A0A061HZ27_CRIGR Loading...

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

AlphaFold DB , UniProt , Accession A0A061HZ27, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pik3cg, Length 1,102 aa.

						>A0A061HZ27_CRIGR|A0A061HZ27|Pik3cg
MELENYEQPVVLREDNLRRRRRMKPRSAAGSLSSMELIPIEFILPTSQRISKTPETALLHVAGHGNVEQMKAQVWLRALETSVAAEFYHRLGPDHFLLLYQKKGQWYEIYDRYQVVQTLDCLRYWKMMHKSPGQIHVVQRHAPSEETLAFQKQLTSLIGYDVTDISNVHDDELEFTRRRLVTPRMAEVAGRDAKLYAMHPWVTSKPLPDYLSKKITNNCILIVIHRSTTSQTIKVSADDTPGAILQSFFTKMAKKKSLMNIPESQSERDFVLRVCGRDEYLVGETPLKNFQWVRQCLKNGDEIHLVLDTPPDPALDEVRKEEWPLVDDCTGVTGYHEQLTIHGKDHESVFTVSLWDCDRKFRVKIRGIDIPVLPRNTDLTVFVEANIQHGQQVLCQRRTSPKPFTEEVLWNVWLEFGIKIKDLPKGALLNLQIYCCKTPTLSSKASAEMPGSESKGKAQLLYYVNLLLIDHRFLLRHGDYVLHMWQISGKVEEQGSFNADKLTSATNPDKENSMSISILLDNYCHPIALPKHQPTPDPEGDRVRAEMPNQLRKQLEAIIATDPLNPLTAEDKELLWHFRYESLKHPKAYPKLFSSVKWGQQEIVAKTYQLLARREVWDQSALDVGLTMQLLDCNFSDENVRAIAVQKLESLEDDDVLHYLLQLVQAVKFEPYHDSALARFLLKRGLRNKRIGHFLFWFLRSEIAQSRHYQQRFAVILEAYLRGCGMAMLQDFTQQVQVIEMLQKVTIDIKSLSAEKYDVSSQVISQLKQKLENLQNSSLPKSFRVPYDPGLKAGTLVIEKCKVMASKKKPLWLEFQCADPTVLSNETIGIIFKHGDDLRQDMLILQILRIMESIWETECLDLCLLPYGCISTGDKIGMIQIVKDATTIAQIQQSTVGNTGAFKDEVLNHWLKEKCPIEEKFQAAVERFVYSCAGYCVATFVLGIGDRHNDNIMISETGNLFHIDFGHILGNYKSFLGINKERVPFVLTPDFLFVMGTSGKKTSPHFQKFQDVCVRAYLALRHHTNLLIILFSMMLMTGMPQLTSKEDIEYIRDALTVGKNEEDAKKYFLDQIEVCRDKGWTVQFNWFLHLVLGIKQGEKHSA
					

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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	29.4	Very low	30.5	Very low	234 Å²	234	172.6 Å²	172.6	100%	1.153	87%	0.865	S	S	*	*				0	115.9	0	-72.3	-176.2	-54.8	0	0	106.3
2	E	30.1	Very low	30.2	Very low	176 Å²	176	171.6 Å²	171.6	82%	0.822	86%	0.863	S	S	*	*			cis	-151.3	123.2	-0.3	-80.7	170.6	150.6	0	0	103.6
3	L	36	Very low	30	Very low	152 Å²	152	177.8 Å²	177.8	80%	0.796	87%	0.87	S	S	*	*				49.6	114	100	-78.8	166.3	0	0	0	115
4	E	28.8	Very low	29.8	Very low	197 Å²	197	179.1 Å²	179.1	92%	0.921	87%	0.873	S	S	*	*				-165.2	136.8	115.9	-105.5	176.7	-174.2	0	0	112.9
5	N	35	Very low	29.7	Very low	134 Å²	134	177 Å²	177	72%	0.717	87%	0.867	S	S	*	*			trans	-81	157.9	-179.9	-81.6	-34.4	0	0	0	112
6	Y	26.9	Very low	29.6	Very low	244 Å²	244	175.1 Å²	175.1	96%	0.957	86%	0.862	S	S	*	*			trans	-161.7	119.2	130.8	-105.9	-76.5	0	0	0	110.8
7	E	29.4	Very low	29.5	Very low	183 Å²	183	173.7 Å²	173.7	86%	0.855	86%	0.858	S	S	*	*			trans	-83.4	151.8	172.1	-73.9	-178.2	143.7	0	0	112.1
8	Q	27.6	Very low	29.5	Very low	192 Å²	192	177.6 Å²	177.6	90%	0.897	86%	0.861	S	S	*	*			trans	-143.7	155.6	157.8	-90.1	-162	-4.3	0	0	111.8
9	P	32.5	Very low	29.4	Very low	116 Å²	116	180.9 Å²	180.9	75%	0.753	86%	0.864	S	S	*	*			trans	-102.9	163	-142	37.9	-33.9	0	0	0	116.2
10	V	32.6	Very low	29.3	Very low	134 Å²	134	183.7 Å²	183.7	81%	0.812	87%	0.865	S	S	*	*			trans	-80.4	136.7	176.5	174.6	0	0	0	0	111.6
11	V	27.5	Very low	29.3	Very low	137 Å²	137	186.9 Å²	186.9	83%	0.83	87%	0.869	S	S	*	*			trans	-132.9	122.1	165.2	179.1	0	0	0	0	110.6
12	L	27	Very low	29.3	Very low	160 Å²	160	187 Å²	187	84%	0.838	86%	0.857	S	S	*	*			trans	-71.8	152.7	173.7	-75.4	146.5	0	0	0	112
13	R	27.7	Very low	29.2	Very low	253 Å²	253	187.6 Å²	187.6	96%	0.955	86%	0.862	S	S	*	*			trans	-127.4	128.2	167.5	-118.5	-176.5	-177.6	-176.8	1.6	111.5
14	E	26.9	Very low	28.7	Very low	196 Å²	196	190 Å²	190	92%	0.916	87%	0.866	S	S	*	*			trans	-78.1	161.1	-174.7	-70.3	176.3	136.4	0	0	115.5
15	D	28.2	Very low	28.7	Very low	147 Å²	147	186.6 Å²	186.6	79%	0.786	86%	0.86	S	S	*	*			trans	-55.2	154	167.5	-77.8	-54	0	0	0	116.1
16	N	27.4	Very low	28.3	Very low	147 Å²	147	192 Å²	192	79%	0.786	87%	0.871	S	S	*	*			trans	-171.3	109.3	130.3	-99.3	-45.9	0	0	0	115.1
17	L	28.7	Very low	28.6	Very low	151 Å²	151	186 Å²	186	79%	0.791	86%	0.864	S	S	*	*			trans	36.2	124.3	131.5	-71.6	161.7	0	0	0	121.8
18	R	29.6	Very low	28.5	Very low	244 Å²	244	181.9 Å²	181.9	92%	0.921	86%	0.862	S	S	*	*			trans	-157.9	106.4	133.9	-107.9	169.1	-164.8	-162	5.1	115.3
19	R	27.3	Very low	28.6	Very low	240 Å²	240	177.8 Å²	177.8	91%	0.906	86%	0.861	S	S	*	*			trans	60.4	113.8	140.5	-71.2	-177.3	175.3	177.2	-1.5	122.9
20	R	28.3	Very low	28.5	Very low	236 Å²	236	175.2 Å²	175.2	89%	0.891	86%	0.856	S	S	*	*			trans	-46.3	137.1	158.5	-66.6	169.9	169.7	171	-3.8	115.2
21	R	28.4	Very low	28.6	Very low	251 Å²	251	174.7 Å²	174.7	95%	0.947	86%	0.858	S	S	*	*			trans	-120.8	116.8	140.7	-95.2	-176.2	174.3	176.7	-1.1	108.8
22	R	29.5	Very low	29.1	Very low	237 Å²	237	176.4 Å²	176.4	89%	0.894	86%	0.862	S	S	*	*			trans	-68.4	121.2	170.8	-85.6	175.3	162.8	174.1	-5.8	109.1
23	M	27.7	Very low	29.7	Very low	189 Å²	189	174.6 Å²	174.6	93%	0.931	86%	0.862	S	S	*	*			trans	-112.4	125.5	147.7	-88	-166.7	168.8	0	0	107.8
24	K	25.4	Very low	30.3	Very low	203 Å²	203	167.6 Å²	167.6	88%	0.883	85%	0.852	S	S	*	*			trans	-61.7	137.6	178.1	-74.5	176.3	172.7	179.6	0	109.7	R26	K24-R26 PolarHBondContact O-N 3.39Å
25	P	28.6	Very low	31.6	Very low	124 Å²	124	163 Å²	163	81%	0.805	83%	0.831	S	S	*	*			trans	-69.4	123.1	167.2	29.1	-29.6	0	0	0	108	S27	P25-S27 PolarHBondContact O-N 3.23Å
26	R	26.8	Very low	33.5	Very low	248 Å²	248	162.1 Å²	162.1	94%	0.936	82%	0.823	S	S	*	*			trans	-68.4	115.7	163.6	-109.7	179.6	164.4	177	-5.2	106.7	K24 A28	K24-R26 PolarHBondContact O-N 3.39Å; R26-A28 PolarHBondContact O-N 2.87Å; R26-A28 VanDerWaalsContact O-N 3.15Å
27	S	33.8	Very low	36.2	Very low	117 Å²	117	159.3 Å²	159.3	82%	0.818	81%	0.807	S	S	*	*			trans	-58.6	106.5	171	51.5	0	0	0	0	110.7	P25	P25-S27 PolarHBondContact O-N 3.23Å
28	A	28	Very low	39	Very low	97 Å²	97	153.5 Å²	153.5	80%	0.802	78%	0.777	S	S	*	*			trans	-133.1	65.7	150	0	0	0	0	0	106.6	R26 G30	R26-A28 PolarHBondContact O-N 2.87Å; R26-A28 VanDerWaalsContact O-N 3.15Å; A28-G30 PolarHBondContact O-N 3.13Å
29	A	29.6	Very low	42	Very low	107 Å²	107	143.8 Å²	143.8	88%	0.884	75%	0.745	S	S	*	*			trans	-71.4	84.5	164.6	0	0	0	0	0	107.4
30	G	28.9	Very low	45.2	Very low	62 Å²	62	132.4 Å²	132.4	64%	0.639	70%	0.702	S	S	*	*			trans	-87.6	120.5	155.9	0	0	0	0	0	107.5	A28 L32	A28-G30 PolarHBondContact O-N 3.13Å; G30-L32 PolarHBondContact O-N 3.49Å; G30-L32 VanDerWaalsContact O-N 3.1Å
31	S	36.1	Very low	48.4	Very low	122 Å²	122	123.5 Å²	123.5	85%	0.853	67%	0.671	S	S	*	*			trans	-55.5	105.3	179.2	55.3	0	0	0	0	112.5
32	L	36.5	Very low	51.5	Low	174 Å²	174	111.5 Å²	111.5	91%	0.911	63%	0.626	S	S	*	*			trans	-137.5	68.4	166.6	-86.2	157.4	0	0	0	108	G30	G30-L32 PolarHBondContact O-N 3.49Å; G30-L32 VanDerWaalsContact O-N 3.1Å
33	S	40	Very low	54.6	Low	121 Å²	121	101.3 Å²	101.3	85%	0.846	59%	0.588	S	S	*	*			trans	-158.8	61.3	178	172.2	0	0	0	0	110.9
34	S	40.8	Very low	57.6	Low	107 Å²	107	92.6 Å²	92.6	75%	0.748	55%	0.546	S	S	*	.	S	Bend	trans	-145.9	129.3	157.3	58.8	0	0	0	0	107.5	E36	S34-E36 PolarHBondContact O-N 3.11Å
35	M	54.5	Low	60.5	Low	98 Å²	98	85.1 Å²	85.1	48%	0.483	52%	0.518	S	S	.	.			trans	-45.4	119.5	166.2	-81	176.9	135.3	0	0	108.1	L37 H64	M35-L37 HydrophobicContact CB-CG 4.43Å; M35-L37 PolarHBondContact O-N 3.16Å; M35-H64 VanDerWaalsContact CE-CE1 3.45Å; M35-H64 WeakPolarHBondContact CE-CE1 3.4Å; M35-H64 VanDerWaalsContact CE-NE2 3.34Å; M35-H64 WeakPolarHBondContact CE-NE2 3.28Å
36	E	67.9	Low	63.2	Low	130 Å²	130	79.9 Å²	79.9	61%	0.607	48%	0.484	S	S	*	.			trans	-71.7	90.1	173	-160.7	174.2	-173.4	0	0	107.1	S34 G63	S34-E36 PolarHBondContact O-N 3.11Å; E36-G63 PolarHBondContact O-N 2.81Å; E36-G63 VanDerWaalsContact O-N 3.13Å
37	L	84.3	Confident	65.9	Low	88 Å²	88	71 Å²	71	46%	0.461	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.2	172.9	-71.9	176.4	0	0	0	108.1	M35 H60	M35-L37 HydrophobicContact CB-CG 4.43Å; M35-L37 PolarHBondContact O-N 3.16Å; L37-H60 HydrophobicContact CB-CB 4.26Å
38	I	87.8	Confident	67.8	Low	29 Å²	29	70 Å²	70	15%	0.149	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.5	-173.5	-52.3	-177.3	0	0	0	108.2	I40 V61 Q117 L122	I38-I40 HydrophobicContact CG2-CD1 4.38Å; I38-I40 HydrophobicContact CG2-CG1 4.11Å; I38-I40 PolarHBondContact O-N 2.92Å; I38-V61 PolarHBondContact N-O 3.13Å; I38-V61 PolarHBondContact O-N 3.4Å; I38-Q117 HydrophobicContact CD1-CB 4.4Å; I38-L122 HydrophobicContact CD1-CD1 3.73Å; I38-L122 HydrophobicContact CG2-CD1 4.36Å; I38-L122 HydrophobicContact CG2-CD2 3.84Å
39	P	92.3	Very high	69.5	Low	39 Å²	39	75.6 Å²	75.6	25%	0.253	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	122.4	177.2	29.8	-33.3	0	0	0	110.5	L59 P132	P39-L59 WeakPolarHBondContact CA-O 3.49Å; P39-P132 HydrophobicContact CB-CB 4.44Å
40	I	94.1	Very high	71	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.005	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130	179.9	-56	176.5	0	0	0	109.3	I38 F42 L59 V61 M70 L122 I135	I38-I40 HydrophobicContact CG2-CD1 4.38Å; I38-I40 HydrophobicContact CG2-CG1 4.11Å; I38-I40 PolarHBondContact O-N 2.92Å; I40-F42 HydrophobicContact CB-CD2 4.46Å; I40-F42 HydrophobicContact CB-CE2 3.77Å; I40-F42 HydrophobicContact CB-CZ 4.21Å; I40-F42 HydrophobicContact CG2-CD2 4.11Å; I40-F42 HydrophobicContact CG2-CE1 4.34Å; I40-F42 HydrophobicContact CG2-CE2 3.6Å; I40-F42 HydrophobicContact CG2-CZ 3.74Å; I40-L59 PolarHBondContact N-O 3.41Å; I40-L59 PolarHBondContact O-N 3.09Å; I40-V61 HydrophobicContact CD1-CB 4.44Å; I40-V61 HydrophobicContact CD1-CG2 4.21Å; I40-M70 HydrophobicContact CD1-SD 4.19Å; I40-L122 HydrophobicContact CD1-CD2 4.15Å; I40-L122 HydrophobicContact CG1-CD2 4.45Å; I40-I135 HydrophobicContact CD1-CD1 4.38Å; I40-I135 HydrophobicContact CG2-CB 4.41Å; I40-I135 HydrophobicContact CG2-CD1 3.68Å; I40-I135 HydrophobicContact CG2-CG1 3.78Å
41	E	94.9	Very high	72.9	Confident	49 Å²	49	78.6 Å²	78.6	23%	0.229	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.1	172.3	-176.2	176.6	-135.5	0	0	109.8	L58 P132 G133 Q134 I135	E41-L58 HydrophobicContact CB-CD1 4.5Å; E41-P132 HydrophobicContact CB-CB 4.34Å; E41-P132 HydrophobicContact CB-CG 4.27Å; E41-G133 PolarHBondContact N-O 3Å; E41-Q134 HydrophobicContact CB-CG 4.19Å; E41-Q134 HydrophobicContact CG-CG 4.43Å; E41-Q134 CarbonylContact O-C 3.57Å; E41-Q134 VanDerWaalsContact O-CA 3.29Å; E41-Q134 WeakPolarHBondContact O-CA 3.39Å; E41-Q134 VanDerWaalsContact OE2-CG 3.27Å; E41-Q134 WeakPolarHBondContact OE2-CG 3.44Å; E41-Q134 PolarHBondContact OE2-NE2 3.11Å; E41-I135 PolarHBondContact O-N 3.35Å
42	F	94.4	Very high	74.5	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.5	176.7	-68.5	-91.5	0	0	0	110.4	I40 T56 A57 L59 V61 M70 V74 I135 V137	I40-F42 HydrophobicContact CB-CD2 4.46Å; I40-F42 HydrophobicContact CB-CE2 3.77Å; I40-F42 HydrophobicContact CB-CZ 4.21Å; I40-F42 HydrophobicContact CG2-CD2 4.11Å; I40-F42 HydrophobicContact CG2-CE1 4.34Å; I40-F42 HydrophobicContact CG2-CE2 3.6Å; I40-F42 HydrophobicContact CG2-CZ 3.74Å; F42-T56 CarbonylContact O-C 3.58Å; F42-T56 VanDerWaalsContact O-CA 3.25Å; F42-T56 WeakPolarHBondContact O-CA 3.24Å; F42-A57 PolarHBondContact N-O 3.3Å; F42-A57 PolarHBondContact O-N 3.23Å; F42-L59 HydrophobicContact CD2-CB 4.26Å; F42-L59 HydrophobicContact CD2-CD1 4.03Å; F42-L59 HydrophobicContact CD2-CG 4.38Å; F42-L59 HydrophobicContact CE2-CB 4.03Å; F42-L59 HydrophobicContact CE2-CD1 4.01Å; F42-L59 HydrophobicContact CE2-CG 4.47Å; F42-V61 HydrophobicContact CE2-CG2 4.34Å; F42-M70 HydrophobicContact CE1-CG 4.47Å; F42-M70 HydrophobicContact CE1-SD 4.48Å; F42-M70 HydrophobicContact CZ-CG 3.85Å; F42-M70 HydrophobicContact CZ-SD 3.91Å; F42-V74 HydrophobicContact CB-CG1 4.27Å; F42-V74 HydrophobicContact CD1-CB 4.44Å; F42-V74 HydrophobicContact CD1-CG1 4.02Å; F42-V74 HydrophobicContact CD1-CG2 3.49Å; F42-V74 VanDerWaalsContact CD1-CG2 3.49Å; F42-V74 HydrophobicContact CD2-CG2 3.75Å; F42-V74 HydrophobicContact CE1-CG2 3.34Å; F42-V74 HydrophobicContact CE2-CG2 3.61Å; F42-V74 HydrophobicContact CG-CG1 4.11Å; F42-V74 HydrophobicContact CG-CG2 3.69Å; F42-V74 HydrophobicContact CZ-CG2 3.4Å; F42-I135 CarbonylContact C-O 3.35Å; F42-I135 VanDerWaalsContact CA-O 3.27Å; F42-I135 WeakPolarHBondContact CA-O 3.38Å; F42-I135 HydrophobicContact CD1-CB 3.77Å; F42-I135 HydrophobicContact CD1-CG2 3.94Å; F42-I135 HydrophobicContact CE1-CB 3.8Å; F42-I135 HydrophobicContact CE1-CD1 3.76Å; F42-I135 HydrophobicContact CE1-CG1 4.27Å; F42-I135 HydrophobicContact CE1-CG2 3.88Å; F42-I135 HydrophobicContact CZ-CD1 4.04Å; F42-V137 HydrophobicContact CB-CG2 4.45Å; F42-V137 HydrophobicContact CD1-CG2 4.2Å
43	I	94.1	Very high	76.6	Confident	22 Å²	22	76.1 Å²	76.1	11%	0.113	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.5	174.6	-62.1	167.3	0	0	0	107.4	P54 T56 Q134 I135 H136 V137	I43-P54 HydrophobicContact CG2-CB 3.83Å; I43-P54 HydrophobicContact CG2-CG 4.18Å; I43-T56 HydrophobicContact CG1-CG2 4.18Å; I43-Q134 HydrophobicContact CD1-CB 4.26Å; I43-Q134 HydrophobicContact CD1-CG 4.3Å; I43-I135 PolarHBondContact N-O 2.81Å; I43-H136 WeakPolarHBondContact CD1-CE1 3.46Å; I43-H136 WeakPolarHBondContact CD1-NE2 3.33Å; I43-V137 PolarHBondContact O-N 3.38Å
44	L	91.4	Very high	78.6	Confident	6 Å²	6	73.7 Å²	73.7	3%	0.031	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	153.9	-174.1	-63.1	-176.8	0	0	0	111.5	T46 E55 A57 V74 A78 Y88 V137	L44-T46 PolarHBondContact O-N 2.99Å; L44-E55 HydrophobicContact CB-CB 4.12Å; L44-E55 WeakPolarHBondContact CB-O 3.38Å; L44-E55 HydrophobicContact CD1-CB 4.14Å; L44-E55 PolarHBondContact N-O 2.79Å; L44-A57 HydrophobicContact CD1-CB 4.44Å; L44-V74 HydrophobicContact CD2-CG1 4.38Å; L44-A78 HydrophobicContact CD1-CB 4.06Å; L44-A78 HydrophobicContact CD2-CB 4.11Å; L44-Y88 WeakPolarHBondContact CB-OH 3.43Å; L44-V137 HydrophobicContact CD2-CG2 4.3Å
45	P	86.1	Confident	80.9	Confident	47 Å²	47	69.2 Å²	69.2	31%	0.305	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-13.3	179.4	29.6	-37.7	0	0	0	113.4	F87 Y88 F96 V137	P45-F87 HydrophobicContact CB-CE1 4.42Å; P45-F87 HydrophobicContact CG-CE1 3.72Å; P45-F87 HydrophobicContact CG-CZ 4.27Å; P45-Y88 WeakPolarHBondContact CD-OH 3.32Å; P45-Y88 HydrophobicContact CG-CE1 4.3Å; P45-F96 HydrophobicContact CB-CE1 4.34Å; P45-F96 HydrophobicContact CG-CD1 4.16Å; P45-F96 HydrophobicContact CG-CE1 3.76Å; P45-V137 WeakPolarHBondContact CD-O 3.46Å
46	T	85.4	Confident	82.6	Confident	13 Å²	13	68.2 Å²	68.2	8%	0.08	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	154	179.4	47.1	0	0	0	0	111.4	L44 E55 S82 A84 F87 Y88	L44-T46 PolarHBondContact O-N 2.99Å; T46-E55 VanDerWaalsContact CB-OE2 3.27Å; T46-E55 WeakPolarHBondContact CB-OE2 3.41Å; T46-E55 PolarHBondContact O-N 2.89Å; T46-E55 PolarHBondContact OG1-OE2 3.37Å; T46-S82 PolarHBondContact OG1-OG 3.09Å; T46-A84 HydrophobicContact CG2-CB 3.77Å; T46-F87 HydrophobicContact CG2-CB 4.19Å; T46-F87 HydrophobicContact CG2-CD1 3.68Å; T46-F87 HydrophobicContact CG2-CE1 4.19Å; T46-F87 HydrophobicContact CG2-CG 3.94Å; T46-Y88 HydrophobicContact CG2-CE2 3.67Å; T46-Y88 PolarHBondContact OG1-OH 2.98Å
47	S	82.6	Confident	83.7	Confident	61 Å²	61	62.2 Å²	62.2	43%	0.427	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	151	-179.2	-62	0	0	0	0	111.5	T53	S47-T53 WeakPolarHBondContact CA-O 3.49Å; S47-T53 WeakPolarHBondContact CB-O 3.43Å
48	Q	74	Confident	84	Confident	98 Å²	98	62.5 Å²	62.5	46%	0.458	33%	0.326	S	S	.	.			trans	-64.4	135.7	174.6	-68.2	-176	-7.3	0	0	110.7	I50 S51 K52 T53 E55	Q48-I50 PolarHBondContact O-N 3.47Å; Q48-I50 VanDerWaalsContact O-N 3.1Å; Q48-S51 WeakPolarHBondContact CB-OG 3.31Å; Q48-S51 PolarHBondContact OE1-OG 3.23Å; Q48-S51 VanDerWaalsContact OE1-OG 3.14Å; Q48-K52 PolarHBondContact O-N 3.44Å; Q48-K52 VanDerWaalsContact O-N 3.13Å; Q48-T53 PolarHBondContact N-O 2.92Å; Q48-E55 HydrophobicContact CG-CG 3.95Å
49	R	63.3	Low	84.2	Confident	214 Å²	214	62.2 Å²	62.2	81%	0.808	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.6	-173.2	-70	-175.2	-176	-170.7	1.6	114.5	V83	R49-V83 HydrophobicContact CG-CG2 4.41Å
50	I	61.9	Low	84.1	Confident	173 Å²	173	65.5 Å²	65.5	89%	0.887	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-47	-171.3	-58.9	173	0	0	0	111.9	Q48	Q48-I50 PolarHBondContact O-N 3.47Å; Q48-I50 VanDerWaalsContact O-N 3.1Å
51	S	68.1	Low	83.9	Confident	59 Å²	59	65.7 Å²	65.7	41%	0.413	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-13.3	-174.2	56.9	0	0	0	0	114	Q48 T53	Q48-S51 WeakPolarHBondContact CB-OG 3.31Å; Q48-S51 PolarHBondContact OE1-OG 3.23Å; Q48-S51 VanDerWaalsContact OE1-OG 3.14Å; S51-T53 PolarHBondContact O-N 2.86Å; S51-T53 PolarHBondContact OG-N 3.35Å; S51-T53 PolarHBondContact OG-OG1 2.98Å
52	K	70.9	Confident	83.4	Confident	178 Å²	178	63.9 Å²	63.9	77%	0.774	33%	0.331	S	S	*	.			trans	53	17.4	-168.7	-60.9	-175.5	178.4	-179.8	0	113.9	Q48	Q48-K52 PolarHBondContact O-N 3.44Å; Q48-K52 VanDerWaalsContact O-N 3.13Å
53	T	79.5	Confident	82.8	Confident	66 Å²	66	64 Å²	64	41%	0.405	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-79.3	143.8	172.7	54.7	0	0	0	0	109.5	S47 Q48 S51	S47-T53 WeakPolarHBondContact CA-O 3.49Å; S47-T53 WeakPolarHBondContact CB-O 3.43Å; Q48-T53 PolarHBondContact N-O 2.92Å; S51-T53 PolarHBondContact O-N 2.86Å; S51-T53 PolarHBondContact OG-N 3.35Å; S51-T53 PolarHBondContact OG-OG1 2.98Å
54	P	83.2	Confident	82	Confident	70 Å²	70	64.7 Å²	64.7	46%	0.455	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	141.6	176.5	25.3	-32.3	0	0	0	110.3	I43	I43-P54 HydrophobicContact CG2-CB 3.83Å; I43-P54 HydrophobicContact CG2-CG 4.18Å
55	E	88.9	Confident	81.5	Confident	12 Å²	12	64.6 Å²	64.6	6%	0.056	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	149.2	174.2	-67.5	-178.1	127.3	0	0	110.5	L44 T46 Q48 S82 V83	L44-E55 HydrophobicContact CB-CB 4.12Å; L44-E55 WeakPolarHBondContact CB-O 3.38Å; L44-E55 HydrophobicContact CD1-CB 4.14Å; L44-E55 PolarHBondContact N-O 2.79Å; T46-E55 VanDerWaalsContact CB-OE2 3.27Å; T46-E55 WeakPolarHBondContact CB-OE2 3.41Å; T46-E55 PolarHBondContact O-N 2.89Å; T46-E55 PolarHBondContact OG1-OE2 3.37Å; Q48-E55 HydrophobicContact CG-CG 3.95Å; E55-S82 WeakPolarHBondContact OE2-CB 3.4Å; E55-S82 PolarHBondContact OE2-OG 3.1Å; E55-V83 WeakPolarHBondContact OE1-CG2 3.47Å; E55-V83 PolarHBondContact OE1-N 3.17Å
