000 VanDerWaalsContact C-O 3.29Å; L995-T1000 HydrophobicContact CB-CG2 4.14Å; L995-T1000 WeakPolarHBondContact O-CA 3.39Å; L995-T1000 WeakPolarHBondContact O-CB 3.34Å; L995-T1000 PolarHBondContact O-N 3.2Å; L995-F1009 HydrophobicContact CD2-CD2 3.72Å; L995-F1009 HydrophobicContact CD2-CE2 3.51Å; L995-F1009 HydrophobicContact CD2-CZ 4.49Å; L995-R1079 HydrophobicContact CD1-CG 4.01Å
996	F	93.4	Very high	84.8	Confident	64 Å²	64	36.9 Å²	36.9	28%	0.281	22%	0.221	S	C	.	.	H	α-helix	trans	-65.4	-40.1	178.2	-165	-82.7	0	0	0	112.4	D907 E908 N911 P992 D993 F994 M998 G999 T1000	D907-F996 HydrophobicContact CB-CB 4.2Å; D907-F996 HydrophobicContact CB-CD2 4.11Å; D907-F996 HydrophobicContact CB-CG 4.36Å; D907-F996 WeakPolarHBondContact O-CB 3.44Å; E908-F996 HydrophobicContact CB-CD1 4.31Å; E908-F996 HydrophobicContact CB-CE1 3.78Å; E908-F996 HydrophobicContact CB-CE2 4.38Å; E908-F996 HydrophobicContact CB-CZ 3.82Å; N911-F996 HydrophobicContact CB-CD1 3.71Å; N911-F996 HydrophobicContact CB-CE1 4.08Å; P992-F996 WeakPolarHBondContact O-CB 3.44Å; P992-F996 PolarHBondContact O-N 2.84Å; D993-F996 PolarHBondContact O-N 3Å; F994-F996 PolarHBondContact O-N 3.18Å; F996-M998 PolarHBondContact O-N 2.91Å; F996-G999 WeakPolarHBondContact O-CA 3.23Å; F996-G999 PolarHBondContact O-N 3.45Å; F996-T1000 WeakPolarHBondContact CA-O 3.22Å; F996-T1000 PolarHBondContact N-O 2.99Å
997	V	93.6	Very high	85.6	Confident	6 Å²	6	43 Å²	43	4%	0.036	25%	0.252	C	S	.	.	H	α-helix	trans	-59	-35.1	171.7	177.4	0	0	0	0	110.9	L910 N911 L914 V928 F931 D993 F994 G999	L910-V997 HydrophobicContact CB-CG2 4.21Å; L910-V997 HydrophobicContact CD2-CG2 3.93Å; L910-V997 HydrophobicContact CG-CG2 3.89Å; N911-V997 HydrophobicContact CB-CG2 3.92Å; L914-V997 HydrophobicContact CD2-CG1 4.31Å; V928-V997 HydrophobicContact CG2-CG1 4.33Å; F931-V997 HydrophobicContact CB-CG1 4.31Å; F931-V997 HydrophobicContact CD1-CB 3.97Å; F931-V997 HydrophobicContact CD1-CG1 3.46Å; F931-V997 VanDerWaalsContact CD1-CG1 3.46Å; F931-V997 HydrophobicContact CD2-CG1 4.43Å; F931-V997 HydrophobicContact CE1-CB 3.76Å; F931-V997 HydrophobicContact CE1-CG1 3.8Å; F931-V997 HydrophobicContact CE1-CG2 4.4Å; F931-V997 HydrophobicContact CG-CG1 3.81Å; F931-V997 HydrophobicContact CZ-CB 4.24Å; F931-V997 HydrophobicContact CZ-CG1 4.41Å; F931-V997 HydrophobicContact CZ-CG2 4.39Å; D993-V997 WeakPolarHBondContact O-CG2 3.38Å; D993-V997 PolarHBondContact O-N 2.92Å; F994-V997 PolarHBondContact O-N 2.67Å; V997-G999 PolarHBondContact O-N 2.73Å
998	M	94.2	Very high	86.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	11.2	174.2	-54.2	-179.1	-166.3	0	0	113.2	F931 V932 C935 L990 F994 L995 F996 T1000 S1006 H1008 F1009 F1012	F931-M998 HydrophobicContact CD1-CE 4.15Å; F931-M998 HydrophobicContact CD1-CG 4.42Å; F931-M998 HydrophobicContact CE1-CE 3.69Å; F931-M998 HydrophobicContact CE1-CG 4.27Å; V932-M998 HydrophobicContact CG2-CG 3.98Å; V932-M998 HydrophobicContact CG2-SD 4.47Å; C935-M998 HydrophobicContact CB-CE 3.96Å; L990-M998 HydrophobicContact CD1-CE 4.44Å; F994-M998 WeakPolarHBondContact O-CG 3.33Å; F994-M998 PolarHBondContact O-N 3.26Å; L995-M998 CarbonylContact O-C 3.52Å; L995-M998 WeakPolarHBondContact O-CA 3.27Å; L995-M998 WeakPolarHBondContact O-CB 3.37Å; L995-M998 PolarHBondContact O-N 2.95Å; L995-M998 VanDerWaalsContact O-N 3.1Å; F996-M998 PolarHBondContact O-N 2.91Å; M998-T1000 VanDerWaalsContact C-N 3.28Å; M998-T1000 PolarHBondContact O-N 2.87Å; M998-S1006 WeakPolarHBondContact O-CB 3.47Å; M998-S1006 PolarHBondContact O-OG 2.92Å; M998-H1008 HydrophobicContact CB-CB 4.13Å; M998-H1008 WeakPolarHBondContact O-CB 3.38Å; M998-F1009 HydrophobicContact SD-CD2 4.43Å; M998-F1012 HydrophobicContact CE-CD2 3.6Å; M998-F1012 HydrophobicContact CE-CE2 3.94Å; M998-F1012 HydrophobicContact CE-CG 4.07Å; M998-F1012 HydrophobicContact SD-CB 3.82Å; M998-F1012 HydrophobicContact SD-CD1 4.35Å; M998-F1012 HydrophobicContact SD-CD2 3.97Å; M998-F1012 HydrophobicContact SD-CG 3.78Å
999	G	88.8	Confident	86.8	Confident	59 Å²	59	44.3 Å²	44.3	61%	0.608	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	19.6	178.8	0	0	0	0	0	114.5	L995 F996 V997	L995-G999 PolarHBondContact O-N 3.2Å; F996-G999 WeakPolarHBondContact O-CA 3.23Å; F996-G999 PolarHBondContact O-N 3.45Å; V997-G999 PolarHBondContact O-N 2.73Å
1000	T	82.8	Confident	87.2	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.018	28%	0.275	C	S	.	.			trans	-106.7	125.2	178.2	-75	0	0	0	0	110.7	L995 F996 M998 K1004 S1006 F1009	L995-T1000 CarbonylContact C-O 3.59Å; L995-T1000 VanDerWaalsContact C-O 3.29Å; L995-T1000 HydrophobicContact CB-CG2 4.14Å; L995-T1000 WeakPolarHBondContact O-CA 3.39Å; L995-T1000 WeakPolarHBondContact O-CB 3.34Å; L995-T1000 PolarHBondContact O-N 3.2Å; F996-T1000 WeakPolarHBondContact CA-O 3.22Å; F996-T1000 PolarHBondContact N-O 2.99Å; M998-T1000 VanDerWaalsContact C-N 3.28Å; M998-T1000 PolarHBondContact O-N 2.87Å; T1000-K1004 WeakPolarHBondContact CG2-O 3.35Å; T1000-K1004 PolarHBondContact OG1-O 3.1Å; T1000-S1006 PolarHBondContact OG1-OG 2.79Å; T1000-F1009 WeakPolarHBondContact OG1-CB 3.33Å
1001	S	78.1	Confident	87.4	Confident	76 Å²	76	52.1 Å²	52.1	53%	0.531	29%	0.29	S	S	.	.			trans	-124.2	128	171.1	-179.4	0	0	0	0	109.9
1002	G	68.7	Low	87.8	Confident	56 Å²	56	52.1 Å²	52.1	58%	0.577	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	-134.8	-175.6	0	0	0	0	0	112.5
1003	K	69.8	Low	88.2	Confident	149 Å²	149	52.2 Å²	52.2	65%	0.648	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	14.1	-179.9	-67.5	-161	176.5	-151.4	0	115.2	R1079 D1080	K1003-R1079 PolarHBondContact O-NH2 2.83Å; K1003-D1080 VanDerWaalsContact CE-OD1 3.26Å; K1003-D1080 WeakPolarHBondContact CE-OD1 3.36Å; K1003-D1080 IonicContact NZ-OD1 3.28Å; K1003-D1080 PolarHBondContact NZ-OD1 3.45Å; K1003-D1080 IonicContact NZ-OD2 3.01Å
1004	K	77.9	Confident	88.5	Confident	163 Å²	163	55.2 Å²	55.2	71%	0.709	31%	0.305	S	S	*	.			trans	-81.6	136.8	178.8	-65	-177.8	-179.6	179.2	0	110.4	T1000	T1000-K1004 WeakPolarHBondContact CG2-O 3.35Å; T1000-K1004 PolarHBondContact OG1-O 3.1Å
1005	T	79.5	Confident	88.6	Confident	77 Å²	77	55.4 Å²	55.4	47%	0.472	31%	0.306	S	S	.	.			trans	-81.5	157.5	171.4	-167.5	0	0	0	0	110.8	H1010	T1005-H1010 WeakPolarHBondContact CG2-NE2 2.99Å; T1005-H1010 PolarHBondContact OG1-CD2 3.32Å; T1005-H1010 PolarHBondContact OG1-CE1 2.76Å; T1005-H1010 VanDerWaalsContact OG1-CE1 3.24Å; T1005-H1010 PolarHBondContact OG1-NE2 3.3Å
1006	S	90.4	Very high	88.9	Confident	20 Å²	20	54.9 Å²	54.9	14%	0.14	30%	0.303	C	S	.	.			trans	-134.7	166.2	175.4	81.7	0	0	0	0	110	M998 T1000 H1008 F1009 H1010	M998-S1006 WeakPolarHBondContact O-CB 3.47Å; M998-S1006 PolarHBondContact O-OG 2.92Å; T1000-S1006 PolarHBondContact OG1-OG 2.79Å; S1006-H1008 PolarHBondContact OG-N 3.44Å; S1006-F1009 PolarHBondContact O-N 3.23Å; S1006-F1009 WeakPolarHBondContact OG-CB 3.35Å; S1006-F1009 PolarHBondContact OG-N 3.26Å; S1006-H1010 PolarHBondContact O-CD2 3.13Å; S1006-H1010 PolarHBondContact O-N 2.75Å
1007	L	91.4	Very high	89.1	Confident	148 Å²	148	52.4 Å²	52.4	78%	0.775	29%	0.293	S	S	*	.	H	α-helix	trans	-61.8	-44.2	175.3	-176.5	65.3	0	0	0	111.6	H1010 K1011	L1007-H1010 PolarHBondContact O-N 2.78Å; L1007-K1011 WeakPolarHBondContact O-CB 3.43Å; L1007-K1011 PolarHBondContact O-N 2.81Å
1008	H	92.6	Very high	89.2	Confident	58 Å²	58	56.5 Å²	56.5	27%	0.269	31%	0.31	S	S	.	.	H	α-helix	trans	-67	-35.1	177.9	-67.7	-67.3	0	0	0	112.2	V932 M998 S1006 K1011 F1012	V932-H1008 HydrophobicContact CG2-CB 4.15Å; M998-H1008 HydrophobicContact CB-CB 4.13Å; M998-H1008 WeakPolarHBondContact O-CB 3.38Å; S1006-H1008 PolarHBondContact OG-N 3.44Å; H1008-K1011 WeakPolarHBondContact O-CB 3.45Å; H1008-K1011 PolarHBondContact O-N 2.91Å; H1008-F1012 WeakPolarHBondContact O-CB 3.39Å; H1008-F1012 PolarHBondContact O-N 3.18Å
1009	F	93.4	Very high	89.4	Confident	1 Å²	1	56.5 Å²	56.5	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-69.3	-40.5	176.2	-175.7	-110.2	0	0	0	112.2	L995 M998 T1000 S1006 K1011 F1012 Q1013 I1075	L995-F1009 HydrophobicContact CD2-CD2 3.72Å; L995-F1009 HydrophobicContact CD2-CE2 3.51Å; L995-F1009 HydrophobicContact CD2-CZ 4.49Å; M998-F1009 HydrophobicContact SD-CD2 4.43Å; T1000-F1009 WeakPolarHBondContact OG1-CB 3.33Å; S1006-F1009 PolarHBondContact O-N 3.23Å; S1006-F1009 WeakPolarHBondContact OG-CB 3.35Å; S1006-F1009 PolarHBondContact OG-N 3.26Å; F1009-K1011 VanDerWaalsContact C-N 3.31Å; F1009-K1011 PolarHBondContact O-N 3.32Å; F1009-F1012 HydrophobicContact CD2-CD1 4.12Å; F1009-F1012 HydrophobicContact CE2-CD1 4.02Å; F1009-F1012 HydrophobicContact CE2-CE1 4.36Å; F1009-F1012 WeakPolarHBondContact O-CB 3.45Å; F1009-F1012 PolarHBondContact O-N 3.03Å; F1009-Q1013 HydrophobicContact CD1-CG 4.49Å; F1009-Q1013 HydrophobicContact CE1-CG 4.12Å; F1009-Q1013 HydrophobicContact CZ-CG 4.16Å; F1009-Q1013 WeakPolarHBondContact O-CG 3.22Å; F1009-Q1013 PolarHBondContact O-N 2.88Å; F1009-I1075 HydrophobicContact CE2-CG2 4.42Å; F1009-I1075 HydrophobicContact CZ-CG2 4.06Å
1010	H	93.9	Very high	89.8	Confident	98 Å²	98	53.7 Å²	53.7	45%	0.454	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-39.9	171.6	-81.6	-50.4	0	0	0	112.2	T1005 S1006 L1007 Q1013 D1014	T1005-H1010 WeakPolarHBondContact CG2-NE2 2.99Å; T1005-H1010 PolarHBondContact OG1-CD2 3.32Å; T1005-H1010 PolarHBondContact OG1-CE1 2.76Å; T1005-H1010 VanDerWaalsContact OG1-CE1 3.24Å; T1005-H1010 PolarHBondContact OG1-NE2 3.3Å; S1006-H1010 PolarHBondContact O-CD2 3.13Å; S1006-H1010 PolarHBondContact O-N 2.75Å; L1007-H1010 PolarHBondContact O-N 2.78Å; H1010-Q1013 PolarHBondContact ND1-OE1 2.82Å; H1010-Q1013 PolarHBondContact O-N 3.19Å; H1010-D1014 PolarHBondContact O-N 3.48Å
1011	K	95.3	Very high	90.5	Very high	78 Å²	78	54.9 Å²	54.9	34%	0.339	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-44.5	173.5	-177.5	61.1	175.1	179.5	0	111.5	V932 Y933 L1007 H1008 F1009 Q1013 D1014 V1015	V932-K1011 HydrophobicContact CG1-CG 4.36Å; Y933-K1011 WeakPolarHBondContact OH-CE 3.46Å; Y933-K1011 PolarHBondContact OH-NZ 3.41Å; L1007-K1011 WeakPolarHBondContact O-CB 3.43Å; L1007-K1011 PolarHBondContact O-N 2.81Å; H1008-K1011 WeakPolarHBondContact O-CB 3.45Å; H1008-K1011 PolarHBondContact O-N 2.91Å; F1009-K1011 VanDerWaalsContact C-N 3.31Å; F1009-K1011 PolarHBondContact O-N 3.32Å; K1011-Q1013 PolarHBondContact O-N 3.43Å; K1011-D1014 PolarHBondContact O-N 2.84Å; K1011-V1015 HydrophobicContact CD-CG2 4.17Å; K1011-V1015 HydrophobicContact CG-CG2 4.39Å; K1011-V1015 WeakPolarHBondContact O-CB 3.17Å; K1011-V1015 VanDerWaalsContact O-CG2 3.25Å; K1011-V1015 WeakPolarHBondContact O-CG2 3.28Å; K1011-V1015 PolarHBondContact O-N 2.53Å