56	T	90.1	Very high	81.5	Confident	77 Å²	77	63.1 Å²	63.1	47%	0.472	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.3	-179.1	55.5	0	0	0	0	111.3	F42 I43	F42-T56 CarbonylContact O-C 3.58Å; F42-T56 VanDerWaalsContact O-CA 3.25Å; F42-T56 WeakPolarHBondContact O-CA 3.24Å; I43-T56 HydrophobicContact CG1-CG2 4.18Å
57	A	90.1	Very high	81.8	Confident	4 Å²	4	62.8 Å²	62.8	3%	0.033	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.7	175.2	0	0	0	0	0	110.4	F42 L44 R77	F42-A57 PolarHBondContact N-O 3.3Å; F42-A57 PolarHBondContact O-N 3.23Å; L44-A57 HydrophobicContact CD1-CB 4.44Å; A57-R77 HydrophobicContact CB-CG 4.15Å
58	L	91.8	Very high	82.1	Confident	95 Å²	95	64.2 Å²	64.2	50%	0.497	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	125.1	173	-178.1	67.5	0	0	0	109.8	E41 P132	E41-L58 HydrophobicContact CB-CD1 4.5Å; L58-P132 HydrophobicContact CD1-CB 4.03Å; L58-P132 HydrophobicContact CD1-CG 4.14Å
59	L	92	Very high	82.7	Confident	23 Å²	23	62.4 Å²	62.4	12%	0.12	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.9	177.5	-71.6	174.5	0	0	0	111.5	P39 I40 F42 V61 Q73 V74 R77	P39-L59 WeakPolarHBondContact CA-O 3.49Å; I40-L59 PolarHBondContact N-O 3.41Å; I40-L59 PolarHBondContact O-N 3.09Å; F42-L59 HydrophobicContact CD2-CB 4.26Å; F42-L59 HydrophobicContact CD2-CD1 4.03Å; F42-L59 HydrophobicContact CD2-CG 4.38Å; F42-L59 HydrophobicContact CE2-CB 4.03Å; F42-L59 HydrophobicContact CE2-CD1 4.01Å; F42-L59 HydrophobicContact CE2-CG 4.47Å; L59-V61 HydrophobicContact CB-CG2 4.18Å; L59-Q73 HydrophobicContact CD1-CB 4.46Å; L59-V74 HydrophobicContact CD1-CB 4.21Å; L59-V74 HydrophobicContact CD1-CG2 3.62Å; L59-R77 HydrophobicContact CD1-CB 4.36Å; L59-R77 HydrophobicContact CD2-CB 4.08Å; L59-R77 HydrophobicContact CD2-CG 3.91Å; L59-R77 HydrophobicContact CG-CG 4.48Å
60	H	90.2	Very high	84	Confident	108 Å²	108	52.3 Å²	52.3	50%	0.5	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	97.8	171.9	-72.3	80.3	0	0	0	107.9	L37	L37-H60 HydrophobicContact CB-CB 4.26Å
61	V	89.1	Confident	85.4	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.8	-172.2	-173.3	0	0	0	0	109.5	I38 I40 F42 L59 G63 M70 V116	I38-V61 PolarHBondContact N-O 3.13Å; I38-V61 PolarHBondContact O-N 3.4Å; I40-V61 HydrophobicContact CD1-CB 4.44Å; I40-V61 HydrophobicContact CD1-CG2 4.21Å; F42-V61 HydrophobicContact CE2-CG2 4.34Å; L59-V61 HydrophobicContact CB-CG2 4.18Å; V61-G63 PolarHBondContact O-N 3.13Å; V61-M70 HydrophobicContact CG1-CB 4Å; V61-M70 HydrophobicContact CG1-CG 3.88Å; V61-M70 HydrophobicContact CG1-SD 4.19Å; V61-M70 HydrophobicContact CG2-CG 4.04Å; V61-M70 HydrophobicContact CG2-SD 4.38Å; V61-V116 HydrophobicContact CG1-CG1 4.03Å; V61-V116 HydrophobicContact CG1-CG2 4.05Å
62	A	84.6	Confident	86.4	Confident	12 Å²	12	45.1 Å²	45.1	10%	0.099	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	119.7	173.6	0	0	0	0	0	110.5	H64 G65	A62-H64 PolarHBondContact O-N 3.37Å; A62-H64 VanDerWaalsContact O-N 3.14Å; A62-G65 PolarHBondContact O-N 3.36Å
63	G	81.1	Confident	87.3	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.01	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.9	-178.4	0	0	0	0	0	114.9	E36 V61 V115 Q117	E36-G63 PolarHBondContact O-N 2.81Å; E36-G63 VanDerWaalsContact O-N 3.13Å; V61-G63 PolarHBondContact O-N 3.13Å; G63-V115 WeakPolarHBondContact O-CG1 3.4Å; G63-Q117 VanDerWaalsContact O-CB 3.23Å; G63-Q117 WeakPolarHBondContact O-CB 3.38Å; G63-Q117 VanDerWaalsContact O-CG 3.3Å; G63-Q117 WeakPolarHBondContact O-CG 3.48Å; G63-Q117 PolarHBondContact O-N 3.44Å
64	H	77.4	Confident	87.8	Confident	38 Å²	38	37.6 Å²	37.6	18%	0.176	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-2.7	177.6	56.6	-79.4	0	0	0	113.3	M35 A62 S348 F350	M35-H64 VanDerWaalsContact CE-CE1 3.45Å; M35-H64 WeakPolarHBondContact CE-CE1 3.4Å; M35-H64 VanDerWaalsContact CE-NE2 3.34Å; M35-H64 WeakPolarHBondContact CE-NE2 3.28Å; A62-H64 PolarHBondContact O-N 3.37Å; A62-H64 VanDerWaalsContact O-N 3.14Å; H64-S348 PolarHBondContact CD2-O 3.06Å; H64-S348 PolarHBondContact NE2-O 3.36Å; H64-F350 AromaticContact CD2-CD2 3.37Å; H64-F350 WeakPolarHBondContact CD2-CD2 3.29Å; H64-F350 AromaticContact CD2-CE2 3.58Å; H64-F350 AromaticContact NE2-CD2 3.79Å; H64-F350 AromaticContact NE2-CE2 3.45Å; H64-F350 WeakPolarHBondContact NE2-CE2 3.4Å
65	G	81.3	Confident	88.1	Confident	4 Å²	4	35.3 Å²	35.3	4%	0.041	18%	0.184	C	C	.	.	S	Bend	trans	-74.4	169.8	168.5	0	0	0	0	0	111.6	A62 V115 V116	A62-G65 PolarHBondContact O-N 3.36Å; G65-V115 WeakPolarHBondContact O-CA 3.42Å; G65-V116 WeakPolarHBondContact O-CG2 3.5Å; G65-V116 PolarHBondContact O-N 2.98Å
66	N	86.8	Confident	88	Confident	16 Å²	16	39.8 Å²	39.8	9%	0.086	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-100.7	167.3	177.1	69.8	24.1	0	0	0	112.7	E68 Q69 M70 Q114	N66-E68 VanDerWaalsContact C-N 3.29Å; N66-E68 PolarHBondContact O-N 3.27Å; N66-E68 WeakPolarHBondContact OD1-CB 3.31Å; N66-E68 PolarHBondContact OD1-N 3.07Å; N66-Q69 PolarHBondContact O-N 3.31Å; N66-Q69 WeakPolarHBondContact OD1-CB 3.34Å; N66-Q69 WeakPolarHBondContact OD1-CG 3.49Å; N66-Q69 PolarHBondContact OD1-N 3.21Å; N66-M70 PolarHBondContact O-N 3.42Å; N66-Q114 CarbonylContact C-O 3.44Å; N66-Q114 VanDerWaalsContact CA-O 3.29Å; N66-Q114 WeakPolarHBondContact CA-O 3.47Å
67	V	90.3	Very high	87.9	Confident	5 Å²	5	41 Å²	41	3%	0.03	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-36.2	-180	167.8	0	0	0	0	112.2	M70 K71 L98 I109 D111 R112 Q114 L119	V67-M70 HydrophobicContact CG1-CE 4.33Å; V67-M70 HydrophobicContact CG2-CE 4.26Å; V67-M70 WeakPolarHBondContact O-CB 3.29Å; V67-M70 PolarHBondContact O-N 3.13Å; V67-K71 VanDerWaalsContact O-CB 3.31Å; V67-K71 WeakPolarHBondContact O-CB 3.29Å; V67-K71 PolarHBondContact O-N 3.39Å; V67-L98 HydrophobicContact CG1-CD1 4.32Å; V67-I109 HydrophobicContact CB-CG2 4.3Å; V67-I109 HydrophobicContact CG1-CG2 3.71Å; V67-I109 HydrophobicContact CG2-CG2 3.51Å; V67-D111 WeakPolarHBondContact CB-O 3.44Å; V67-R112 PolarHBondContact N-O 2.76Å; V67-Q114 HydrophobicContact CG2-CB 4.08Å; V67-Q114 WeakPolarHBondContact CG2-O 3.48Å; V67-Q114 PolarHBondContact N-O 3.23Å; V67-L119 HydrophobicContact CG2-CD2 4Å
68	E	89.1	Confident	87.8	Confident	91 Å²	91	40.9 Å²	40.9	43%	0.425	20%	0.203	S	C	.	.	H	α-helix	trans	-60.6	-47.2	177.3	-174.7	173.1	-154.4	0	0	112	N66 K71 A72 R112	N66-E68 VanDerWaalsContact C-N 3.29Å; N66-E68 PolarHBondContact O-N 3.27Å; N66-E68 WeakPolarHBondContact OD1-CB 3.31Å; N66-E68 PolarHBondContact OD1-N 3.07Å; E68-K71 WeakPolarHBondContact O-CB 3.28Å; E68-K71 PolarHBondContact O-N 2.98Å; E68-A72 PolarHBondContact O-N 2.96Å; E68-R112 HydrophobicContact CB-CB 4.2Å; E68-R112 PolarHBondContact N-O 3.21Å
69	Q	87.6	Confident	87.6	Confident	61 Å²	61	38.6 Å²	38.6	29%	0.285	19%	0.191	S	C	.	.	H	α-helix	trans	-63	-43.9	175.1	-70.7	166.2	-19.8	0	0	111.4	N66 K71 A72 Q73	N66-Q69 PolarHBondContact O-N 3.31Å; N66-Q69 WeakPolarHBondContact OD1-CB 3.34Å; N66-Q69 WeakPolarHBondContact OD1-CG 3.49Å; N66-Q69 PolarHBondContact OD1-N 3.21Å; Q69-K71 VanDerWaalsContact C-N 3.29Å; Q69-K71 PolarHBondContact O-N 2.92Å; Q69-A72 PolarHBondContact O-N 2.83Å; Q69-Q73 WeakPolarHBondContact O-CG 3.46Å; Q69-Q73 PolarHBondContact O-N 2.89Å
70	M	90.6	Very high	87.3	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-57	-46	174.2	-179.7	177	67.7	0	0	110.6	I40 F42 V61 N66 V67 A72 Q73 V74 L98 I109 V116 L119 I135	I40-M70 HydrophobicContact CD1-SD 4.19Å; F42-M70 HydrophobicContact CE1-CG 4.47Å; F42-M70 HydrophobicContact CE1-SD 4.48Å; F42-M70 HydrophobicContact CZ-CG 3.85Å; F42-M70 HydrophobicContact CZ-SD 3.91Å; V61-M70 HydrophobicContact CG1-CB 4Å; V61-M70 HydrophobicContact CG1-CG 3.88Å; V61-M70 HydrophobicContact CG1-SD 4.19Å; V61-M70 HydrophobicContact CG2-CG 4.04Å; V61-M70 HydrophobicContact CG2-SD 4.38Å; N66-M70 PolarHBondContact O-N 3.42Å; V67-M70 HydrophobicContact CG1-CE 4.33Å; V67-M70 HydrophobicContact CG2-CE 4.26Å; V67-M70 WeakPolarHBondContact O-CB 3.29Å; V67-M70 PolarHBondContact O-N 3.13Å; M70-A72 PolarHBondContact O-N 2.97Å; M70-Q73 PolarHBondContact O-N 3Å; M70-V74 WeakPolarHBondContact O-CG2 3.47Å; M70-V74 PolarHBondContact O-N 2.97Å; M70-L98 HydrophobicContact CE-CD1 3.81Å; M70-I109 HydrophobicContact CE-CD1 4.42Å; M70-V116 HydrophobicContact CB-CG2 4.11Å; M70-V116 HydrophobicContact SD-CG1 4.26Å; M70-V116 HydrophobicContact SD-CG2 4.08Å; M70-L119 HydrophobicContact CE-CD1 4.13Å; M70-I135 HydrophobicContact CE-CD1 4.38Å; M70-I135 HydrophobicContact SD-CD1 4.44Å
71	K	90.7	Very high	86.9	Confident	39 Å²	39	42 Å²	42	17%	0.17	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-40.8	178.5	-163.4	-178.9	-168.9	-169.6	0	112	V67 E68 Q69 V74 W75 P93 F96 L98	V67-K71 VanDerWaalsContact O-CB 3.31Å; V67-K71 WeakPolarHBondContact O-CB 3.29Å; V67-K71 PolarHBondContact O-N 3.39Å; E68-K71 WeakPolarHBondContact O-CB 3.28Å; E68-K71 PolarHBondContact O-N 2.98Å; Q69-K71 VanDerWaalsContact C-N 3.29Å; Q69-K71 PolarHBondContact O-N 2.92Å; K71-V74 PolarHBondContact O-N 3.1Å; K71-W75 WeakPolarHBondContact O-CB 3.47Å; K71-W75 PolarHBondContact O-N 3.38Å; K71-P93 HydrophobicContact CD-CB 4.42Å; K71-P93 WeakPolarHBondContact CE-O 3.2Å; K71-P93 HydrophobicContact CG-CB 4.37Å; K71-P93 PolarHBondContact NZ-O 2.96Å; K71-F96 WeakPolarHBondContact CE-O 3.49Å; K71-F96 PolarHBondContact NZ-O 3.33Å; K71-L98 HydrophobicContact CB-CD1 4.24Å; K71-L98 HydrophobicContact CG-CD1 4.27Å
72	A	89.4	Confident	86.6	Confident	42 Å²	42	42.3 Å²	42.3	35%	0.347	21%	0.213	S	C	.	.	H	α-helix	trans	-65	-42.3	175.2	0	0	0	0	0	112.3	E68 Q69 M70 W75 L76	E68-A72 PolarHBondContact O-N 2.96Å; Q69-A72 PolarHBondContact O-N 2.83Å; M70-A72 PolarHBondContact O-N 2.97Å; A72-W75 WeakPolarHBondContact O-CB 3.4Å; A72-W75 PolarHBondContact O-N 3.49Å; A72-L76 WeakPolarHBondContact O-CG 3.19Å; A72-L76 PolarHBondContact O-N 3.38Å
73	Q	90	Very high	86.3	Confident	82 Å²	82	45.5 Å²	45.5	38%	0.383	23%	0.231	S	C	.	.	H	α-helix	trans	-62.9	-42.4	175.8	-72.3	175.8	10.5	0	0	111.9	L59 Q69 M70 W75 R77	L59-Q73 HydrophobicContact CD1-CB 4.46Å; Q69-Q73 WeakPolarHBondContact O-CG 3.46Å; Q69-Q73 PolarHBondContact O-N 2.89Å; M70-Q73 PolarHBondContact O-N 3Å; Q73-W75 VanDerWaalsContact C-N 3.29Å; Q73-W75 PolarHBondContact O-N 2.87Å; Q73-R77 WeakPolarHBondContact O-CB 3.3Å; Q73-R77 PolarHBondContact O-N 3.38Å
74	V	89.9	Confident	86.3	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.024	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-43.4	173.2	175.5	0	0	0	0	110.8	F42 L44 L59 M70 K71 R77 A78 V137	F42-V74 HydrophobicContact CB-CG1 4.27Å; F42-V74 HydrophobicContact CD1-CB 4.44Å; F42-V74 HydrophobicContact CD1-CG1 4.02Å; F42-V74 HydrophobicContact CD1-CG2 3.49Å; F42-V74 VanDerWaalsContact CD1-CG2 3.49Å; F42-V74 HydrophobicContact CD2-CG2 3.75Å; F42-V74 HydrophobicContact CE1-CG2 3.34Å; F42-V74 HydrophobicContact CE2-CG2 3.61Å; F42-V74 HydrophobicContact CG-CG1 4.11Å; F42-V74 HydrophobicContact CG-CG2 3.69Å; F42-V74 HydrophobicContact CZ-CG2 3.4Å; L44-V74 HydrophobicContact CD2-CG1 4.38Å; L59-V74 HydrophobicContact CD1-CB 4.21Å; L59-V74 HydrophobicContact CD1-CG2 3.62Å; M70-V74 WeakPolarHBondContact O-CG2 3.47Å; M70-V74 PolarHBondContact O-N 2.97Å; K71-V74 PolarHBondContact O-N 3.1Å; V74-R77 PolarHBondContact O-N 3.47Å; V74-A78 WeakPolarHBondContact O-CB 3.19Å; V74-A78 PolarHBondContact O-N 2.89Å; V74-V137 HydrophobicContact CG1-CG2 3.89Å
75	W	88.2	Confident	86.4	Confident	23 Å²	23	46.4 Å²	46.4	9%	0.087	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-48.5	-179.7	-162.3	-101.9	0	0	0	113	K71 A72 Q73 R77 A78 L79 Y88 L91 P93 F96	K71-W75 WeakPolarHBondContact O-CB 3.47Å; K71-W75 PolarHBondContact O-N 3.38Å; A72-W75 WeakPolarHBondContact O-CB 3.4Å; A72-W75 PolarHBondContact O-N 3.49Å; Q73-W75 VanDerWaalsContact C-N 3.29Å; Q73-W75 PolarHBondContact O-N 2.87Å; W75-R77 VanDerWaalsContact C-N 3.28Å; W75-R77 PolarHBondContact O-N 3.15Å; W75-A78 PolarHBondContact O-N 2.99Å; W75-L79 PolarHBondContact O-N 3Å; W75-Y88 HydrophobicContact CD2-CD1 4.38Å; W75-Y88 HydrophobicContact CE3-CD1 4.03Å; W75-Y88 AromaticContact CH2-CD1 3.41Å; W75-Y88 HydrophobicContact CH2-CD1 3.41Å; W75-Y88 VanDerWaalsContact CH2-CD1 3.41Å; W75-Y88 HydrophobicContact CH2-CE1 4.18Å; W75-Y88 HydrophobicContact CH2-CG 4.25Å; W75-Y88 AromaticContact CZ2-CD1 3.85Å; W75-Y88 HydrophobicContact CZ2-CD1 3.85Å; W75-Y88 HydrophobicContact CZ2-CG 4.37Å; W75-Y88 WeakPolarHBondContact CZ2-O 3.44Å; W75-Y88 AromaticContact CZ3-CD1 3.52Å; W75-Y88 HydrophobicContact CZ3-CD1 3.52Å; W75-Y88 AromaticContact CZ3-CE1 3.95Å; W75-Y88 HydrophobicContact CZ3-CE1 3.95Å; W75-L91 HydrophobicContact CH2-CB 4.33Å; W75-L91 VanDerWaalsContact CZ2-O 3.23Å; W75-L91 WeakPolarHBondContact CZ2-O 3.25Å; W75-P93 HydrophobicContact CB-CG 4.03Å; W75-P93 HydrophobicContact CD2-CB 4.43Å; W75-P93 HydrophobicContact CD2-CG 3.98Å; W75-P93 HydrophobicContact CG-CB 4.4Å; W75-P93 HydrophobicContact CG-CG 3.67Å; W75-F96 HydrophobicContact CE3-CD2 4.25Å; W75-F96 HydrophobicContact CE3-CE2 4.46Å; W75-F96 AromaticContact CH2-CD2 3.62Å; W75-F96 HydrophobicContact CH2-CD2 3.62Å; W75-F96 AromaticContact CH2-CE2 3.04Å; W75-F96 HydrophobicContact CH2-CE2 3.04Å; W75-F96 AromaticContact CH2-CZ 3.63Å; W75-F96 HydrophobicContact CH2-CZ 3.63Å; W75-F96 HydrophobicContact CZ2-CE2 4.18Å; W75-F96 AromaticContact CZ3-CD2 3.27Å; W75-F96 HydrophobicContact CZ3-CD2 3.27Å; W75-F96 HydrophobicContact CZ3-CE1 4.47Å; W75-F96 AromaticContact CZ3-CE2 3.21Å; W75-F96 HydrophobicContact CZ3-CE2 3.21Å; W75-F96 AromaticContact CZ3-CG 4Å; W75-F96 HydrophobicContact CZ3-CG 4Å; W75-F96 AromaticContact CZ3-CZ 3.84Å; W75-F96 HydrophobicContact CZ3-CZ 3.84Å
76	L	88.4	Confident	86.3	Confident	106 Å²	106	53.3 Å²	53.3	56%	0.555	28%	0.276	S	S	*	.	H	α-helix	trans	-59.2	-42.8	176	-71.4	172.2	0	0	0	110.9	A72 A78 L79 E80	A72-L76 WeakPolarHBondContact O-CG 3.19Å; A72-L76 PolarHBondContact O-N 3.38Å; L76-A78 PolarHBondContact O-N 2.74Å; L76-L79 PolarHBondContact O-N 2.95Å; L76-E80 WeakPolarHBondContact O-CG 3.4Å; L76-E80 PolarHBondContact O-N 2.79Å; L76-E80 VanDerWaalsContact O-N 3.16Å
77	R	88.2	Confident	86.1	Confident	102 Å²	102	54.7 Å²	54.7	39%	0.385	28%	0.282	S	S	.	.	H	α-helix	trans	-63.4	-42.6	176.9	-168.5	61.4	172	162.2	0.7	112.1	A57 L59 Q73 V74 W75 L79 E80 T81	A57-R77 HydrophobicContact CB-CG 4.15Å; L59-R77 HydrophobicContact CD1-CB 4.36Å; L59-R77 HydrophobicContact CD2-CB 4.08Å; L59-R77 HydrophobicContact CD2-CG 3.91Å; L59-R77 HydrophobicContact CG-CG 4.48Å; Q73-R77 WeakPolarHBondContact O-CB 3.3Å; Q73-R77 PolarHBondContact O-N 3.38Å; V74-R77 PolarHBondContact O-N 3.47Å; W75-R77 VanDerWaalsContact C-N 3.28Å; W75-R77 PolarHBondContact O-N 3.15Å; R77-L79 VanDerWaalsContact C-N 3.33Å; R77-L79 PolarHBondContact O-N 2.82Å; R77-E80 IonicContact NH1-OE2 2.71Å; R77-E80 PolarHBondContact NH1-OE2 3.26Å; R77-E80 PolarHBondContact O-N 3.26Å; R77-T81 HydrophobicContact CG-CG2 4.43Å; R77-T81 PolarHBondContact O-N 3.25Å; R77-T81 PolarHBondContact O-OG1 3.05Å
78	A	87.1	Confident	85.8	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-39.4	177.7	0	0	0	0	0	112.4	L44 V74 W75 L76 E80 T81 S82 Y88	L44-A78 HydrophobicContact CD1-CB 4.06Å; L44-A78 HydrophobicContact CD2-CB 4.11Å; V74-A78 WeakPolarHBondContact O-CB 3.19Å; V74-A78 PolarHBondContact O-N 2.89Å; W75-A78 PolarHBondContact O-N 2.99Å; L76-A78 PolarHBondContact O-N 2.74Å; A78-E80 VanDerWaalsContact C-N 3.31Å; A78-E80 PolarHBondContact O-N 3.21Å; A78-T81 PolarHBondContact O-N 2.63Å; A78-S82 WeakPolarHBondContact O-CB 3.35Å; A78-S82 PolarHBondContact O-N 3.23Å; A78-Y88 HydrophobicContact CB-CD1 3.82Å; A78-Y88 HydrophobicContact CB-CE1 3.65Å; A78-Y88 HydrophobicContact CB-CE2 4.38Å; A78-Y88 HydrophobicContact CB-CG 4.29Å
79	L	86.8	Confident	85.5	Confident	48 Å²	48	56.9 Å²	56.9	25%	0.251	29%	0.291	S	S	.	.	H	α-helix	trans	-62	-36.9	174	-77	165.8	0	0	0	112.7	W75 L76 R77	W75-L79 PolarHBondContact O-N 3Å; L76-L79 PolarHBondContact O-N 2.95Å; R77-L79 VanDerWaalsContact C-N 3.33Å; R77-L79 PolarHBondContact O-N 2.82Å
80	E	85.9	Confident	85.2	Confident	140 Å²	140	63 Å²	63	65%	0.654	31%	0.312	S	S	*	.	H	α-helix	trans	-74.8	-40.5	178.1	-70.6	174.5	178.6	0	0	113.2	L76 R77 A78	L76-E80 WeakPolarHBondContact O-CG 3.4Å; L76-E80 PolarHBondContact O-N 2.79Å; L76-E80 VanDerWaalsContact O-N 3.16Å; R77-E80 IonicContact NH1-OE2 2.71Å; R77-E80 PolarHBondContact NH1-OE2 3.26Å; R77-E80 PolarHBondContact O-N 3.26Å; A78-E80 VanDerWaalsContact C-N 3.31Å; A78-E80 PolarHBondContact O-N 3.21Å
81	T	82.4	Confident	84.8	Confident	62 Å²	62	65 Å²	65	38%	0.38	32%	0.322	S	S	.	.	H	α-helix	trans	-109	-17.5	-164.2	63.3	0	0	0	0	115.3	R77 A78	R77-T81 HydrophobicContact CG-CG2 4.43Å; R77-T81 PolarHBondContact O-N 3.25Å; R77-T81 PolarHBondContact O-OG1 3.05Å; A78-T81 PolarHBondContact O-N 2.63Å
82	S	82.3	Confident	84.4	Confident	11 Å²	11	64.2 Å²	64.2	8%	0.077	33%	0.325	C	S	.	.			trans	-76.9	138.5	-176.5	177.4	0	0	0	0	112.5	T46 E55 A78 A84 A85 Y88	T46-S82 PolarHBondContact OG1-OG 3.09Å; E55-S82 WeakPolarHBondContact OE2-CB 3.4Å; E55-S82 PolarHBondContact OE2-OG 3.1Å; A78-S82 WeakPolarHBondContact O-CB 3.35Å; A78-S82 PolarHBondContact O-N 3.23Å; S82-A84 PolarHBondContact O-N 3.5Å; S82-A84 VanDerWaalsContact O-N 3.15Å; S82-A84 PolarHBondContact OG-N 3.18Å; S82-A85 PolarHBondContact O-N 2.94Å; S82-Y88 WeakPolarHBondContact OG-CE2 3.14Å
83	V	79	Confident	84.1	Confident	78 Å²	78	64.2 Å²	64.2	47%	0.473	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-1.2	170.9	-62.1	0	0	0	0	113.5	R49 E55	R49-V83 HydrophobicContact CG-CG2 4.41Å; E55-V83 WeakPolarHBondContact OE1-CG2 3.47Å; E55-V83 PolarHBondContact OE1-N 3.17Å
84	A	81.2	Confident	83.7	Confident	30 Å²	30	65.7 Å²	65.7	25%	0.248	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	39	177.9	0	0	0	0	0	111.9	T46 S82 E86 F87	T46-A84 HydrophobicContact CG2-CB 3.77Å; S82-A84 PolarHBondContact O-N 3.5Å; S82-A84 VanDerWaalsContact O-N 3.15Å; S82-A84 PolarHBondContact OG-N 3.18Å; A84-E86 PolarHBondContact O-N 3.02Å; A84-F87 HydrophobicContact CB-CB 4.47Å; A84-F87 WeakPolarHBondContact O-CB 3.46Å; A84-F87 PolarHBondContact O-N 3.17Å