1012	F	96.6	Very high	91.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.1	-47.5	173.9	167.9	-96.5	0	0	0	111.8	V932 C935 A936 L990 M998 H1008 F1009 V1015 C1016 I1075	V932-F1012 HydrophobicContact CG1-CB 3.99Å; C935-F1012 HydrophobicContact CB-CE2 4.37Å; A936-F1012 HydrophobicContact CB-CD2 3.87Å; A936-F1012 HydrophobicContact CB-CE2 3.98Å; L990-F1012 HydrophobicContact CD1-CE1 4.35Å; L990-F1012 HydrophobicContact CD1-CZ 4.04Å; L990-F1012 HydrophobicContact CD2-CE1 3.93Å; L990-F1012 HydrophobicContact CD2-CZ 4.17Å; M998-F1012 HydrophobicContact CE-CD2 3.6Å; M998-F1012 HydrophobicContact CE-CE2 3.94Å; M998-F1012 HydrophobicContact CE-CG 4.07Å; M998-F1012 HydrophobicContact SD-CB 3.82Å; M998-F1012 HydrophobicContact SD-CD1 4.35Å; M998-F1012 HydrophobicContact SD-CD2 3.97Å; M998-F1012 HydrophobicContact SD-CG 3.78Å; H1008-F1012 WeakPolarHBondContact O-CB 3.39Å; H1008-F1012 PolarHBondContact O-N 3.18Å; F1009-F1012 HydrophobicContact CD2-CD1 4.12Å; F1009-F1012 HydrophobicContact CE2-CD1 4.02Å; F1009-F1012 HydrophobicContact CE2-CE1 4.36Å; F1009-F1012 WeakPolarHBondContact O-CB 3.45Å; F1009-F1012 PolarHBondContact O-N 3.03Å; F1012-V1015 PolarHBondContact O-N 3.14Å; F1012-C1016 VanDerWaalsContact CZ-SG 3.54Å; F1012-C1016 VanDerWaalsContact O-CB 3.27Å; F1012-C1016 WeakPolarHBondContact O-CB 3.23Å; F1012-C1016 PolarHBondContact O-N 3.13Å; F1012-C1016 PolarHBondContact O-SG 3.25Å; F1012-I1075 HydrophobicContact CE1-CD1 4.36Å; F1012-I1075 HydrophobicContact CE1-CG2 4.26Å
1013	Q	96	Very high	92.7	Very high	28 Å²	28	48.8 Å²	48.8	13%	0.131	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-45.5	177.5	-70.6	178.4	-49.8	0	0	112.3	F1009 H1010 K1011 C1016 V1017 L1072 I1075	F1009-Q1013 HydrophobicContact CD1-CG 4.49Å; F1009-Q1013 HydrophobicContact CE1-CG 4.12Å; F1009-Q1013 HydrophobicContact CZ-CG 4.16Å; F1009-Q1013 WeakPolarHBondContact O-CG 3.22Å; F1009-Q1013 PolarHBondContact O-N 2.88Å; H1010-Q1013 PolarHBondContact ND1-OE1 2.82Å; H1010-Q1013 PolarHBondContact O-N 3.19Å; K1011-Q1013 PolarHBondContact O-N 3.43Å; Q1013-C1016 WeakPolarHBondContact O-CB 3.45Å; Q1013-C1016 PolarHBondContact O-N 3.32Å; Q1013-V1017 WeakPolarHBondContact O-CG2 3.27Å; Q1013-V1017 PolarHBondContact O-N 3.5Å; Q1013-L1072 HydrophobicContact CB-CD2 4.27Å; Q1013-I1075 HydrophobicContact CG-CD1 4.35Å
1014	D	96.1	Very high	93.8	Very high	65 Å²	65	43.1 Å²	43.1	35%	0.348	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-46.4	177.2	177.8	62.3	0	0	0	111.8	H1010 K1011 V1017 K1018	H1010-D1014 PolarHBondContact O-N 3.48Å; K1011-D1014 PolarHBondContact O-N 2.84Å; D1014-V1017 PolarHBondContact O-N 3.02Å; D1014-K1018 WeakPolarHBondContact O-CB 3.46Å; D1014-K1018 WeakPolarHBondContact O-CG 3.39Å; D1014-K1018 PolarHBondContact O-N 3.31Å; D1014-K1018 VanDerWaalsContact OD1-CE 3.28Å; D1014-K1018 WeakPolarHBondContact OD1-CE 3.29Å; D1014-K1018 IonicContact OD1-NZ 2.72Å; D1014-K1018 PolarHBondContact OD1-NZ 3.35Å; D1014-K1018 WeakPolarHBondContact OD2-CE 3.49Å; D1014-K1018 IonicContact OD2-NZ 3.69Å; D1014-K1018 PolarHBondContact OD2-NZ 3.38Å
1015	V	96.8	Very high	94.5	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-45.9	178.5	173.6	0	0	0	0	110.8	L865 Y933 A936 K1011 F1012 V1017 K1018 A1019	L865-V1015 HydrophobicContact CD2-CG1 3.35Å; Y933-V1015 HydrophobicContact CD1-CG1 3.97Å; Y933-V1015 HydrophobicContact CD1-CG2 4.21Å; Y933-V1015 HydrophobicContact CE1-CG1 4.25Å; Y933-V1015 HydrophobicContact CE1-CG2 3.79Å; A936-V1015 HydrophobicContact CB-CB 4.14Å; A936-V1015 HydrophobicContact CB-CG1 3.6Å; K1011-V1015 HydrophobicContact CD-CG2 4.17Å; K1011-V1015 HydrophobicContact CG-CG2 4.39Å; K1011-V1015 WeakPolarHBondContact O-CB 3.17Å; K1011-V1015 VanDerWaalsContact O-CG2 3.25Å; K1011-V1015 WeakPolarHBondContact O-CG2 3.28Å; K1011-V1015 PolarHBondContact O-N 2.53Å; F1012-V1015 PolarHBondContact O-N 3.14Å; V1015-V1017 PolarHBondContact O-N 3.11Å; V1015-K1018 PolarHBondContact O-N 2.92Å; V1015-A1019 VanDerWaalsContact O-CB 3.23Å; V1015-A1019 WeakPolarHBondContact O-CB 3.4Å; V1015-A1019 PolarHBondContact O-N 3.16Å
1016	C	97.7	Very high	95.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-55.6	-48.5	174.8	-89.1	0	0	0	0	112.6	V940 F1012 Q1013 A1019 Y1020 F1071 I1075	V940-C1016 HydrophobicContact CG2-CB 4.29Å; V940-C1016 WeakPolarHBondContact CG2-O 3.35Å; F1012-C1016 VanDerWaalsContact CZ-SG 3.54Å; F1012-C1016 VanDerWaalsContact O-CB 3.27Å; F1012-C1016 WeakPolarHBondContact O-CB 3.23Å; F1012-C1016 PolarHBondContact O-N 3.13Å; F1012-C1016 PolarHBondContact O-SG 3.25Å; Q1013-C1016 WeakPolarHBondContact O-CB 3.45Å; Q1013-C1016 PolarHBondContact O-N 3.32Å; C1016-A1019 PolarHBondContact O-N 2.83Å; C1016-Y1020 VanDerWaalsContact O-CB 3.26Å; C1016-Y1020 WeakPolarHBondContact O-CB 3.33Å; C1016-Y1020 PolarHBondContact O-N 2.83Å; C1016-F1071 HydrophobicContact CB-CD1 4.41Å; C1016-F1071 HydrophobicContact CB-CE1 3.77Å; C1016-I1075 HydrophobicContact CB-CD1 4.06Å
1017	V	97.4	Very high	95.1	Very high	12 Å²	12	39.3 Å²	39.3	7%	0.073	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-46.2	179.6	168	0	0	0	0	111	Q1013 D1014 V1015 A1019 Y1020 L1021 K1068 L1072	Q1013-V1017 WeakPolarHBondContact O-CG2 3.27Å; Q1013-V1017 PolarHBondContact O-N 3.5Å; D1014-V1017 PolarHBondContact O-N 3.02Å; V1015-V1017 PolarHBondContact O-N 3.11Å; V1017-A1019 PolarHBondContact O-N 3.34Å; V1017-Y1020 PolarHBondContact O-N 3.4Å; V1017-L1021 HydrophobicContact CG1-CD1 3.9Å; V1017-L1021 HydrophobicContact CG1-CG 4.32Å; V1017-L1021 WeakPolarHBondContact O-CB 3.44Å; V1017-L1021 VanDerWaalsContact O-CG 3.31Å; V1017-L1021 WeakPolarHBondContact O-CG 3.39Å; V1017-L1021 PolarHBondContact O-N 3.01Å; V1017-K1068 HydrophobicContact CG1-CB 4.26Å; V1017-K1068 HydrophobicContact CG1-CD 4Å; V1017-K1068 HydrophobicContact CG1-CG 3.73Å; V1017-K1068 HydrophobicContact CG2-CG 4.25Å; V1017-L1072 HydrophobicContact CG2-CD2 3.76Å; V1017-L1072 HydrophobicContact CG2-CG 3.95Å
1018	K	96.9	Very high	95.1	Very high	92 Å²	92	35.3 Å²	35.3	40%	0.4	17%	0.168	S	C	.	.	H	α-helix	trans	-60	-47.4	178	-76.2	173.4	176.8	164.1	0	111.8	L863 D1014 V1015 Y1020 L1021 A1022	L863-K1018 HydrophobicContact CD1-CB 3.9Å; L863-K1018 HydrophobicContact CD2-CB 4.4Å; L863-K1018 HydrophobicContact CD2-CD 4.34Å; D1014-K1018 WeakPolarHBondContact O-CB 3.46Å; D1014-K1018 WeakPolarHBondContact O-CG 3.39Å; D1014-K1018 PolarHBondContact O-N 3.31Å; D1014-K1018 VanDerWaalsContact OD1-CE 3.28Å; D1014-K1018 WeakPolarHBondContact OD1-CE 3.29Å; D1014-K1018 IonicContact OD1-NZ 2.72Å; D1014-K1018 PolarHBondContact OD1-NZ 3.35Å; D1014-K1018 WeakPolarHBondContact OD2-CE 3.49Å; D1014-K1018 IonicContact OD2-NZ 3.69Å; D1014-K1018 PolarHBondContact OD2-NZ 3.38Å; V1015-K1018 PolarHBondContact O-N 2.92Å; K1018-Y1020 PolarHBondContact O-N 3.39Å; K1018-L1021 PolarHBondContact O-N 2.88Å; K1018-A1022 WeakPolarHBondContact O-CB 3.31Å; K1018-A1022 PolarHBondContact O-N 2.93Å
1019	A	97.6	Very high	95	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.7	-44.8	177.4	0	0	0	0	0	112.5	W858 L865 V940 V1015 C1016 V1017 A1022 L1023	W858-A1019 HydrophobicContact CZ2-CB 4.22Å; W858-A1019 PolarHBondContact NE1-O 2.96Å; L865-A1019 HydrophobicContact CD1-CB 3.32Å; L865-A1019 HydrophobicContact CD2-CB 4.47Å; L865-A1019 HydrophobicContact CG-CB 4.48Å; V940-A1019 HydrophobicContact CB-CB 4.44Å; V940-A1019 HydrophobicContact CG1-CB 4.29Å; V940-A1019 HydrophobicContact CG2-CB 4.05Å; V1015-A1019 VanDerWaalsContact O-CB 3.23Å; V1015-A1019 WeakPolarHBondContact O-CB 3.4Å; V1015-A1019 PolarHBondContact O-N 3.16Å; C1016-A1019 PolarHBondContact O-N 2.83Å; V1017-A1019 PolarHBondContact O-N 3.34Å; A1019-A1022 PolarHBondContact O-N 3.48Å; A1019-L1023 WeakPolarHBondContact O-CG 3.08Å; A1019-L1023 PolarHBondContact O-N 2.93Å; A1019-L1023 VanDerWaalsContact O-N 3.12Å
1020	Y	97.9	Very high	94.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-46.7	178.2	174.6	-113.1	0	0	0	111.8	F943 V944 C1016 V1017 K1018 L1023 R1024 A1057 L1058 T1059 A1067 F1071	F943-Y1020 HydrophobicContact CD1-CE2 4.44Å; F943-Y1020 HydrophobicContact CE1-CE2 4.09Å; V944-Y1020 HydrophobicContact CG2-CD2 4.24Å; V944-Y1020 HydrophobicContact CG2-CE2 4.41Å; C1016-Y1020 VanDerWaalsContact O-CB 3.26Å; C1016-Y1020 WeakPolarHBondContact O-CB 3.33Å; C1016-Y1020 PolarHBondContact O-N 2.83Å; V1017-Y1020 PolarHBondContact O-N 3.4Å; K1018-Y1020 PolarHBondContact O-N 3.39Å; Y1020-L1023 PolarHBondContact O-N 3.3Å; Y1020-R1024 VanDerWaalsContact CE1-CD 3.48Å; Y1020-R1024 HydrophobicContact CE1-CG 4.35Å; Y1020-R1024 HydrophobicContact CE2-CG 4.3Å; Y1020-R1024 WeakPolarHBondContact O-CG 3.37Å; Y1020-R1024 PolarHBondContact O-N 3.38Å; Y1020-A1057 VanDerWaalsContact CE2-O 3.28Å; Y1020-A1057 WeakPolarHBondContact CE2-O 3.16Å; Y1020-A1057 PolarHBondContact OH-O 3.41Å; Y1020-L1058 HydrophobicContact CE2-CD2 4.2Å; Y1020-L1058 VanDerWaalsContact OH-C 3.26Å; Y1020-L1058 WeakPolarHBondContact OH-CA 3.46Å; Y1020-T1059 PolarHBondContact OH-OG1 2.73Å; Y1020-T1059 VanDerWaalsContact OH-OG1 3.1Å; Y1020-A1067 HydrophobicContact CE1-CB 4.07Å; Y1020-A1067 WeakPolarHBondContact CE1-O 3.46Å; Y1020-F1071 HydrophobicContact CD1-CB 3.71Å; Y1020-F1071 AromaticContact CD1-CD2 3.91Å; Y1020-F1071 HydrophobicContact CD1-CD2 3.91Å; Y1020-F1071 AromaticContact CD1-CG 3.88Å; Y1020-F1071 HydrophobicContact CD1-CG 3.88Å; Y1020-F1071 AromaticContact CD2-CD2 3.55Å; Y1020-F1071 HydrophobicContact CD2-CD2 3.55Å; Y1020-F1071 AromaticContact CD2-CE2 3.87Å; Y1020-F1071 HydrophobicContact CD2-CE2 3.87Å; Y1020-F1071 HydrophobicContact CD2-CG 4.32Å; Y1020-F1071 HydrophobicContact CE1-CB 3.85Å; Y1020-F1071 HydrophobicContact CE1-CD2 4.2Å; Y1020-F1071 HydrophobicContact CE1-CG 4.32Å; Y1020-F1071 AromaticContact CE2-CD2 3.89Å; Y1020-F1071 HydrophobicContact CE2-CD2 3.89Å; Y1020-F1071 HydrophobicContact CE2-CE2 4.45Å; Y1020-F1071 HydrophobicContact CG-CB 4.24Å; Y1020-F1071 AromaticContact CG-CD2 3.57Å; Y1020-F1071 HydrophobicContact CG-CD2 3.57Å; Y1020-F1071 HydrophobicContact CG-CE2 4.09Å; Y1020-F1071 AromaticContact CG-CG 3.88Å; Y1020-F1071 HydrophobicContact CG-CG 3.88Å
1021	L	96.8	Very high	94.6	Very high	29 Å²	29	28.5 Å²	28.5	15%	0.152	14%	0.137	C	C	.	.	H	α-helix	trans	-64.2	-40.4	177.8	-68.3	178.6	0	0	0	112.1	V1017 K1018 L1023 R1024 H1025 E1064 A1067	V1017-L1021 HydrophobicContact CG1-CD1 3.9Å; V1017-L1021 HydrophobicContact CG1-CG 4.32Å; V1017-L1021 WeakPolarHBondContact O-CB 3.44Å; V1017-L1021 VanDerWaalsContact O-CG 3.31Å; V1017-L1021 WeakPolarHBondContact O-CG 3.39Å; V1017-L1021 PolarHBondContact O-N 3.01Å; K1018-L1021 PolarHBondContact O-N 2.88Å; L1021-L1023 PolarHBondContact O-N 3.28Å; L1021-R1024 WeakPolarHBondContact O-CA 3.23Å; L1021-R1024 WeakPolarHBondContact O-CB 3.19Å; L1021-R1024 PolarHBondContact O-N 3.23Å; L1021-H1025 PolarHBondContact O-N 2.98Å; L1021-H1025 PolarHBondContact O-ND1 2.78Å; L1021-E1064 HydrophobicContact CD2-CB 4.4Å; L1021-A1067 HydrophobicContact CD2-CB 4.37Å
1022	A	96.3	Very high	94.3	Very high	4 Å²	4	24.8 Å²	24.8	3%	0.033	12%	0.121	C	C	.	.	H	α-helix	trans	-57.2	-46.7	174	0	0	0	0	0	111.5	E861 K1018 A1019 R1024 H1025 H1026	E861-A1022 HydrophobicContact CB-CB 4.44Å; E861-A1022 HydrophobicContact CG-CB 3.98Å; K1018-A1022 WeakPolarHBondContact O-CB 3.31Å; K1018-A1022 PolarHBondContact O-N 2.93Å; A1019-A1022 PolarHBondContact O-N 3.48Å; A1022-R1024 VanDerWaalsContact C-N 3.28Å; A1022-R1024 PolarHBondContact O-N 2.96Å; A1022-H1025 PolarHBondContact O-N 2.76Å; A1022-H1026 PolarHBondContact O-CD2 3.41Å
1023	L	95.9	Very high	93.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62	-36	174.9	-66.4	-172.9	0	0	0	112.5	M854 I857 W858 V940 V944 A1019 Y1020 L1021 H1025 H1026 T1027 L1030 L1058	M854-L1023 HydrophobicContact CB-CD2 4.03Å; M854-L1023 HydrophobicContact CE-CD1 3.86Å; M854-L1023 HydrophobicContact CG-CD1 4.25Å; M854-L1023 HydrophobicContact CG-CD2 3.77Å; M854-L1023 HydrophobicContact SD-CD1 3.88Å; M854-L1023 HydrophobicContact SD-CD2 4.49Å; I857-L1023 HydrophobicContact CB-CD2 4.42Å; I857-L1023 HydrophobicContact CD1-CD2 4.19Å; I857-L1023 HydrophobicContact CG2-CD2 4.17Å; W858-L1023 HydrophobicContact CZ2-CD1 3.79Å; W858-L1023 HydrophobicContact CZ2-CD2 4.15Å; W858-L1023 HydrophobicContact CZ2-CG 4Å; V940-L1023 HydrophobicContact CG1-CD1 3.85Å; V944-L1023 HydrophobicContact CB-CD1 4.5Å; V944-L1023 HydrophobicContact CG2-CD1 4.1Å; A1019-L1023 WeakPolarHBondContact O-CG 3.08Å; A1019-L1023 PolarHBondContact O-N 2.93Å; A1019-L1023 VanDerWaalsContact O-N 3.12Å; Y1020-L1023 PolarHBondContact O-N 3.3Å; L1021-L1023 PolarHBondContact O-N 3.28Å; L1023-H1025 VanDerWaalsContact C-N 3.34Å; L1023-H1025 PolarHBondContact O-N 2.67Å; L1023-H1026 CarbonylContact O-C 3.59Å; L1023-H1026 WeakPolarHBondContact O-CA 3.46Å; L1023-H1026 PolarHBondContact O-N 3.38Å; L1023-T1027 PolarHBondContact O-N 2.68Å; L1023-L1030 HydrophobicContact CB-CD1 4.08Å; L1023-L1030 HydrophobicContact CD2-CD1 4.44Å; L1023-L1058 HydrophobicContact CB-CD2 4.25Å
1024	R	94.4	Very high	93.1	Very high	30 Å²	30	23.5 Å²	23.5	11%	0.113	12%	0.115	C	C	.	.	H	α-helix	trans	-64.6	-35.1	176.5	-69.5	178.6	74	-112.2	2.5	112.9	Y1020 L1021 A1022 H1026 T1027 L1058 T1059 K1062	Y1020-R1024 VanDerWaalsContact CE1-CD 3.48Å; Y1020-R1024 HydrophobicContact CE1-CG 4.35Å; Y1020-R1024 HydrophobicContact CE2-CG 4.3Å; Y1020-R1024 WeakPolarHBondContact O-CG 3.37Å; Y1020-R1024 PolarHBondContact O-N 3.38Å; L1021-R1024 WeakPolarHBondContact O-CA 3.23Å; L1021-R1024 WeakPolarHBondContact O-CB 3.19Å; L1021-R1024 PolarHBondContact O-N 3.23Å; A1022-R1024 VanDerWaalsContact C-N 3.28Å; A1022-R1024 PolarHBondContact O-N 2.96Å; R1024-H1026 PolarHBondContact O-N 2.8Å; R1024-T1027 WeakPolarHBondContact CA-OG1 3.19Å; R1024-T1027 WeakPolarHBondContact O-CB 3.15Å; R1024-T1027 PolarHBondContact O-N 3.17Å; R1024-T1027 VanDerWaalsContact O-N 3.15Å; R1024-T1027 PolarHBondContact O-OG1 3.36Å; R1024-L1058 WeakPolarHBondContact CD-O 3.4Å; R1024-L1058 HydrophobicContact CG-CB 4.18Å; R1024-L1058 HydrophobicContact CG-CD2 3.73Å; R1024-L1058 PolarHBondContact NE-O 3.15Å; R1024-T1059 PolarHBondContact NE-OG1 3.31Å; R1024-T1059 PolarHBondContact NH2-O 3.03Å; R1024-K1062 PolarHBondContact NH2-O 3.22Å; R1024-K1062 VanDerWaalsContact NH2-O 3.11Å
1025	H	92.4	Very high	92.4	Very high	101 Å²	101	21 Å²	21	47%	0.468	10%	0.102	S	C	.	.	H	α-helix	trans	-61.5	-22.4	173.5	-62.6	146.7	0	0	0	112.6	L1021 A1022 L1023 E1064	L1021-H1025 PolarHBondContact O-N 2.98Å; L1021-H1025 PolarHBondContact O-ND1 2.78Å; A1022-H1025 PolarHBondContact O-N 2.76Å; L1023-H1025 VanDerWaalsContact C-N 3.34Å; L1023-H1025 PolarHBondContact O-N 2.67Å; H1025-E1064 IonicContact CD2-OE1 3.88Å; H1025-E1064 IonicContact CE1-OE1 2.73Å; H1025-E1064 IonicContact NE2-OE1 3.28Å; H1025-E1064 PolarHBondContact NE2-OE1 2.81Å
1026	H	92.4	Very high	91.6	Very high	63 Å²	63	20.9 Å²	20.9	29%	0.292	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	23.7	178.1	-66.1	-93.6	0	0	0	113.5	I857 A1022 L1023 R1024 N1028 L1029 L1030	I857-H1026 HydrophobicContact CD1-CB 3.84Å; I857-H1026 HydrophobicContact CG1-CB 4.36Å; I857-H1026 HydrophobicContact CG2-CB 4.43Å; I857-H1026 VanDerWaalsContact CG2-CD2 3.43Å; I857-H1026 WeakPolarHBondContact CG2-CD2 3.33Å; A1022-H1026 PolarHBondContact O-CD2 3.41Å; L1023-H1026 CarbonylContact O-C 3.59Å; L1023-H1026 WeakPolarHBondContact O-CA 3.46Å; L1023-H1026 PolarHBondContact O-N 3.38Å; R1024-H1026 PolarHBondContact O-N 2.8Å; H1026-N1028 VanDerWaalsContact C-N 3.32Å; H1026-N1028 PolarHBondContact O-N 2.88Å; H1026-L1029 WeakPolarHBondContact O-CB 3.49Å; H1026-L1029 PolarHBondContact O-N 2.94Å; H1026-L1030 PolarHBondContact O-N 2.68Å
1027	T	90.5	Very high	90.5	Very high	15 Å²	15	21 Å²	21	9%	0.092	10%	0.102	C	C	.	.	H	α-helix	trans	-53.3	-43.9	-175.8	-62.4	0	0	0	0	113.5	L1023 R1024 L1029 L1030 I1031 L1058 V1060	L1023-T1027 PolarHBondContact O-N 2.68Å; R1024-T1027 WeakPolarHBondContact CA-OG1 3.19Å; R1024-T1027 WeakPolarHBondContact O-CB 3.15Å; R1024-T1027 PolarHBondContact O-N 3.17Å; R1024-T1027 VanDerWaalsContact O-N 3.15Å; R1024-T1027 PolarHBondContact O-OG1 3.36Å; T1027-L1029 VanDerWaalsContact C-N 3.27Å; T1027-L1029 PolarHBondContact O-N 3.11Å; T1027-L1030 PolarHBondContact O-N 2.94Å; T1027-I1031 HydrophobicContact CG2-CD1 3.53Å; T1027-I1031 HydrophobicContact CG2-CG1 4.03Å; T1027-I1031 WeakPolarHBondContact O-CB 3.36Å; T1027-I1031 WeakPolarHBondContact O-CG1 3.49Å; T1027-I1031 PolarHBondContact O-N 3.03Å; T1027-L1058 HydrophobicContact CG2-CD1 3.82Å; T1027-V1060 HydrophobicContact CG2-CG2 3.55Å
1028	N	89.8	Confident	89.2	Confident	64 Å²	64	20.7 Å²	20.7	34%	0.342	10%	0.1	S	C	.	.	H	α-helix	trans	-62	-35.9	-178.4	-72.4	4.2	0	0	0	112.5	P566 H1026 I1032	P566-N1028 HydrophobicContact CG-CB 4.41Å; H1026-N1028 VanDerWaalsContact C-N 3.32Å; H1026-N1028 PolarHBondContact O-N 2.88Å; N1028-I1032 WeakPolarHBondContact O-CG2 3.11Å; N1028-I1032 PolarHBondContact O-N 3.37Å; N1028-I1032 VanDerWaalsContact O-N 3.1Å
1029	L	91.1	Very high	87.9	Confident	14 Å²	14	17.1 Å²	17.1	7%	0.073	9%	0.085	C	C	.	.	H	α-helix	trans	-67	-48.2	175.9	175.7	63.2	0	0	0	110.4	V627 Y662 I853 I857 H1026 T1027 I1031 I1032 L1033	V627-L1029 HydrophobicContact CB-CD1 4.45Å; V627-L1029 HydrophobicContact CG1-CD1 4.24Å; Y662-L1029 HydrophobicContact CE1-CD1 4.15Å; Y662-L1029 HydrophobicContact CE1-CD2 4.45Å; I853-L1029 HydrophobicContact CG2-CD2 4.32Å; I857-L1029 HydrophobicContact CD1-CD2 4.39Å; H1026-L1029 WeakPolarHBondContact O-CB 3.49Å; H1026-L1029 PolarHBondContact O-N 2.94Å; T1027-L1029 VanDerWaalsContact C-N 3.27Å; T1027-L1029 PolarHBondContact O-N 3.11Å; L1029-I1031 PolarHBondContact O-N 3.02Å; L1029-I1032 VanDerWaalsContact O-CG2 3.23Å; L1029-I1032 WeakPolarHBondContact O-CG2 3.38Å; L1029-I1032 PolarHBondContact O-N 2.72Å; L1029-L1033 HydrophobicContact CD1-CD1 3.86Å; L1029-L1033 HydrophobicContact CD1-CD2 4.35Å; L1029-L1033 HydrophobicContact CD1-CG 3.97Å; L1029-L1033 HydrophobicContact CG-CD1 3.85Å; L1029-L1033 HydrophobicContact CG-CG 4.37Å; L1029-L1033 WeakPolarHBondContact O-CB 3.36Å; L1029-L1033 WeakPolarHBondContact O-CG 3.41Å; L1029-L1033 PolarHBondContact O-N 2.89Å
1030	L	90.5	Very high	86.4	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-46.6	178.6	-65	175.2	0	0	0	111.2	M854 V944 L1023 H1026 T1027 I1032 L1033 F1034 L1058	M854-L1030 HydrophobicContact CE-CD2 4.35Å; V944-L1030 HydrophobicContact CG1-CD1 4.43Å; L1023-L1030 HydrophobicContact CB-CD1 4.08Å; L1023-L1030 HydrophobicContact CD2-CD1 4.44Å; H1026-L1030 PolarHBondContact O-N 2.68Å; T1027-L1030 PolarHBondContact O-N 2.94Å; L1030-I1032 PolarHBondContact O-N 2.84Å; L1030-L1033 PolarHBondContact O-N 3.13Å; L1030-F1034 VanDerWaalsContact O-CD2 3.28Å; L1030-F1034 WeakPolarHBondContact O-CD2 3.24Å; L1030-F1034 PolarHBondContact O-N 3.32Å; L1030-F1034 VanDerWaalsContact O-N 3.07Å; L1030-L1058 HydrophobicContact CD1-CD1 4.01Å
1031	I	88.4	Confident	84.7	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-56.2	-47.6	177.4	-75.5	176.9	0	0	0	111.6	D565 P566 L567 T1027 L1029 F1034 S1035 I1051 I1054	D565-I1031 HydrophobicContact CB-CD1 4.26Å; P566-I1031 HydrophobicContact CB-CG2 4.26Å; P566-I1031 HydrophobicContact CG-CG2 4.29Å; L567-I1031 HydrophobicContact CD1-CD1 4.34Å; L567-I1031 HydrophobicContact CD1-CG2 3.87Å; L567-I1031 HydrophobicContact CD2-CG2 3.98Å; L567-I1031 HydrophobicContact CG-CG2 3.64Å; T1027-I1031 HydrophobicContact CG2-CD1 3.53Å; T1027-I1031 HydrophobicContact CG2-CG1 4.03Å; T1027-I1031 WeakPolarHBondContact O-CB 3.36Å; T1027-I1031 WeakPolarHBondContact O-CG1 3.49Å; T1027-I1031 PolarHBondContact O-N 3.03Å; L1029-I1031 PolarHBondContact O-N 3.02Å; I1031-F1034 PolarHBondContact O-N 3.21Å; I1031-S1035 WeakPolarHBondContact O-CB 3.39Å; I1031-S1035 PolarHBondContact O-N 3.06Å; I1031-S1035 PolarHBondContact O-OG 3.27Å; I1031-I1051 HydrophobicContact CG2-CG2 4.43Å; I1031-I1054 HydrophobicContact CG1-CG2 4.25Å
1032	I	88.9	Confident	83.3	Confident	1 Å²	1	17 Å²	17	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-71.3	-37.8	-177	-168.8	57	0	0	0	112.5	M631 Q632 D635 N1028 L1029 L1030 F1034 S1035 M1036	M631-I1032 HydrophobicContact CB-CG1 3.97Å; M631-I1032 HydrophobicContact CB-CG2 4.1Å; Q632-I1032 HydrophobicContact CB-CD1 4.23Å; Q632-I1032 HydrophobicContact CB-CG1 4.37Å; Q632-I1032 HydrophobicContact CG-CB 4.05Å; Q632-I1032 HydrophobicContact CG-CD1 3.64Å; Q632-I1032 HydrophobicContact CG-CG1 3.67Å; D635-I1032 HydrophobicContact CB-CD1 4.19Å; N1028-I1032 WeakPolarHBondContact O-CG2 3.11Å; N1028-I1032 PolarHBondContact O-N 3.37Å; N1028-I1032 VanDerWaalsContact O-N 3.1Å; L1029-I1032 VanDerWaalsContact O-CG2 3.23Å; L1029-I1032 WeakPolarHBondContact O-CG2 3.38Å; L1029-I1032 PolarHBondContact O-N 2.72Å; L1030-I1032 PolarHBondContact O-N 2.84Å; I1032-F1034 VanDerWaalsContact C-N 3.29Å; I1032-F1034 PolarHBondContact O-N 3.12Å; I1032-S1035 WeakPolarHBondContact CA-OG 3.42Å; I1032-S1035 WeakPolarHBondContact CD1-OG 3.37Å; I1032-S1035 PolarHBondContact O-N 3.18Å; I1032-S1035 PolarHBondContact O-OG 2.88Å; I1032-S1035 VanDerWaalsContact O-OG 3.12Å; I1032-M1036 HydrophobicContact CD1-CG 4Å; I1032-M1036 HydrophobicContact CD1-SD 4.27Å; I1032-M1036 HydrophobicContact CG1-CG 4.21Å; I1032-M1036 HydrophobicContact CG1-SD 3.94Å; I1032-M1036 WeakPolarHBondContact O-CB 3.4Å; I1032-M1036 VanDerWaalsContact O-CG 3.27Å; I1032-M1036 WeakPolarHBondContact O-CG 3.48Å; I1032-M1036 PolarHBondContact O-N 3.32Å
1033	L	87.5	Confident	81.5	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.2	-44.8	176.7	-68.2	170.7	0	0	0	109.8	Y662 Q665 I850 I853 L1029 L1030 M1037	Y662-L1033 HydrophobicContact CD1-CD2 4.05Å; Y662-L1033 HydrophobicContact CE1-CD1 4.45Å; Y662-L1033 HydrophobicContact CE1-CD2 4.44Å; Q665-L1033 HydrophobicContact CB-CD2 4.25Å; Q665-L1033 HydrophobicContact CG-CD2 3.67Å; I850-L1033 HydrophobicContact CD1-CB 3.97Å; I850-L1033 HydrophobicContact CD1-CD1 4.02Å; I853-L1033 HydrophobicContact CD1-CD1 3.74Å; I853-L1033 HydrophobicContact CG2-CD1 4.19Å; L1029-L1033 HydrophobicContact CD1-CD1 3.86Å; L1029-L1033 HydrophobicContact CD1-CD2 4.35Å; L1029-L1033 HydrophobicContact CD1-CG 3.97Å; L1029-L1033 HydrophobicContact CG-CD1 3.85Å; L1029-L1033 HydrophobicContact CG-CG 4.37Å; L1029-L1033 WeakPolarHBondContact O-CB 3.36Å; L1029-L1033 WeakPolarHBondContact O-CG 3.41Å; L1029-L1033 PolarHBondContact O-N 2.89Å; L1030-L1033 PolarHBondContact O-N 3.13Å; L1033-M1037 WeakPolarHBondContact O-CB 3.33Å; L1033-M1037 WeakPolarHBondContact O-CG 3.5Å; L1033-M1037 PolarHBondContact O-N 3.05Å