85	A	78.2	Confident	83.5	Confident	29 Å²	29	70 Å²	70	24%	0.24	35%	0.352	C	S	.	.	H	α-helix	trans	-48.9	-34.2	-179.9	0	0	0	0	0	114.5	S82 F87 Y88 H89	S82-A85 PolarHBondContact O-N 2.94Å; A85-F87 PolarHBondContact O-N 2.81Å; A85-Y88 CarbonylContact O-C 3.59Å; A85-Y88 PolarHBondContact O-N 3.45Å; A85-H89 PolarHBondContact O-CD2 2.95Å; A85-H89 VanDerWaalsContact O-CD2 3.23Å; A85-H89 PolarHBondContact O-N 2.73Å
86	E	79.7	Confident	83.5	Confident	148 Å²	148	69 Å²	69	69%	0.692	35%	0.348	S	S	*	.	H	α-helix	trans	-60.2	-25.4	174.8	-68.5	-175	175.4	0	0	114.5	A84 R90	A84-E86 PolarHBondContact O-N 3.02Å; E86-R90 WeakPolarHBondContact O-CG 3.45Å; E86-R90 PolarHBondContact O-N 2.89Å; E86-R90 PolarHBondContact O-NE 3.34Å; E86-R90 VanDerWaalsContact O-NE 3.15Å
87	F	83.8	Confident	83.6	Confident	45 Å²	45	64.9 Å²	64.9	20%	0.197	33%	0.326	C	S	.	.	H	α-helix	trans	-66.2	-45.2	171.7	174.1	-95.7	0	0	0	110.5	P45 T46 A84 A85 R90 L91 F96	P45-F87 HydrophobicContact CB-CE1 4.42Å; P45-F87 HydrophobicContact CG-CE1 3.72Å; P45-F87 HydrophobicContact CG-CZ 4.27Å; T46-F87 HydrophobicContact CG2-CB 4.19Å; T46-F87 HydrophobicContact CG2-CD1 3.68Å; T46-F87 HydrophobicContact CG2-CE1 4.19Å; T46-F87 HydrophobicContact CG2-CG 3.94Å; A84-F87 HydrophobicContact CB-CB 4.47Å; A84-F87 WeakPolarHBondContact O-CB 3.46Å; A84-F87 PolarHBondContact O-N 3.17Å; A85-F87 PolarHBondContact O-N 2.81Å; F87-R90 PolarHBondContact O-N 2.98Å; F87-L91 HydrophobicContact CD2-CD1 4.43Å; F87-L91 HydrophobicContact CE1-CD1 4.29Å; F87-L91 HydrophobicContact CE2-CD1 3.84Å; F87-L91 HydrophobicContact CZ-CD1 3.77Å; F87-L91 PolarHBondContact O-N 2.77Å; F87-F96 AromaticContact CE1-CE1 3.66Å; F87-F96 HydrophobicContact CE1-CE1 3.66Å; F87-F96 AromaticContact CE1-CZ 3.5Å; F87-F96 HydrophobicContact CE1-CZ 3.5Å; F87-F96 VanDerWaalsContact CE1-CZ 3.5Å; F87-F96 AromaticContact CZ-CE1 3.75Å; F87-F96 HydrophobicContact CZ-CE1 3.75Å; F87-F96 AromaticContact CZ-CZ 3.7Å; F87-F96 HydrophobicContact CZ-CZ 3.7Å
88	Y	82.6	Confident	83.9	Confident	3 Å²	3	60.2 Å²	60.2	1%	0.012	31%	0.309	C	S	.	.	H	α-helix	trans	-76	-21	179.8	-60.1	-85.5	0	0	0	113.2	L44 P45 T46 W75 A78 S82 A85	L44-Y88 WeakPolarHBondContact CB-OH 3.43Å; P45-Y88 WeakPolarHBondContact CD-OH 3.32Å; P45-Y88 HydrophobicContact CG-CE1 4.3Å; T46-Y88 HydrophobicContact CG2-CE2 3.67Å; T46-Y88 PolarHBondContact OG1-OH 2.98Å; W75-Y88 HydrophobicContact CD2-CD1 4.38Å; W75-Y88 HydrophobicContact CE3-CD1 4.03Å; W75-Y88 AromaticContact CH2-CD1 3.41Å; W75-Y88 HydrophobicContact CH2-CD1 3.41Å; W75-Y88 VanDerWaalsContact CH2-CD1 3.41Å; W75-Y88 HydrophobicContact CH2-CE1 4.18Å; W75-Y88 HydrophobicContact CH2-CG 4.25Å; W75-Y88 AromaticContact CZ2-CD1 3.85Å; W75-Y88 HydrophobicContact CZ2-CD1 3.85Å; W75-Y88 HydrophobicContact CZ2-CG 4.37Å; W75-Y88 WeakPolarHBondContact CZ2-O 3.44Å; W75-Y88 AromaticContact CZ3-CD1 3.52Å; W75-Y88 HydrophobicContact CZ3-CD1 3.52Å; W75-Y88 AromaticContact CZ3-CE1 3.95Å; W75-Y88 HydrophobicContact CZ3-CE1 3.95Å; A78-Y88 HydrophobicContact CB-CD1 3.82Å; A78-Y88 HydrophobicContact CB-CE1 3.65Å; A78-Y88 HydrophobicContact CB-CE2 4.38Å; A78-Y88 HydrophobicContact CB-CG 4.29Å; S82-Y88 WeakPolarHBondContact OG-CE2 3.14Å; A85-Y88 CarbonylContact O-C 3.59Å; A85-Y88 PolarHBondContact O-N 3.45Å
89	H	82.6	Confident	84.3	Confident	139 Å²	139	60.9 Å²	60.9	64%	0.644	31%	0.313	S	S	*	.	H	α-helix	trans	-75.8	-26.9	171	-78	-63.8	0	0	0	113.4	A85	A85-H89 PolarHBondContact O-CD2 2.95Å; A85-H89 VanDerWaalsContact O-CD2 3.23Å; A85-H89 PolarHBondContact O-N 2.73Å
90	R	82.3	Confident	84.7	Confident	190 Å²	190	58.7 Å²	58.7	72%	0.717	30%	0.301	S	S	*	.	H	α-helix	trans	-86.2	-23.3	-178.2	-77.1	-175.9	-73.6	179	-4.5	114	E86 F87	E86-R90 WeakPolarHBondContact O-CG 3.45Å; E86-R90 PolarHBondContact O-N 2.89Å; E86-R90 PolarHBondContact O-NE 3.34Å; E86-R90 VanDerWaalsContact O-NE 3.15Å; F87-R90 PolarHBondContact O-N 2.98Å
91	L	82.5	Confident	85	Confident	43 Å²	43	56.7 Å²	56.7	23%	0.225	29%	0.292	C	S	.	.	S	Bend	trans	-114.9	164.9	-179.8	-63	171.7	0	0	0	109.4	W75 F87 H95 F96	W75-L91 HydrophobicContact CH2-CB 4.33Å; W75-L91 VanDerWaalsContact CZ2-O 3.23Å; W75-L91 WeakPolarHBondContact CZ2-O 3.25Å; F87-L91 HydrophobicContact CD2-CD1 4.43Å; F87-L91 HydrophobicContact CE1-CD1 4.29Å; F87-L91 HydrophobicContact CE2-CD1 3.84Å; F87-L91 HydrophobicContact CZ-CD1 3.77Å; F87-L91 PolarHBondContact O-N 2.77Å; L91-H95 HydrophobicContact CB-CB 4.35Å; L91-H95 HydrophobicContact CD2-CB 4.42Å; L91-F96 HydrophobicContact CB-CE2 3.81Å; L91-F96 HydrophobicContact CB-CZ 4.09Å; L91-F96 HydrophobicContact CD1-CE2 4.14Å; L91-F96 HydrophobicContact CD1-CZ 3.62Å
92	G	81.8	Confident	85.4	Confident	22 Å²	22	55.8 Å²	55.8	23%	0.227	28%	0.283	C	S	.	.			trans	-113.5	166.9	173.3	0	0	0	0	0	111.8	D94 H95 F96	G92-D94 PolarHBondContact O-N 2.86Å; G92-D94 VanDerWaalsContact O-N 3.07Å; G92-H95 PolarHBondContact N-ND1 3.4Å; G92-H95 VanDerWaalsContact N-ND1 3.15Å; G92-H95 WeakPolarHBondContact O-CB 3.28Å; G92-H95 PolarHBondContact O-N 3.21Å; G92-H95 PolarHBondContact O-ND1 2.87Å; G92-F96 WeakPolarHBondContact O-CD2 3.24Å; G92-F96 WeakPolarHBondContact O-CE2 3.43Å
93	P	82.4	Confident	85.7	Confident	42 Å²	42	63.6 Å²	63.6	27%	0.273	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-49.4	-37.6	176.8	-24	29.9	0	0	0	113.2	K71 W75 H95 F96	K71-P93 HydrophobicContact CD-CB 4.42Å; K71-P93 WeakPolarHBondContact CE-O 3.2Å; K71-P93 HydrophobicContact CG-CB 4.37Å; K71-P93 PolarHBondContact NZ-O 2.96Å; W75-P93 HydrophobicContact CB-CG 4.03Å; W75-P93 HydrophobicContact CD2-CB 4.43Å; W75-P93 HydrophobicContact CD2-CG 3.98Å; W75-P93 HydrophobicContact CG-CB 4.4Å; W75-P93 HydrophobicContact CG-CG 3.67Å; P93-H95 PolarHBondContact O-N 2.78Å; P93-H95 VanDerWaalsContact O-N 3.13Å; P93-F96 PolarHBondContact O-N 2.88Å; P93-F96 VanDerWaalsContact O-N 3.13Å
94	D	82.7	Confident	86.1	Confident	113 Å²	113	62.5 Å²	62.5	60%	0.604	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-65.8	-14.4	-178.3	-64	-33.3	0	0	0	115.1	G92 F96	G92-D94 PolarHBondContact O-N 2.86Å; G92-D94 VanDerWaalsContact O-N 3.07Å; D94-F96 PolarHBondContact O-N 2.97Å
95	H	86.3	Confident	86.5	Confident	94 Å²	94	66.1 Å²	66.1	44%	0.435	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-81.5	4.3	175.9	-61.1	79.6	0	0	0	112.9	L91 G92 P93 R140	L91-H95 HydrophobicContact CB-CB 4.35Å; L91-H95 HydrophobicContact CD2-CB 4.42Å; G92-H95 PolarHBondContact N-ND1 3.4Å; G92-H95 VanDerWaalsContact N-ND1 3.15Å; G92-H95 WeakPolarHBondContact O-CB 3.28Å; G92-H95 PolarHBondContact O-N 3.21Å; G92-H95 PolarHBondContact O-ND1 2.87Å; P93-H95 PolarHBondContact O-N 2.78Å; P93-H95 VanDerWaalsContact O-N 3.13Å; H95-R140 WeakPolarHBondContact O-CB 3.23Å; H95-R140 PolarHBondContact O-N 2.85Å
96	F	87.3	Confident	87.2	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.009	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148.6	-175.1	-59	-92.6	0	0	0	112.6	P45 K71 W75 F87 L91 G92 P93 D94 V137 V138 Q139	P45-F96 HydrophobicContact CB-CE1 4.34Å; P45-F96 HydrophobicContact CG-CD1 4.16Å; P45-F96 HydrophobicContact CG-CE1 3.76Å; K71-F96 WeakPolarHBondContact CE-O 3.49Å; K71-F96 PolarHBondContact NZ-O 3.33Å; W75-F96 HydrophobicContact CE3-CD2 4.25Å; W75-F96 HydrophobicContact CE3-CE2 4.46Å; W75-F96 AromaticContact CH2-CD2 3.62Å; W75-F96 HydrophobicContact CH2-CD2 3.62Å; W75-F96 AromaticContact CH2-CE2 3.04Å; W75-F96 HydrophobicContact CH2-CE2 3.04Å; W75-F96 AromaticContact CH2-CZ 3.63Å; W75-F96 HydrophobicContact CH2-CZ 3.63Å; W75-F96 HydrophobicContact CZ2-CE2 4.18Å; W75-F96 AromaticContact CZ3-CD2 3.27Å; W75-F96 HydrophobicContact CZ3-CD2 3.27Å; W75-F96 HydrophobicContact CZ3-CE1 4.47Å; W75-F96 AromaticContact CZ3-CE2 3.21Å; W75-F96 HydrophobicContact CZ3-CE2 3.21Å; W75-F96 AromaticContact CZ3-CG 4Å; W75-F96 HydrophobicContact CZ3-CG 4Å; W75-F96 AromaticContact CZ3-CZ 3.84Å; W75-F96 HydrophobicContact CZ3-CZ 3.84Å; F87-F96 AromaticContact CE1-CE1 3.66Å; F87-F96 HydrophobicContact CE1-CE1 3.66Å; F87-F96 AromaticContact CE1-CZ 3.5Å; F87-F96 HydrophobicContact CE1-CZ 3.5Å; F87-F96 VanDerWaalsContact CE1-CZ 3.5Å; F87-F96 AromaticContact CZ-CE1 3.75Å; F87-F96 HydrophobicContact CZ-CE1 3.75Å; F87-F96 AromaticContact CZ-CZ 3.7Å; F87-F96 HydrophobicContact CZ-CZ 3.7Å; L91-F96 HydrophobicContact CB-CE2 3.81Å; L91-F96 HydrophobicContact CB-CZ 4.09Å; L91-F96 HydrophobicContact CD1-CE2 4.14Å; L91-F96 HydrophobicContact CD1-CZ 3.62Å; G92-F96 WeakPolarHBondContact O-CD2 3.24Å; G92-F96 WeakPolarHBondContact O-CE2 3.43Å; P93-F96 PolarHBondContact O-N 2.88Å; P93-F96 VanDerWaalsContact O-N 3.13Å; D94-F96 PolarHBondContact O-N 2.97Å; F96-V137 HydrophobicContact CB-CG1 3.88Å; F96-V137 HydrophobicContact CD1-CG1 3.97Å; F96-V137 HydrophobicContact CG-CG1 4.1Å; F96-V138 CarbonylContact C-O 3.34Å; F96-V138 VanDerWaalsContact CA-O 3.23Å; F96-V138 WeakPolarHBondContact CA-O 3.44Å; F96-Q139 HydrophobicContact CD1-CB 4.11Å; F96-Q139 HydrophobicContact CE1-CB 3.84Å; F96-Q139 HydrophobicContact CE1-CG 4.13Å
97	L	91.4	Very high	87.9	Confident	20 Å²	20	64 Å²	64	11%	0.105	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	147.2	172	-51.7	-176.8	0	0	0	109.1	L99 E108 V137 V138 R140 P324	L97-L99 HydrophobicContact CB-CD2 3.91Å; L97-L99 HydrophobicContact CB-CG 4.18Å; L97-L99 HydrophobicContact CD1-CD2 4.41Å; L97-E108 WeakPolarHBondContact CD2-OE1 3.48Å; L97-V137 WeakPolarHBondContact O-CA 3.47Å; L97-V138 PolarHBondContact N-O 3.11Å; L97-V138 PolarHBondContact O-N 2.89Å; L97-R140 HydrophobicContact CD2-CB 4.38Å; L97-R140 VanDerWaalsContact CD2-NE 3.33Å; L97-R140 VanDerWaalsContact CD2-NH2 3.33Å; L97-R140 HydrophobicContact CG-CB 4.41Å; L97-P324 HydrophobicContact CD1-CG 4.26Å
98	L	94.5	Very high	88.4	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.9	168.9	-63.3	-176	0	0	0	107.9	V67 M70 K71 E108 I109 I135 V137	V67-L98 HydrophobicContact CG1-CD1 4.32Å; M70-L98 HydrophobicContact CE-CD1 3.81Å; K71-L98 HydrophobicContact CB-CD1 4.24Å; K71-L98 HydrophobicContact CG-CD1 4.27Å; L98-E108 WeakPolarHBondContact O-CA 3.3Å; L98-I109 HydrophobicContact CB-CB 4.06Å; L98-I109 HydrophobicContact CB-CD1 4.32Å; L98-I109 PolarHBondContact O-N 3.39Å; L98-I135 HydrophobicContact CB-CG2 3.94Å; L98-I135 HydrophobicContact CD2-CG2 4.18Å; L98-V137 HydrophobicContact CD2-CG2 3.86Å
99	L	95.1	Very high	88.9	Confident	15 Å²	15	62.5 Å²	62.5	8%	0.079	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.8	-175.4	-53.5	-173.2	0	0	0	111.7	L97 W106 Y107 E108 I135 H136 V138 P324	L97-L99 HydrophobicContact CB-CD2 3.91Å; L97-L99 HydrophobicContact CB-CG 4.18Å; L97-L99 HydrophobicContact CD1-CD2 4.41Å; L99-W106 HydrophobicContact CB-CE3 3.85Å; L99-W106 HydrophobicContact CB-CZ3 4.16Å; L99-W106 HydrophobicContact CD1-CE3 4.47Å; L99-Y107 CarbonylContact C-O 3.59Å; L99-Y107 VanDerWaalsContact CA-O 3.22Å; L99-Y107 WeakPolarHBondContact CA-O 3.47Å; L99-E108 HydrophobicContact CD2-CB 3.61Å; L99-E108 HydrophobicContact CD2-CG 4Å; L99-I135 CarbonylContact O-C 3.09Å; L99-I135 WeakPolarHBondContact O-CA 3.41Å; L99-H136 HydrophobicContact CB-CB 4.43Å; L99-H136 PolarHBondContact N-O 3.17Å; L99-H136 PolarHBondContact O-N 2.56Å; L99-V138 HydrophobicContact CD1-CB 4.14Å; L99-V138 HydrophobicContact CD1-CG2 3.79Å; L99-V138 HydrophobicContact CG-CB 4.49Å; L99-V138 HydrophobicContact CG-CG2 4.16Å; L99-P324 HydrophobicContact CD1-CG 4.47Å; L99-P324 HydrophobicContact CD2-CB 3.97Å; L99-P324 HydrophobicContact CD2-CG 3.94Å
100	Y	95	Very high	89.3	Confident	1 Å²	1	58 Å²	58	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	158.8	169.1	72.6	-83.6	0	0	0	110.7	K102 Y107 I109 D120 C121 D327	Y100-K102 HydrophobicContact CD2-CB 4.3Å; Y100-K102 HydrophobicContact CE2-CB 3.87Å; Y100-K102 HydrophobicContact CE2-CD 4.43Å; Y100-Y107 HydrophobicContact CE1-CG 4.37Å; Y100-Y107 HydrophobicContact CE2-CD2 4.35Å; Y100-Y107 HydrophobicContact CE2-CG 4.34Å; Y100-Y107 VanDerWaalsContact CZ-CB 3.44Å; Y100-Y107 AromaticContact CZ-CG 3.96Å; Y100-Y107 PolarHBondContact N-O 3.35Å; Y100-Y107 PolarHBondContact O-N 2.89Å; Y100-I109 HydrophobicContact CD1-CD1 4.33Å; Y100-I109 HydrophobicContact CD1-CG1 3.87Å; Y100-I109 HydrophobicContact CE1-CG1 4.14Å; Y100-D120 PolarHBondContact OH-OD2 3.33Å; Y100-C121 HydrophobicContact CD1-CB 3.77Å; Y100-C121 HydrophobicContact CD2-CB 3.34Å; Y100-C121 HydrophobicContact CE1-CB 3.91Å; Y100-C121 HydrophobicContact CE2-CB 3.5Å; Y100-C121 VanDerWaalsContact CE2-CB 3.5Å; Y100-C121 HydrophobicContact CG-CB 3.48Å; Y100-C121 VanDerWaalsContact CG-CB 3.48Å; Y100-D327 PolarHBondContact OH-OD2 3Å
101	Q	92.6	Very high	89.7	Confident	99 Å²	99	49.1 Å²	49.1	46%	0.463	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130	178.3	-157.2	-178.5	16.6	0	0	111.1	G104 Q105	Q101-G104 PolarHBondContact NE2-O 3.44Å; Q101-Q105 WeakPolarHBondContact CA-O 3.39Å; Q101-Q105 WeakPolarHBondContact CG-O 3.45Å
102	K	91.1	Very high	89.9	Confident	43 Å²	43	52.5 Å²	52.5	19%	0.187	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	123.4	174	175.2	-179.1	178.6	-178	0	108.8	Y100 G104 Q105 Y107 D120 Y124	Y100-K102 HydrophobicContact CD2-CB 4.3Å; Y100-K102 HydrophobicContact CE2-CB 3.87Å; Y100-K102 HydrophobicContact CE2-CD 4.43Å; K102-G104 PolarHBondContact O-N 2.98Å; K102-G104 VanDerWaalsContact O-N 3.15Å; K102-Q105 PolarHBondContact N-O 2.83Å; K102-Q105 PolarHBondContact O-N 2.72Å; K102-Y107 HydrophobicContact CB-CD2 3.86Å; K102-Y107 HydrophobicContact CB-CE2 3.78Å; K102-Y107 HydrophobicContact CD-CE2 4.33Å; K102-Y107 HydrophobicContact CG-CE2 4.35Å; K102-D120 VanDerWaalsContact CD-OD2 3.29Å; K102-D120 WeakPolarHBondContact CD-OD2 3.43Å; K102-D120 WeakPolarHBondContact CE-OD2 3.43Å; K102-D120 VanDerWaalsContact NZ-CG 3.35Å; K102-D120 IonicContact NZ-OD1 3.75Å; K102-D120 PolarHBondContact NZ-OD1 3.04Å; K102-D120 IonicContact NZ-OD2 2.7Å; K102-D120 PolarHBondContact NZ-OD2 3.41Å; K102-Y124 HydrophobicContact CB-CD1 4.41Å; K102-Y124 HydrophobicContact CB-CE1 4.37Å; K102-Y124 HydrophobicContact CD-CD2 4.49Å; K102-Y124 HydrophobicContact CD-CG 4.48Å; K102-Y124 HydrophobicContact CG-CD1 4.3Å; K102-Y124 HydrophobicContact CG-CD2 4.07Å; K102-Y124 HydrophobicContact CG-CE1 4.34Å; K102-Y124 HydrophobicContact CG-CE2 4.1Å; K102-Y124 HydrophobicContact CG-CG 4.16Å
103	K	88.4	Confident	90.1	Very high	175 Å²	175	55.7 Å²	55.7	76%	0.761	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	40.4	-178.9	-59.3	-178.1	176.7	-177	0	113.8	Q105 Y124	K103-Q105 VanDerWaalsContact C-N 3.29Å; K103-Q105 PolarHBondContact O-N 3.43Å; K103-Y124 HydrophobicContact CG-CE2 4.49Å
104	G	86.4	Confident	90.4	Very high	55 Å²	55	53.7 Å²	53.7	57%	0.567	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-11.3	179.4	0	0	0	0	0	115.6	Q101 K102	Q101-G104 PolarHBondContact NE2-O 3.44Å; K102-G104 PolarHBondContact O-N 2.98Å; K102-G104 VanDerWaalsContact O-N 3.15Å
105	Q	89.6	Confident	90.6	Very high	105 Å²	105	48.4 Å²	48.4	49%	0.491	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	150.9	179	-66.5	-176.1	-27.1	0	0	112.2	Q101 K102 K103 Y107 L325	Q101-Q105 WeakPolarHBondContact CA-O 3.39Å; Q101-Q105 WeakPolarHBondContact CG-O 3.45Å; K102-Q105 PolarHBondContact N-O 2.83Å; K102-Q105 PolarHBondContact O-N 2.72Å; K103-Q105 VanDerWaalsContact C-N 3.29Å; K103-Q105 PolarHBondContact O-N 3.43Å; Q105-Y107 HydrophobicContact CB-CD2 4.48Å; Q105-Y107 HydrophobicContact CB-CE2 3.86Å; Q105-Y107 PolarHBondContact OE1-OH 3.29Å; Q105-L325 HydrophobicContact CB-CD1 4.25Å; Q105-L325 VanDerWaalsContact OE1-CD1 3.3Å
106	W	92.4	Very high	90.7	Very high	106 Å²	106	43.9 Å²	43.9	40%	0.402	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.5	177.1	-71.7	101.5	0	0	0	111	L99 H136 L325	L99-W106 HydrophobicContact CB-CE3 3.85Å; L99-W106 HydrophobicContact CB-CZ3 4.16Å; L99-W106 HydrophobicContact CD1-CE3 4.47Å; W106-H136 AromaticContact CH2-CD2 3.62Å; W106-H136 AromaticContact CH2-CE1 3.85Å; W106-H136 AromaticContact CH2-CG 3.82Å; W106-H136 AromaticContact CH2-ND1 3.97Å; W106-H136 AromaticContact CH2-NE2 3.64Å; W106-H136 HydrophobicContact CZ3-CB 4.13Å; W106-H136 AromaticContact CZ3-CD2 3.53Å; W106-H136 AromaticContact CZ3-CG 3.79Å; W106-L325 PolarHBondContact O-N 2.91Å; W106-L325 VanDerWaalsContact O-N 3.15Å
107	Y	94.3	Very high	90.7	Very high	27 Å²	27	45.5 Å²	45.5	11%	0.106	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.1	176.7	-70.6	-96	0	0	0	110	L99 Y100 K102 Q105 L325 D327	L99-Y107 CarbonylContact C-O 3.59Å; L99-Y107 VanDerWaalsContact CA-O 3.22Å; L99-Y107 WeakPolarHBondContact CA-O 3.47Å; Y100-Y107 HydrophobicContact CE1-CG 4.37Å; Y100-Y107 HydrophobicContact CE2-CD2 4.35Å; Y100-Y107 HydrophobicContact CE2-CG 4.34Å; Y100-Y107 VanDerWaalsContact CZ-CB 3.44Å; Y100-Y107 AromaticContact CZ-CG 3.96Å; Y100-Y107 PolarHBondContact N-O 3.35Å; Y100-Y107 PolarHBondContact O-N 2.89Å; K102-Y107 HydrophobicContact CB-CD2 3.86Å; K102-Y107 HydrophobicContact CB-CE2 3.78Å; K102-Y107 HydrophobicContact CD-CE2 4.33Å; K102-Y107 HydrophobicContact CG-CE2 4.35Å; Q105-Y107 HydrophobicContact CB-CD2 4.48Å; Q105-Y107 HydrophobicContact CB-CE2 3.86Å; Q105-Y107 PolarHBondContact OE1-OH 3.29Å; Y107-L325 CarbonylContact C-O 3.6Å; Y107-L325 WeakPolarHBondContact CA-O 3.34Å; Y107-L325 HydrophobicContact CD1-CB 3.61Å; Y107-L325 HydrophobicContact CE1-CB 3.65Å; Y107-L325 HydrophobicContact CE1-CD1 4.11Å; Y107-L325 HydrophobicContact CG-CB 4.21Å; Y107-D327 HydrophobicContact CD1-CB 4.06Å; Y107-D327 HydrophobicContact CE1-CB 4.36Å
108	E	94.6	Very high	90.5	Very high	8 Å²	8	44.6 Å²	44.6	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.4	172.2	-179.5	-179.8	171.7	0	0	110.5	L97 L98 L99 Y110 R140 R178 P324 L325	L97-E108 WeakPolarHBondContact CD2-OE1 3.48Å; L98-E108 WeakPolarHBondContact O-CA 3.3Å; L99-E108 HydrophobicContact CD2-CB 3.61Å; L99-E108 HydrophobicContact CD2-CG 4Å; E108-Y110 PolarHBondContact O-N 2.61Å; E108-R140 IonicContact OE1-NH2 2.99Å; E108-R178 IonicContact OE2-CZ 2.68Å; E108-R178 IonicContact OE2-NH1 3.03Å; E108-R178 IonicContact OE2-NH2 2.69Å; E108-R178 PolarHBondContact OE2-NH2 3.22Å; E108-P324 HydrophobicContact CB-CB 3.82Å; E108-P324 HydrophobicContact CB-CG 4.45Å; E108-L325 PolarHBondContact N-O 3.18Å
109	I	94.3	Very high	90.3	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.041	20%	0.204	C	C	.	.			trans	-77.5	82.7	163.1	-57.2	171.2	0	0	0	106.5	V67 M70 L98 Y100 L119 I135	V67-I109 HydrophobicContact CB-CG2 4.3Å; V67-I109 HydrophobicContact CG1-CG2 3.71Å; V67-I109 HydrophobicContact CG2-CG2 3.51Å; M70-I109 HydrophobicContact CE-CD1 4.42Å; L98-I109 HydrophobicContact CB-CB 4.06Å; L98-I109 HydrophobicContact CB-CD1 4.32Å; L98-I109 PolarHBondContact O-N 3.39Å; Y100-I109 HydrophobicContact CD1-CD1 4.33Å; Y100-I109 HydrophobicContact CD1-CG1 3.87Å; Y100-I109 HydrophobicContact CE1-CG1 4.14Å; I109-L119 HydrophobicContact CB-CD2 4.47Å; I109-L119 HydrophobicContact CD1-CD1 4.25Å; I109-L119 HydrophobicContact CG1-CD2 4.32Å; I109-L119 HydrophobicContact CG2-CD1 4.44Å; I109-L119 HydrophobicContact CG2-CD2 3.47Å; I109-L119 VanDerWaalsContact CG2-CD2 3.47Å; I109-I135 HydrophobicContact CD1-CD1 3.61Å; I109-I135 HydrophobicContact CD1-CG1 4.26Å; I109-I135 HydrophobicContact CD1-CG2 4.32Å
110	Y	91.3	Very high	90.1	Very high	46 Å²	46	44.8 Å²	44.8	18%	0.18	21%	0.207	C	C	.	.			trans	-81.9	-42.2	-165.1	171	-103.3	0	0	0	113.1	E108 R112 F175 R178 V326 T330	E108-Y110 PolarHBondContact O-N 2.61Å; Y110-R112 PolarHBondContact O-N 3.11Å; Y110-F175 HydrophobicContact CD1-CD2 4.42Å; Y110-F175 AromaticContact CE1-CD2 3.97Å; Y110-F175 HydrophobicContact CE1-CD2 3.97Å; Y110-R178 HydrophobicContact CD2-CG 4.33Å; Y110-R178 HydrophobicContact CE1-CB 4.25Å; Y110-R178 HydrophobicContact CE1-CG 4.19Å; Y110-R178 HydrophobicContact CE2-CG 3.74Å; Y110-V326 HydrophobicContact CG-CG2 4.24Å; Y110-T330 HydrophobicContact CD1-CG2 4.25Å
111	D	89.4	Confident	90	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	21%	0.206	C	C	.	.			trans	-83.7	111.3	-172.3	-178.6	20.1	0	0	0	112.2	V67 Y113 Q114 T330 G331 R472	V67-D111 WeakPolarHBondContact CB-O 3.44Å; D111-Y113 PolarHBondContact O-N 2.89Å; D111-Y113 PolarHBondContact OD1-N 3.3Å; D111-Y113 VanDerWaalsContact OD1-N 3.15Å; D111-Q114 HydrophobicContact CB-CB 4.02Å; D111-Q114 WeakPolarHBondContact O-CB 3.45Å; D111-Q114 PolarHBondContact O-N 3.05Å; D111-Q114 VanDerWaalsContact O-N 3.16Å; D111-T330 HydrophobicContact CB-CG2 3.68Å; D111-G331 VanDerWaalsContact OD2-CA 3.24Å; D111-G331 WeakPolarHBondContact OD2-CA 3.46Å; D111-G331 PolarHBondContact OD2-N 3.46Å; D111-R472 VanDerWaalsContact CG-NE 3.34Å; D111-R472 WeakPolarHBondContact OD1-CD 3.37Å; D111-R472 IonicContact OD1-CZ 3.54Å; D111-R472 IonicContact OD1-NE 3.3Å; D111-R472 PolarHBondContact OD1-NE 3.12Å; D111-R472 IonicContact OD1-NH2 2.95Å; D111-R472 WeakPolarHBondContact OD2-CD 3.48Å; D111-R472 IonicContact OD2-NE 3.36Å; D111-R472 PolarHBondContact OD2-NE 2.95Å
112	R	88.1	Confident	89.9	Confident	114 Å²	114	41.1 Å²	41.1	43%	0.43	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.1	-179.7	78.9	-177.8	98.1	-177.2	7	113.4	V67 E68 Y110	V67-R112 PolarHBondContact N-O 2.76Å; E68-R112 HydrophobicContact CB-CB 4.2Å; E68-R112 PolarHBondContact N-O 3.21Å; Y110-R112 PolarHBondContact O-N 3.11Å
113	Y	85.6	Confident	89.7	Confident	88 Å²	88	43.6 Å²	43.6	35%	0.345	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-4.6	-178.1	-56.8	-63.3	0	0	0	113.3	D111 V115 L474	D111-Y113 PolarHBondContact O-N 2.89Å; D111-Y113 PolarHBondContact OD1-N 3.3Å; D111-Y113 VanDerWaalsContact OD1-N 3.15Å; Y113-V115 PolarHBondContact O-N 3.33Å; Y113-L474 HydrophobicContact CG-CD1 4.45Å
114	Q	88.1	Confident	89.7	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	17%	0.172	C	C	.	.	S	Bend	trans	-63.1	137	178.5	-175.4	172.1	1.5	0	0	110.4	N66 V67 D111 T118 L119 C329	N66-Q114 CarbonylContact C-O 3.44Å; N66-Q114 VanDerWaalsContact CA-O 3.29Å; N66-Q114 WeakPolarHBondContact CA-O 3.47Å; V67-Q114 HydrophobicContact CG2-CB 4.08Å; V67-Q114 WeakPolarHBondContact CG2-O 3.48Å; V67-Q114 PolarHBondContact N-O 3.23Å; D111-Q114 HydrophobicContact CB-CB 4.02Å; D111-Q114 WeakPolarHBondContact O-CB 3.45Å; D111-Q114 PolarHBondContact O-N 3.05Å; D111-Q114 VanDerWaalsContact O-N 3.16Å; Q114-T118 WeakPolarHBondContact CG-OG1 3.45Å; Q114-T118 PolarHBondContact NE2-OG1 2.91Å; Q114-L119 HydrophobicContact CG-CD2 4.21Å; Q114-C329 PolarHBondContact NE2-O 3.43Å
115	V	86.8	Confident	90	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-75.8	130.8	178.1	-180	0	0	0	0	109.3	G63 G65 Y113 Q117 T118 T333	G63-V115 WeakPolarHBondContact O-CG1 3.4Å; G65-V115 WeakPolarHBondContact O-CA 3.42Å; Y113-V115 PolarHBondContact O-N 3.33Å; V115-Q117 VanDerWaalsContact C-N 3.34Å; V115-Q117 HydrophobicContact CG1-CG 4.01Å; V115-Q117 PolarHBondContact O-N 3.37Å; V115-T118 HydrophobicContact CB-CG2 4.06Å; V115-T118 WeakPolarHBondContact O-CB 3.41Å; V115-T118 PolarHBondContact O-N 3.09Å; V115-T118 PolarHBondContact O-OG1 3.5Å; V115-T333 WeakPolarHBondContact CB-O 3.28Å; V115-T333 WeakPolarHBondContact CG2-O 3.48Å
116	V	88.8	Confident	90	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-55.7	-43.9	-168.7	170.4	0	0	0	0	112.7	V61 G65 M70 T118 L119 L122	V61-V116 HydrophobicContact CG1-CG1 4.03Å; V61-V116 HydrophobicContact CG1-CG2 4.05Å; G65-V116 WeakPolarHBondContact O-CG2 3.5Å; G65-V116 PolarHBondContact O-N 2.98Å; M70-V116 HydrophobicContact CB-CG2 4.11Å; M70-V116 HydrophobicContact SD-CG1 4.26Å; M70-V116 HydrophobicContact SD-CG2 4.08Å; V116-T118 PolarHBondContact O-N 3.43Å; V116-T118 VanDerWaalsContact O-N 3.1Å; V116-L119 HydrophobicContact CB-CD1 4.47Å; V116-L119 HydrophobicContact CG1-CD1 4.14Å; V116-L119 VanDerWaalsContact O-CB 3.25Å; V116-L119 WeakPolarHBondContact O-CB 3.3Å; V116-L119 WeakPolarHBondContact O-CD1 3.44Å; V116-L119 WeakPolarHBondContact O-CG 3.35Å; V116-L119 PolarHBondContact O-N 3.37Å; V116-L119 VanDerWaalsContact O-N 3.1Å; V116-L122 HydrophobicContact CG1-CD1 4.18Å; V116-L122 WeakPolarHBondContact O-CD1 3.22Å
117	Q	86.8	Confident	89.8	Confident	35 Å²	35	40.8 Å²	40.8	16%	0.164	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-64.6	-15.3	179.3	71.9	-163.7	-15	0	0	114.5	I38 G63 V115	I38-Q117 HydrophobicContact CD1-CB 4.4Å; G63-Q117 VanDerWaalsContact O-CB 3.23Å; G63-Q117 WeakPolarHBondContact O-CB 3.38Å; G63-Q117 VanDerWaalsContact O-CG 3.3Å; G63-Q117 WeakPolarHBondContact O-CG 3.48Å; G63-Q117 PolarHBondContact O-N 3.44Å; V115-Q117 VanDerWaalsContact C-N 3.34Å; V115-Q117 HydrophobicContact CG1-CG 4.01Å; V115-Q117 PolarHBondContact O-N 3.37Å
118	T	87.2	Confident	89.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-88.3	-9.5	178.1	77.4	0	0	0	0	112.7	Q114 V115 V116 D120 V332	Q114-T118 WeakPolarHBondContact CG-OG1 3.45Å; Q114-T118 PolarHBondContact NE2-OG1 2.91Å; V115-T118 HydrophobicContact CB-CG2 4.06Å; V115-T118 WeakPolarHBondContact O-CB 3.41Å; V115-T118 PolarHBondContact O-N 3.09Å; V115-T118 PolarHBondContact O-OG1 3.5Å; V116-T118 PolarHBondContact O-N 3.43Å; V116-T118 VanDerWaalsContact O-N 3.1Å; T118-D120 PolarHBondContact O-N 3.25Å; T118-V332 WeakPolarHBondContact CB-O 3.36Å; T118-V332 HydrophobicContact CG2-CG1 4.21Å; T118-V332 PolarHBondContact OG1-O 3.45Å
119	L	90.8	Very high	89.4	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	24%	0.235	C	C	.	.			trans	-55.7	131	178.7	-66.5	172.7	0	0	0	111.2	V67 M70 I109 Q114 V116 C121 L122	V67-L119 HydrophobicContact CG2-CD2 4Å; M70-L119 HydrophobicContact CE-CD1 4.13Å; I109-L119 HydrophobicContact CB-CD2 4.47Å; I109-L119 HydrophobicContact CD1-CD1 4.25Å; I109-L119 HydrophobicContact CG1-CD2 4.32Å; I109-L119 HydrophobicContact CG2-CD1 4.44Å; I109-L119 HydrophobicContact CG2-CD2 3.47Å; I109-L119 VanDerWaalsContact CG2-CD2 3.47Å; Q114-L119 HydrophobicContact CG-CD2 4.21Å; V116-L119 HydrophobicContact CB-CD1 4.47Å; V116-L119 HydrophobicContact CG1-CD1 4.14Å; V116-L119 VanDerWaalsContact O-CB 3.25Å; V116-L119 WeakPolarHBondContact O-CB 3.3Å; V116-L119 WeakPolarHBondContact O-CD1 3.44Å; V116-L119 WeakPolarHBondContact O-CG 3.35Å; V116-L119 PolarHBondContact O-N 3.37Å; V116-L119 VanDerWaalsContact O-N 3.1Å; L119-C121 VanDerWaalsContact C-N 3.25Å; L119-C121 PolarHBondContact O-N 2.92Å; L119-L122 HydrophobicContact CB-CD1 4.31Å; L119-L122 HydrophobicContact CB-CG 4.17Å; L119-L122 PolarHBondContact O-N 2.83Å
120	D	91	Very high	89	Confident	23 Å²	23	57.3 Å²	57.3	12%	0.123	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-33.3	-179.3	-179.4	70.7	0	0	0	112	Y100 K102 T118 L122 R123 Y124 D327 C329	Y100-D120 PolarHBondContact OH-OD2 3.33Å; K102-D120 VanDerWaalsContact CD-OD2 3.29Å; K102-D120 WeakPolarHBondContact CD-OD2 3.43Å; K102-D120 WeakPolarHBondContact CE-OD2 3.43Å; K102-D120 VanDerWaalsContact NZ-CG 3.35Å; K102-D120 IonicContact NZ-OD1 3.75Å; K102-D120 PolarHBondContact NZ-OD1 3.04Å; K102-D120 IonicContact NZ-OD2 2.7Å; K102-D120 PolarHBondContact NZ-OD2 3.41Å; T118-D120 PolarHBondContact O-N 3.25Å; D120-L122 VanDerWaalsContact C-N 3.29Å; D120-L122 PolarHBondContact O-N 3.5Å; D120-R123 WeakPolarHBondContact O-CB 3.25Å; D120-R123 PolarHBondContact O-N 2.87Å; D120-Y124 WeakPolarHBondContact O-CB 3.41Å; D120-Y124 PolarHBondContact O-N 3.3Å; D120-D327 HydrophobicContact CB-CB 4.07Å; D120-D327 VanDerWaalsContact CB-CG 3.45Å; D120-D327 WeakPolarHBondContact CB-OD2 3.37Å; D120-C329 HydrophobicContact CB-CB 4.11Å
121	C	92	Very high	88.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57	-40.6	177	65.5	0	0	0	0	112.7	Y100 L119 Y124 W125	Y100-C121 HydrophobicContact CD1-CB 3.77Å; Y100-C121 HydrophobicContact CD2-CB 3.34Å; Y100-C121 HydrophobicContact CE1-CB 3.91Å; Y100-C121 HydrophobicContact CE2-CB 3.5Å; Y100-C121 VanDerWaalsContact CE2-CB 3.5Å; Y100-C121 HydrophobicContact CG-CB 3.48Å; Y100-C121 VanDerWaalsContact CG-CB 3.48Å; L119-C121 VanDerWaalsContact C-N 3.25Å; L119-C121 PolarHBondContact O-N 2.92Å; C121-Y124 PolarHBondContact O-N 3.36Å; C121-W125 HydrophobicContact CB-CD2 4.46Å; C121-W125 HydrophobicContact CB-CH2 3.9Å; C121-W125 HydrophobicContact CB-CZ2 3.76Å; C121-W125 HydrophobicContact CB-CZ3 4.31Å; C121-W125 WeakPolarHBondContact O-CB 3.2Å; C121-W125 PolarHBondContact O-N 3.4Å
122	L	90.4	Very high	88.4	Confident	23 Å²	23	61.9 Å²	61.9	12%	0.12	29%	0.29	C	S	.	.	H	α-helix	trans	-66.7	-42.5	178.7	-62.7	-178.2	0	0	0	111.7	I38 I40 V116 L119 D120 Y124 W125 K126	I38-L122 HydrophobicContact CD1-CD1 3.73Å; I38-L122 HydrophobicContact CG2-CD1 4.36Å; I38-L122 HydrophobicContact CG2-CD2 3.84Å; I40-L122 HydrophobicContact CD1-CD2 4.15Å; I40-L122 HydrophobicContact CG1-CD2 4.45Å; V116-L122 HydrophobicContact CG1-CD1 4.18Å; V116-L122 WeakPolarHBondContact O-CD1 3.22Å; L119-L122 HydrophobicContact CB-CD1 4.31Å; L119-L122 HydrophobicContact CB-CG 4.17Å; L119-L122 PolarHBondContact O-N 2.83Å; D120-L122 VanDerWaalsContact C-N 3.29Å; D120-L122 PolarHBondContact O-N 3.5Å; L122-Y124 VanDerWaalsContact C-N 3.33Å; L122-W125 HydrophobicContact CD2-CE3 3.71Å; L122-W125 HydrophobicContact CD2-CZ3 3.61Å; L122-W125 PolarHBondContact O-N 2.94Å; L122-K126 WeakPolarHBondContact O-CB 3.35Å; L122-K126 PolarHBondContact O-N 2.84Å
123	R	86.6	Confident	88.5	Confident	95 Å²	95	56.6 Å²	56.6	36%	0.358	27%	0.271	S	S	.	.	H	α-helix	trans	-61.6	-45.9	175.7	-62.8	177.7	178.3	-168.2	-4.6	110.5	D120 K126 M127	D120-R123 WeakPolarHBondContact O-CB 3.25Å; D120-R123 PolarHBondContact O-N 2.87Å; R123-K126 PolarHBondContact O-N 3.05Å; R123-M127 WeakPolarHBondContact O-CG 3.02Å; R123-M127 PolarHBondContact O-N 3.17Å
124	Y	90.1	Very high	88.9	Confident	51 Å²	51	55.4 Å²	55.4	20%	0.2	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-48.1	177.6	176.6	-110.3	0	0	0	112.1	K102 K103 D120 C121 L122 K126 M127 M128	K102-Y124 HydrophobicContact CB-CD1 4.41Å; K102-Y124 HydrophobicContact CB-CE1 4.37Å; K102-Y124 HydrophobicContact CD-CD2 4.49Å; K102-Y124 HydrophobicContact CD-CG 4.48Å; K102-Y124 HydrophobicContact CG-CD1 4.3Å; K102-Y124 HydrophobicContact CG-CD2 4.07Å; K102-Y124 HydrophobicContact CG-CE1 4.34Å; K102-Y124 HydrophobicContact CG-CE2 4.1Å; K102-Y124 HydrophobicContact CG-CG 4.16Å; K103-Y124 HydrophobicContact CG-CE2 4.49Å; D120-Y124 WeakPolarHBondContact O-CB 3.41Å; D120-Y124 PolarHBondContact O-N 3.3Å; C121-Y124 PolarHBondContact O-N 3.36Å; L122-Y124 VanDerWaalsContact C-N 3.33Å; Y124-K126 VanDerWaalsContact C-N 3.34Å; Y124-K126 PolarHBondContact O-N 3.22Å; Y124-M127 WeakPolarHBondContact O-CB 3.39Å; Y124-M127 PolarHBondContact O-N 3.17Å; Y124-M128 HydrophobicContact CD2-CG 4.28Å; Y124-M128 HydrophobicContact CE1-CG 4.26Å; Y124-M128 HydrophobicContact CE2-CG 3.92Å; Y124-M128 HydrophobicContact CE2-SD 4.32Å; Y124-M128 VanDerWaalsContact O-CG 3.29Å; Y124-M128 WeakPolarHBondContact O-CG 3.17Å; Y124-M128 PolarHBondContact O-N 3.34Å
125	W	92.9	Very high	89.3	Confident	13 Å²	13	55.4 Å²	55.4	5%	0.049	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-36.9	178.6	-60.5	-29.2	0	0	0	112.9	C121 L122 M127 M128 H129 K130 G133 Q134 I135	C121-W125 HydrophobicContact CB-CD2 4.46Å; C121-W125 HydrophobicContact CB-CH2 3.9Å; C121-W125 HydrophobicContact CB-CZ2 3.76Å; C121-W125 HydrophobicContact CB-CZ3 4.31Å; C121-W125 WeakPolarHBondContact O-CB 3.2Å; C121-W125 PolarHBondContact O-N 3.4Å; L122-W125 HydrophobicContact CD2-CE3 3.71Å; L122-W125 HydrophobicContact CD2-CZ3 3.61Å; L122-W125 PolarHBondContact O-N 2.94Å; W125-M127 VanDerWaalsContact C-N 3.34Å; W125-M127 PolarHBondContact O-N 2.61Å; W125-M128 CarbonylContact O-C 3.24Å; W125-M128 PolarHBondContact O-N 3.4Å; W125-M128 VanDerWaalsContact O-N 3.14Å; W125-H129 PolarHBondContact O-N 2.81Å; W125-K130 HydrophobicContact CB-CB 4.22Å; W125-K130 PolarHBondContact O-N 3.25Å; W125-G133 VanDerWaalsContact CE3-CA 3.46Å; W125-Q134 WeakPolarHBondContact CZ2-O 3.36Å; W125-I135 HydrophobicContact CH2-CD1 4.33Å; W125-I135 HydrophobicContact CH2-CG1 3.71Å
126	K	88.4	Confident	89.7	Confident	164 Å²	164	57.7 Å²	57.7	71%	0.713	28%	0.279	S	S	*	.	H	α-helix	trans	-60.8	-43	173.4	-171.9	173.3	-177.1	171	0	111.7	L122 R123 Y124 M128 H129	L122-K126 WeakPolarHBondContact O-CB 3.35Å; L122-K126 PolarHBondContact O-N 2.84Å; R123-K126 PolarHBondContact O-N 3.05Å; Y124-K126 VanDerWaalsContact C-N 3.34Å; Y124-K126 PolarHBondContact O-N 3.22Å; K126-M128 VanDerWaalsContact C-N 3.29Å; K126-M128 PolarHBondContact O-N 3.37Å; K126-H129 PolarHBondContact O-N 2.81Å
127	M	89.3	Confident	89.9	Confident	154 Å²	154	58.1 Å²	58.1	76%	0.759	28%	0.281	S	S	*	.	H	α-helix	trans	-65.4	-31.7	174.3	-69.3	176.3	69	0	0	112.8	R123 Y124 W125 H129	R123-M127 WeakPolarHBondContact O-CG 3.02Å; R123-M127 PolarHBondContact O-N 3.17Å; Y124-M127 WeakPolarHBondContact O-CB 3.39Å; Y124-M127 PolarHBondContact O-N 3.17Å; W125-M127 VanDerWaalsContact C-N 3.34Å; W125-M127 PolarHBondContact O-N 2.61Å; M127-H129 VanDerWaalsContact C-N 3.33Å
128	M	90.4	Very high	90.1	Very high	119 Å²	119	59.1 Å²	59.1	59%	0.586	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	3	178.3	-63.5	-60	-63.6	0	0	113.5	Y124 W125 K126 K130	Y124-M128 HydrophobicContact CD2-CG 4.28Å; Y124-M128 HydrophobicContact CE1-CG 4.26Å; Y124-M128 HydrophobicContact CE2-CG 3.92Å; Y124-M128 HydrophobicContact CE2-SD 4.32Å; Y124-M128 VanDerWaalsContact O-CG 3.29Å; Y124-M128 WeakPolarHBondContact O-CG 3.17Å; Y124-M128 PolarHBondContact O-N 3.34Å; W125-M128 CarbonylContact O-C 3.24Å; W125-M128 PolarHBondContact O-N 3.4Å; W125-M128 VanDerWaalsContact O-N 3.14Å; K126-M128 VanDerWaalsContact C-N 3.29Å; K126-M128 PolarHBondContact O-N 3.37Å; M128-K130 PolarHBondContact O-N 3.2Å
129	H	89	Confident	90.2	Very high	177 Å²	177	62.3 Å²	62.3	82%	0.819	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	33.1	-172.6	-57.4	-73.8	0	0	0	114.2	W125 K126 M127	W125-H129 PolarHBondContact O-N 2.81Å; K126-H129 PolarHBondContact O-N 2.81Å; M127-H129 VanDerWaalsContact C-N 3.33Å
130	K	85.6	Confident	89.9	Confident	94 Å²	94	68.6 Å²	68.6	41%	0.409	33%	0.328	S	S	.	.			trans	-96.4	117.6	178.2	-170.5	177.6	-179.8	-178.4	0	110.2	W125 M128 Q134	W125-K130 HydrophobicContact CB-CB 4.22Å; W125-K130 PolarHBondContact O-N 3.25Å; M128-K130 PolarHBondContact O-N 3.2Å; K130-Q134 VanDerWaalsContact NZ-OE1 3.07Å
131	S	84.9	Confident	89.5	Confident	94 Å²	94	74.3 Å²	74.3	66%	0.657	35%	0.354	S	S	*	.	S	Bend	trans	-150.7	126	172.8	-170.8	0	0	0	0	110.3
132	P	84.4	Confident	88.9	Confident	51 Å²	51	78.6 Å²	78.6	33%	0.331	39%	0.39	S	S	.	.	S	Bend	cis	-69.5	151.4	-2.3	30.8	-34.7	0	0	0	112.2	P39 E41 L58	P39-P132 HydrophobicContact CB-CB 4.44Å; E41-P132 HydrophobicContact CB-CB 4.34Å; E41-P132 HydrophobicContact CB-CG 4.27Å; L58-P132 HydrophobicContact CD1-CB 4.03Å; L58-P132 HydrophobicContact CD1-CG 4.14Å
133	G	89.3	Confident	88.6	Confident	3 Å²	3	81.3 Å²	81.3	3%	0.031	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	167.5	165.7	0	0	0	0	0	111.6	E41 W125	E41-G133 PolarHBondContact N-O 3Å; W125-G133 VanDerWaalsContact CE3-CA 3.46Å
134	Q	94.2	Very high	88.7	Confident	64 Å²	64	79.1 Å²	79.1	30%	0.299	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.7	-174.7	-77	169.3	-25.6	0	0	111.6	E41 I43 W125 K130	E41-Q134 HydrophobicContact CB-CG 4.19Å; E41-Q134 HydrophobicContact CG-CG 4.43Å; E41-Q134 CarbonylContact O-C 3.57Å; E41-Q134 VanDerWaalsContact O-CA 3.29Å; E41-Q134 WeakPolarHBondContact O-CA 3.39Å; E41-Q134 VanDerWaalsContact OE2-CG 3.27Å; E41-Q134 WeakPolarHBondContact OE2-CG 3.44Å; E41-Q134 PolarHBondContact OE2-NE2 3.11Å; I43-Q134 HydrophobicContact CD1-CB 4.26Å; I43-Q134 HydrophobicContact CD1-CG 4.3Å; W125-Q134 WeakPolarHBondContact CZ2-O 3.36Å; K130-Q134 VanDerWaalsContact NZ-OE1 3.07Å