1034	F	80.6	Confident	79.7	Confident	1 Å²	1	20.6 Å²	20.6	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-71.3	-39.7	177.5	-82.4	-77.2	0	0	0	113.6	I850 L945 L972 L1030 I1031 I1032 M1036 M1037 L1038 I1054	I850-F1034 HydrophobicContact CB-CZ 4.32Å; I850-F1034 HydrophobicContact CD1-CE2 4.11Å; I850-F1034 HydrophobicContact CD1-CZ 4.24Å; I850-F1034 HydrophobicContact CG1-CE2 4.14Å; I850-F1034 HydrophobicContact CG1-CZ 3.8Å; I850-F1034 HydrophobicContact CG2-CE2 3.88Å; I850-F1034 HydrophobicContact CG2-CZ 3.91Å; L945-F1034 HydrophobicContact CD2-CE1 4.24Å; L945-F1034 HydrophobicContact CD2-CE2 3.34Å; L945-F1034 HydrophobicContact CD2-CZ 3.19Å; L945-F1034 HydrophobicContact CG-CZ 4.38Å; L972-F1034 HydrophobicContact CD1-CD1 4.06Å; L972-F1034 HydrophobicContact CD2-CD1 4.21Å; L972-F1034 HydrophobicContact CD2-CE1 4.27Å; L1030-F1034 VanDerWaalsContact O-CD2 3.28Å; L1030-F1034 WeakPolarHBondContact O-CD2 3.24Å; L1030-F1034 PolarHBondContact O-N 3.32Å; L1030-F1034 VanDerWaalsContact O-N 3.07Å; I1031-F1034 PolarHBondContact O-N 3.21Å; I1032-F1034 VanDerWaalsContact C-N 3.29Å; I1032-F1034 PolarHBondContact O-N 3.12Å; F1034-M1036 PolarHBondContact O-N 2.93Å; F1034-M1037 PolarHBondContact O-N 3.11Å; F1034-L1038 WeakPolarHBondContact O-CB 3.32Å; F1034-L1038 WeakPolarHBondContact O-CD1 3.12Å; F1034-L1038 PolarHBondContact O-N 2.93Å; F1034-I1054 HydrophobicContact CB-CD1 3.41Å; F1034-I1054 VanDerWaalsContact CB-CD1 3.41Å; F1034-I1054 HydrophobicContact CD1-CD1 4.04Å; F1034-I1054 HydrophobicContact CD2-CD1 3.35Å; F1034-I1054 HydrophobicContact CE2-CD1 4.17Å; F1034-I1054 HydrophobicContact CG-CD1 3.29Å
1035	S	80.1	Confident	78.2	Confident	12 Å²	12	19.1 Å²	19.1	8%	0.084	10%	0.102	C	C	.	.	H	α-helix	trans	-64.6	-41.2	179.6	72.5	0	0	0	0	111.7	I1031 I1032 M1037 L1038 M1039	I1031-S1035 WeakPolarHBondContact O-CB 3.39Å; I1031-S1035 PolarHBondContact O-N 3.06Å; I1031-S1035 PolarHBondContact O-OG 3.27Å; I1032-S1035 WeakPolarHBondContact CA-OG 3.42Å; I1032-S1035 WeakPolarHBondContact CD1-OG 3.37Å; I1032-S1035 PolarHBondContact O-N 3.18Å; I1032-S1035 PolarHBondContact O-OG 2.88Å; I1032-S1035 VanDerWaalsContact O-OG 3.12Å; S1035-M1037 VanDerWaalsContact C-N 3.3Å; S1035-M1037 PolarHBondContact O-N 2.8Å; S1035-L1038 WeakPolarHBondContact O-CB 3.47Å; S1035-L1038 PolarHBondContact O-N 3.06Å; S1035-M1039 WeakPolarHBondContact O-CE 3.44Å; S1035-M1039 WeakPolarHBondContact O-CG 3.34Å; S1035-M1039 PolarHBondContact O-N 2.93Å
1036	M	80	Confident	76.5	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62	-41.3	174.6	-70.2	177.2	75.7	0	0	111.4	M631 D635 A669 F672 I1032 F1034 M1039 T1040	M631-M1036 HydrophobicContact CB-SD 3.91Å; M631-M1036 HydrophobicContact CE-CE 3.75Å; M631-M1036 HydrophobicContact CE-SD 3.77Å; D635-M1036 HydrophobicContact CB-CG 4.04Å; A669-M1036 HydrophobicContact CB-CE 3.36Å; F672-M1036 HydrophobicContact CE2-CB 4.42Å; F672-M1036 HydrophobicContact CE2-CE 4.37Å; F672-M1036 HydrophobicContact CE2-CG 4.47Å; I1032-M1036 HydrophobicContact CD1-CG 4Å; I1032-M1036 HydrophobicContact CD1-SD 4.27Å; I1032-M1036 HydrophobicContact CG1-CG 4.21Å; I1032-M1036 HydrophobicContact CG1-SD 3.94Å; I1032-M1036 WeakPolarHBondContact O-CB 3.4Å; I1032-M1036 VanDerWaalsContact O-CG 3.27Å; I1032-M1036 WeakPolarHBondContact O-CG 3.48Å; I1032-M1036 PolarHBondContact O-N 3.32Å; F1034-M1036 PolarHBondContact O-N 2.93Å; M1036-M1039 PolarHBondContact O-N 3.32Å; M1036-T1040 WeakPolarHBondContact O-CG2 3.47Å
1037	M	75.5	Confident	75.2	Confident	3 Å²	3	15.3 Å²	15.3	2%	0.015	9%	0.092	C	C	.	.	H	α-helix	trans	-68.6	-40.7	179.6	-73.3	-59.8	88.2	0	0	113.4	Q665 Q668 L846 L1033 F1034 S1035 M1039 T1040 M1042 L1045	Q665-M1037 HydrophobicContact CB-CE 4.37Å; Q665-M1037 HydrophobicContact CG-CE 4Å; Q665-M1037 HydrophobicContact CG-CG 4.29Å; Q665-M1037 HydrophobicContact CG-SD 4.17Å; Q668-M1037 HydrophobicContact CB-CE 3.33Å; Q668-M1037 HydrophobicContact CG-CE 3.48Å; Q668-M1037 VanDerWaalsContact CG-CE 3.48Å; Q668-M1037 HydrophobicContact CG-SD 4.26Å; L846-M1037 HydrophobicContact CD1-CG 3.55Å; L846-M1037 HydrophobicContact CD1-SD 3.71Å; L846-M1037 HydrophobicContact CD2-CB 3.64Å; L846-M1037 HydrophobicContact CD2-CG 3.56Å; L846-M1037 HydrophobicContact CD2-SD 4.06Å; L846-M1037 HydrophobicContact CG-CG 4.22Å; L846-M1037 HydrophobicContact CG-SD 4.43Å; L1033-M1037 WeakPolarHBondContact O-CB 3.33Å; L1033-M1037 WeakPolarHBondContact O-CG 3.5Å; L1033-M1037 PolarHBondContact O-N 3.05Å; F1034-M1037 PolarHBondContact O-N 3.11Å; S1035-M1037 VanDerWaalsContact C-N 3.3Å; S1035-M1037 PolarHBondContact O-N 2.8Å; M1037-M1039 PolarHBondContact O-N 3.07Å; M1037-T1040 HydrophobicContact CE-CG2 4.17Å; M1037-T1040 PolarHBondContact O-N 2.86Å; M1037-T1040 PolarHBondContact O-OG1 3.17Å; M1037-M1042 HydrophobicContact CB-CE 3.54Å; M1037-M1042 HydrophobicContact CG-CE 4.15Å; M1037-M1042 WeakPolarHBondContact O-CE 3.37Å; M1037-M1042 HydrophobicContact SD-CE 4.01Å; M1037-L1045 HydrophobicContact CB-CD1 4.46Å
1038	L	70.4	Confident	74.1	Confident	5 Å²	5	19.8 Å²	19.8	3%	0.026	11%	0.11	C	C	.	.	H	α-helix	trans	-53.4	-36.3	171.7	-92.1	152.8	0	0	0	112.7	S499 L972 F1034 S1035 T1040 L1045 D1050 I1051	S499-L1038 WeakPolarHBondContact CB-O 3.33Å; S499-L1038 PolarHBondContact OG-O 2.65Å; L972-L1038 HydrophobicContact CD1-CD1 4.38Å; F1034-L1038 WeakPolarHBondContact O-CB 3.32Å; F1034-L1038 WeakPolarHBondContact O-CD1 3.12Å; F1034-L1038 PolarHBondContact O-N 2.93Å; S1035-L1038 WeakPolarHBondContact O-CB 3.47Å; S1035-L1038 PolarHBondContact O-N 3.06Å; L1038-T1040 PolarHBondContact O-N 3.2Å; L1038-L1045 HydrophobicContact CB-CB 4.43Å; L1038-L1045 HydrophobicContact CD2-CB 3.36Å; L1038-L1045 HydrophobicContact CD2-CD2 3.91Å; L1038-L1045 HydrophobicContact CD2-CG 4.19Å; L1038-L1045 HydrophobicContact CG-CB 3.71Å; L1038-L1045 HydrophobicContact CG-CD1 4.43Å; L1038-L1045 HydrophobicContact CG-CD2 3.92Å; L1038-L1045 HydrophobicContact CG-CG 4.23Å; L1038-D1050 HydrophobicContact CD1-CB 4.44Å; L1038-D1050 HydrophobicContact CD2-CB 3.93Å; L1038-I1051 HydrophobicContact CD1-CB 4.2Å; L1038-I1051 HydrophobicContact CD1-CD1 3.73Å; L1038-I1051 HydrophobicContact CD1-CG1 3.01Å; L1038-I1051 HydrophobicContact CG-CG1 4.42Å
1039	M	68.3	Low	73	Confident	17 Å²	17	22.7 Å²	22.7	8%	0.084	12%	0.122	C	C	.	.	H	α-helix	trans	-76.3	-16.2	-177.2	-65.9	-176.8	-69.6	0	0	112.4	N501 A502 D635 C636 F672 S1035 M1036 M1037 G1041	N501-M1039 HydrophobicContact CB-CB 4.29Å; N501-M1039 HydrophobicContact CB-CG 4.15Å; A502-M1039 WeakPolarHBondContact CA-O 3.42Å; A502-M1039 HydrophobicContact CB-CB 4.47Å; A502-M1039 WeakPolarHBondContact CB-O 3.49Å; A502-M1039 PolarHBondContact N-O 3.15Å; D635-M1039 HydrophobicContact CB-CE 4.17Å; C636-M1039 HydrophobicContact CB-CE 4.14Å; C636-M1039 HydrophobicContact CB-SD 3.8Å; C636-M1039 PolarHBondContact SG-SD 3.2Å; F672-M1039 HydrophobicContact CE1-CB 3.73Å; F672-M1039 HydrophobicContact CE1-CE 4.24Å; F672-M1039 HydrophobicContact CE1-SD 4.38Å; F672-M1039 HydrophobicContact CE2-CE 4.19Å; F672-M1039 HydrophobicContact CZ-CB 3.6Å; F672-M1039 HydrophobicContact CZ-CE 3.76Å; F672-M1039 HydrophobicContact CZ-SD 4.41Å; S1035-M1039 WeakPolarHBondContact O-CE 3.44Å; S1035-M1039 WeakPolarHBondContact O-CG 3.34Å; S1035-M1039 PolarHBondContact O-N 2.93Å; M1036-M1039 PolarHBondContact O-N 3.32Å; M1037-M1039 PolarHBondContact O-N 3.07Å; M1039-G1041 PolarHBondContact O-N 3.47Å
1040	T	67.5	Low	72	Confident	4 Å²	4	22.6 Å²	22.6	3%	0.025	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	13.2	-164.4	61.9	0	0	0	0	116.6	Q668 K671 F672 M1036 M1037 L1038	Q668-T1040 HydrophobicContact CB-CG2 3.68Å; Q668-T1040 HydrophobicContact CG-CG2 4.28Å; Q668-T1040 VanDerWaalsContact OE1-CB 3.3Å; K671-T1040 HydrophobicContact CD-CG2 4.23Å; K671-T1040 PolarHBondContact NZ-O 3.05Å; K671-T1040 VanDerWaalsContact NZ-O 3.15Å; F672-T1040 HydrophobicContact CZ-CG2 4.07Å; M1036-T1040 WeakPolarHBondContact O-CG2 3.47Å; M1037-T1040 HydrophobicContact CE-CG2 4.17Å; M1037-T1040 PolarHBondContact O-N 2.86Å; M1037-T1040 PolarHBondContact O-OG1 3.17Å; L1038-T1040 PolarHBondContact O-N 3.2Å
1041	G	62.4	Low	71.2	Confident	15 Å²	15	23.3 Å²	23.3	16%	0.155	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	24.7	173	0	0	0	0	0	115.3	S499 M1039	S499-G1041 VanDerWaalsContact O-CA 3.22Å; S499-G1041 WeakPolarHBondContact O-CA 3.49Å; S499-G1041 PolarHBondContact O-N 3.22Å; M1039-G1041 PolarHBondContact O-N 3.47Å
1042	M	66.4	Low	70.8	Confident	7 Å²	7	26.4 Å²	26.4	3%	0.034	14%	0.139	C	C	.	.			trans	-77.1	135.9	175.6	-83.5	-170.4	-75.5	0	0	112.3	G498 Q843 L846 M1037 Q1044 L1045	G498-M1042 WeakPolarHBondContact CA-O 3.45Å; Q843-M1042 HydrophobicContact CB-SD 4.43Å; L846-M1042 HydrophobicContact CB-CE 4.45Å; L846-M1042 HydrophobicContact CB-SD 4.19Å; L846-M1042 HydrophobicContact CD2-CE 3.2Å; L846-M1042 HydrophobicContact CD2-SD 3.84Å; L846-M1042 HydrophobicContact CG-CE 4.38Å; M1037-M1042 HydrophobicContact CB-CE 3.54Å; M1037-M1042 HydrophobicContact CG-CE 4.15Å; M1037-M1042 WeakPolarHBondContact O-CE 3.37Å; M1037-M1042 HydrophobicContact SD-CE 4.01Å; M1042-Q1044 PolarHBondContact O-N 3.02Å; M1042-L1045 HydrophobicContact CB-CB 4.31Å; M1042-L1045 HydrophobicContact CB-CD1 4.16Å; M1042-L1045 HydrophobicContact CE-CD1 3.47Å; M1042-L1045 VanDerWaalsContact CE-CD1 3.47Å; M1042-L1045 PolarHBondContact O-N 3.15Å; M1042-L1045 HydrophobicContact SD-CD1 4.26Å
1043	P	57.6	Low	70.6	Confident	39 Å²	39	28.8 Å²	28.8	25%	0.253	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-14.9	-167.7	-27.1	35	0	0	0	117.8	Q497	Q497-P1043 CarbonylContact O-C 3.56Å
1044	Q	60	Low	70.5	Confident	41 Å²	41	28.8 Å²	28.8	19%	0.192	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	10.4	-175.5	-60.7	-156.9	13.2	0	0	114.2	G969 H970 N974 M1042	G969-Q1044 PolarHBondContact O-NE2 3.4Å; G969-Q1044 PolarHBondContact O-OE1 3.23Å; H970-Q1044 VanDerWaalsContact CA-OE1 3.24Å; H970-Q1044 PolarHBondContact CE1-NE2 3Å; H970-Q1044 VanDerWaalsContact CE1-NE2 3.34Å; H970-Q1044 PolarHBondContact ND1-NE2 3.21Å; H970-Q1044 PolarHBondContact ND1-OE1 3.45Å; N974-Q1044 PolarHBondContact ND2-O 3.45Å; M1042-Q1044 PolarHBondContact O-N 3.02Å
1045	L	62.4	Low	70.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.			trans	-118.1	98.3	176.5	-73.7	177	0	0	0	104.9	S499 L846 I971 L972 M1037 L1038 M1042	S499-L1045 WeakPolarHBondContact CB-O 3.35Å; S499-L1045 PolarHBondContact N-O 3.07Å; L846-L1045 HydrophobicContact CD2-CD1 4.25Å; I971-L1045 HydrophobicContact CD1-CD1 3.88Å; I971-L1045 HydrophobicContact CD1-CD2 3.72Å; I971-L1045 HydrophobicContact CD1-CG 3.74Å; I971-L1045 HydrophobicContact CG1-CD2 4.07Å; I971-L1045 HydrophobicContact CG1-CG 4.35Å; L972-L1045 HydrophobicContact CB-CD2 4.37Å; L972-L1045 HydrophobicContact CD1-CD2 3.14Å; L972-L1045 HydrophobicContact CG-CD2 3.72Å; M1037-L1045 HydrophobicContact CB-CD1 4.46Å; L1038-L1045 HydrophobicContact CB-CB 4.43Å; L1038-L1045 HydrophobicContact CD2-CB 3.36Å; L1038-L1045 HydrophobicContact CD2-CD2 3.91Å; L1038-L1045 HydrophobicContact CD2-CG 4.19Å; L1038-L1045 HydrophobicContact CG-CB 3.71Å; L1038-L1045 HydrophobicContact CG-CD1 4.43Å; L1038-L1045 HydrophobicContact CG-CD2 3.92Å; L1038-L1045 HydrophobicContact CG-CG 4.23Å; M1042-L1045 HydrophobicContact CB-CB 4.31Å; M1042-L1045 HydrophobicContact CB-CD1 4.16Å; M1042-L1045 HydrophobicContact CE-CD1 3.47Å; M1042-L1045 VanDerWaalsContact CE-CD1 3.47Å; M1042-L1045 PolarHBondContact O-N 3.15Å; M1042-L1045 HydrophobicContact SD-CD1 4.26Å