135	I	95.9	Very high	88.6	Confident	0 Å²	0	84.9 Å²	84.9	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.5	171.7	-60.1	-178.3	0	0	0	108.7	I40 E41 F42 I43 M70 L98 L99 I109 W125	I40-I135 HydrophobicContact CD1-CD1 4.38Å; I40-I135 HydrophobicContact CG2-CB 4.41Å; I40-I135 HydrophobicContact CG2-CD1 3.68Å; I40-I135 HydrophobicContact CG2-CG1 3.78Å; E41-I135 PolarHBondContact O-N 3.35Å; F42-I135 CarbonylContact C-O 3.35Å; F42-I135 VanDerWaalsContact CA-O 3.27Å; F42-I135 WeakPolarHBondContact CA-O 3.38Å; F42-I135 HydrophobicContact CD1-CB 3.77Å; F42-I135 HydrophobicContact CD1-CG2 3.94Å; F42-I135 HydrophobicContact CE1-CB 3.8Å; F42-I135 HydrophobicContact CE1-CD1 3.76Å; F42-I135 HydrophobicContact CE1-CG1 4.27Å; F42-I135 HydrophobicContact CE1-CG2 3.88Å; F42-I135 HydrophobicContact CZ-CD1 4.04Å; I43-I135 PolarHBondContact N-O 2.81Å; M70-I135 HydrophobicContact CE-CD1 4.38Å; M70-I135 HydrophobicContact SD-CD1 4.44Å; L98-I135 HydrophobicContact CB-CG2 3.94Å; L98-I135 HydrophobicContact CD2-CG2 4.18Å; L99-I135 CarbonylContact O-C 3.09Å; L99-I135 WeakPolarHBondContact O-CA 3.41Å; I109-I135 HydrophobicContact CD1-CD1 3.61Å; I109-I135 HydrophobicContact CD1-CG1 4.26Å; I109-I135 HydrophobicContact CD1-CG2 4.32Å; W125-I135 HydrophobicContact CH2-CD1 4.33Å; W125-I135 HydrophobicContact CH2-CG1 3.71Å
136	H	95.2	Very high	88.4	Confident	50 Å²	50	90.5 Å²	90.5	23%	0.231	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.5	175.8	-67.6	-107.8	0	0	0	110.3	I43 L99 W106 V138	I43-H136 WeakPolarHBondContact CD1-CE1 3.46Å; I43-H136 WeakPolarHBondContact CD1-NE2 3.33Å; L99-H136 HydrophobicContact CB-CB 4.43Å; L99-H136 PolarHBondContact N-O 3.17Å; L99-H136 PolarHBondContact O-N 2.56Å; W106-H136 AromaticContact CH2-CD2 3.62Å; W106-H136 AromaticContact CH2-CE1 3.85Å; W106-H136 AromaticContact CH2-CG 3.82Å; W106-H136 AromaticContact CH2-ND1 3.97Å; W106-H136 AromaticContact CH2-NE2 3.64Å; W106-H136 HydrophobicContact CZ3-CB 4.13Å; W106-H136 AromaticContact CZ3-CD2 3.53Å; W106-H136 AromaticContact CZ3-CG 3.79Å; H136-V138 HydrophobicContact CB-CG2 4.12Å
137	V	92.8	Very high	88.4	Confident	8 Å²	8	83.8 Å²	83.8	5%	0.048	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	111.9	172.5	-176.3	0	0	0	0	107.8	F42 I43 L44 P45 V74 F96 L97 L98	F42-V137 HydrophobicContact CB-CG2 4.45Å; F42-V137 HydrophobicContact CD1-CG2 4.2Å; I43-V137 PolarHBondContact O-N 3.38Å; L44-V137 HydrophobicContact CD2-CG2 4.3Å; P45-V137 WeakPolarHBondContact CD-O 3.46Å; V74-V137 HydrophobicContact CG1-CG2 3.89Å; F96-V137 HydrophobicContact CB-CG1 3.88Å; F96-V137 HydrophobicContact CD1-CG1 3.97Å; F96-V137 HydrophobicContact CG-CG1 4.1Å; L97-V137 WeakPolarHBondContact O-CA 3.47Å; L98-V137 HydrophobicContact CD2-CG2 3.86Å
138	V	91.6	Very high	88.5	Confident	56 Å²	56	80.6 Å²	80.6	34%	0.339	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.6	-172.2	-177.9	0	0	0	0	110.3	F96 L97 L99 H136 R140	F96-V138 CarbonylContact C-O 3.34Å; F96-V138 VanDerWaalsContact CA-O 3.23Å; F96-V138 WeakPolarHBondContact CA-O 3.44Å; L97-V138 PolarHBondContact N-O 3.11Å; L97-V138 PolarHBondContact O-N 2.89Å; L99-V138 HydrophobicContact CD1-CB 4.14Å; L99-V138 HydrophobicContact CD1-CG2 3.79Å; L99-V138 HydrophobicContact CG-CB 4.49Å; L99-V138 HydrophobicContact CG-CG2 4.16Å; H136-V138 HydrophobicContact CB-CG2 4.12Å; V138-R140 PolarHBondContact O-N 3.15Å
139	Q	88.4	Confident	88.6	Confident	68 Å²	68	77.7 Å²	77.7	32%	0.318	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.8	177.2	-171.1	177.8	-3.1	0	0	110.6	F96 H141	F96-Q139 HydrophobicContact CD1-CB 4.11Å; F96-Q139 HydrophobicContact CE1-CB 3.84Å; F96-Q139 HydrophobicContact CE1-CG 4.13Å; Q139-H141 PolarHBondContact O-N 3.42Å
140	R	85.1	Confident	88.8	Confident	133 Å²	133	70.2 Å²	70.2	50%	0.502	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-76	121.5	172	-174.6	179.3	-73.7	178.8	-6	108.6	H95 L97 E108 V138	H95-R140 WeakPolarHBondContact O-CB 3.23Å; H95-R140 PolarHBondContact O-N 2.85Å; L97-R140 HydrophobicContact CD2-CB 4.38Å; L97-R140 VanDerWaalsContact CD2-NE 3.33Å; L97-R140 VanDerWaalsContact CD2-NH2 3.33Å; L97-R140 HydrophobicContact CG-CB 4.41Å; E108-R140 IonicContact OE1-NH2 2.99Å; V138-R140 PolarHBondContact O-N 3.15Å
141	H	82.1	Confident	89.2	Confident	144 Å²	144	67 Å²	67	67%	0.667	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-93.8	152.3	174.7	-63.6	-61.6	0	0	0	111.1	Q139	Q139-H141 PolarHBondContact O-N 3.42Å
142	A	80.6	Confident	89.7	Confident	90 Å²	90	69.9 Å²	69.9	74%	0.744	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-64.2	146.7	171.3	0	0	0	0	0	110.3
143	P	83.6	Confident	90.3	Very high	79 Å²	79	70.8 Å²	70.8	51%	0.513	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-60.5	143	176.6	25.4	-33.1	0	0	0	110.8	T147 L148	P143-T147 HydrophobicContact CB-CG2 4.23Å; P143-L148 HydrophobicContact CB-CD2 4.48Å; P143-L148 HydrophobicContact CB-CG 4.47Å; P143-L148 HydrophobicContact CG-CD2 4.11Å; P143-L148 HydrophobicContact CG-CG 4.41Å
144	S	88.1	Confident	90.7	Very high	49 Å²	49	70.6 Å²	70.6	34%	0.343	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-68.5	160.5	176.9	79.9	0	0	0	0	111.7	E146 T147 L148	S144-E146 PolarHBondContact O-N 2.96Å; S144-E146 PolarHBondContact OG-N 3.36Å; S144-T147 WeakPolarHBondContact O-CB 3.46Å; S144-T147 PolarHBondContact O-N 3.38Å; S144-T147 VanDerWaalsContact O-N 3.13Å; S144-T147 PolarHBondContact OG-N 2.84Å; S144-T147 VanDerWaalsContact OG-N 3.1Å; S144-T147 PolarHBondContact OG-OG1 3.45Å; S144-L148 WeakPolarHBondContact O-CG 3.28Å; S144-L148 PolarHBondContact O-N 2.87Å
145	E	89.3	Confident	90.8	Very high	172 Å²	172	69.2 Å²	69.2	80%	0.804	36%	0.363	S	S	*	.	H	α-helix	trans	-57.8	-36.4	173.5	-71.2	-170.7	168.6	0	0	112.3	L148 A149	E145-L148 PolarHBondContact O-N 3.11Å; E145-A149 WeakPolarHBondContact O-CB 3.49Å; E145-A149 PolarHBondContact O-N 3.29Å
146	E	88.6	Confident	90.8	Very high	131 Å²	131	72.4 Å²	72.4	61%	0.612	39%	0.385	S	S	*	.	H	α-helix	trans	-67.8	-36.5	177.3	-58.8	-177.1	176.7	0	0	112.4	S144 L148 A149 F150 R319	S144-E146 PolarHBondContact O-N 2.96Å; S144-E146 PolarHBondContact OG-N 3.36Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-A149 PolarHBondContact O-N 2.87Å; E146-F150 WeakPolarHBondContact O-CB 3.34Å; E146-F150 PolarHBondContact O-N 2.86Å; E146-R319 PolarHBondContact O-NH1 3.25Å; E146-R319 IonicContact OE2-NH2 3.63Å; E146-R319 PolarHBondContact OE2-NH2 3.26Å
147	T	87.8	Confident	91	Very high	23 Å²	23	70.1 Å²	70.1	14%	0.141	38%	0.375	C	S	.	.	H	α-helix	trans	-64.2	-42.1	175	-48.5	0	0	0	0	110	P143 S144 F150 Q151 E322	P143-T147 HydrophobicContact CB-CG2 4.23Å; S144-T147 WeakPolarHBondContact O-CB 3.46Å; S144-T147 PolarHBondContact O-N 3.38Å; S144-T147 VanDerWaalsContact O-N 3.13Å; S144-T147 PolarHBondContact OG-N 2.84Å; S144-T147 VanDerWaalsContact OG-N 3.1Å; S144-T147 PolarHBondContact OG-OG1 3.45Å; T147-F150 PolarHBondContact O-N 2.98Å; T147-Q151 WeakPolarHBondContact O-CB 3.38Å; T147-Q151 PolarHBondContact O-N 2.89Å; T147-E322 WeakPolarHBondContact CG2-OE2 3.29Å; T147-E322 PolarHBondContact OG1-OE1 3.14Å; T147-E322 PolarHBondContact OG1-OE2 2.91Å
148	L	90.7	Very high	91.2	Very high	87 Å²	87	69.8 Å²	69.8	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-66.7	-40.9	175.9	-67.5	171.7	0	0	0	112.2	P143 S144 E145 E146 Q151 K152	P143-L148 HydrophobicContact CB-CD2 4.48Å; P143-L148 HydrophobicContact CB-CG 4.47Å; P143-L148 HydrophobicContact CG-CD2 4.11Å; P143-L148 HydrophobicContact CG-CG 4.41Å; S144-L148 WeakPolarHBondContact O-CG 3.28Å; S144-L148 PolarHBondContact O-N 2.87Å; E145-L148 PolarHBondContact O-N 3.11Å; E146-L148 VanDerWaalsContact C-N 3.33Å; L148-Q151 PolarHBondContact O-N 3.42Å; L148-K152 WeakPolarHBondContact O-CG 3.4Å; L148-K152 PolarHBondContact O-N 2.98Å
149	A	93.3	Very high	91.4	Very high	58 Å²	58	69.8 Å²	69.8	48%	0.479	38%	0.383	S	S	.	.	H	α-helix	trans	-63.7	-42.7	176.2	0	0	0	0	0	111.7	E145 E146 K152 Q153	E145-A149 WeakPolarHBondContact O-CB 3.49Å; E145-A149 PolarHBondContact O-N 3.29Å; E146-A149 PolarHBondContact O-N 2.87Å; A149-K152 WeakPolarHBondContact O-CB 3.38Å; A149-K152 PolarHBondContact O-N 3.45Å; A149-Q153 PolarHBondContact O-N 3.3Å; A149-Q153 VanDerWaalsContact O-N 3.07Å
150	F	94	Very high	91.7	Very high	20 Å²	20	68.1 Å²	68.1	9%	0.088	37%	0.374	C	S	.	.	H	α-helix	trans	-64.4	-43	175.6	-174.9	-125	0	0	0	111.9	E146 T147 K152 Q153 L154 R722 L729	E146-F150 WeakPolarHBondContact O-CB 3.34Å; E146-F150 PolarHBondContact O-N 2.86Å; T147-F150 PolarHBondContact O-N 2.98Å; F150-K152 VanDerWaalsContact C-N 3.3Å; F150-K152 PolarHBondContact O-N 3.3Å; F150-Q153 WeakPolarHBondContact O-CB 3.49Å; F150-Q153 PolarHBondContact O-N 3.42Å; F150-Q153 VanDerWaalsContact O-N 3.15Å; F150-L154 HydrophobicContact CD1-CD1 4.16Å; F150-L154 HydrophobicContact CE1-CD1 3.81Å; F150-L154 HydrophobicContact CE1-CG 4.36Å; F150-L154 HydrophobicContact CE2-CD2 4.18Å; F150-L154 HydrophobicContact CE2-CG 4.36Å; F150-L154 HydrophobicContact CZ-CD1 4.08Å; F150-L154 HydrophobicContact CZ-CD2 4.07Å; F150-L154 HydrophobicContact CZ-CG 4.24Å; F150-L154 WeakPolarHBondContact O-CG 3.41Å; F150-L154 PolarHBondContact O-N 2.97Å; F150-R722 HydrophobicContact CE1-CG 4.21Å; F150-L729 HydrophobicContact CE2-CD2 3.71Å; F150-L729 HydrophobicContact CZ-CD2 4.48Å
151	Q	94.2	Very high	92.2	Very high	26 Å²	26	64.8 Å²	64.8	12%	0.121	37%	0.367	C	S	.	.	H	α-helix	trans	-56.8	-44.3	173.6	-174.2	63.3	46.1	0	0	111.6	T147 L148 Q153 L154 T155 T163 E718	T147-Q151 WeakPolarHBondContact O-CB 3.38Å; T147-Q151 PolarHBondContact O-N 2.89Å; L148-Q151 PolarHBondContact O-N 3.42Å; Q151-Q153 VanDerWaalsContact C-N 3.33Å; Q151-Q153 PolarHBondContact O-N 3.01Å; Q151-L154 PolarHBondContact O-N 2.93Å; Q151-T155 PolarHBondContact O-N 3.48Å; Q151-T155 PolarHBondContact O-OG1 3.03Å; Q151-T155 VanDerWaalsContact O-OG1 3.08Å; Q151-T163 HydrophobicContact CG-CG2 4.28Å; Q151-E718 PolarHBondContact OE1-OE1 3.01Å
152	K	95.4	Very high	92.5	Very high	156 Å²	156	58.6 Å²	58.6	68%	0.678	34%	0.339	S	S	*	.	H	α-helix	trans	-60.7	-40.8	176.9	-72.8	174.1	-178.1	178.8	0	112.5	L148 A149 F150 T155 S156	L148-K152 WeakPolarHBondContact O-CG 3.4Å; L148-K152 PolarHBondContact O-N 2.98Å; A149-K152 WeakPolarHBondContact O-CB 3.38Å; A149-K152 PolarHBondContact O-N 3.45Å; F150-K152 VanDerWaalsContact C-N 3.3Å; F150-K152 PolarHBondContact O-N 3.3Å; K152-T155 PolarHBondContact O-N 2.71Å; K152-S156 PolarHBondContact O-N 3.3Å
153	Q	96.1	Very high	92.9	Very high	69 Å²	69	57.3 Å²	57.3	32%	0.322	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-46.3	174.7	-175.8	-175	3.1	0	0	111.2	A149 F150 Q151 S156 L157	A149-Q153 PolarHBondContact O-N 3.3Å; A149-Q153 VanDerWaalsContact O-N 3.07Å; F150-Q153 WeakPolarHBondContact O-CB 3.49Å; F150-Q153 PolarHBondContact O-N 3.42Å; F150-Q153 VanDerWaalsContact O-N 3.15Å; Q151-Q153 VanDerWaalsContact C-N 3.33Å; Q151-Q153 PolarHBondContact O-N 3.01Å; Q153-S156 PolarHBondContact O-N 3.07Å; Q153-L157 PolarHBondContact O-N 3.11Å
154	L	97.1	Very high	93.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-46.3	177	-63.9	-177.1	0	0	0	111.4	F150 Q151 S156 L157 I158 E718 L721 R722 L729	F150-L154 HydrophobicContact CD1-CD1 4.16Å; F150-L154 HydrophobicContact CE1-CD1 3.81Å; F150-L154 HydrophobicContact CE1-CG 4.36Å; F150-L154 HydrophobicContact CE2-CD2 4.18Å; F150-L154 HydrophobicContact CE2-CG 4.36Å; F150-L154 HydrophobicContact CZ-CD1 4.08Å; F150-L154 HydrophobicContact CZ-CD2 4.07Å; F150-L154 HydrophobicContact CZ-CG 4.24Å; F150-L154 WeakPolarHBondContact O-CG 3.41Å; F150-L154 PolarHBondContact O-N 2.97Å; Q151-L154 PolarHBondContact O-N 2.93Å; L154-S156 VanDerWaalsContact C-N 3.28Å; L154-S156 PolarHBondContact O-N 2.78Å; L154-L157 PolarHBondContact O-N 3.37Å; L154-L157 VanDerWaalsContact O-N 3.14Å; L154-I158 HydrophobicContact CB-CD1 4.4Å; L154-I158 WeakPolarHBondContact O-CB 3.05Å; L154-I158 WeakPolarHBondContact O-CD1 3.46Å; L154-I158 WeakPolarHBondContact O-CG1 3.33Å; L154-I158 PolarHBondContact O-N 2.89Å; L154-E718 HydrophobicContact CD1-CG 4.28Å; L154-L721 HydrophobicContact CD2-CB 3.65Å; L154-L721 HydrophobicContact CD2-CD1 4.19Å; L154-R722 HydrophobicContact CD1-CG 3.69Å; L154-L729 HydrophobicContact CD2-CD1 4.09Å
155	T	96.8	Very high	92.8	Very high	34 Å²	34	60.1 Å²	60.1	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-56.8	-41.4	176.6	-62.9	0	0	0	0	111.7	Q151 K152 G159 D161	Q151-T155 PolarHBondContact O-N 3.48Å; Q151-T155 PolarHBondContact O-OG1 3.03Å; Q151-T155 VanDerWaalsContact O-OG1 3.08Å; K152-T155 PolarHBondContact O-N 2.71Å; T155-G159 PolarHBondContact O-N 3.43Å; T155-D161 HydrophobicContact CG2-CB 4Å
156	S	96.6	Very high	92.3	Very high	67 Å²	67	55.3 Å²	55.3	47%	0.469	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-43.5	175.6	173.4	0	0	0	0	112.7	K152 Q153 L154 G159	K152-S156 PolarHBondContact O-N 3.3Å; Q153-S156 PolarHBondContact O-N 3.07Å; L154-S156 VanDerWaalsContact C-N 3.28Å; L154-S156 PolarHBondContact O-N 2.78Å; S156-G159 PolarHBondContact O-N 2.91Å
157	L	98.1	Very high	92.1	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-43.4	177.6	-72.2	174.9	0	0	0	112.3	Q153 L154 G159 F696 R700 L721 L729 F732 V736	Q153-L157 PolarHBondContact O-N 3.11Å; L154-L157 PolarHBondContact O-N 3.37Å; L154-L157 VanDerWaalsContact O-N 3.14Å; L157-G159 VanDerWaalsContact C-N 3.34Å; L157-F696 HydrophobicContact CB-CE2 4.45Å; L157-R700 WeakPolarHBondContact O-CD 2.72Å; L157-R700 PolarHBondContact O-NE 3.22Å; L157-L721 HydrophobicContact CB-CD1 3.94Å; L157-L721 HydrophobicContact CD1-CD1 4.33Å; L157-L721 HydrophobicContact CD1-CD2 4.44Å; L157-L729 HydrophobicContact CD1-CD1 3.53Å; L157-L729 HydrophobicContact CD1-CG 4.08Å; L157-F732 HydrophobicContact CD2-CB 4.1Å; L157-V736 HydrophobicContact CD2-CB 4.42Å; L157-V736 HydrophobicContact CD2-CG2 4.12Å
158	I	98.1	Very high	91.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-67.5	-37.5	179.6	-65.6	167.2	0	0	0	110.5	L154 Y160 V162 I703 A714 L717 E718 L721	L154-I158 HydrophobicContact CB-CD1 4.4Å; L154-I158 WeakPolarHBondContact O-CB 3.05Å; L154-I158 WeakPolarHBondContact O-CD1 3.46Å; L154-I158 WeakPolarHBondContact O-CG1 3.33Å; L154-I158 PolarHBondContact O-N 2.89Å; I158-Y160 VanDerWaalsContact C-N 3.27Å; I158-V162 HydrophobicContact CD1-CG1 4.19Å; I158-I703 HydrophobicContact CG2-CD1 3.95Å; I158-A714 HydrophobicContact CG2-CB 3.73Å; I158-L717 HydrophobicContact CB-CD2 4.27Å; I158-L717 HydrophobicContact CG1-CB 4.39Å; I158-L717 HydrophobicContact CG1-CD2 3.99Å; I158-L717 HydrophobicContact CG1-CG 4.02Å; I158-L717 HydrophobicContact CG2-CD2 4.25Å; I158-E718 HydrophobicContact CD1-CB 3.85Å; I158-E718 HydrophobicContact CD1-CG 4.47Å; I158-L721 HydrophobicContact CD1-CD1 4.38Å; I158-L721 HydrophobicContact CG1-CD1 3.77Å
159	G	95.6	Very high	91.6	Very high	55 Å²	55	49.7 Å²	49.7	57%	0.567	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	15.1	-170.7	0	0	0	0	0	113.4	T155 S156 L157	T155-G159 PolarHBondContact O-N 3.43Å; S156-G159 PolarHBondContact O-N 2.91Å; L157-G159 VanDerWaalsContact C-N 3.34Å
160	Y	95.2	Very high	91.2	Very high	33 Å²	33	48.8 Å²	48.8	13%	0.129	27%	0.273	C	S	.	.	S	Bend	trans	-150.9	142.6	177.6	-176.2	-99.2	0	0	0	110.4	I158 V162 I703 Q710 Q711 A714	I158-Y160 VanDerWaalsContact C-N 3.27Å; Y160-V162 HydrophobicContact CD1-CG1 4.47Å; Y160-V162 PolarHBondContact O-N 3.25Å; Y160-I703 HydrophobicContact CG-CG2 4.47Å; Y160-Q710 HydrophobicContact CD2-CG 4.44Å; Y160-Q710 HydrophobicContact CE2-CG 4.29Å; Y160-Q711 HydrophobicContact CE1-CG 3.99Å; Y160-Q711 VanDerWaalsContact OH-CG 3.3Å; Y160-Q711 WeakPolarHBondContact OH-CG 3.35Å; Y160-A714 HydrophobicContact CD1-CB 3.54Å; Y160-A714 HydrophobicContact CE1-CB 4.4Å; Y160-A714 HydrophobicContact CG-CB 4.21Å
161	D	94.1	Very high	91	Very high	64 Å²	64	49.9 Å²	49.9	34%	0.342	28%	0.28	S	S	.	.			trans	-87.1	102	176.9	-171.2	-2.6	0	0	0	111.1	T155 T163 D164	T155-D161 HydrophobicContact CG2-CB 4Å; D161-T163 PolarHBondContact O-N 2.86Å; D161-T163 WeakPolarHBondContact OD1-CB 3.46Å; D161-T163 PolarHBondContact OD1-N 3.27Å; D161-T163 PolarHBondContact OD1-OG1 3.4Å; D161-T163 PolarHBondContact OD2-OG1 3.32Å; D161-D164 HydrophobicContact CB-CB 4.27Å; D161-D164 VanDerWaalsContact O-CB 3.22Å; D161-D164 WeakPolarHBondContact O-CB 3.24Å; D161-D164 PolarHBondContact O-N 2.73Å; D161-D164 VanDerWaalsContact O-N 3.11Å
162	V	90.3	Very high	91	Very high	13 Å²	13	48.8 Å²	48.8	8%	0.079	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.6	176.4	-65.5	0	0	0	0	114.4	I158 Y160 R177 A714 E718	I158-V162 HydrophobicContact CD1-CG1 4.19Å; Y160-V162 HydrophobicContact CD1-CG1 4.47Å; Y160-V162 PolarHBondContact O-N 3.25Å; V162-R177 PolarHBondContact O-NH1 3.31Å; V162-A714 HydrophobicContact CG1-CB 3.52Å; V162-A714 WeakPolarHBondContact CG1-O 3.29Å; V162-E718 HydrophobicContact CG1-CB 4.32Å; V162-E718 HydrophobicContact CG2-CB 4.39Å; V162-E718 VanDerWaalsContact CG2-CD 3.47Å; V162-E718 HydrophobicContact CG2-CG 4.2Å; V162-E718 WeakPolarHBondContact CG2-OE2 3.13Å
163	T	88.6	Confident	90.9	Very high	63 Å²	63	42.4 Å²	42.4	39%	0.387	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-4.7	173.5	70.2	0	0	0	0	112.6	Q151 D161 I165	Q151-T163 HydrophobicContact CG-CG2 4.28Å; D161-T163 PolarHBondContact O-N 2.86Å; D161-T163 WeakPolarHBondContact OD1-CB 3.46Å; D161-T163 PolarHBondContact OD1-N 3.27Å; D161-T163 PolarHBondContact OD1-OG1 3.4Å; D161-T163 PolarHBondContact OD2-OG1 3.32Å; T163-I165 PolarHBondContact O-N 2.95Å
164	D	86.6	Confident	90.6	Very high	54 Å²	54	42.2 Å²	42.2	29%	0.289	25%	0.247	S	C	.	.			trans	-68.6	117.4	177.3	-179.8	21.8	0	0	0	111.8	D161 S166	D161-D164 HydrophobicContact CB-CB 4.27Å; D161-D164 VanDerWaalsContact O-CB 3.22Å; D161-D164 WeakPolarHBondContact O-CB 3.24Å; D161-D164 PolarHBondContact O-N 2.73Å; D161-D164 VanDerWaalsContact O-N 3.11Å; D164-S166 VanDerWaalsContact CG-OG 3.25Å; D164-S166 WeakPolarHBondContact OD1-CB 3.16Å; D164-S166 PolarHBondContact OD1-N 2.94Å; D164-S166 PolarHBondContact OD1-OG 2.95Å; D164-S166 PolarHBondContact OD2-OG 3.47Å; D164-S166 VanDerWaalsContact OD2-OG 3.04Å
165	I	82.7	Confident	90.4	Very high	134 Å²	134	42.3 Å²	42.3	69%	0.687	25%	0.247	S	C	*	.			trans	-106.5	9.4	176.5	60	169.2	0	0	0	112.5	T163 N167 V168	T163-I165 PolarHBondContact O-N 2.95Å; I165-N167 VanDerWaalsContact C-N 3.3Å; I165-N167 PolarHBondContact O-N 3.11Å; I165-V168 HydrophobicContact CB-CG2 4.01Å; I165-V168 HydrophobicContact CG2-CG2 4.45Å; I165-V168 WeakPolarHBondContact O-CG2 3.42Å
166	S	79	Confident	90.4	Very high	70 Å²	70	40.8 Å²	40.8	49%	0.49	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-29.8	-176.5	68	0	0	0	0	113.3	D164 K510	D164-S166 VanDerWaalsContact CG-OG 3.25Å; D164-S166 WeakPolarHBondContact OD1-CB 3.16Å; D164-S166 PolarHBondContact OD1-N 2.94Å; D164-S166 PolarHBondContact OD1-OG 2.95Å; D164-S166 PolarHBondContact OD2-OG 3.47Å; D164-S166 VanDerWaalsContact OD2-OG 3.04Å; S166-K510 WeakPolarHBondContact O-CE 3.33Å; S166-K510 PolarHBondContact O-NZ 3.16Å
167	N	84.1	Confident	90.3	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.053	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	48.1	-178.7	-170.8	48.5	0	0	0	112.4	I165 T506 N507 P508 Q711	I165-N167 VanDerWaalsContact C-N 3.3Å; I165-N167 PolarHBondContact O-N 3.11Å; N167-T506 PolarHBondContact ND2-O 3.4Å; N167-T506 PolarHBondContact OD1-OG1 3.23Å; N167-N507 PolarHBondContact OD1-O 3.09Å; N167-P508 HydrophobicContact CB-CB 4.21Å; N167-Q711 PolarHBondContact O-NE2 3.08Å
168	V	84.4	Confident	90.1	Very high	47 Å²	47	39.1 Å²	39.1	29%	0.285	22%	0.221	S	C	.	.			trans	-129.1	151.8	169.6	-59.6	0	0	0	0	110.2	I165 D170 L173	I165-V168 HydrophobicContact CB-CG2 4.01Å; I165-V168 HydrophobicContact CG2-CG2 4.45Å; I165-V168 WeakPolarHBondContact O-CG2 3.42Å; V168-D170 WeakPolarHBondContact CB-O 3.29Å; V168-D170 WeakPolarHBondContact CG2-O 3.24Å; V168-L173 HydrophobicContact CG1-CD1 3.58Å; V168-L173 HydrophobicContact CG1-CG 4.46Å
169	H	82.6	Confident	89.9	Confident	67 Å²	67	41.1 Å²	41.1	31%	0.31	23%	0.229	S	C	.	.	S	Bend	trans	-115.8	-0.8	175.2	60	-86.6	0	0	0	112.2	L466 R476	H169-L466 WeakPolarHBondContact NE2-CD1 3.5Å; H169-R476 PolarHBondContact CD2-NH1 3.22Å; H169-R476 PolarHBondContact NE2-NH1 3.07Å; H169-R476 PolarHBondContact NE2-NH2 3.46Å
170	D	86.1	Confident	89.9	Confident	39 Å²	39	38.6 Å²	38.6	21%	0.209	20%	0.202	C	C	.	.	S	Bend	trans	-149.1	-172.3	173	59.4	47.6	0	0	0	110.2	V168 E172 R476	V168-D170 WeakPolarHBondContact CB-O 3.29Å; V168-D170 WeakPolarHBondContact CG2-O 3.24Å; D170-E172 VanDerWaalsContact OD1-CB 3.27Å; D170-E172 WeakPolarHBondContact OD1-CB 3.15Å; D170-E172 PolarHBondContact OD1-N 3.31Å; D170-R476 IonicContact OD2-CZ 3.25Å; D170-R476 VanDerWaalsContact OD2-CZ 3.24Å; D170-R476 IonicContact OD2-NH1 3.97Å; D170-R476 PolarHBondContact OD2-NH1 3.29Å; D170-R476 IonicContact OD2-NH2 3.07Å; D170-R476 PolarHBondContact OD2-NH2 3.41Å
171	D	89.8	Confident	89.9	Confident	42 Å²	42	37.1 Å²	37.1	23%	0.225	20%	0.196	C	C	.	.	S	Bend	trans	-107.4	21.7	-179.9	67.8	-10.2	0	0	0	113.8	L173 E174 F175 H471 R472	D171-L173 VanDerWaalsContact C-N 3.28Å; D171-L173 PolarHBondContact O-N 3.25Å; D171-E174 PolarHBondContact O-N 3.35Å; D171-F175 VanDerWaalsContact O-CB 3.32Å; D171-F175 WeakPolarHBondContact O-CB 3.41Å; D171-F175 PolarHBondContact O-N 3.16Å; D171-H471 IonicContact OD1-CE1 2.83Å; D171-H471 PolarHBondContact OD1-CE1 3.1Å; D171-H471 IonicContact OD1-NE2 2.83Å; D171-H471 PolarHBondContact OD1-NE2 3.06Å; D171-R472 IonicContact OD1-CZ 2.67Å; D171-R472 VanDerWaalsContact OD1-CZ 3.27Å; D171-R472 IonicContact OD1-NH1 3.26Å; D171-R472 PolarHBondContact OD1-NH1 2.88Å; D171-R472 IonicContact OD1-NH2 3.85Å; D171-R472 PolarHBondContact OD1-NH2 3.15Å; D171-R472 IonicContact OD2-CZ 3.45Å; D171-R472 IonicContact OD2-NH1 3.18Å; D171-R472 IonicContact OD2-NH2 3.54Å; D171-R472 PolarHBondContact OD2-NH2 3.48Å
172	E	93.8	Very high	89.9	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.019	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-37.7	-178	-169	-176.1	164.6	0	0	112.3	D170 F175 T176 H471 Y672 H673	D170-E172 VanDerWaalsContact OD1-CB 3.27Å; D170-E172 WeakPolarHBondContact OD1-CB 3.15Å; D170-E172 PolarHBondContact OD1-N 3.31Å; E172-F175 PolarHBondContact O-N 2.94Å; E172-T176 WeakPolarHBondContact O-CB 3.45Å; E172-T176 PolarHBondContact O-N 3.48Å; E172-T176 PolarHBondContact O-OG1 3.46Å; E172-H471 VanDerWaalsContact CA-CE1 3.5Å; E172-H471 WeakPolarHBondContact CA-CE1 3.35Å; E172-H471 HydrophobicContact CG-CB 3.86Å; E172-Y672 WeakPolarHBondContact OE1-CA 3.48Å; E172-Y672 WeakPolarHBondContact OE1-CB 3.18Å; E172-H673 VanDerWaalsContact CD-CD2 3.42Å; E172-H673 HydrophobicContact CG-CB 4.5Å; E172-H673 IonicContact OE1-CD2 3.24Å; E172-H673 PolarHBondContact OE1-CD2 3.43Å; E172-H673 IonicContact OE1-CG 2.64Å; E172-H673 PolarHBondContact OE1-N 2.66Å; E172-H673 IonicContact OE2-CD2 2.59Å
173	L	92.4	Very high	90.1	Very high	21 Å²	21	36 Å²	36	11%	0.11	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-50.3	176.7	-71.7	177.6	0	0	0	111.7	V168 D171 T176 R177 H673 Q711 V715	V168-L173 HydrophobicContact CG1-CD1 3.58Å; V168-L173 HydrophobicContact CG1-CG 4.46Å; D171-L173 VanDerWaalsContact C-N 3.28Å; D171-L173 PolarHBondContact O-N 3.25Å; L173-T176 WeakPolarHBondContact O-CB 3.32Å; L173-T176 PolarHBondContact O-N 3.33Å; L173-R177 WeakPolarHBondContact O-CG 3.41Å; L173-R177 PolarHBondContact O-N 3.35Å; L173-H673 WeakPolarHBondContact CD2-NE2 3.37Å; L173-Q711 HydrophobicContact CD1-CB 3.81Å; L173-Q711 HydrophobicContact CD1-CG 3.99Å; L173-Q711 HydrophobicContact CD2-CB 3.97Å; L173-V715 HydrophobicContact CD2-CG2 4.02Å
174	E	91.6	Very high	90.5	Very high	66 Å²	66	33.2 Å²	33.2	31%	0.308	18%	0.175	S	C	.	.	H	α-helix	trans	-66.3	-40.4	179.3	-175.4	58	-155.7	0	0	111.3	D171 T176 R177 R178	D171-E174 PolarHBondContact O-N 3.35Å; E174-T176 VanDerWaalsContact C-N 3.28Å; E174-T176 PolarHBondContact O-N 2.97Å; E174-R177 WeakPolarHBondContact O-CB 3.22Å; E174-R177 PolarHBondContact O-N 2.96Å; E174-R177 WeakPolarHBondContact OE2-CD 3.39Å; E174-R177 IonicContact OE2-CZ 3.27Å; E174-R177 IonicContact OE2-NE 2.78Å; E174-R177 IonicContact OE2-NH1 3.76Å; E174-R177 PolarHBondContact OE2-NH1 3.46Å; E174-R178 WeakPolarHBondContact O-CG 3.45Å; E174-R178 PolarHBondContact O-N 3.38Å
175	F	93.1	Very high	90.9	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	17%	0.172	C	C	.	.	H	α-helix	trans	-56.3	-43.9	172.5	178.8	-91.4	0	0	0	111.7	Y110 D171 E172 R178 R179 T330 H471	Y110-F175 HydrophobicContact CD1-CD2 4.42Å; Y110-F175 AromaticContact CE1-CD2 3.97Å; Y110-F175 HydrophobicContact CE1-CD2 3.97Å; D171-F175 VanDerWaalsContact O-CB 3.32Å; D171-F175 WeakPolarHBondContact O-CB 3.41Å; D171-F175 PolarHBondContact O-N 3.16Å; E172-F175 PolarHBondContact O-N 2.94Å; F175-R178 PolarHBondContact O-N 3.3Å; F175-R179 HydrophobicContact CD1-CG 4.22Å; F175-R179 HydrophobicContact CE1-CG 3.95Å; F175-R179 VanDerWaalsContact CZ-CD 3.41Å; F175-R179 HydrophobicContact CZ-CG 4.21Å; F175-R179 WeakPolarHBondContact O-CG 3.49Å; F175-R179 PolarHBondContact O-N 3.29Å; F175-T330 HydrophobicContact CE2-CG2 3.9Å; F175-T330 HydrophobicContact CZ-CG2 4.44Å; F175-H471 AromaticContact CD1-CD2 3.34Å; F175-H471 WeakPolarHBondContact CD1-CD2 3.36Å; F175-H471 AromaticContact CD2-CD2 3.72Å; F175-H471 AromaticContact CD2-NE2 3.93Å; F175-H471 HydrophobicContact CE1-CB 4.46Å; F175-H471 AromaticContact CE1-CD2 3.64Å; F175-H471 AromaticContact CG-CD2 3.36Å; F175-H471 WeakPolarHBondContact CG-CD2 3.26Å; F175-H471 AromaticContact CG-NE2 3.66Å; F175-H471 AromaticContact CZ-CD2 3.97Å
176	T	95.3	Very high	91.4	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-44.1	177.8	-59.6	0	0	0	0	111.5	E172 L173 E174 R178 R179 L180 H673 D674 V715	E172-T176 WeakPolarHBondContact O-CB 3.45Å; E172-T176 PolarHBondContact O-N 3.48Å; E172-T176 PolarHBondContact O-OG1 3.46Å; L173-T176 WeakPolarHBondContact O-CB 3.32Å; L173-T176 PolarHBondContact O-N 3.33Å; E174-T176 VanDerWaalsContact C-N 3.28Å; E174-T176 PolarHBondContact O-N 2.97Å; T176-R178 PolarHBondContact O-N 3.18Å; T176-R179 PolarHBondContact O-N 3.12Å; T176-R179 VanDerWaalsContact O-N 3.12Å; T176-L180 HydrophobicContact CG2-CD1 3.92Å; T176-L180 HydrophobicContact CG2-CG 4.09Å; T176-L180 WeakPolarHBondContact O-CG 3.23Å; T176-L180 PolarHBondContact O-N 3.47Å; T176-H673 HydrophobicContact CG2-CB 3.97Å; T176-H673 VanDerWaalsContact OG1-CB 3.3Å; T176-H673 WeakPolarHBondContact OG1-CB 3.38Å; T176-D674 HydrophobicContact CG2-CB 3.96Å; T176-V715 HydrophobicContact CG2-CG1 3.71Å
177	R	95.1	Very high	92.3	Very high	18 Å²	18	26.8 Å²	26.8	7%	0.068	14%	0.144	C	C	.	.	H	α-helix	trans	-53.9	-43.2	175	-69.1	172	73.2	-153.6	-3.3	111.1	V162 L173 E174 V181 W323 V715 E718	V162-R177 PolarHBondContact O-NH1 3.31Å; L173-R177 WeakPolarHBondContact O-CG 3.41Å; L173-R177 PolarHBondContact O-N 3.35Å; E174-R177 WeakPolarHBondContact O-CB 3.22Å; E174-R177 PolarHBondContact O-N 2.96Å; E174-R177 WeakPolarHBondContact OE2-CD 3.39Å; E174-R177 IonicContact OE2-CZ 3.27Å; E174-R177 IonicContact OE2-NE 2.78Å; E174-R177 IonicContact OE2-NH1 3.76Å; E174-R177 PolarHBondContact OE2-NH1 3.46Å; R177-V181 WeakPolarHBondContact O-CG2 3.31Å; R177-W323 HydrophobicContact CB-CH2 4.34Å; R177-W323 HydrophobicContact CB-CZ3 4.27Å; R177-V715 HydrophobicContact CG-CB 4.29Å; R177-V715 HydrophobicContact CG-CG1 3.64Å; R177-V715 HydrophobicContact CG-CG2 3.8Å; R177-E718 IonicContact CZ-OE1 3.22Å; R177-E718 IonicContact CZ-OE2 2.77Å; R177-E718 IonicContact NE-OE1 3.08Å; R177-E718 IonicContact NE-OE2 3.68Å; R177-E718 PolarHBondContact NE-OE2 3.32Å; R177-E718 IonicContact NH2-OE1 3.47Å; R177-E718 PolarHBondContact NH2-OE1 2.91Å; R177-E718 IonicContact NH2-OE2 3.92Å; R177-E718 PolarHBondContact NH2-OE2 3.49Å
178	R	93.7	Very high	92.9	Very high	17 Å²	17	27.6 Å²	27.6	6%	0.064	15%	0.15	C	C	.	.	H	α-helix	trans	-68.2	-42	176.5	-66.2	-59.8	-55.5	-146	-7.6	113.3	E108 Y110 E174 F175 T176 V181 P324 V326	E108-R178 IonicContact OE2-CZ 2.68Å; E108-R178 IonicContact OE2-NH1 3.03Å; E108-R178 IonicContact OE2-NH2 2.69Å; E108-R178 PolarHBondContact OE2-NH2 3.22Å; Y110-R178 HydrophobicContact CD2-CG 4.33Å; Y110-R178 HydrophobicContact CE1-CB 4.25Å; Y110-R178 HydrophobicContact CE1-CG 4.19Å; Y110-R178 HydrophobicContact CE2-CG 3.74Å; E174-R178 WeakPolarHBondContact O-CG 3.45Å; E174-R178 PolarHBondContact O-N 3.38Å; F175-R178 PolarHBondContact O-N 3.3Å; T176-R178 PolarHBondContact O-N 3.18Å; R178-V181 WeakPolarHBondContact O-CB 3.41Å; R178-V181 VanDerWaalsContact O-CG2 3.31Å; R178-V181 WeakPolarHBondContact O-CG2 3.32Å; R178-V181 PolarHBondContact O-N 2.92Å; R178-P324 PolarHBondContact NH2-O 2.85Å; R178-V326 HydrophobicContact CB-CG2 4.26Å
179	R	94.2	Very high	93.4	Very high	43 Å²	43	29.7 Å²	29.7	16%	0.162	17%	0.171	C	C	.	.	H	α-helix	trans	-70.4	-29.3	179.5	-72.7	-162.6	75.7	-160.4	14.1	113.9	F175 T176 V181 P183 D674 R679	F175-R179 HydrophobicContact CD1-CG 4.22Å; F175-R179 HydrophobicContact CE1-CG 3.95Å; F175-R179 VanDerWaalsContact CZ-CD 3.41Å; F175-R179 HydrophobicContact CZ-CG 4.21Å; F175-R179 WeakPolarHBondContact O-CG 3.49Å; F175-R179 PolarHBondContact O-N 3.29Å; T176-R179 PolarHBondContact O-N 3.12Å; T176-R179 VanDerWaalsContact O-N 3.12Å; R179-V181 VanDerWaalsContact C-N 3.27Å; R179-V181 PolarHBondContact O-N 2.64Å; R179-P183 WeakPolarHBondContact O-CD 3.42Å; R179-D674 WeakPolarHBondContact CB-OD2 3.32Å; R179-D674 VanDerWaalsContact CD-OD2 3.23Å; R179-D674 WeakPolarHBondContact CD-OD2 3.48Å; R179-D674 IonicContact CZ-OD2 2.75Å; R179-D674 IonicContact NE-OD2 3.16Å; R179-D674 PolarHBondContact NE-OD2 2.92Å; R179-D674 IonicContact NH1-OD2 3.83Å; R179-D674 PolarHBondContact NH1-OD2 3.39Å; R179-R679 VanDerWaalsContact NH2-NH2 3.18Å
180	L	95.8	Very high	94	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.1	178.2	-67.9	-178.1	0	0	0	114	T176 P183 R184 R679 L682 V715 A719	T176-L180 HydrophobicContact CG2-CD1 3.92Å; T176-L180 HydrophobicContact CG2-CG 4.09Å; T176-L180 WeakPolarHBondContact O-CG 3.23Å; T176-L180 PolarHBondContact O-N 3.47Å; L180-P183 HydrophobicContact CD2-CG 4.35Å; L180-P183 WeakPolarHBondContact O-CD 3.29Å; L180-P183 WeakPolarHBondContact O-CG 3.45Å; L180-R184 VanDerWaalsContact O-CB 3.25Å; L180-R184 WeakPolarHBondContact O-CB 3.4Å; L180-R184 PolarHBondContact O-N 2.99Å; L180-R679 HydrophobicContact CD2-CG 3.98Å; L180-L682 HydrophobicContact CB-CD2 4.23Å; L180-L682 HydrophobicContact CD2-CD2 4.11Å; L180-V715 HydrophobicContact CD1-CG1 4.02Å; L180-A719 HydrophobicContact CB-CB 3.92Å; L180-A719 HydrophobicContact CD1-CB 3.97Å
181	V	95.4	Very high	94.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-48.9	175.6	-177.2	0	0	0	0	111.5	R177 R178 R179 R184 M185 E321 W323 L325	R177-V181 WeakPolarHBondContact O-CG2 3.31Å; R178-V181 WeakPolarHBondContact O-CB 3.41Å; R178-V181 VanDerWaalsContact O-CG2 3.31Å; R178-V181 WeakPolarHBondContact O-CG2 3.32Å; R178-V181 PolarHBondContact O-N 2.92Å; R179-V181 VanDerWaalsContact C-N 3.27Å; R179-V181 PolarHBondContact O-N 2.64Å; V181-R184 PolarHBondContact O-N 3.2Å; V181-M185 HydrophobicContact CG1-CG 4.09Å; V181-M185 WeakPolarHBondContact O-CB 3.47Å; V181-M185 VanDerWaalsContact O-CG 3.23Å; V181-M185 WeakPolarHBondContact O-CG 3.38Å; V181-M185 PolarHBondContact O-N 2.87Å; V181-E321 HydrophobicContact CG1-CG 3.86Å; V181-W323 HydrophobicContact CG2-CE3 3.56Å; V181-W323 HydrophobicContact CG2-CZ3 4.14Å; V181-L325 HydrophobicContact CG1-CD2 3.81Å
182	T	92.6	Very high	94.8	Very high	27 Å²	27	31.6 Å²	31.6	17%	0.166	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-54	-176.9	-58.6	0	0	0	0	112.8	R184 M185 A186 V326	T182-R184 VanDerWaalsContact C-N 3.31Å; T182-R184 PolarHBondContact O-N 3.25Å; T182-M185 PolarHBondContact O-N 2.84Å; T182-A186 WeakPolarHBondContact O-CB 3.46Å; T182-A186 PolarHBondContact O-N 3.1Å; T182-V326 PolarHBondContact OG1-O 2.99Å
183	P	94.9	Very high	94.9	Very high	27 Å²	27	34 Å²	34	18%	0.175	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-36.4	177.5	23.9	-32.6	0	0	0	112.4	R179 L180 E187 R679	R179-P183 WeakPolarHBondContact O-CD 3.42Å; L180-P183 HydrophobicContact CD2-CG 4.35Å; L180-P183 WeakPolarHBondContact O-CD 3.29Å; L180-P183 WeakPolarHBondContact O-CG 3.45Å; P183-E187 PolarHBondContact O-N 3.49Å; P183-E187 VanDerWaalsContact O-N 3.08Å; P183-R679 HydrophobicContact CG-CG 4.45Å
184	R	96.9	Very high	95	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.019	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-48.8	175.3	-173.2	-156.6	70.3	-157	-2.8	111.4	L180 V181 T182 E187 V188 E321 L682 L686 A719	L180-R184 VanDerWaalsContact O-CB 3.25Å; L180-R184 WeakPolarHBondContact O-CB 3.4Å; L180-R184 PolarHBondContact O-N 2.99Å; V181-R184 PolarHBondContact O-N 3.2Å; T182-R184 VanDerWaalsContact C-N 3.31Å; T182-R184 PolarHBondContact O-N 3.25Å; R184-E187 PolarHBondContact O-N 3.34Å; R184-V188 VanDerWaalsContact O-CG2 3.29Å; R184-V188 WeakPolarHBondContact O-CG2 3.49Å; R184-V188 PolarHBondContact O-N 2.91Å; R184-E321 IonicContact CZ-OE2 2.77Å; R184-E321 IonicContact NH1-OE2 3.36Å; R184-E321 PolarHBondContact NH1-OE2 2.57Å; R184-E321 IonicContact NH2-OE2 3.56Å; R184-E321 PolarHBondContact NH2-OE2 3.34Å; R184-L682 HydrophobicContact CB-CD2 4.34Å; R184-L686 HydrophobicContact CB-CD1 4.04Å; R184-L686 HydrophobicContact CG-CD1 3.57Å; R184-A719 WeakPolarHBondContact CD-O 3.48Å; R184-A719 WeakPolarHBondContact CG-O 3.47Å
185	M	95.2	Very high	95.2	Very high	44 Å²	44	40.1 Å²	40.1	22%	0.217	25%	0.245	C	C	.	.	H	α-helix	trans	-67.5	-38.1	-179.3	-68.3	-86.5	66.8	0	0	112.5	V181 T182 E187 V188 A189 E321 L325	V181-M185 HydrophobicContact CG1-CG 4.09Å; V181-M185 WeakPolarHBondContact O-CB 3.47Å; V181-M185 VanDerWaalsContact O-CG 3.23Å; V181-M185 WeakPolarHBondContact O-CG 3.38Å; V181-M185 PolarHBondContact O-N 2.87Å; T182-M185 PolarHBondContact O-N 2.84Å; M185-E187 VanDerWaalsContact C-N 3.32Å; M185-E187 PolarHBondContact O-N 3.36Å; M185-V188 HydrophobicContact CE-CB 4.18Å; M185-V188 HydrophobicContact CE-CG1 4.22Å; M185-V188 PolarHBondContact O-N 3.46Å; M185-A189 VanDerWaalsContact O-CB 3.31Å; M185-A189 WeakPolarHBondContact O-CB 3.45Å; M185-A189 PolarHBondContact O-N 3.12Å; M185-E321 HydrophobicContact SD-CB 3.57Å; M185-E321 VanDerWaalsContact SD-CB 3.57Å; M185-E321 HydrophobicContact SD-CG 4.17Å; M185-L325 HydrophobicContact CG-CD2 4.27Å
186	A	94.1	Very high	95.4	Very high	65 Å²	65	40.2 Å²	40.2	54%	0.537	25%	0.245	S	C	.	.	H	α-helix	trans	-59.7	-43.9	174.6	0	0	0	0	0	111.4	T182 G190	T182-A186 WeakPolarHBondContact O-CB 3.46Å; T182-A186 PolarHBondContact O-N 3.1Å; A186-G190 PolarHBondContact O-N 3.09Å
187	E	97.2	Very high	95.5	Very high	13 Å²	13	40.4 Å²	40.4	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-71.5	-42.8	179.2	-170.6	56.3	-145.1	0	0	112.5	P183 R184 M185 A189 G190 R191 K683 L686 R687	P183-E187 PolarHBondContact O-N 3.49Å; P183-E187 VanDerWaalsContact O-N 3.08Å; R184-E187 PolarHBondContact O-N 3.34Å; M185-E187 VanDerWaalsContact C-N 3.32Å; M185-E187 PolarHBondContact O-N 3.36Å; E187-A189 VanDerWaalsContact C-N 3.28Å; E187-A189 PolarHBondContact O-N 2.79Å; E187-G190 PolarHBondContact O-N 3.46Å; E187-G190 VanDerWaalsContact O-N 3.13Å; E187-R191 PolarHBondContact O-N 3.45Å; E187-K683 HydrophobicContact CG-CG 4.12Å; E187-K683 VanDerWaalsContact OE2-CG 3.23Å; E187-K683 WeakPolarHBondContact OE2-CG 3.49Å; E187-L686 HydrophobicContact CB-CB 4.3Å; E187-L686 HydrophobicContact CB-CD1 4.38Å; E187-L686 HydrophobicContact CG-CB 3.73Å; E187-R687 VanDerWaalsContact OE1-CB 3.25Å; E187-R687 WeakPolarHBondContact OE1-CB 3.43Å; E187-R687 WeakPolarHBondContact OE1-CG 3.26Å; E187-R687 IonicContact OE1-CZ 3.81Å; E187-R687 IonicContact OE1-NE 3.25Å; E187-R687 PolarHBondContact OE1-NE 3.35Å; E187-R687 IonicContact OE1-NH2 2.73Å; E187-R687 PolarHBondContact OE1-NH2 3.48Å; E187-R687 IonicContact OE2-CZ 3.55Å; E187-R687 IonicContact OE2-NE 3.93Å; E187-R687 IonicContact OE2-NH2 3.12Å; E187-R687 PolarHBondContact OE2-NH2 3.26Å