1046	T	56.5	Low	71.3	Confident	48 Å²	48	36 Å²	36	29%	0.294	18%	0.182	S	C	.	.			trans	-122.4	-26.9	-161.2	67.3	0	0	0	0	114.3	Q497 D1050	Q497-T1046 HydrophobicContact CB-CG2 4.25Å; Q497-T1046 WeakPolarHBondContact O-CG2 3.46Å; T1046-D1050 PolarHBondContact N-OD2 3.4Å; T1046-D1050 PolarHBondContact OG1-OD2 3.14Å
1047	S	64.6	Low	71.8	Confident	35 Å²	35	36.2 Å²	36.2	25%	0.245	18%	0.184	C	C	.	.	S	Bend	trans	-144.8	168.2	-166.7	89.4	0	0	0	0	114	E1049 D1050	S1047-E1049 VanDerWaalsContact C-N 3.25Å; S1047-E1049 WeakPolarHBondContact CB-OE2 3.46Å; S1047-E1049 PolarHBondContact O-N 3.41Å; S1047-E1049 PolarHBondContact OG-N 3.16Å; S1047-E1049 PolarHBondContact OG-OE2 2.95Å; S1047-D1050 PolarHBondContact N-OD2 3.14Å; S1047-D1050 WeakPolarHBondContact O-CB 3.25Å; S1047-D1050 PolarHBondContact O-N 2.87Å
1048	K	66.6	Low	72.6	Confident	110 Å²	110	36.1 Å²	36.1	48%	0.478	18%	0.183	S	C	.	.	H	α-helix	trans	-68.2	-32.5	177.8	-172.6	178.4	177.6	-177.7	0	110.8	D1050 I1051 E1052	K1048-D1050 PolarHBondContact O-N 3.47Å; K1048-I1051 PolarHBondContact O-N 3.38Å; K1048-E1052 PolarHBondContact O-N 3.18Å
1049	E	67.9	Low	73.7	Confident	125 Å²	125	36.1 Å²	36.1	58%	0.584	18%	0.183	S	C	*	.	H	α-helix	trans	-60.2	-32.4	176.1	-58.8	76.4	-166.6	0	0	111.5	S1047 I1051 E1052 Y1053	S1047-E1049 VanDerWaalsContact C-N 3.25Å; S1047-E1049 WeakPolarHBondContact CB-OE2 3.46Å; S1047-E1049 PolarHBondContact O-N 3.41Å; S1047-E1049 PolarHBondContact OG-N 3.16Å; S1047-E1049 PolarHBondContact OG-OE2 2.95Å; E1049-I1051 VanDerWaalsContact C-N 3.27Å; E1049-I1051 PolarHBondContact O-N 2.96Å; E1049-E1052 WeakPolarHBondContact O-CB 3.38Å; E1049-E1052 PolarHBondContact O-N 3.31Å; E1049-E1052 VanDerWaalsContact O-N 3.15Å; E1049-Y1053 PolarHBondContact O-N 3.39Å
1050	D	69.6	Low	74.7	Confident	11 Å²	11	37.6 Å²	37.6	6%	0.059	19%	0.194	C	C	.	.	H	α-helix	trans	-62.1	-32.7	174.4	-62.9	-39.6	0	0	0	112	L972 N974 L1038 T1046 S1047 K1048 Y1053	L972-D1050 HydrophobicContact CB-CB 4.37Å; L972-D1050 HydrophobicContact CD1-CB 4.13Å; L972-D1050 WeakPolarHBondContact CD1-O 3.45Å; N974-D1050 PolarHBondContact ND2-OD1 2.91Å; L1038-D1050 HydrophobicContact CD1-CB 4.44Å; L1038-D1050 HydrophobicContact CD2-CB 3.93Å; T1046-D1050 PolarHBondContact N-OD2 3.4Å; T1046-D1050 PolarHBondContact OG1-OD2 3.14Å; S1047-D1050 PolarHBondContact N-OD2 3.14Å; S1047-D1050 WeakPolarHBondContact O-CB 3.25Å; S1047-D1050 PolarHBondContact O-N 2.87Å; K1048-D1050 PolarHBondContact O-N 3.47Å; D1050-Y1053 WeakPolarHBondContact O-CB 3.36Å
1051	I	73.4	Confident	75.7	Confident	16 Å²	16	41.4 Å²	41.4	8%	0.082	23%	0.234	C	C	.	.	H	α-helix	trans	-76.9	-33.9	175.6	-41.8	168.4	0	0	0	111.1	L567 I1031 L1038 K1048 E1049 Y1053 I1054 R1055	L567-I1051 HydrophobicContact CD1-CB 3.87Å; L567-I1051 HydrophobicContact CD1-CG2 3.34Å; L567-I1051 HydrophobicContact CD2-CB 4.33Å; L567-I1051 HydrophobicContact CD2-CD1 3.92Å; L567-I1051 HydrophobicContact CD2-CG2 3.89Å; L567-I1051 HydrophobicContact CG-CG2 4.18Å; I1031-I1051 HydrophobicContact CG2-CG2 4.43Å; L1038-I1051 HydrophobicContact CD1-CB 4.2Å; L1038-I1051 HydrophobicContact CD1-CD1 3.73Å; L1038-I1051 HydrophobicContact CD1-CG1 3.01Å; L1038-I1051 HydrophobicContact CG-CG1 4.42Å; K1048-I1051 PolarHBondContact O-N 3.38Å; E1049-I1051 VanDerWaalsContact C-N 3.27Å; E1049-I1051 PolarHBondContact O-N 2.96Å; I1051-Y1053 PolarHBondContact O-N 2.95Å; I1051-I1054 PolarHBondContact O-N 3.09Å; I1051-R1055 PolarHBondContact O-N 2.91Å
1052	E	80.3	Confident	77.1	Confident	65 Å²	65	46 Å²	46	30%	0.304	25%	0.249	S	C	.	.	H	α-helix	trans	-60	-29.3	178.9	-63.2	-164	131.7	0	0	111.4	K1048 E1049 I1054 R1055 D1056	K1048-E1052 PolarHBondContact O-N 3.18Å; E1049-E1052 WeakPolarHBondContact O-CB 3.38Å; E1049-E1052 PolarHBondContact O-N 3.31Å; E1049-E1052 VanDerWaalsContact O-N 3.15Å; E1052-I1054 VanDerWaalsContact C-N 3.3Å; E1052-I1054 PolarHBondContact O-N 3.13Å; E1052-R1055 WeakPolarHBondContact O-CB 3.31Å; E1052-R1055 PolarHBondContact O-N 3.41Å; E1052-R1055 VanDerWaalsContact O-N 3.12Å; E1052-R1055 IonicContact OE1-CZ 2.93Å; E1052-R1055 IonicContact OE1-NH1 3.62Å; E1052-R1055 IonicContact OE1-NH2 3.95Å; E1052-R1055 PolarHBondContact OE1-NH2 2.96Å; E1052-D1056 PolarHBondContact O-N 3.42Å
1053	Y	84.7	Confident	78.4	Confident	50 Å²	50	48.5 Å²	48.5	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-50.3	-47.8	170.4	-178.7	-88.8	0	0	0	112.6	F943 G946 L972 E1049 D1050 I1051 R1055 D1056 A1057	F943-Y1053 WeakPolarHBondContact O-CE1 3.49Å; F943-Y1053 PolarHBondContact O-OH 2.82Å; G946-Y1053 VanDerWaalsContact CA-CZ 3.4Å; G946-Y1053 WeakPolarHBondContact CA-OH 3.46Å; G946-Y1053 VanDerWaalsContact N-CE1 3.29Å; L972-Y1053 HydrophobicContact CD2-CD1 4.34Å; E1049-Y1053 PolarHBondContact O-N 3.39Å; D1050-Y1053 WeakPolarHBondContact O-CB 3.36Å; I1051-Y1053 PolarHBondContact O-N 2.95Å; Y1053-R1055 VanDerWaalsContact C-N 3.32Å; Y1053-R1055 PolarHBondContact O-N 3.13Å; Y1053-D1056 PolarHBondContact O-N 3.27Å; Y1053-A1057 HydrophobicContact CD1-CB 4.38Å; Y1053-A1057 HydrophobicContact CE1-CB 3.99Å; Y1053-A1057 VanDerWaalsContact O-CB 3.24Å; Y1053-A1057 WeakPolarHBondContact O-CB 3.49Å; Y1053-A1057 PolarHBondContact O-N 3.1Å
1054	I	85.8	Confident	80.1	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-39.2	-178.1	-63.4	168.4	0	0	0	110.5	L972 I1031 F1034 I1051 E1052 D1056 A1057 L1058	L972-I1054 HydrophobicContact CD1-CD1 4.37Å; L972-I1054 HydrophobicContact CD2-CD1 3.77Å; L972-I1054 HydrophobicContact CD2-CG1 3.71Å; I1031-I1054 HydrophobicContact CG1-CG2 4.25Å; F1034-I1054 HydrophobicContact CB-CD1 3.41Å; F1034-I1054 VanDerWaalsContact CB-CD1 3.41Å; F1034-I1054 HydrophobicContact CD1-CD1 4.04Å; F1034-I1054 HydrophobicContact CD2-CD1 3.35Å; F1034-I1054 HydrophobicContact CE2-CD1 4.17Å; F1034-I1054 HydrophobicContact CG-CD1 3.29Å; I1051-I1054 PolarHBondContact O-N 3.09Å; E1052-I1054 VanDerWaalsContact C-N 3.3Å; E1052-I1054 PolarHBondContact O-N 3.13Å; I1054-D1056 VanDerWaalsContact C-N 3.31Å; I1054-D1056 PolarHBondContact O-N 2.97Å; I1054-A1057 PolarHBondContact O-N 3.34Å; I1054-L1058 HydrophobicContact CG2-CD1 3.72Å; I1054-L1058 HydrophobicContact CG2-CG 4.4Å; I1054-L1058 WeakPolarHBondContact O-CB 3.41Å; I1054-L1058 WeakPolarHBondContact O-CG 3.47Å; I1054-L1058 PolarHBondContact O-N 3.13Å
1055	R	88.1	Confident	81.8	Confident	57 Å²	57	55.2 Å²	55.2	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-61.7	-42.5	177.5	-172.3	-178.3	64.9	-165.6	-10.9	111	I1051 E1052 Y1053 T1059 V1060	I1051-R1055 PolarHBondContact O-N 2.91Å; E1052-R1055 WeakPolarHBondContact O-CB 3.31Å; E1052-R1055 PolarHBondContact O-N 3.41Å; E1052-R1055 VanDerWaalsContact O-N 3.12Å; E1052-R1055 IonicContact OE1-CZ 2.93Å; E1052-R1055 IonicContact OE1-NH1 3.62Å; E1052-R1055 IonicContact OE1-NH2 3.95Å; E1052-R1055 PolarHBondContact OE1-NH2 2.96Å; Y1053-R1055 VanDerWaalsContact C-N 3.32Å; Y1053-R1055 PolarHBondContact O-N 3.13Å; R1055-T1059 PolarHBondContact O-N 2.86Å; R1055-V1060 HydrophobicContact CB-CG2 4.44Å; R1055-V1060 HydrophobicContact CG-CB 3.59Å; R1055-V1060 HydrophobicContact CG-CG1 4.16Å; R1055-V1060 HydrophobicContact CG-CG2 3.78Å; R1055-V1060 WeakPolarHBondContact O-CG2 3.36Å; R1055-V1060 PolarHBondContact O-N 3.45Å
1056	D	89.2	Confident	83.4	Confident	106 Å²	106	59.4 Å²	59.4	57%	0.567	32%	0.318	S	S	*	.	H	α-helix	trans	-71.7	-44.4	178.8	-68.9	-8.5	0	0	0	111.3	E1052 Y1053 I1054 L1058 T1059	E1052-D1056 PolarHBondContact O-N 3.42Å; Y1053-D1056 PolarHBondContact O-N 3.27Å; I1054-D1056 VanDerWaalsContact C-N 3.31Å; I1054-D1056 PolarHBondContact O-N 2.97Å; D1056-L1058 VanDerWaalsContact C-N 3.32Å; D1056-L1058 PolarHBondContact O-N 3.32Å; D1056-T1059 WeakPolarHBondContact O-CA 3.26Å; D1056-T1059 PolarHBondContact O-N 3.35Å
1057	A	90.3	Very high	85.2	Confident	6 Å²	6	57.1 Å²	57.1	5%	0.05	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-36.9	178.4	0	0	0	0	0	112.3	F943 Y1020 Y1053 I1054 T1059	F943-A1057 HydrophobicContact CE1-CB 4.26Å; F943-A1057 VanDerWaalsContact CE1-O 3.28Å; F943-A1057 WeakPolarHBondContact CE1-O 3.33Å; Y1020-A1057 VanDerWaalsContact CE2-O 3.28Å; Y1020-A1057 WeakPolarHBondContact CE2-O 3.16Å; Y1020-A1057 PolarHBondContact OH-O 3.41Å; Y1053-A1057 HydrophobicContact CD1-CB 4.38Å; Y1053-A1057 HydrophobicContact CE1-CB 3.99Å; Y1053-A1057 VanDerWaalsContact O-CB 3.24Å; Y1053-A1057 WeakPolarHBondContact O-CB 3.49Å; Y1053-A1057 PolarHBondContact O-N 3.1Å; I1054-A1057 PolarHBondContact O-N 3.34Å; A1057-T1059 VanDerWaalsContact C-N 3.27Å
1058	L	92.8	Very high	86.7	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.4	174.2	-68.6	171.7	0	0	0	113.2	V944 Y1020 L1023 R1024 T1027 L1030 I1054 D1056 V1060	V944-L1058 HydrophobicContact CG1-CD1 4.39Å; V944-L1058 HydrophobicContact CG1-CD2 3.97Å; V944-L1058 HydrophobicContact CG1-CG 4.13Å; V944-L1058 HydrophobicContact CG2-CD2 3.84Å; Y1020-L1058 HydrophobicContact CE2-CD2 4.2Å; Y1020-L1058 VanDerWaalsContact OH-C 3.26Å; Y1020-L1058 WeakPolarHBondContact OH-CA 3.46Å; L1023-L1058 HydrophobicContact CB-CD2 4.25Å; R1024-L1058 WeakPolarHBondContact CD-O 3.4Å; R1024-L1058 HydrophobicContact CG-CB 4.18Å; R1024-L1058 HydrophobicContact CG-CD2 3.73Å; R1024-L1058 PolarHBondContact NE-O 3.15Å; T1027-L1058 HydrophobicContact CG2-CD1 3.82Å; L1030-L1058 HydrophobicContact CD1-CD1 4.01Å; I1054-L1058 HydrophobicContact CG2-CD1 3.72Å; I1054-L1058 HydrophobicContact CG2-CG 4.4Å; I1054-L1058 WeakPolarHBondContact O-CB 3.41Å; I1054-L1058 WeakPolarHBondContact O-CG 3.47Å; I1054-L1058 PolarHBondContact O-N 3.13Å; D1056-L1058 VanDerWaalsContact C-N 3.32Å; D1056-L1058 PolarHBondContact O-N 3.32Å; L1058-V1060 VanDerWaalsContact C-N 3.28Å; L1058-V1060 HydrophobicContact CB-CG2 4.28Å; L1058-V1060 PolarHBondContact O-N 3.11Å
1059	T	93.3	Very high	88.1	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.031	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.3	52.5	-178.3	62.2	0	0	0	0	112.6	Y1020 R1024 R1055 D1056 A1057 K1062 A1067 H1070	Y1020-T1059 PolarHBondContact OH-OG1 2.73Å; Y1020-T1059 VanDerWaalsContact OH-OG1 3.1Å; R1024-T1059 PolarHBondContact NE-OG1 3.31Å; R1024-T1059 PolarHBondContact NH2-O 3.03Å; R1055-T1059 PolarHBondContact O-N 2.86Å; D1056-T1059 WeakPolarHBondContact O-CA 3.26Å; D1056-T1059 PolarHBondContact O-N 3.35Å; A1057-T1059 VanDerWaalsContact C-N 3.27Å; T1059-K1062 HydrophobicContact CG2-CD 4.44Å; T1059-K1062 PolarHBondContact O-N 3.15Å; T1059-A1067 WeakPolarHBondContact OG1-CB 3.44Å; T1059-H1070 HydrophobicContact CG2-CB 4.24Å; T1059-H1070 WeakPolarHBondContact CG2-CD2 3.22Å