188	V	96.3	Very high	95.6	Very high	28 Å²	28	40.3 Å²	40.3	17%	0.17	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-39.2	176.2	169.6	0	0	0	0	111.6	R184 M185 V318	R184-V188 VanDerWaalsContact O-CG2 3.29Å; R184-V188 WeakPolarHBondContact O-CG2 3.49Å; R184-V188 PolarHBondContact O-N 2.91Å; M185-V188 HydrophobicContact CE-CB 4.18Å; M185-V188 HydrophobicContact CE-CG1 4.22Å; M185-V188 PolarHBondContact O-N 3.46Å; V188-V318 HydrophobicContact CG1-CB 4.11Å; V188-V318 HydrophobicContact CG1-CG1 4.38Å; V188-V318 HydrophobicContact CG1-CG2 3.77Å; V188-V318 HydrophobicContact CG2-CG2 4.36Å
189	A	95	Very high	95.6	Very high	90 Å²	90	40.7 Å²	40.7	74%	0.744	25%	0.25	S	S	*	.	H	α-helix	trans	-76.3	-25.8	177.4	0	0	0	0	0	113.4	M185 E187	M185-A189 VanDerWaalsContact O-CB 3.31Å; M185-A189 WeakPolarHBondContact O-CB 3.45Å; M185-A189 PolarHBondContact O-N 3.12Å; E187-A189 VanDerWaalsContact C-N 3.28Å; E187-A189 PolarHBondContact O-N 2.79Å
190	G	95.9	Very high	95.7	Very high	63 Å²	63	39.9 Å²	39.9	65%	0.649	25%	0.251	S	S	*	.	H	α-helix	trans	-92.2	-17.5	-176.1	0	0	0	0	0	115.3	A186 E187	A186-G190 PolarHBondContact O-N 3.09Å; E187-G190 PolarHBondContact O-N 3.46Å; E187-G190 VanDerWaalsContact O-N 3.13Å
191	R	95.5	Very high	95.8	Very high	35 Å²	35	42.4 Å²	42.4	13%	0.132	26%	0.26	C	S	.	.	S	Bend	trans	-74.3	144.2	-178.1	73.8	-176	-176.1	-162.2	-0.7	112.2	E187 A193 Y196 D316 L686 G723	E187-R191 PolarHBondContact O-N 3.45Å; R191-A193 PolarHBondContact O-N 3.01Å; R191-Y196 VanDerWaalsContact CZ-CE1 3.42Å; R191-Y196 PolarHBondContact NH1-OH 3.32Å; R191-D316 PolarHBondContact NH2-O 3.08Å; R191-L686 WeakPolarHBondContact CD-O 3.38Å; R191-L686 PolarHBondContact NH1-O 2.89Å; R191-G723 PolarHBondContact NH1-O 3.21Å
192	D	96.8	Very high	95.9	Very high	90 Å²	90	44.3 Å²	44.3	48%	0.481	27%	0.272	S	S	.	.			trans	-72.4	120.5	170.4	-178.2	-75.6	0	0	0	110	K194 L195 Y196	D192-K194 VanDerWaalsContact C-N 3.33Å; D192-K194 PolarHBondContact O-N 2.93Å; D192-K194 WeakPolarHBondContact OD1-CA 3.49Å; D192-K194 WeakPolarHBondContact OD1-CB 3.31Å; D192-K194 PolarHBondContact OD1-N 3.24Å; D192-L195 HydrophobicContact CB-CB 4.07Å; D192-L195 HydrophobicContact CB-CD1 4.08Å; D192-L195 HydrophobicContact CB-CG 4.23Å; D192-L195 PolarHBondContact OD1-N 3.31Å; D192-Y196 VanDerWaalsContact O-CB 3.24Å; D192-Y196 WeakPolarHBondContact O-CB 3.38Å; D192-Y196 PolarHBondContact O-N 3.26Å
193	A	95.9	Very high	95.9	Very high	56 Å²	56	43.2 Å²	43.2	46%	0.463	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-35.7	-173.6	0	0	0	0	0	112.8	R191 A197 P313	R191-A193 PolarHBondContact O-N 3.01Å; A193-A197 WeakPolarHBondContact O-CB 3.46Å; A193-A197 PolarHBondContact O-N 2.87Å; A193-A197 VanDerWaalsContact O-N 3.11Å; A193-P313 HydrophobicContact CB-CB 3.82Å
194	K	95	Very high	95.8	Very high	139 Å²	139	46.5 Å²	46.5	60%	0.604	29%	0.289	S	S	*	.	H	α-helix	trans	-75.1	-46.6	-178.9	-68.9	-175.2	178.3	-175.4	0	111.2	D192 Y196 A197 M198 P313	D192-K194 VanDerWaalsContact C-N 3.33Å; D192-K194 PolarHBondContact O-N 2.93Å; D192-K194 WeakPolarHBondContact OD1-CA 3.49Å; D192-K194 WeakPolarHBondContact OD1-CB 3.31Å; D192-K194 PolarHBondContact OD1-N 3.24Å; K194-Y196 VanDerWaalsContact C-N 3.3Å; K194-Y196 PolarHBondContact O-N 3.5Å; K194-A197 PolarHBondContact O-N 3.11Å; K194-M198 HydrophobicContact CB-CE 3.95Å; K194-M198 VanDerWaalsContact O-CE 3.28Å; K194-M198 WeakPolarHBondContact O-CE 3.26Å; K194-M198 PolarHBondContact O-N 3.25Å; K194-P313 HydrophobicContact CG-CG 4.05Å
195	L	96	Very high	95.5	Very high	76 Å²	76	48.2 Å²	48.2	40%	0.398	30%	0.296	S	S	.	.	H	α-helix	trans	-66	-33.9	176.8	-66	177.5	0	0	0	111.4	D192 H199 P200 V282	D192-L195 HydrophobicContact CB-CB 4.07Å; D192-L195 HydrophobicContact CB-CD1 4.08Å; D192-L195 HydrophobicContact CB-CG 4.23Å; D192-L195 PolarHBondContact OD1-N 3.31Å; L195-H199 WeakPolarHBondContact O-CA 3.28Å; L195-H199 PolarHBondContact O-N 3.31Å; L195-P200 HydrophobicContact CD2-CG 4.22Å; L195-V282 HydrophobicContact CD2-CG2 4.42Å
196	Y	97.4	Very high	95.4	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.012	32%	0.32	C	S	.	.	H	α-helix	trans	-65.8	-44.5	173	-176.1	-107	0	0	0	112	R191 D192 K194 M198 D316 L686 R687 K689 C724 M728	R191-Y196 VanDerWaalsContact CZ-CE1 3.42Å; R191-Y196 PolarHBondContact NH1-OH 3.32Å; D192-Y196 VanDerWaalsContact O-CB 3.24Å; D192-Y196 WeakPolarHBondContact O-CB 3.38Å; D192-Y196 PolarHBondContact O-N 3.26Å; K194-Y196 VanDerWaalsContact C-N 3.3Å; K194-Y196 PolarHBondContact O-N 3.5Å; Y196-M198 VanDerWaalsContact C-N 3.34Å; Y196-M198 PolarHBondContact O-N 2.7Å; Y196-D316 HydrophobicContact CD1-CB 4.05Å; Y196-D316 HydrophobicContact CE1-CB 4.07Å; Y196-L686 WeakPolarHBondContact CE2-O 3.34Å; Y196-R687 WeakPolarHBondContact CD2-O 3.25Å; Y196-K689 HydrophobicContact CD1-CG 4.47Å; Y196-K689 HydrophobicContact CD2-CG 4.08Å; Y196-K689 HydrophobicContact CE1-CD 4.4Å; Y196-K689 HydrophobicContact CE1-CG 4.12Å; Y196-K689 HydrophobicContact CE2-CG 3.7Å; Y196-K689 HydrophobicContact CG-CG 4.47Å; Y196-K689 VanDerWaalsContact O-CD 3.26Å; Y196-K689 WeakPolarHBondContact O-CD 3.41Å; Y196-K689 WeakPolarHBondContact O-CE 3.49Å; Y196-K689 WeakPolarHBondContact O-CG 3.43Å; Y196-C724 WeakPolarHBondContact OH-CA 3.39Å; Y196-C724 PolarHBondContact OH-O 3.06Å; Y196-M728 WeakPolarHBondContact OH-CE 3.1Å
197	A	96.9	Very high	95.2	Very high	7 Å²	7	49.8 Å²	49.8	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-60.7	-42.9	179	0	0	0	0	0	112.2	A193 K194 H199 P311 D316	A193-A197 WeakPolarHBondContact O-CB 3.46Å; A193-A197 PolarHBondContact O-N 2.87Å; A193-A197 VanDerWaalsContact O-N 3.11Å; K194-A197 PolarHBondContact O-N 3.11Å; A197-H199 PolarHBondContact O-ND1 2.88Å; A197-P311 HydrophobicContact CB-CG 4.15Å; A197-D316 WeakPolarHBondContact CA-OD2 3.44Å
198	M	96.6	Very high	94.9	Very high	16 Å²	16	49.7 Å²	49.7	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-95	-18.8	-175.1	-67.6	-178.9	-69.3	0	0	114.9	K194 Y196 V271 Y280 V282 P310 P311	K194-M198 HydrophobicContact CB-CE 3.95Å; K194-M198 VanDerWaalsContact O-CE 3.28Å; K194-M198 WeakPolarHBondContact O-CE 3.26Å; K194-M198 PolarHBondContact O-N 3.25Å; Y196-M198 VanDerWaalsContact C-N 3.34Å; Y196-M198 PolarHBondContact O-N 2.7Å; M198-V271 HydrophobicContact SD-CB 4.47Å; M198-V271 HydrophobicContact SD-CG2 3.93Å; M198-Y280 HydrophobicContact CB-CD1 4.45Å; M198-Y280 HydrophobicContact CB-CD2 4.09Å; M198-Y280 HydrophobicContact CB-CG 3.89Å; M198-Y280 HydrophobicContact CG-CD1 4.07Å; M198-Y280 HydrophobicContact CG-CD2 4.36Å; M198-Y280 HydrophobicContact CG-CE1 4.47Å; M198-Y280 HydrophobicContact CG-CG 4Å; M198-Y280 WeakPolarHBondContact O-CD2 3.42Å; M198-Y280 HydrophobicContact SD-CD1 4.35Å; M198-V282 HydrophobicContact CB-CG2 3.94Å; M198-V282 HydrophobicContact CE-CB 4.39Å; M198-V282 HydrophobicContact CE-CG1 4.13Å; M198-V282 HydrophobicContact CE-CG2 4.19Å; M198-V282 HydrophobicContact SD-CG1 3.74Å; M198-V282 HydrophobicContact SD-CG2 4.32Å; M198-P310 HydrophobicContact SD-CB 4.23Å; M198-P311 HydrophobicContact CG-CG 3.53Å
199	H	94.8	Very high	94.6	Very high	24 Å²	24	53 Å²	53	11%	0.111	32%	0.319	C	S	.	.			trans	39.1	64.1	173	64.5	-76.7	0	0	0	115.3	L195 A197 W201 K689	L195-H199 WeakPolarHBondContact O-CA 3.28Å; L195-H199 PolarHBondContact O-N 3.31Å; A197-H199 PolarHBondContact O-ND1 2.88Å; H199-W201 PolarHBondContact O-N 3.04Å; H199-K689 HydrophobicContact CB-CB 4.05Å; H199-K689 HydrophobicContact CB-CG 4.44Å
200	P	96.3	Very high	94.3	Very high	26 Å²	26	51 Å²	51	17%	0.169	29%	0.293	C	S	.	.			trans	-57.7	128.6	-175.8	25.3	-34.7	0	0	0	111.9	L195 V202 V282 F290	L195-P200 HydrophobicContact CD2-CG 4.22Å; P200-V202 HydrophobicContact CB-CG1 4.19Å; P200-V282 HydrophobicContact CB-CG2 4Å; P200-V282 HydrophobicContact CG-CG2 4.1Å; P200-F290 HydrophobicContact CB-CE1 4.06Å
201	W	97.1	Very high	94	Very high	56 Å²	56	48.2 Å²	48.2	21%	0.212	26%	0.263	C	S	.	.			trans	-94.7	100.2	177.8	-169.4	15.5	0	0	0	110.3	H199 E279 Q291 D654 R690	H199-W201 PolarHBondContact O-N 3.04Å; W201-E279 VanDerWaalsContact CE3-OE1 3.25Å; W201-Q291 HydrophobicContact CD2-CB 3.72Å; W201-Q291 HydrophobicContact CD2-CG 4Å; W201-Q291 HydrophobicContact CE3-CB 4.05Å; W201-Q291 HydrophobicContact CG-CB 4.01Å; W201-Q291 HydrophobicContact CG-CG 4.01Å; W201-Q291 HydrophobicContact CH2-CB 4.48Å; W201-Q291 HydrophobicContact CZ2-CB 4.22Å; W201-Q291 HydrophobicContact CZ2-CG 4.27Å; W201-Q291 HydrophobicContact CZ3-CB 4.4Å; W201-Q291 PolarHBondContact O-N 2.9Å; W201-D654 PolarHBondContact NE1-OD1 3.49Å; W201-R690 VanDerWaalsContact CE3-CZ 3.46Å; W201-R690 VanDerWaalsContact CZ3-CZ 3.49Å; W201-R690 VanDerWaalsContact CZ3-NH2 3.26Å
202	V	96.5	Very high	93.8	Very high	41 Å²	41	48.9 Å²	48.9	25%	0.248	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-133.2	161.7	-169.3	-62	0	0	0	0	111.3	P200 T285 N289 F290	P200-V202 HydrophobicContact CB-CG1 4.19Å; V202-T285 HydrophobicContact CB-CG2 4.09Å; V202-T285 HydrophobicContact CG1-CG2 3.8Å; V202-N289 CarbonylContact C-O 3.51Å; V202-N289 VanDerWaalsContact CA-O 3.28Å; V202-N289 WeakPolarHBondContact CA-O 3.33Å; V202-F290 HydrophobicContact CG1-CD1 3.54Å; V202-F290 HydrophobicContact CG1-CD2 4.48Å; V202-F290 HydrophobicContact CG1-CE1 3.5Å; V202-F290 VanDerWaalsContact CG1-CE1 3.5Å; V202-F290 HydrophobicContact CG1-CE2 4.47Å; V202-F290 HydrophobicContact CG1-CG 4.05Å; V202-F290 HydrophobicContact CG1-CZ 4Å
203	T	94.3	Very high	93.4	Very high	4 Å²	4	52.8 Å²	52.8	3%	0.025	29%	0.286	C	S	.	.			trans	-133.5	146.2	171.5	178.7	0	0	0	0	111	K205 N289 E652	T203-K205 WeakPolarHBondContact OG1-CB 3.26Å; T203-K205 WeakPolarHBondContact OG1-CG 3.4Å; T203-K205 PolarHBondContact OG1-N 3.11Å; T203-K205 VanDerWaalsContact OG1-N 3.11Å; T203-N289 PolarHBondContact N-O 3.18Å; T203-N289 WeakPolarHBondContact O-CB 3.38Å; T203-E652 PolarHBondContact OG1-OE1 3.01Å
204	S	92	Very high	93.1	Very high	96 Å²	96	56.1 Å²	56.1	67%	0.671	29%	0.29	S	S	*	.			trans	-86.5	-8.6	171.7	66.7	0	0	0	0	113.4	E652	S204-E652 WeakPolarHBondContact CB-OE2 3.41Å; S204-E652 PolarHBondContact N-OE2 3.32Å; S204-E652 PolarHBondContact OG-OE2 3.03Å
205	K	91	Very high	92.9	Very high	40 Å²	40	50.6 Å²	50.6	17%	0.174	27%	0.267	C	S	.	.	S	Bend	trans	-59.9	145.9	-179.9	-66.2	170.4	-171.4	165.1	0	110.7	T203 R294 D654 D655	T203-K205 WeakPolarHBondContact OG1-CB 3.26Å; T203-K205 WeakPolarHBondContact OG1-CG 3.4Å; T203-K205 PolarHBondContact OG1-N 3.11Å; T203-K205 VanDerWaalsContact OG1-N 3.11Å; K205-R294 PolarHBondContact O-NH1 3.01Å; K205-R294 PolarHBondContact O-NH2 3.28Å; K205-D654 IonicContact NZ-OD2 3.17Å; K205-D655 VanDerWaalsContact CE-OD1 3.26Å; K205-D655 WeakPolarHBondContact CE-OD1 3.39Å; K205-D655 IonicContact NZ-OD1 3.1Å; K205-D655 PolarHBondContact NZ-OD1 2.95Å
206	P	91.9	Very high	92.7	Very high	111 Å²	111	51.7 Å²	51.7	72%	0.721	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-60.8	161.3	173.7	28.4	-34.8	0	0	0	110.9	P208 R294	P206-P208 WeakPolarHBondContact O-CD 3.37Å; P206-R294 PolarHBondContact O-NH1 3.4Å; P206-R294 VanDerWaalsContact O-NH1 3.15Å
207	L	90.9	Very high	92.3	Very high	32 Å²	32	58 Å²	58	17%	0.168	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-75.9	121.6	174	-165.8	75.4	0	0	0	108.4	L211 I215 R294	L207-L211 HydrophobicContact CD1-CB 3.92Å; L207-L211 HydrophobicContact CD1-CD1 3.98Å; L207-L211 HydrophobicContact CD2-CB 4.24Å; L207-L211 HydrophobicContact CG-CB 3.83Å; L207-I215 HydrophobicContact CD2-CD1 3.47Å; L207-I215 VanDerWaalsContact CD2-CD1 3.47Å; L207-I215 HydrophobicContact CD2-CG1 4.41Å; L207-R294 HydrophobicContact CD1-CG 4.14Å
208	P	91.5	Very high	92.1	Very high	10 Å²	10	61 Å²	61	7%	0.065	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-60.2	153	179.5	-23.2	32.3	0	0	0	112.8	P206 Y210 L211 S212 E856	P206-P208 WeakPolarHBondContact O-CD 3.37Å; P208-Y210 VanDerWaalsContact C-N 3.26Å; P208-Y210 HydrophobicContact CB-CD1 3.74Å; P208-Y210 HydrophobicContact CB-CE1 3.32Å; P208-Y210 HydrophobicContact CB-CE2 4.44Å; P208-Y210 HydrophobicContact CB-CG 4.45Å; P208-Y210 HydrophobicContact CG-CE1 4.02Å; P208-Y210 PolarHBondContact O-N 3.4Å; P208-Y210 VanDerWaalsContact O-N 3.17Å; P208-L211 PolarHBondContact O-N 2.97Å; P208-S212 PolarHBondContact O-N 2.73Å; P208-E856 HydrophobicContact CB-CG 4.39Å; P208-E856 HydrophobicContact CG-CG 3.45Å; P208-E856 VanDerWaalsContact CG-CG 3.45Å; P208-E856 VanDerWaalsContact CG-OE1 3.22Å; P208-E856 WeakPolarHBondContact CG-OE1 3.08Å
209	D	89.9	Confident	92	Very high	98 Å²	98	62 Å²	62	52%	0.524	33%	0.334	S	S	.	.	H	α-helix	trans	-54.9	-39.6	-176.7	-80.1	-3.2	0	0	0	113.2	L211 S212 K213 C859	D209-L211 VanDerWaalsContact C-N 3.32Å; D209-L211 PolarHBondContact O-N 3.09Å; D209-S212 WeakPolarHBondContact CA-OG 3.42Å; D209-S212 PolarHBondContact O-N 3.42Å; D209-S212 PolarHBondContact O-OG 2.84Å; D209-K213 WeakPolarHBondContact O-CG 3.27Å; D209-K213 PolarHBondContact O-N 3.32Å; D209-C859 HydrophobicContact CB-CB 4.39Å
210	Y	88.6	Confident	92.1	Very high	48 Å²	48	61.2 Å²	61.2	19%	0.188	33%	0.33	C	S	.	.	H	α-helix	trans	-68.6	-28.8	179.6	63	-95.8	0	0	0	113.1	P208 D861	P208-Y210 VanDerWaalsContact C-N 3.26Å; P208-Y210 HydrophobicContact CB-CD1 3.74Å; P208-Y210 HydrophobicContact CB-CE1 3.32Å; P208-Y210 HydrophobicContact CB-CE2 4.44Å; P208-Y210 HydrophobicContact CB-CG 4.45Å; P208-Y210 HydrophobicContact CG-CE1 4.02Å; P208-Y210 PolarHBondContact O-N 3.4Å; P208-Y210 VanDerWaalsContact O-N 3.17Å; Y210-D861 HydrophobicContact CD1-CB 4.22Å; Y210-D861 HydrophobicContact CD2-CB 3.89Å; Y210-D861 HydrophobicContact CE1-CB 4.14Å; Y210-D861 HydrophobicContact CE2-CB 3.81Å; Y210-D861 HydrophobicContact CG-CB 4.11Å
211	L	89.8	Confident	92	Very high	4 Å²	4	65.4 Å²	65.4	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-81.9	-36.6	172.2	-66.7	-170.6	0	0	0	111.7	L207 P208 D209 K213 K214 R294 L297 K298	L207-L211 HydrophobicContact CD1-CB 3.92Å; L207-L211 HydrophobicContact CD1-CD1 3.98Å; L207-L211 HydrophobicContact CD2-CB 4.24Å; L207-L211 HydrophobicContact CG-CB 3.83Å; P208-L211 PolarHBondContact O-N 2.97Å; D209-L211 VanDerWaalsContact C-N 3.32Å; D209-L211 PolarHBondContact O-N 3.09Å; L211-K213 PolarHBondContact O-N 2.87Å; L211-K214 VanDerWaalsContact O-CB 3.3Å; L211-K214 WeakPolarHBondContact O-CB 3.45Å; L211-K214 PolarHBondContact O-N 3.31Å; L211-R294 HydrophobicContact CD1-CB 4.08Å; L211-R294 HydrophobicContact CD1-CG 4.36Å; L211-L297 HydrophobicContact CD2-CB 4.35Å; L211-K298 HydrophobicContact CD2-CB 3.84Å; L211-K298 HydrophobicContact CD2-CG 4.45Å
212	S	89.9	Confident	92	Very high	50 Å²	50	62.7 Å²	62.7	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-57.2	-38.6	177.6	78.4	0	0	0	0	111.8	P208 D209 K214 I215	P208-S212 PolarHBondContact O-N 2.73Å; D209-S212 WeakPolarHBondContact CA-OG 3.42Å; D209-S212 PolarHBondContact O-N 3.42Å; D209-S212 PolarHBondContact O-OG 2.84Å; S212-K214 PolarHBondContact O-N 3.17Å; S212-I215 PolarHBondContact O-N 3.27Å
213	K	89.7	Confident	92.1	Very high	172 Å²	172	61.4 Å²	61.4	75%	0.748	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.2	175.8	-71.2	173.1	-175.7	175.3	0	113.9	D209 L211 I215	D209-K213 WeakPolarHBondContact O-CG 3.27Å; D209-K213 PolarHBondContact O-N 3.32Å; L211-K213 PolarHBondContact O-N 2.87Å; K213-I215 VanDerWaalsContact C-N 3.32Å
214	K	89	Confident	92.2	Very high	125 Å²	125	61.2 Å²	61.2	54%	0.543	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-15.9	175.6	-60.3	-73.1	-174	172.1	0	112.2	L211 S212	L211-K214 VanDerWaalsContact O-CB 3.3Å; L211-K214 WeakPolarHBondContact O-CB 3.45Å; L211-K214 PolarHBondContact O-N 3.31Å; S212-K214 PolarHBondContact O-N 3.17Å
215	I	91.7	Very high	92.3	Very high	24 Å²	24	58.1 Å²	58.1	12%	0.123	31%	0.306	C	S	.	.	S	Bend	trans	-96.8	119.2	179.6	-57.8	-177.9	0	0	0	109.3	L207 S212 K213 I220 A237 L297	L207-I215 HydrophobicContact CD2-CD1 3.47Å; L207-I215 VanDerWaalsContact CD2-CD1 3.47Å; L207-I215 HydrophobicContact CD2-CG1 4.41Å; S212-I215 PolarHBondContact O-N 3.27Å; K213-I215 VanDerWaalsContact C-N 3.32Å; I215-I220 HydrophobicContact CD1-CD1 4.14Å; I215-I220 HydrophobicContact CD1-CG1 4.32Å; I215-I220 HydrophobicContact CG1-CG1 4.46Å; I215-I220 HydrophobicContact CG2-CG1 4.41Å; I215-A237 HydrophobicContact CD1-CB 4.16Å; I215-A237 HydrophobicContact CG2-CB 4.34Å; I215-L297 HydrophobicContact CD1-CD1 3.92Å; I215-L297 HydrophobicContact CG1-CD1 4.08Å; I215-L297 HydrophobicContact CG1-CD2 4.21Å
216	T	90	Very high	92.2	Very high	99 Å²	99	58.6 Å²	58.6	61%	0.607	31%	0.307	S	S	*	.	B	Isolated β-bridge	trans	-95.2	126.1	178.2	-52.7	0	0	0	0	110.8	N218 C219	T216-N218 VanDerWaalsContact C-N 3.26Å; T216-N218 PolarHBondContact O-N 3.39Å; T216-C219 WeakPolarHBondContact O-CB 3.38Å; T216-C219 PolarHBondContact O-N 2.91Å; T216-C219 VanDerWaalsContact O-N 3.07Å
217	N	90.2	Very high	91.7	Very high	136 Å²	136	57.2 Å²	57.2	73%	0.727	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	38.5	178	-62.5	-26.3	0	0	0	114	C219	N217-C219 PolarHBondContact O-N 3.01Å; N217-C219 VanDerWaalsContact O-N 3.16Å; N217-C219 PolarHBondContact O-SG 2.8Å
218	N	93	Very high	91.3	Very high	70 Å²	70	62.5 Å²	62.5	37%	0.374	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	29.3	-176.6	-161.3	37.2	0	0	0	114.3	T216 S236 A237 D238	T216-N218 VanDerWaalsContact C-N 3.26Å; T216-N218 PolarHBondContact O-N 3.39Å; N218-S236 PolarHBondContact ND2-OG 2.98Å; N218-S236 WeakPolarHBondContact O-CA 3.29Å; N218-A237 PolarHBondContact O-N 3.03Å; N218-A237 WeakPolarHBondContact OD1-CB 3.47Å; N218-D238 PolarHBondContact ND2-OD2 3.37Å
219	C	94.9	Very high	91.1	Very high	37 Å²	37	64.4 Å²	64.4	25%	0.25	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.4	-177	-63.9	0	0	0	0	111.8	T216 N217 K234 V235	T216-C219 WeakPolarHBondContact O-CB 3.38Å; T216-C219 PolarHBondContact O-N 2.91Å; T216-C219 VanDerWaalsContact O-N 3.07Å; N217-C219 PolarHBondContact O-N 3.01Å; N217-C219 VanDerWaalsContact O-N 3.16Å; N217-C219 PolarHBondContact O-SG 2.8Å; C219-K234 HydrophobicContact CB-CD 4.19Å; C219-K234 HydrophobicContact CB-CG 3.9Å; C219-K234 WeakPolarHBondContact SG-CE 3.41Å; C219-V235 CarbonylContact C-O 3.56Å; C219-V235 VanDerWaalsContact CA-O 3.24Å; C219-V235 WeakPolarHBondContact CA-O 3.49Å