1060	V	89.9	Confident	89.4	Confident	49 Å²	49	56.5 Å²	56.5	30%	0.297	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	140	178.3	178	0	0	0	0	109.9	D565 T1027 R1055 L1058 K1062	D565-V1060 HydrophobicContact CB-CG1 4.31Å; T1027-V1060 HydrophobicContact CG2-CG2 3.55Å; R1055-V1060 HydrophobicContact CB-CG2 4.44Å; R1055-V1060 HydrophobicContact CG-CB 3.59Å; R1055-V1060 HydrophobicContact CG-CG1 4.16Å; R1055-V1060 HydrophobicContact CG-CG2 3.78Å; R1055-V1060 WeakPolarHBondContact O-CG2 3.36Å; R1055-V1060 PolarHBondContact O-N 3.45Å; L1058-V1060 VanDerWaalsContact C-N 3.28Å; L1058-V1060 HydrophobicContact CB-CG2 4.28Å; L1058-V1060 PolarHBondContact O-N 3.11Å; V1060-K1062 VanDerWaalsContact C-N 3.27Å; V1060-K1062 PolarHBondContact O-N 3.22Å
1061	G	87.3	Confident	90.6	Very high	84 Å²	84	56 Å²	56	87%	0.866	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-8.3	-175.8	0	0	0	0	0	115
1062	K	91.8	Very high	91.7	Very high	111 Å²	111	57.6 Å²	57.6	48%	0.483	30%	0.301	S	S	.	.	S	Bend	trans	-93.9	155.2	171.5	-60	-167.1	-176.1	172.4	0	112.3	R1024 T1059 V1060 D1066	R1024-K1062 PolarHBondContact NH2-O 3.22Å; R1024-K1062 VanDerWaalsContact NH2-O 3.11Å; T1059-K1062 HydrophobicContact CG2-CD 4.44Å; T1059-K1062 PolarHBondContact O-N 3.15Å; V1060-K1062 VanDerWaalsContact C-N 3.27Å; V1060-K1062 PolarHBondContact O-N 3.22Å; K1062-D1066 HydrophobicContact CB-CB 4.17Å; K1062-D1066 HydrophobicContact CD-CB 4.47Å
1063	S	94.1	Very high	92.4	Very high	60 Å²	60	58.3 Å²	58.3	42%	0.42	31%	0.307	S	S	.	.			trans	-63.8	159.5	174	76.6	0	0	0	0	111.7	E1065 D1066 A1067	S1063-E1065 VanDerWaalsContact C-N 3.29Å; S1063-E1065 PolarHBondContact O-N 2.94Å; S1063-D1066 PolarHBondContact O-N 3.16Å; S1063-D1066 WeakPolarHBondContact OG-CB 3.35Å; S1063-D1066 PolarHBondContact OG-N 3.26Å; S1063-D1066 PolarHBondContact OG-OD2 2.72Å; S1063-A1067 WeakPolarHBondContact O-CB 3.39Å; S1063-A1067 PolarHBondContact O-N 3.06Å
1064	E	94.2	Very high	92.8	Very high	95 Å²	95	57.8 Å²	57.8	44%	0.444	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-35.7	176.5	-66.1	-167.6	167.3	0	0	113	L1021 H1025 A1067 K1068	L1021-E1064 HydrophobicContact CD2-CB 4.4Å; H1025-E1064 IonicContact CD2-OE1 3.88Å; H1025-E1064 IonicContact CE1-OE1 2.73Å; H1025-E1064 IonicContact NE2-OE1 3.28Å; H1025-E1064 PolarHBondContact NE2-OE1 2.81Å; E1064-A1067 PolarHBondContact O-N 2.95Å; E1064-K1068 VanDerWaalsContact O-CB 3.32Å; E1064-K1068 WeakPolarHBondContact O-CB 3.5Å; E1064-K1068 PolarHBondContact O-N 3.34Å
1065	E	95.2	Very high	93.2	Very high	126 Å²	126	57.7 Å²	57.7	59%	0.589	31%	0.306	S	S	*	.	H	α-helix	trans	-66.9	-41.2	177.1	-70.7	-58.8	148.3	0	0	111.8	S1063 A1067 K1068 K1069	S1063-E1065 VanDerWaalsContact C-N 3.29Å; S1063-E1065 PolarHBondContact O-N 2.94Å; E1065-A1067 VanDerWaalsContact C-N 3.34Å; E1065-K1068 PolarHBondContact O-N 3.48Å; E1065-K1069 WeakPolarHBondContact O-CB 3.41Å; E1065-K1069 PolarHBondContact O-N 2.94Å
1066	D	95.9	Very high	93.3	Very high	87 Å²	87	57.9 Å²	57.9	47%	0.465	31%	0.309	S	S	.	.	H	α-helix	trans	-66.2	-39.2	174.7	-66.5	-45.2	0	0	0	111.6	K1062 S1063 K1069 H1070	K1062-D1066 HydrophobicContact CB-CB 4.17Å; K1062-D1066 HydrophobicContact CD-CB 4.47Å; S1063-D1066 PolarHBondContact O-N 3.16Å; S1063-D1066 WeakPolarHBondContact OG-CB 3.35Å; S1063-D1066 PolarHBondContact OG-N 3.26Å; S1063-D1066 PolarHBondContact OG-OD2 2.72Å; D1066-K1069 PolarHBondContact O-N 3.34Å; D1066-H1070 VanDerWaalsContact O-CB 3.27Å; D1066-H1070 WeakPolarHBondContact O-CB 3.34Å; D1066-H1070 PolarHBondContact O-N 2.89Å
1067	A	94.7	Very high	93.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-46.1	176.9	0	0	0	0	0	111.6	Y1020 L1021 T1059 S1063 E1064 E1065 H1070 F1071	Y1020-A1067 HydrophobicContact CE1-CB 4.07Å; Y1020-A1067 WeakPolarHBondContact CE1-O 3.46Å; L1021-A1067 HydrophobicContact CD2-CB 4.37Å; T1059-A1067 WeakPolarHBondContact OG1-CB 3.44Å; S1063-A1067 WeakPolarHBondContact O-CB 3.39Å; S1063-A1067 PolarHBondContact O-N 3.06Å; E1064-A1067 PolarHBondContact O-N 2.95Å; E1065-A1067 VanDerWaalsContact C-N 3.34Å; A1067-H1070 PolarHBondContact O-N 2.86Å; A1067-F1071 PolarHBondContact O-N 3.39Å
1068	K	96.4	Very high	93.3	Very high	76 Å²	76	54.9 Å²	54.9	33%	0.33	29%	0.294	S	S	.	.	H	α-helix	trans	-57.9	-49.5	173.9	168.6	178.4	173.9	-168.9	0	111.3	V1017 E1064 E1065 H1070 F1071 L1072	V1017-K1068 HydrophobicContact CG1-CB 4.26Å; V1017-K1068 HydrophobicContact CG1-CD 4Å; V1017-K1068 HydrophobicContact CG1-CG 3.73Å; V1017-K1068 HydrophobicContact CG2-CG 4.25Å; E1064-K1068 VanDerWaalsContact O-CB 3.32Å; E1064-K1068 WeakPolarHBondContact O-CB 3.5Å; E1064-K1068 PolarHBondContact O-N 3.34Å; E1065-K1068 PolarHBondContact O-N 3.48Å; K1068-H1070 VanDerWaalsContact C-N 3.34Å; K1068-H1070 PolarHBondContact O-N 3.04Å; K1068-F1071 PolarHBondContact O-N 3.27Å; K1068-L1072 HydrophobicContact CG-CD1 4.15Å; K1068-L1072 WeakPolarHBondContact O-CG 3.13Å; K1068-L1072 PolarHBondContact O-N 2.86Å
1069	K	96.2	Very high	93	Very high	133 Å²	133	56.9 Å²	56.9	58%	0.578	30%	0.302	S	S	*	.	H	α-helix	trans	-59.7	-46.2	177.7	-176.8	178.5	176.7	-178.4	0	111.2	E1065 D1066 F1071 L1072 D1073	E1065-K1069 WeakPolarHBondContact O-CB 3.41Å; E1065-K1069 PolarHBondContact O-N 2.94Å; D1066-K1069 PolarHBondContact O-N 3.34Å; K1069-F1071 VanDerWaalsContact C-N 3.32Å; K1069-F1071 PolarHBondContact O-N 2.94Å; K1069-L1072 PolarHBondContact O-N 2.74Å; K1069-D1073 VanDerWaalsContact O-CG 3.23Å; K1069-D1073 PolarHBondContact O-N 3.05Å
1070	H	94.1	Very high	92.7	Very high	49 Å²	49	60.6 Å²	60.6	23%	0.227	32%	0.322	C	S	.	.	H	α-helix	trans	-56.9	-45	177.9	177.5	68.8	0	0	0	112.4	T1059 D1066 A1067 K1068 D1073 Q1074	T1059-H1070 HydrophobicContact CG2-CB 4.24Å; T1059-H1070 WeakPolarHBondContact CG2-CD2 3.22Å; D1066-H1070 VanDerWaalsContact O-CB 3.27Å; D1066-H1070 WeakPolarHBondContact O-CB 3.34Å; D1066-H1070 PolarHBondContact O-N 2.89Å; A1067-H1070 PolarHBondContact O-N 2.86Å; K1068-H1070 VanDerWaalsContact C-N 3.34Å; K1068-H1070 PolarHBondContact O-N 3.04Å; H1070-D1073 WeakPolarHBondContact O-CB 3.42Å; H1070-D1073 PolarHBondContact O-N 2.87Å; H1070-Q1074 PolarHBondContact CE1-NE2 3.25Å; H1070-Q1074 VanDerWaalsContact CE1-NE2 3.35Å; H1070-Q1074 WeakPolarHBondContact O-CG 3.35Å; H1070-Q1074 PolarHBondContact O-N 3.2Å; H1070-Q1074 VanDerWaalsContact O-N 3.09Å
1071	F	95.6	Very high	92.3	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-68.5	-39.4	179.3	-163.9	-89.2	0	0	0	112.3	V940 F943 F988 C1016 Y1020 A1067 K1068 K1069 D1073 Q1074 I1075	V940-F1071 HydrophobicContact CB-CZ 4.36Å; V940-F1071 HydrophobicContact CG2-CE1 4.05Å; V940-F1071 HydrophobicContact CG2-CE2 4.34Å; V940-F1071 HydrophobicContact CG2-CZ 3.57Å; F943-F1071 HydrophobicContact CB-CE2 4.33Å; F943-F1071 AromaticContact CD1-CD2 3.9Å; F943-F1071 HydrophobicContact CD1-CD2 3.9Å; F943-F1071 AromaticContact CD1-CE2 3.47Å; F943-F1071 HydrophobicContact CD1-CE2 3.47Å; F943-F1071 VanDerWaalsContact CD1-CE2 3.47Å; F943-F1071 AromaticContact CE1-CD2 3.85Å; F943-F1071 HydrophobicContact CE1-CD2 3.85Å; F943-F1071 AromaticContact CE1-CE2 3.92Å; F943-F1071 HydrophobicContact CE1-CE2 3.92Å; F943-F1071 HydrophobicContact CG-CE2 4Å; F988-F1071 HydrophobicContact CE1-CE2 4.49Å; F988-F1071 HydrophobicContact CE1-CZ 4.16Å; F988-F1071 HydrophobicContact CZ-CZ 4.46Å; C1016-F1071 HydrophobicContact CB-CD1 4.41Å; C1016-F1071 HydrophobicContact CB-CE1 3.77Å; Y1020-F1071 HydrophobicContact CD1-CB 3.71Å; Y1020-F1071 AromaticContact CD1-CD2 3.91Å; Y1020-F1071 HydrophobicContact CD1-CD2 3.91Å; Y1020-F1071 AromaticContact CD1-CG 3.88Å; Y1020-F1071 HydrophobicContact CD1-CG 3.88Å; Y1020-F1071 AromaticContact CD2-CD2 3.55Å; Y1020-F1071 HydrophobicContact CD2-CD2 3.55Å; Y1020-F1071 AromaticContact CD2-CE2 3.87Å; Y1020-F1071 HydrophobicContact CD2-CE2 3.87Å; Y1020-F1071 HydrophobicContact CD2-CG 4.32Å; Y1020-F1071 HydrophobicContact CE1-CB 3.85Å; Y1020-F1071 HydrophobicContact CE1-CD2 4.2Å; Y1020-F1071 HydrophobicContact CE1-CG 4.32Å; Y1020-F1071 AromaticContact CE2-CD2 3.89Å; Y1020-F1071 HydrophobicContact CE2-CD2 3.89Å; Y1020-F1071 HydrophobicContact CE2-CE2 4.45Å; Y1020-F1071 HydrophobicContact CG-CB 4.24Å; Y1020-F1071 AromaticContact CG-CD2 3.57Å; Y1020-F1071 HydrophobicContact CG-CD2 3.57Å; Y1020-F1071 HydrophobicContact CG-CE2 4.09Å; Y1020-F1071 AromaticContact CG-CG 3.88Å; Y1020-F1071 HydrophobicContact CG-CG 3.88Å; A1067-F1071 PolarHBondContact O-N 3.39Å; K1068-F1071 PolarHBondContact O-N 3.27Å; K1069-F1071 VanDerWaalsContact C-N 3.32Å; K1069-F1071 PolarHBondContact O-N 2.94Å; F1071-D1073 VanDerWaalsContact C-N 3.3Å; F1071-D1073 PolarHBondContact O-N 3.37Å; F1071-Q1074 WeakPolarHBondContact O-CB 3.48Å; F1071-Q1074 PolarHBondContact O-N 3.34Å; F1071-Q1074 VanDerWaalsContact O-N 3.13Å; F1071-I1075 HydrophobicContact CD1-CD1 4.06Å; F1071-I1075 HydrophobicContact CD1-CG1 4.32Å; F1071-I1075 HydrophobicContact CE1-CD1 3.98Å; F1071-I1075 HydrophobicContact CE1-CG1 4.12Å; F1071-I1075 PolarHBondContact O-N 3.2Å; F1071-I1075 VanDerWaalsContact O-N 3.11Å
1072	L	95.7	Very high	91.8	Very high	49 Å²	49	58.7 Å²	58.7	26%	0.257	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-39.3	172.8	-70.5	171.8	0	0	0	111.8	Q1013 V1017 K1068 K1069 Q1074 I1075 E1076	Q1013-L1072 HydrophobicContact CB-CD2 4.27Å; V1017-L1072 HydrophobicContact CG2-CD2 3.76Å; V1017-L1072 HydrophobicContact CG2-CG 3.95Å; K1068-L1072 HydrophobicContact CG-CD1 4.15Å; K1068-L1072 WeakPolarHBondContact O-CG 3.13Å; K1068-L1072 PolarHBondContact O-N 2.86Å; K1069-L1072 PolarHBondContact O-N 2.74Å; L1072-Q1074 VanDerWaalsContact C-N 3.29Å; L1072-Q1074 PolarHBondContact O-N 3.37Å; L1072-I1075 HydrophobicContact CD2-CD1 4.27Å; L1072-I1075 WeakPolarHBondContact O-CB 3.38Å; L1072-I1075 PolarHBondContact O-N 2.72Å; L1072-I1075 VanDerWaalsContact O-N 3.17Å; L1072-E1076 PolarHBondContact O-N 3.07Å; L1072-E1076 VanDerWaalsContact O-N 3.09Å
1073	D	94.6	Very high	91.1	Very high	80 Å²	80	61.2 Å²	61.2	43%	0.428	29%	0.292	S	S	.	.	H	α-helix	trans	-61.5	-38.5	174.3	-66	-22.9	0	0	0	110.9	K1069 H1070 F1071 I1075 E1076 V1077	K1069-D1073 VanDerWaalsContact O-CG 3.23Å; K1069-D1073 PolarHBondContact O-N 3.05Å; H1070-D1073 WeakPolarHBondContact O-CB 3.42Å; H1070-D1073 PolarHBondContact O-N 2.87Å; F1071-D1073 VanDerWaalsContact C-N 3.3Å; F1071-D1073 PolarHBondContact O-N 3.37Å; D1073-I1075 PolarHBondContact O-N 3.16Å; D1073-E1076 PolarHBondContact O-N 2.74Å; D1073-V1077 WeakPolarHBondContact O-CG2 3.48Å; D1073-V1077 PolarHBondContact O-N 2.96Å
1074	Q	94.2	Very high	90.3	Very high	39 Å²	39	59 Å²	59	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-63.5	-37.6	174.4	-61.9	-42.4	-60.4	0	0	112.7	F943 P987 F988 H1070 F1071 L1072 V1077 C1078	F943-Q1074 HydrophobicContact CE2-CG 3.93Å; F943-Q1074 HydrophobicContact CZ-CG 3.99Å; P987-Q1074 HydrophobicContact CB-CB 4.38Å; P987-Q1074 HydrophobicContact CG-CB 3.84Å; P987-Q1074 HydrophobicContact CG-CG 4.38Å; F988-Q1074 HydrophobicContact CE1-CB 3.96Å; H1070-Q1074 PolarHBondContact CE1-NE2 3.25Å; H1070-Q1074 VanDerWaalsContact CE1-NE2 3.35Å; H1070-Q1074 WeakPolarHBondContact O-CG 3.35Å; H1070-Q1074 PolarHBondContact O-N 3.2Å; H1070-Q1074 VanDerWaalsContact O-N 3.09Å; F1071-Q1074 WeakPolarHBondContact O-CB 3.48Å; F1071-Q1074 PolarHBondContact O-N 3.34Å; F1071-Q1074 VanDerWaalsContact O-N 3.13Å; L1072-Q1074 VanDerWaalsContact C-N 3.29Å; L1072-Q1074 PolarHBondContact O-N 3.37Å; Q1074-V1077 PolarHBondContact O-N 3.16Å; Q1074-C1078 PolarHBondContact O-N 3.37Å; Q1074-C1078 VanDerWaalsContact O-N 3.1Å; Q1074-C1078 PolarHBondContact O-SG 2.99Å
1075	I	93.2	Very high	89.5	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-45.6	174.5	-65.7	171.6	0	0	0	110.5	F988 L990 F1009 F1012 Q1013 C1016 F1071 L1072 D1073 V1077 C1078 R1079	F988-I1075 HydrophobicContact CE2-CG1 4.45Å; F988-I1075 HydrophobicContact CZ-CB 4.43Å; F988-I1075 HydrophobicContact CZ-CG1 3.74Å; L990-I1075 HydrophobicContact CD2-CG2 4.03Å; F1009-I1075 HydrophobicContact CE2-CG2 4.42Å; F1009-I1075 HydrophobicContact CZ-CG2 4.06Å; F1012-I1075 HydrophobicContact CE1-CD1 4.36Å; F1012-I1075 HydrophobicContact CE1-CG2 4.26Å; Q1013-I1075 HydrophobicContact CG-CD1 4.35Å; C1016-I1075 HydrophobicContact CB-CD1 4.06Å; F1071-I1075 HydrophobicContact CD1-CD1 4.06Å; F1071-I1075 HydrophobicContact CD1-CG1 4.32Å; F1071-I1075 HydrophobicContact CE1-CD1 3.98Å; F1071-I1075 HydrophobicContact CE1-CG1 4.12Å; F1071-I1075 PolarHBondContact O-N 3.2Å; F1071-I1075 VanDerWaalsContact O-N 3.11Å; L1072-I1075 HydrophobicContact CD2-CD1 4.27Å; L1072-I1075 WeakPolarHBondContact O-CB 3.38Å; L1072-I1075 PolarHBondContact O-N 2.72Å; L1072-I1075 VanDerWaalsContact O-N 3.17Å; D1073-I1075 PolarHBondContact O-N 3.16Å; I1075-V1077 PolarHBondContact O-N 2.72Å; I1075-C1078 WeakPolarHBondContact O-CB 3.39Å; I1075-C1078 PolarHBondContact O-N 2.98Å; I1075-R1079 PolarHBondContact O-N 2.72Å
1076	E	91.1	Very high	88.6	Confident	60 Å²	60	49.5 Å²	49.5	28%	0.28	23%	0.233	S	C	.	.	H	α-helix	trans	-67	-36.1	179.3	-69.2	-59.7	149.3	0	0	112.1	L1072 D1073 C1078 R1079 D1080	L1072-E1076 PolarHBondContact O-N 3.07Å; L1072-E1076 VanDerWaalsContact O-N 3.09Å; D1073-E1076 PolarHBondContact O-N 2.74Å; E1076-C1078 VanDerWaalsContact C-N 3.31Å; E1076-C1078 PolarHBondContact O-N 3.37Å; E1076-R1079 PolarHBondContact O-N 3.07Å; E1076-R1079 IonicContact OE1-NH1 3.66Å; E1076-R1079 PolarHBondContact OE1-NH1 2.93Å; E1076-R1079 VanDerWaalsContact OE1-NH1 3.11Å; E1076-R1079 IonicContact OE2-CZ 3.84Å; E1076-R1079 IonicContact OE2-NH1 3.34Å; E1076-R1079 PolarHBondContact OE2-NH1 3.33Å; E1076-D1080 PolarHBondContact O-N 3.44Å
1077	V	90.6	Very high	87.7	Confident	49 Å²	49	49.4 Å²	49.4	30%	0.297	23%	0.228	S	C	.	.	H	α-helix	trans	-58.3	-43.5	171.2	170.4	0	0	0	0	111.3	D1073 Q1074 I1075 K1081	D1073-V1077 WeakPolarHBondContact O-CG2 3.48Å; D1073-V1077 PolarHBondContact O-N 2.96Å; Q1074-V1077 PolarHBondContact O-N 3.16Å; I1075-V1077 PolarHBondContact O-N 2.72Å; V1077-K1081 HydrophobicContact CG1-CD 4.07Å; V1077-K1081 WeakPolarHBondContact O-CB 3.33Å; V1077-K1081 PolarHBondContact O-N 3Å; V1077-K1081 VanDerWaalsContact O-N 3.07Å
1078	C	89.1	Confident	86.7	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-63.8	-42.7	177.3	-62.8	0	0	0	0	111.6	P987 F988 L990 Q1074 I1075 E1076 K1081 G1082	P987-C1078 WeakPolarHBondContact CD-SG 3.49Å; P987-C1078 WeakPolarHBondContact CG-SG 3.46Å; F988-C1078 HydrophobicContact CE2-CB 4.36Å; F988-C1078 PolarHBondContact O-SG 3.42Å; F988-C1078 VanDerWaalsContact O-SG 3.32Å; L990-C1078 HydrophobicContact CB-CB 3.86Å; L990-C1078 HydrophobicContact CD2-CB 4.38Å; Q1074-C1078 PolarHBondContact O-N 3.37Å; Q1074-C1078 VanDerWaalsContact O-N 3.1Å; Q1074-C1078 PolarHBondContact O-SG 2.99Å; I1075-C1078 WeakPolarHBondContact O-CB 3.39Å; I1075-C1078 PolarHBondContact O-N 2.98Å; E1076-C1078 VanDerWaalsContact C-N 3.31Å; E1076-C1078 PolarHBondContact O-N 3.37Å; C1078-K1081 CarbonylContact O-C 3.58Å; C1078-K1081 PolarHBondContact O-N 3.02Å; C1078-G1082 VanDerWaalsContact O-CA 3.29Å; C1078-G1082 WeakPolarHBondContact O-CA 3.49Å; C1078-G1082 PolarHBondContact O-N 3.44Å
1079	R	86.9	Confident	85.8	Confident	41 Å²	41	48.4 Å²	48.4	16%	0.155	23%	0.226	C	C	.	.	H	α-helix	trans	-64.5	-42.1	179.3	179.8	171.4	156.8	-154.8	-7.5	112.7	L995 K1003 I1075 E1076 K1081	L995-R1079 HydrophobicContact CD1-CG 4.01Å; K1003-R1079 PolarHBondContact O-NH2 2.83Å; I1075-R1079 PolarHBondContact O-N 2.72Å; E1076-R1079 PolarHBondContact O-N 3.07Å; E1076-R1079 IonicContact OE1-NH1 3.66Å; E1076-R1079 PolarHBondContact OE1-NH1 2.93Å; E1076-R1079 VanDerWaalsContact OE1-NH1 3.11Å; E1076-R1079 IonicContact OE2-CZ 3.84Å; E1076-R1079 IonicContact OE2-NH1 3.34Å; E1076-R1079 PolarHBondContact OE2-NH1 3.33Å; R1079-K1081 VanDerWaalsContact C-N 3.34Å
1080	D	85.6	Confident	84.7	Confident	84 Å²	84	44.1 Å²	44.1	45%	0.449	21%	0.208	S	C	.	.	H	α-helix	trans	-69.3	-32.1	177.5	-81.3	-22.7	0	0	0	112.4	K1003 E1076	K1003-D1080 VanDerWaalsContact CE-OD1 3.26Å; K1003-D1080 WeakPolarHBondContact CE-OD1 3.36Å; K1003-D1080 IonicContact NZ-OD1 3.28Å; K1003-D1080 PolarHBondContact NZ-OD1 3.45Å; K1003-D1080 IonicContact NZ-OD2 3.01Å; E1076-D1080 PolarHBondContact O-N 3.44Å
1081	K	82.6	Confident	83.7	Confident	92 Å²	92	44.3 Å²	44.3	40%	0.4	21%	0.21	S	C	.	.	H	α-helix	trans	-101	3	-178.2	-66.4	-177.9	179.6	174.5	0	114.5	R985 V986 V1077 C1078 R1079 W1083 T1084	R985-K1081 WeakPolarHBondContact O-CD 3.37Å; R985-K1081 PolarHBondContact O-NZ 3.23Å; V986-K1081 HydrophobicContact CG1-CB 3.62Å; V986-K1081 HydrophobicContact CG1-CD 4.29Å; V1077-K1081 HydrophobicContact CG1-CD 4.07Å; V1077-K1081 WeakPolarHBondContact O-CB 3.33Å; V1077-K1081 PolarHBondContact O-N 3Å; V1077-K1081 VanDerWaalsContact O-N 3.07Å; C1078-K1081 CarbonylContact O-C 3.58Å; C1078-K1081 PolarHBondContact O-N 3.02Å; R1079-K1081 VanDerWaalsContact C-N 3.34Å; K1081-W1083 VanDerWaalsContact C-N 3.25Å; K1081-W1083 PolarHBondContact O-N 3.03Å; K1081-W1083 VanDerWaalsContact O-N 3.15Å; K1081-T1084 WeakPolarHBondContact O-CB 3.39Å; K1081-T1084 PolarHBondContact O-N 2.92Å; K1081-T1084 PolarHBondContact O-OG1 3.22Å
1082	G	76.4	Confident	82.4	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-57.1	-35.1	-172	0	0	0	0	0	114.1	C1078 T1084 V1085 Q1086	C1078-G1082 VanDerWaalsContact O-CA 3.29Å; C1078-G1082 WeakPolarHBondContact O-CA 3.49Å; C1078-G1082 PolarHBondContact O-N 3.44Å; G1082-T1084 VanDerWaalsContact C-N 3.26Å; G1082-T1084 PolarHBondContact O-N 3.26Å; G1082-V1085 WeakPolarHBondContact O-CB 3.37Å; G1082-V1085 PolarHBondContact O-N 2.89Å; G1082-V1085 VanDerWaalsContact O-N 3.13Å; G1082-Q1086 PolarHBondContact O-N 3.45Å; G1082-Q1086 VanDerWaalsContact O-N 3.12Å
1083	W	76.5	Confident	81.1	Confident	164 Å²	164	45.5 Å²	45.5	62%	0.621	22%	0.215	S	C	*	.	H	α-helix	trans	-63.5	-29.9	175.7	76.1	-93	0	0	0	113	K1081 V1085 Q1086 F1087	K1081-W1083 VanDerWaalsContact C-N 3.25Å; K1081-W1083 PolarHBondContact O-N 3.03Å; K1081-W1083 VanDerWaalsContact O-N 3.15Å; W1083-V1085 VanDerWaalsContact C-N 3.28Å; W1083-V1085 PolarHBondContact O-N 2.91Å; W1083-Q1086 PolarHBondContact O-N 3.43Å; W1083-F1087 WeakPolarHBondContact O-CB 3.18Å; W1083-F1087 PolarHBondContact O-N 3.27Å
1084	T	78.4	Confident	79.5	Confident	14 Å²	14	44.6 Å²	44.6	9%	0.086	21%	0.212	C	C	.	.	H	α-helix	trans	-69.5	-30.5	177.2	69.6	0	0	0	0	111.6	K1081 G1082 N1088	K1081-T1084 WeakPolarHBondContact O-CB 3.39Å; K1081-T1084 PolarHBondContact O-N 2.92Å; K1081-T1084 PolarHBondContact O-OG1 3.22Å; G1082-T1084 VanDerWaalsContact C-N 3.26Å; G1082-T1084 PolarHBondContact O-N 3.26Å; T1084-N1088 PolarHBondContact O-N 3.41Å; T1084-N1088 VanDerWaalsContact O-N 3.09Å
1085	V	76.3	Confident	77.7	Confident	11 Å²	11	47.7 Å²	47.7	7%	0.067	23%	0.229	C	C	.	.	H	α-helix	trans	-73.8	-45.1	175.3	-177.5	0	0	0	0	110	V986 T991 G1082 W1083 F1087 N1088 W1089	V986-V1085 HydrophobicContact CB-CG2 4.36Å; V986-V1085 HydrophobicContact CG1-CG2 3.84Å; V986-V1085 HydrophobicContact CG2-CG2 3.55Å; T991-V1085 HydrophobicContact CG2-CB 3.9Å; T991-V1085 HydrophobicContact CG2-CG1 3.61Å; G1082-V1085 WeakPolarHBondContact O-CB 3.37Å; G1082-V1085 PolarHBondContact O-N 2.89Å; G1082-V1085 VanDerWaalsContact O-N 3.13Å; W1083-V1085 VanDerWaalsContact C-N 3.28Å; W1083-V1085 PolarHBondContact O-N 2.91Å; V1085-F1087 VanDerWaalsContact C-N 3.28Å; V1085-F1087 PolarHBondContact O-N 3.03Å; V1085-N1088 CarbonylContact O-C 3.58Å; V1085-N1088 WeakPolarHBondContact O-CB 3.45Å; V1085-N1088 PolarHBondContact O-N 3.41Å; V1085-N1088 VanDerWaalsContact O-N 3.09Å; V1085-W1089 HydrophobicContact CG1-CZ2 4.39Å; V1085-W1089 VanDerWaalsContact O-CD1 3.26Å; V1085-W1089 PolarHBondContact O-N 3.13Å
1086	Q	76.8	Confident	75.7	Confident	10 Å²	10	50 Å²	50	5%	0.047	25%	0.254	C	S	.	.	H	α-helix	trans	-57.8	-39.4	171.6	-79.9	-178.9	-28.8	0	0	112.4	A904 F905 D907 T991 G1082 W1083 W1089 F1090	A904-Q1086 VanDerWaalsContact O-CG 3.3Å; A904-Q1086 WeakPolarHBondContact O-CG 3.49Å; A904-Q1086 PolarHBondContact O-NE2 3.31Å; F905-Q1086 HydrophobicContact CD1-CB 4.44Å; D907-Q1086 PolarHBondContact OD1-NE2 2.89Å; T991-Q1086 HydrophobicContact CG2-CG 4.39Å; G1082-Q1086 PolarHBondContact O-N 3.45Å; G1082-Q1086 VanDerWaalsContact O-N 3.12Å; W1083-Q1086 PolarHBondContact O-N 3.43Å; Q1086-W1089 WeakPolarHBondContact O-CB 3.43Å; Q1086-W1089 PolarHBondContact O-N 3.23Å; Q1086-F1090 WeakPolarHBondContact O-CB 3.41Å; Q1086-F1090 PolarHBondContact O-N 3.03Å
1087	F	76.3	Confident	73.4	Confident	84 Å²	84	49.6 Å²	49.6	37%	0.368	25%	0.253	S	S	.	.	H	α-helix	trans	-63.4	-41.9	174.2	-175.9	-99.4	0	0	0	112	F905 W1083 V1085 W1089 F1090 L1091	F905-F1087 HydrophobicContact CE1-CB 4.25Å; F905-F1087 HydrophobicContact CE1-CD2 4.21Å; F905-F1087 AromaticContact CZ-CD2 3.87Å; F905-F1087 HydrophobicContact CZ-CD2 3.87Å; W1083-F1087 WeakPolarHBondContact O-CB 3.18Å; W1083-F1087 PolarHBondContact O-N 3.27Å; V1085-F1087 VanDerWaalsContact C-N 3.28Å; V1085-F1087 PolarHBondContact O-N 3.03Å; F1087-W1089 VanDerWaalsContact C-N 3.35Å; F1087-F1090 WeakPolarHBondContact O-CB 3.39Å; F1087-F1090 PolarHBondContact O-N 2.73Å; F1087-L1091 HydrophobicContact CD1-CD1 3.92Å; F1087-L1091 HydrophobicContact CD1-CG 4.3Å; F1087-L1091 HydrophobicContact CE1-CD1 3.51Å; F1087-L1091 HydrophobicContact CE1-CD2 4.36Å; F1087-L1091 HydrophobicContact CE1-CG 3.97Å; F1087-L1091 HydrophobicContact CZ-CD1 4.2Å; F1087-L1091 HydrophobicContact CZ-CD2 4.22Å; F1087-L1091 HydrophobicContact CZ-CG 4.26Å; F1087-L1091 WeakPolarHBondContact O-CG 3.24Å; F1087-L1091 PolarHBondContact O-N 3.4Å
1088	N	75.1	Confident	71.1	Confident	53 Å²	53	53.8 Å²	53.8	28%	0.283	27%	0.267	S	S	.	.	H	α-helix	trans	-63.1	-40.9	173.1	-74.3	-11.6	0	0	0	111.7	T1084 V1085 F1090 L1091 H1092	T1084-N1088 PolarHBondContact O-N 3.41Å; T1084-N1088 VanDerWaalsContact O-N 3.09Å; V1085-N1088 CarbonylContact O-C 3.58Å; V1085-N1088 WeakPolarHBondContact O-CB 3.45Å; V1085-N1088 PolarHBondContact O-N 3.41Å; V1085-N1088 VanDerWaalsContact O-N 3.09Å; N1088-F1090 VanDerWaalsContact C-N 3.34Å; N1088-F1090 PolarHBondContact O-N 3.28Å; N1088-L1091 PolarHBondContact O-N 3.11Å; N1088-H1092 PolarHBondContact O-N 3.4Å
1089	W	76.2	Confident	68.6	Low	3 Å²	3	58 Å²	58	1%	0.011	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-41.6	174.5	-69.9	6.1	0	0	0	111.9	I891 A904 N952 I955 V989 T991 F994 V1085 Q1086 F1087 H1092 L1093	I891-W1089 HydrophobicContact CG2-CH2 4.37Å; I891-W1089 HydrophobicContact CG2-CZ3 3.99Å; A904-W1089 HydrophobicContact CB-CB 4.16Å; N952-W1089 HydrophobicContact CB-CD2 3.66Å; N952-W1089 HydrophobicContact CB-CE3 3.69Å; N952-W1089 HydrophobicContact CB-CG 4.07Å; N952-W1089 HydrophobicContact CB-CH2 4.35Å; N952-W1089 HydrophobicContact CB-CZ2 4.34Å; N952-W1089 HydrophobicContact CB-CZ3 4.05Å; I955-W1089 HydrophobicContact CD1-CZ2 4.17Å; V989-W1089 HydrophobicContact CG1-CH2 4.14Å; V989-W1089 HydrophobicContact CG1-CZ2 3.57Å; T991-W1089 HydrophobicContact CG2-CE3 4.42Å; T991-W1089 HydrophobicContact CG2-CH2 3.72Å; T991-W1089 HydrophobicContact CG2-CZ2 3.84Å; T991-W1089 HydrophobicContact CG2-CZ3 4.02Å; T991-W1089 WeakPolarHBondContact OG1-CH2 3.31Å; F994-W1089 HydrophobicContact CE1-CH2 4.04Å; F994-W1089 AromaticContact CZ-CH2 3.89Å; F994-W1089 HydrophobicContact CZ-CH2 3.89Å; V1085-W1089 HydrophobicContact CG1-CZ2 4.39Å; V1085-W1089 VanDerWaalsContact O-CD1 3.26Å; V1085-W1089 PolarHBondContact O-N 3.13Å; Q1086-W1089 WeakPolarHBondContact O-CB 3.43Å; Q1086-W1089 PolarHBondContact O-N 3.23Å; F1087-W1089 VanDerWaalsContact C-N 3.35Å; W1089-H1092 WeakPolarHBondContact O-CB 3.44Å; W1089-H1092 PolarHBondContact O-N 3.24Å; W1089-L1093 VanDerWaalsContact O-CG 3.3Å; W1089-L1093 WeakPolarHBondContact O-CG 3.28Å; W1089-L1093 PolarHBondContact O-N 2.67Å
1090	F	74.1	Confident	65.9	Low	42 Å²	42	59 Å²	59	18%	0.184	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-45.3	174	172	-101.2	0	0	0	112.5	N901 T902 A904 F905 Q1086 F1087 N1088 H1092 L1093 V1094	N901-F1090 WeakPolarHBondContact O-CD2 3.36Å; N901-F1090 WeakPolarHBondContact O-CE2 3.46Å; T902-F1090 HydrophobicContact CG2-CE2 3.95Å; A904-F1090 HydrophobicContact CB-CB 4.19Å; F905-F1090 HydrophobicContact CD2-CB 4.36Å; F905-F1090 AromaticContact CD2-CD2 3.88Å; F905-F1090 HydrophobicContact CD2-CD2 3.88Å; F905-F1090 HydrophobicContact CD2-CE2 4.35Å; F905-F1090 HydrophobicContact CD2-CG 4.13Å; F905-F1090 HydrophobicContact CE1-CB 4.23Å; F905-F1090 HydrophobicContact CE2-CB 3.55Å; F905-F1090 AromaticContact CE2-CD1 3.61Å; F905-F1090 HydrophobicContact CE2-CD1 3.61Å; F905-F1090 AromaticContact CE2-CD2 3.28Å; F905-F1090 HydrophobicContact CE2-CD2 3.28Å; F905-F1090 HydrophobicContact CE2-CE1 4.05Å; F905-F1090 AromaticContact CE2-CE2 3.76Å; F905-F1090 HydrophobicContact CE2-CE2 3.76Å; F905-F1090 AromaticContact CE2-CG 3.17Å; F905-F1090 HydrophobicContact CE2-CG 3.17Å; F905-F1090 HydrophobicContact CE2-CZ 4.09Å; F905-F1090 HydrophobicContact CZ-CB 3.45Å; F905-F1090 VanDerWaalsContact CZ-CB 3.45Å; F905-F1090 AromaticContact CZ-CD1 3.71Å; F905-F1090 HydrophobicContact CZ-CD1 3.71Å; F905-F1090 HydrophobicContact CZ-CD2 4.08Å; F905-F1090 HydrophobicContact CZ-CE1 4.44Å; F905-F1090 AromaticContact CZ-CG 3.48Å; F905-F1090 HydrophobicContact CZ-CG 3.48Å; F905-F1090 VanDerWaalsContact CZ-CG 3.48Å; Q1086-F1090 WeakPolarHBondContact O-CB 3.41Å; Q1086-F1090 PolarHBondContact O-N 3.03Å; F1087-F1090 WeakPolarHBondContact O-CB 3.39Å; F1087-F1090 PolarHBondContact O-N 2.73Å; N1088-F1090 VanDerWaalsContact C-N 3.34Å; N1088-F1090 PolarHBondContact O-N 3.28Å; F1090-H1092 PolarHBondContact O-N 2.69Å; F1090-L1093 PolarHBondContact O-N 3.21Å; F1090-V1094 HydrophobicContact CD1-CG2 4.42Å; F1090-V1094 HydrophobicContact CD2-CG2 3.74Å; F1090-V1094 HydrophobicContact CE1-CG2 4.02Å; F1090-V1094 HydrophobicContact CE2-CB 4.49Å; F1090-V1094 HydrophobicContact CE2-CG2 3.27Å; F1090-V1094 HydrophobicContact CG-CG2 4.31Å; F1090-V1094 HydrophobicContact CZ-CB 4.35Å; F1090-V1094 HydrophobicContact CZ-CG2 3.45Å; F1090-V1094 VanDerWaalsContact CZ-CG2 3.45Å; F1090-V1094 WeakPolarHBondContact O-CB 3.32Å; F1090-V1094 PolarHBondContact O-N 2.95Å
1091	L	72.9	Confident	63.2	Low	53 Å²	53	60.5 Å²	60.5	28%	0.277	32%	0.321	S	S	.	.	H	α-helix	trans	-59.8	-38.2	175.1	-70.2	176.4	0	0	0	111.4	F1087 N1088 L1095	F1087-L1091 HydrophobicContact CD1-CD1 3.92Å; F1087-L1091 HydrophobicContact CD1-CG 4.3Å; F1087-L1091 HydrophobicContact CE1-CD1 3.51Å; F1087-L1091 HydrophobicContact CE1-CD2 4.36Å; F1087-L1091 HydrophobicContact CE1-CG 3.97Å; F1087-L1091 HydrophobicContact CZ-CD1 4.2Å; F1087-L1091 HydrophobicContact CZ-CD2 4.22Å; F1087-L1091 HydrophobicContact CZ-CG 4.26Å; F1087-L1091 WeakPolarHBondContact O-CG 3.24Å; F1087-L1091 PolarHBondContact O-N 3.4Å; N1088-L1091 PolarHBondContact O-N 3.11Å; L1091-L1095 HydrophobicContact CB-CD1 4.43Å; L1091-L1095 HydrophobicContact CD2-CD1 3.59Å; L1091-L1095 WeakPolarHBondContact O-CB 3.41Å; L1091-L1095 PolarHBondContact O-N 3.46Å
1092	H	67.6	Low	60.5	Low	59 Å²	59	63.8 Å²	63.8	27%	0.273	34%	0.338	S	S	.	.	H	α-helix	trans	-62.5	-47.3	174.8	-165	-97.6	0	0	0	111.7	H951 D953 N1088 W1089 F1090	H951-H1092 AromaticContact CE1-CE1 3.83Å; H951-H1092 AromaticContact CE1-NE2 4Å; H951-H1092 AromaticContact ND1-CE1 3.84Å; D953-H1092 IonicContact OD2-CE1 2.74Å; D953-H1092 PolarHBondContact OD2-CE1 2.79Å; D953-H1092 IonicContact OD2-ND1 3.67Å; D953-H1092 PolarHBondContact OD2-ND1 3.24Å; N1088-H1092 PolarHBondContact O-N 3.4Å; W1089-H1092 WeakPolarHBondContact O-CB 3.44Å; W1089-H1092 PolarHBondContact O-N 3.24Å; F1090-H1092 PolarHBondContact O-N 2.69Å
1093	L	68	Low	58	Low	16 Å²	16	72.2 Å²	72.2	8%	0.084	38%	0.375	C	S	.	.	H	α-helix	trans	-63.4	-47.2	177.9	-72.6	168.6	0	0	0	113.5	A892 Q896 A904 N952 W1089 F1090	A892-L1093 HydrophobicContact CB-CD2 4.06Å; Q896-L1093 HydrophobicContact CG-CD2 3.68Å; A904-L1093 HydrophobicContact CB-CD1 3.63Å; N952-L1093 WeakPolarHBondContact ND2-CD1 3.38Å; W1089-L1093 VanDerWaalsContact O-CG 3.3Å; W1089-L1093 WeakPolarHBondContact O-CG 3.28Å; W1089-L1093 PolarHBondContact O-N 2.67Å; F1090-L1093 PolarHBondContact O-N 3.21Å
1094	V	62.3	Low	55.7	Low	61 Å²	61	72.2 Å²	72.2	37%	0.37	38%	0.381	S	S	.	.	H	α-helix	trans	-82.1	-48.7	-170.6	168.4	0	0	0	0	112.8	N901 F1090 G1096	N901-V1094 HydrophobicContact CB-CG2 3.62Å; F1090-V1094 HydrophobicContact CD1-CG2 4.42Å; F1090-V1094 HydrophobicContact CD2-CG2 3.74Å; F1090-V1094 HydrophobicContact CE1-CG2 4.02Å; F1090-V1094 HydrophobicContact CE2-CB 4.49Å; F1090-V1094 HydrophobicContact CE2-CG2 3.27Å; F1090-V1094 HydrophobicContact CG-CG2 4.31Å; F1090-V1094 HydrophobicContact CZ-CB 4.35Å; F1090-V1094 HydrophobicContact CZ-CG2 3.45Å; F1090-V1094 VanDerWaalsContact CZ-CG2 3.45Å; F1090-V1094 WeakPolarHBondContact O-CB 3.32Å; F1090-V1094 PolarHBondContact O-N 2.95Å; V1094-G1096 PolarHBondContact O-N 3.45Å
1095	L	56.4	Low	53.2	Low	103 Å²	103	76.7 Å²	76.7	54%	0.539	41%	0.413	S	S	.	.	H	α-helix	trans	-84.8	-0.9	-170.7	-62.3	170.9	0	0	0	111.2	L1091 I1097	L1091-L1095 HydrophobicContact CB-CD1 4.43Å; L1091-L1095 HydrophobicContact CD2-CD1 3.59Å; L1091-L1095 WeakPolarHBondContact O-CB 3.41Å; L1091-L1095 PolarHBondContact O-N 3.46Å; L1095-I1097 HydrophobicContact CB-CB 4.39Å; L1095-I1097 HydrophobicContact CB-CD1 3.42Å; L1095-I1097 VanDerWaalsContact CB-CD1 3.42Å; L1095-I1097 HydrophobicContact CB-CG1 3.36Å; L1095-I1097 HydrophobicContact CD1-CD1 3.45Å; L1095-I1097 VanDerWaalsContact CD1-CD1 3.45Å; L1095-I1097 HydrophobicContact CD1-CG1 4.35Å; L1095-I1097 HydrophobicContact CG-CD1 4.07Å; L1095-I1097 HydrophobicContact CG-CG1 4.48Å; L1095-I1097 PolarHBondContact O-N 3.44Å
1096	G	51.4	Low	50.8	Low	50 Å²	50	84.5 Å²	84.5	52%	0.515	48%	0.478	S	S	.	.			trans	46.2	34.3	-175.8	0	0	0	0	0	110.6	V1094 K1098	V1094-G1096 PolarHBondContact O-N 3.45Å; G1096-K1098 PolarHBondContact O-N 2.96Å
1097	I	41.8	Very low	49.5	Very low	51 Å²	51	88.2 Å²	88.2	26%	0.262	50%	0.5	S	S	.	.			trans	-69.8	84.6	-170.3	-74.3	166.1	0	0	0	106.7	L1095 Q1099	L1095-I1097 HydrophobicContact CB-CB 4.39Å; L1095-I1097 HydrophobicContact CB-CD1 3.42Å; L1095-I1097 VanDerWaalsContact CB-CD1 3.42Å; L1095-I1097 HydrophobicContact CB-CG1 3.36Å; L1095-I1097 HydrophobicContact CD1-CD1 3.45Å; L1095-I1097 VanDerWaalsContact CD1-CD1 3.45Å; L1095-I1097 HydrophobicContact CD1-CG1 4.35Å; L1095-I1097 HydrophobicContact CG-CD1 4.07Å; L1095-I1097 HydrophobicContact CG-CG1 4.48Å; L1095-I1097 PolarHBondContact O-N 3.44Å; I1097-Q1099 HydrophobicContact CG2-CB 3.23Å; I1097-Q1099 HydrophobicContact CG2-CG 3.03Å; I1097-Q1099 PolarHBondContact O-N 3.03Å
1098	K	42.2	Very low	48.1	Very low	136 Å²	136	88.4 Å²	88.4	59%	0.591	51%	0.507	S	S	*	.			trans	-63	72.9	153.3	-70.2	176.4	178.3	174.4	0	105.5	G1096 G1100	G1096-K1098 PolarHBondContact O-N 2.96Å; K1098-G1100 PolarHBondContact O-N 3.09Å
1099	Q	37.9	Very low	46.6	Very low	90 Å²	90	90.4 Å²	90.4	42%	0.421	52%	0.519	S	S	.	.			trans	-74.9	76.8	-173.1	-128.3	161.6	37.9	0	0	109.6	K983 I1097	K983-Q1099 VanDerWaalsContact CE-OE1 3.28Å; I1097-Q1099 HydrophobicContact CG2-CB 3.23Å; I1097-Q1099 HydrophobicContact CG2-CG 3.03Å; I1097-Q1099 PolarHBondContact O-N 3.03Å
1100	G	30.2	Very low	44.9	Very low	62 Å²	62	95.5 Å²	95.5	64%	0.639	55%	0.549	S	S	*	.			trans	-138	15.7	164.5	0	0	0	0	0	111.8	K1098 E1102	K1098-G1100 PolarHBondContact O-N 3.09Å; G1100-E1102 VanDerWaalsContact C-N 3.31Å; G1100-E1102 PolarHBondContact O-N 3.36Å; G1100-E1102 VanDerWaalsContact O-N 3.08Å
1101	V	26.9	Very low	43.1	Very low	115 Å²	115	98.9 Å²	98.9	70%	0.697	57%	0.572	S	S	*	*			trans	-82	81.9	175.5	-175.1	0	0	0	0	108.2	K1103	V1101-K1103 HydrophobicContact CG1-CB 4.23Å; V1101-K1103 HydrophobicContact CG1-CG 3.69Å; V1101-K1103 PolarHBondContact O-N 2.79Å
1102	E	27.4	Very low	41.1	Very low	161 Å²	161	101.9 Å²	101.9	75%	0.752	59%	0.592	S	S	*	*			trans	-70.2	96.6	138.6	-78.3	-173.3	161	0	0	105.8	G1100 H1104	G1100-E1102 VanDerWaalsContact C-N 3.31Å; G1100-E1102 PolarHBondContact O-N 3.36Å; G1100-E1102 VanDerWaalsContact O-N 3.08Å; E1102-H1104 PolarHBondContact O-N 2.79Å; E1102-H1104 IonicContact OE2-CE1 2.96Å; E1102-H1104 IonicContact OE2-NE2 2.72Å
1103	K	24.4	Very low	39.2	Very low	179 Å²	179	105 Å²	105	78%	0.778	62%	0.615	S	S	*	*			trans	-66	97.3	152.2	-92.8	-180	179.5	-177.3	0	104.5	V1101 S1105	V1101-K1103 HydrophobicContact CG1-CB 4.23Å; V1101-K1103 HydrophobicContact CG1-CG 3.69Å; V1101-K1103 PolarHBondContact O-N 2.79Å; K1103-S1105 PolarHBondContact O-N 3.15Å
1104	H	27.3	Very low	37	Very low	163 Å²	163	111.8 Å²	111.8	76%	0.755	66%	0.655	S	S	*	*			trans	-62.3	93.5	150.6	-74.4	-52.2	0	0	0	105.9	E1102 A1106	E1102-H1104 PolarHBondContact O-N 2.79Å; E1102-H1104 IonicContact OE2-CE1 2.96Å; E1102-H1104 IonicContact OE2-NE2 2.72Å; H1104-A1106 PolarHBondContact O-N 3.18Å
1105	S	24.9	Very low	34.9	Very low	109 Å²	109	116.1 Å²	116.1	76%	0.762	68%	0.679	S	S	*	*			trans	-55.1	130	155.7	19.6	0	0	0	0	107.3	K1103	K1103-S1105 PolarHBondContact O-N 3.15Å
1106	A	27.4	Very low	32.9	Very low	174 Å²	174	117.3 Å²	117.3	100%	1.438	69%	0.692	S	S	*	*			trans	-45.5	0	-172.4	0	0	0	0	0	115.6	H1104	H1104-A1106 PolarHBondContact O-N 3.18Å

Retrieved 1,106 of 1,106 residues in 2323.4 ms (Link to these results)

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