220	I	95.2	Very high	91.2	Very high	6 Å²	6	62.7 Å²	62.7	3%	0.031	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	138.1	175	-59.8	178.7	0	0	0	108.2	I215 I222 V235 A237 L287 V293 L297 I303	I215-I220 HydrophobicContact CD1-CD1 4.14Å; I215-I220 HydrophobicContact CD1-CG1 4.32Å; I215-I220 HydrophobicContact CG1-CG1 4.46Å; I215-I220 HydrophobicContact CG2-CG1 4.41Å; I220-I222 HydrophobicContact CG2-CG2 3.96Å; I220-V235 HydrophobicContact CB-CG2 4.46Å; I220-V235 PolarHBondContact N-O 3.37Å; I220-V235 WeakPolarHBondContact O-CG2 3.42Å; I220-V235 PolarHBondContact O-N 3.45Å; I220-A237 HydrophobicContact CD1-CB 3.79Å; I220-A237 HydrophobicContact CG1-CB 3.99Å; I220-L287 HydrophobicContact CB-CD2 4.31Å; I220-L287 HydrophobicContact CD1-CD2 4.26Å; I220-L287 HydrophobicContact CG2-CD2 4.3Å; I220-V293 HydrophobicContact CD1-CG1 4.1Å; I220-L297 HydrophobicContact CD1-CD1 4.37Å; I220-I303 HydrophobicContact CG2-CD1 3.5Å; I220-I303 VanDerWaalsContact CG2-CD1 3.5Å
221	L	96	Very high	91.3	Very high	114 Å²	114	63 Å²	63	60%	0.597	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.9	170.1	-67.3	174.3	0	0	0	108.6	K234	L221-K234 HydrophobicContact CD2-CB 3.77Å; L221-K234 HydrophobicContact CD2-CG 4.05Å
222	I	96.9	Very high	91.6	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.8	174.7	64.1	176.2	0	0	0	109.6	I220 I224 T232 I233 V235 I244 L287 I303 L305	I220-I222 HydrophobicContact CG2-CG2 3.96Å; I222-I224 HydrophobicContact CD1-CD1 4.25Å; I222-I224 HydrophobicContact CD1-CG1 4.41Å; I222-T232 WeakPolarHBondContact O-CA 3.36Å; I222-I233 HydrophobicContact CD1-CD1 3.93Å; I222-I233 HydrophobicContact CD1-CG1 3.97Å; I222-I233 HydrophobicContact CG1-CD1 4.03Å; I222-I233 HydrophobicContact CG1-CG1 3.48Å; I222-I233 VanDerWaalsContact CG1-CG1 3.48Å; I222-I233 PolarHBondContact N-O 2.94Å; I222-I233 PolarHBondContact O-N 2.92Å; I222-V235 HydrophobicContact CD1-CG1 4.07Å; I222-V235 HydrophobicContact CD1-CG2 3.96Å; I222-V235 HydrophobicContact CG1-CG1 4.39Å; I222-V235 HydrophobicContact CG1-CG2 4.17Å; I222-V235 HydrophobicContact CG2-CG2 4.36Å; I222-I244 HydrophobicContact CD1-CD1 4.39Å; I222-I244 HydrophobicContact CD1-CG2 3.7Å; I222-L287 HydrophobicContact CG2-CD2 3.99Å; I222-I303 HydrophobicContact CB-CG2 4.45Å; I222-I303 HydrophobicContact CG2-CB 4.02Å; I222-I303 HydrophobicContact CG2-CD1 4.29Å; I222-I303 HydrophobicContact CG2-CG2 3.9Å; I222-L305 HydrophobicContact CD1-CD1 4.26Å
223	V	97.1	Very high	91.8	Very high	13 Å²	13	64.1 Å²	64.1	8%	0.079	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.5	177.2	-174.9	0	0	0	0	108.2	T232 I303 H304 L305	V223-T232 HydrophobicContact CG2-CG2 4.2Å; V223-I303 PolarHBondContact N-O 2.83Å; V223-H304 WeakPolarHBondContact CB-ND1 3.49Å; V223-L305 PolarHBondContact O-N 3.47Å
224	I	96.1	Very high	92.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.5	178.3	-60.9	177.1	0	0	0	109.2	I222 S230 Q231 I233 I244 F248 L272 L305 L307	I222-I224 HydrophobicContact CD1-CD1 4.25Å; I222-I224 HydrophobicContact CD1-CG1 4.41Å; I224-S230 CarbonylContact O-C 3.54Å; I224-S230 VanDerWaalsContact O-CA 3.29Å; I224-S230 WeakPolarHBondContact O-CA 3.23Å; I224-Q231 PolarHBondContact N-O 3.1Å; I224-Q231 PolarHBondContact O-N 3.22Å; I224-I233 HydrophobicContact CD1-CD1 3.62Å; I224-I233 HydrophobicContact CD1-CG1 4.28Å; I224-I233 HydrophobicContact CG1-CD1 4.49Å; I224-I244 HydrophobicContact CD1-CG2 4.29Å; I224-F248 HydrophobicContact CB-CD2 4.38Å; I224-F248 HydrophobicContact CB-CE2 3.9Å; I224-F248 HydrophobicContact CB-CZ 4.29Å; I224-F248 HydrophobicContact CD1-CB 4.38Å; I224-F248 HydrophobicContact CD1-CD2 3.73Å; I224-F248 HydrophobicContact CD1-CE2 4.14Å; I224-F248 HydrophobicContact CD1-CG 4.06Å; I224-F248 HydrophobicContact CG2-CE1 4.38Å; I224-F248 HydrophobicContact CG2-CE2 4.01Å; I224-F248 HydrophobicContact CG2-CZ 3.9Å; I224-L272 HydrophobicContact CD1-CD2 4.01Å; I224-L272 HydrophobicContact CG1-CD2 4.35Å; I224-L272 HydrophobicContact CG2-CD2 4.49Å; I224-L305 CarbonylContact C-O 3.57Å; I224-L305 WeakPolarHBondContact CA-O 3.45Å; I224-L307 HydrophobicContact CG2-CB 4.06Å
225	H	94.5	Very high	92.4	Very high	31 Å²	31	56.5 Å²	56.5	14%	0.144	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.5	-179.7	-63.2	-93.3	0	0	0	111.4	T229 S230 C275 H304 L305 V306 L307	H225-T229 CarbonylContact C-O 3.51Å; H225-T229 WeakPolarHBondContact CA-O 3.37Å; H225-S230 VanDerWaalsContact ND1-CB 3.28Å; H225-S230 WeakPolarHBondContact ND1-CB 3.44Å; H225-C275 VanDerWaalsContact CD2-SG 3.53Å; H225-H304 AromaticContact NE2-CG 3.77Å; H225-H304 AromaticContact NE2-ND1 3.21Å; H225-H304 PolarHBondContact NE2-ND1 3.39Å; H225-L305 PolarHBondContact CD2-O 3.25Å; H225-L305 PolarHBondContact N-O 2.97Å; H225-V306 WeakPolarHBondContact O-CA 3.42Å; H225-L307 PolarHBondContact O-N 2.99Å
226	R	89.6	Confident	92.7	Very high	50 Å²	50	56.9 Å²	56.9	19%	0.189	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	117.9	167.4	-176.2	66.5	-178.1	173.3	1.7	108.9	T228 T229 M259 L307	R226-T228 PolarHBondContact O-N 2.88Å; R226-T229 PolarHBondContact N-O 3.24Å; R226-T229 PolarHBondContact O-N 3.41Å; R226-T229 VanDerWaalsContact O-O 3.14Å; R226-M259 WeakPolarHBondContact CG-O 3.33Å; R226-L307 VanDerWaalsContact CD-O 3.24Å; R226-L307 WeakPolarHBondContact CD-O 3.34Å; R226-L307 PolarHBondContact NH1-O 3.4Å
227	S	81.9	Confident	92.9	Very high	83 Å²	83	52.2 Å²	52.2	58%	0.58	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	-122.2	-170.3	-53.9	0	0	0	0	110.5
228	T	81.9	Confident	93.2	Very high	143 Å²	143	49 Å²	49	88%	0.877	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.7	177	52.4	0	0	0	0	113.7	R226	R226-T228 PolarHBondContact O-N 2.88Å
229	T	87.1	Confident	93.5	Very high	49 Å²	49	48.2 Å²	48.2	30%	0.301	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	138.4	-177.1	-56	0	0	0	0	110.1	H225 R226 M259	H225-T229 CarbonylContact C-O 3.51Å; H225-T229 WeakPolarHBondContact CA-O 3.37Å; R226-T229 PolarHBondContact N-O 3.24Å; R226-T229 PolarHBondContact O-N 3.41Å; R226-T229 VanDerWaalsContact O-O 3.14Å; T229-M259 HydrophobicContact CG2-CE 3.81Å; T229-M259 HydrophobicContact CG2-CG 3.91Å
230	S	91.4	Very high	93.6	Very high	63 Å²	63	48 Å²	48	44%	0.441	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.4	174.9	69.8	0	0	0	0	111.4	I224 H225	I224-S230 CarbonylContact O-C 3.54Å; I224-S230 VanDerWaalsContact O-CA 3.29Å; I224-S230 WeakPolarHBondContact O-CA 3.23Å; H225-S230 VanDerWaalsContact ND1-CB 3.28Å; H225-S230 WeakPolarHBondContact ND1-CB 3.44Å
231	Q	92	Very high	93.7	Very high	55 Å²	55	47.9 Å²	47.9	26%	0.257	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	123.4	176.3	178	65.6	63.7	0	0	110	I224 I233 F248 M252 M259	I224-Q231 PolarHBondContact N-O 3.1Å; I224-Q231 PolarHBondContact O-N 3.22Å; Q231-I233 HydrophobicContact CG-CG2 4.1Å; Q231-F248 HydrophobicContact CB-CE2 4.15Å; Q231-F248 HydrophobicContact CG-CE2 4.39Å; Q231-M252 HydrophobicContact CG-CE 4.49Å; Q231-M252 HydrophobicContact CG-SD 4.11Å; Q231-M259 HydrophobicContact CB-CE 3.85Å
232	T	95.1	Very high	93.7	Very high	70 Å²	70	44.5 Å²	44.5	43%	0.429	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	131.7	170.6	-46.3	0	0	0	0	109.9	I222 V223	I222-T232 WeakPolarHBondContact O-CA 3.36Å; V223-T232 HydrophobicContact CG2-CG2 4.2Å
233	I	94.4	Very high	93.7	Very high	7 Å²	7	46 Å²	46	4%	0.036	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.7	173.7	62.3	169.5	0	0	0	110.3	I222 I224 Q231 V235 I244 F248 K251	I222-I233 HydrophobicContact CD1-CD1 3.93Å; I222-I233 HydrophobicContact CD1-CG1 3.97Å; I222-I233 HydrophobicContact CG1-CD1 4.03Å; I222-I233 HydrophobicContact CG1-CG1 3.48Å; I222-I233 VanDerWaalsContact CG1-CG1 3.48Å; I222-I233 PolarHBondContact N-O 2.94Å; I222-I233 PolarHBondContact O-N 2.92Å; I224-I233 HydrophobicContact CD1-CD1 3.62Å; I224-I233 HydrophobicContact CD1-CG1 4.28Å; I224-I233 HydrophobicContact CG1-CD1 4.49Å; Q231-I233 HydrophobicContact CG-CG2 4.1Å; I233-V235 HydrophobicContact CD1-CG1 3.69Å; I233-V235 HydrophobicContact CG1-CG1 4Å; I233-I244 HydrophobicContact CD1-CG2 4.06Å; I233-F248 HydrophobicContact CD1-CB 4.39Å; I233-F248 HydrophobicContact CD1-CD2 4.22Å; I233-F248 HydrophobicContact CG2-CD2 4.21Å; I233-K251 HydrophobicContact CG2-CD 4.31Å
234	K	95.5	Very high	93.6	Very high	131 Å²	131	45.4 Å²	45.4	57%	0.57	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.3	173.4	-175.5	177.3	175.6	-179	0	107.2	C219 L221	C219-K234 HydrophobicContact CB-CD 4.19Å; C219-K234 HydrophobicContact CB-CG 3.9Å; C219-K234 WeakPolarHBondContact SG-CE 3.41Å; L221-K234 HydrophobicContact CD2-CB 3.77Å; L221-K234 HydrophobicContact CD2-CG 4.05Å
235	V	96.2	Very high	93.6	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.03	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.8	-177.1	-63.6	0	0	0	0	109.9	C219 I220 I222 I233 I244 L287	C219-V235 CarbonylContact C-O 3.56Å; C219-V235 VanDerWaalsContact CA-O 3.24Å; C219-V235 WeakPolarHBondContact CA-O 3.49Å; I220-V235 HydrophobicContact CB-CG2 4.46Å; I220-V235 PolarHBondContact N-O 3.37Å; I220-V235 WeakPolarHBondContact O-CG2 3.42Å; I220-V235 PolarHBondContact O-N 3.45Å; I222-V235 HydrophobicContact CD1-CG1 4.07Å; I222-V235 HydrophobicContact CD1-CG2 3.96Å; I222-V235 HydrophobicContact CG1-CG1 4.39Å; I222-V235 HydrophobicContact CG1-CG2 4.17Å; I222-V235 HydrophobicContact CG2-CG2 4.36Å; I233-V235 HydrophobicContact CD1-CG1 3.69Å; I233-V235 HydrophobicContact CG1-CG1 4Å; V235-I244 HydrophobicContact CB-CG1 4.36Å; V235-I244 HydrophobicContact CG1-CG1 4.17Å; V235-I244 HydrophobicContact CG1-CG2 4.24Å; V235-I244 HydrophobicContact CG2-CD1 4.4Å; V235-L287 HydrophobicContact CG2-CD2 3.65Å
236	S	97.1	Very high	93.6	Very high	33 Å²	33	50.1 Å²	50.1	23%	0.231	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	145	170	-176.6	0	0	0	0	109.6	N218 D238 D239	N218-S236 PolarHBondContact ND2-OG 2.98Å; N218-S236 WeakPolarHBondContact O-CA 3.29Å; S236-D238 PolarHBondContact O-N 3.42Å; S236-D238 PolarHBondContact OG-N 2.93Å; S236-D239 WeakPolarHBondContact CB-OD2 3.16Å; S236-D239 PolarHBondContact N-OD2 2.98Å; S236-D239 PolarHBondContact O-N 2.73Å
237	A	95.6	Very high	93.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.9	172.9	0	0	0	0	0	112.6	I215 N218 I220 L287 K288	I215-A237 HydrophobicContact CD1-CB 4.16Å; I215-A237 HydrophobicContact CG2-CB 4.34Å; N218-A237 PolarHBondContact O-N 3.03Å; N218-A237 WeakPolarHBondContact OD1-CB 3.47Å; I220-A237 HydrophobicContact CD1-CB 3.79Å; I220-A237 HydrophobicContact CG1-CB 3.99Å; A237-L287 PolarHBondContact O-N 2.97Å; A237-K288 HydrophobicContact CB-CB 4.2Å; A237-K288 HydrophobicContact CB-CD 4.19Å; A237-K288 WeakPolarHBondContact O-CB 3.29Å; A237-K288 WeakPolarHBondContact O-CG 3.42Å; A237-K288 PolarHBondContact O-N 3.46Å; A237-K288 VanDerWaalsContact O-N 3.09Å
238	D	96.6	Very high	94.2	Very high	70 Å²	70	47 Å²	47	37%	0.374	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-7.2	179.4	-63.7	-56	0	0	0	113.9	N218 S236 K288	N218-D238 PolarHBondContact ND2-OD2 3.37Å; S236-D238 PolarHBondContact O-N 3.42Å; S236-D238 PolarHBondContact OG-N 2.93Å; D238-K288 WeakPolarHBondContact OD1-CE 3.45Å; D238-K288 IonicContact OD1-NZ 2.63Å; D238-K288 PolarHBondContact OD1-NZ 3.47Å
239	D	97.6	Very high	94.7	Very high	52 Å²	52	40.7 Å²	40.7	28%	0.278	24%	0.239	S	C	.	.			trans	-64.3	138.5	178.7	-72.3	-29.2	0	0	0	110.4	S236 A243 I244 L287	S236-D239 WeakPolarHBondContact CB-OD2 3.16Å; S236-D239 PolarHBondContact N-OD2 2.98Å; S236-D239 PolarHBondContact O-N 2.73Å; D239-A243 HydrophobicContact CB-CB 4.5Å; D239-I244 HydrophobicContact CB-CD1 4.28Å; D239-I244 HydrophobicContact CB-CG1 3.78Å; D239-L287 PolarHBondContact O-N 2.9Å
240	T	97.8	Very high	94.8	Very high	32 Å²	32	43.4 Å²	43.4	20%	0.196	26%	0.255	C	S	.	.			trans	-79.2	155.5	169.6	65.7	0	0	0	0	110.4	G242 A243 I244	T240-G242 PolarHBondContact O-N 2.83Å; T240-G242 VanDerWaalsContact O-N 3.13Å; T240-A243 WeakPolarHBondContact O-CB 3.26Å; T240-A243 PolarHBondContact O-N 2.83Å; T240-A243 PolarHBondContact OG1-N 2.97Å; T240-I244 WeakPolarHBondContact O-CG1 3.42Å; T240-I244 PolarHBondContact O-N 3.38Å
241	P	97.3	Very high	94.5	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-51.6	-36.6	175.3	-29.5	34.4	0	0	0	114.1	I244 L245 L272 L281 T285 F290	P241-I244 PolarHBondContact O-N 3.13Å; P241-L245 WeakPolarHBondContact O-CG 3.43Å; P241-L245 PolarHBondContact O-N 3.25Å; P241-L272 HydrophobicContact CB-CD1 4.41Å; P241-L281 WeakPolarHBondContact CB-O 3.22Å; P241-L281 HydrophobicContact CG-CB 4.23Å; P241-L281 WeakPolarHBondContact CG-O 3.41Å; P241-T285 WeakPolarHBondContact CD-O 3.44Å; P241-F290 HydrophobicContact CG-CE2 3.88Å; P241-F290 HydrophobicContact CG-CZ 3.81Å
242	G	95.8	Very high	94.2	Very high	43 Å²	43	44.4 Å²	44.4	44%	0.443	25%	0.251	S	S	.	.	H	α-helix	trans	-63.4	-45.1	175.3	0	0	0	0	0	112.9	T240 I244 L245 Q246	T240-G242 PolarHBondContact O-N 2.83Å; T240-G242 VanDerWaalsContact O-N 3.13Å; G242-I244 VanDerWaalsContact C-N 3.33Å; G242-I244 PolarHBondContact O-N 3.02Å; G242-L245 PolarHBondContact O-N 2.9Å; G242-Q246 PolarHBondContact O-N 2.77Å
243	A	96.2	Very high	93.5	Very high	33 Å²	33	43.8 Å²	43.8	27%	0.273	25%	0.253	S	S	.	.	H	α-helix	trans	-64.4	-38.8	176	0	0	0	0	0	111.9	D239 T240 Q246 S247	D239-A243 HydrophobicContact CB-CB 4.5Å; T240-A243 WeakPolarHBondContact O-CB 3.26Å; T240-A243 PolarHBondContact O-N 2.83Å; T240-A243 PolarHBondContact OG1-N 2.97Å; A243-Q246 PolarHBondContact O-N 3.29Å; A243-S247 WeakPolarHBondContact O-CB 3.21Å; A243-S247 PolarHBondContact O-N 3.41Å
244	I	96.7	Very high	92.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-48	175.2	-65.8	171.3	0	0	0	110.5	I222 I224 I233 V235 D239 T240 P241 G242 S247 F248 L272 L287	I222-I244 HydrophobicContact CD1-CD1 4.39Å; I222-I244 HydrophobicContact CD1-CG2 3.7Å; I224-I244 HydrophobicContact CD1-CG2 4.29Å; I233-I244 HydrophobicContact CD1-CG2 4.06Å; V235-I244 HydrophobicContact CB-CG1 4.36Å; V235-I244 HydrophobicContact CG1-CG1 4.17Å; V235-I244 HydrophobicContact CG1-CG2 4.24Å; V235-I244 HydrophobicContact CG2-CD1 4.4Å; D239-I244 HydrophobicContact CB-CD1 4.28Å; D239-I244 HydrophobicContact CB-CG1 3.78Å; T240-I244 WeakPolarHBondContact O-CG1 3.42Å; T240-I244 PolarHBondContact O-N 3.38Å; P241-I244 PolarHBondContact O-N 3.13Å; G242-I244 VanDerWaalsContact C-N 3.33Å; G242-I244 PolarHBondContact O-N 3.02Å; I244-S247 PolarHBondContact O-N 2.86Å; I244-F248 VanDerWaalsContact O-CB 3.29Å; I244-F248 WeakPolarHBondContact O-CB 2.97Å; I244-F248 PolarHBondContact O-N 2.99Å; I244-L272 HydrophobicContact CB-CD1 4.29Å; I244-L272 HydrophobicContact CG2-CD1 3.87Å; I244-L287 HydrophobicContact CD1-CB 4.19Å; I244-L287 HydrophobicContact CD1-CD1 4.01Å; I244-L287 HydrophobicContact CD1-CD2 3.93Å; I244-L287 HydrophobicContact CD1-CG 4.27Å
245	L	95.7	Very high	91.8	Very high	14 Å²	14	51.9 Å²	51.9	7%	0.073	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-46.5	177.2	-73.2	172.4	0	0	0	111.4	P241 G242 S247 F248 F249 E267 L272 L307	P241-L245 WeakPolarHBondContact O-CG 3.43Å; P241-L245 PolarHBondContact O-N 3.25Å; G242-L245 PolarHBondContact O-N 2.9Å; L245-S247 VanDerWaalsContact C-N 3.35Å; L245-S247 PolarHBondContact O-N 2.73Å; L245-F248 WeakPolarHBondContact O-CB 3.48Å; L245-F248 PolarHBondContact O-N 2.69Å; L245-F249 VanDerWaalsContact O-CD2 3.31Å; L245-F249 WeakPolarHBondContact O-CD2 3.49Å; L245-F249 PolarHBondContact O-N 3.14Å; L245-E267 HydrophobicContact CB-CB 4.25Å; L245-L272 HydrophobicContact CD2-CD1 4.47Å; L245-L272 HydrophobicContact CD2-CD2 3.76Å; L245-L272 HydrophobicContact CD2-CG 3.86Å; L245-L272 HydrophobicContact CG-CD1 4.37Å; L245-L272 HydrophobicContact CG-CG 4.11Å; L245-L307 HydrophobicContact CD2-CD1 3.31Å
246	Q	94	Very high	91	Very high	116 Å²	116	53.9 Å²	53.9	54%	0.542	30%	0.296	S	S	.	.	H	α-helix	trans	-58.9	-45.6	177.6	-172	-177.9	16.7	0	0	112.1	G242 A243 F249 T250	G242-Q246 PolarHBondContact O-N 2.77Å; A243-Q246 PolarHBondContact O-N 3.29Å; Q246-F249 PolarHBondContact O-N 2.72Å; Q246-T250 WeakPolarHBondContact O-CB 3.49Å; Q246-T250 PolarHBondContact O-N 2.74Å; Q246-T250 PolarHBondContact O-OG1 2.77Å
247	S	92.4	Very high	89.8	Confident	66 Å²	66	56.9 Å²	56.9	46%	0.462	32%	0.317	S	S	.	.	H	α-helix	trans	-62.5	-44.3	176.5	-178.9	0	0	0	0	111.6	A243 I244 L245 T250 K251	A243-S247 WeakPolarHBondContact O-CB 3.21Å; A243-S247 PolarHBondContact O-N 3.41Å; I244-S247 PolarHBondContact O-N 2.86Å; L245-S247 VanDerWaalsContact C-N 3.35Å; L245-S247 PolarHBondContact O-N 2.73Å; S247-T250 PolarHBondContact O-N 3.03Å; S247-K251 WeakPolarHBondContact O-CB 3.31Å; S247-K251 PolarHBondContact O-N 3.08Å
248	F	92.4	Very high	88.8	Confident	1 Å²	1	62.5 Å²	62.5	0%	0.004	35%	0.347	C	S	.	.	H	α-helix	trans	-59.9	-49.1	176.8	179.7	-99.4	0	0	0	111.9	I224 Q231 I233 I244 L245 T250 K251 M252 M259 L307	I224-F248 HydrophobicContact CB-CD2 4.38Å; I224-F248 HydrophobicContact CB-CE2 3.9Å; I224-F248 HydrophobicContact CB-CZ 4.29Å; I224-F248 HydrophobicContact CD1-CB 4.38Å; I224-F248 HydrophobicContact CD1-CD2 3.73Å; I224-F248 HydrophobicContact CD1-CE2 4.14Å; I224-F248 HydrophobicContact CD1-CG 4.06Å; I224-F248 HydrophobicContact CG2-CE1 4.38Å; I224-F248 HydrophobicContact CG2-CE2 4.01Å; I224-F248 HydrophobicContact CG2-CZ 3.9Å; Q231-F248 HydrophobicContact CB-CE2 4.15Å; Q231-F248 HydrophobicContact CG-CE2 4.39Å; I233-F248 HydrophobicContact CD1-CB 4.39Å; I233-F248 HydrophobicContact CD1-CD2 4.22Å; I233-F248 HydrophobicContact CG2-CD2 4.21Å; I244-F248 VanDerWaalsContact O-CB 3.29Å; I244-F248 WeakPolarHBondContact O-CB 2.97Å; I244-F248 PolarHBondContact O-N 2.99Å; L245-F248 WeakPolarHBondContact O-CB 3.48Å; L245-F248 PolarHBondContact O-N 2.69Å; F248-T250 VanDerWaalsContact C-N 3.34Å; F248-T250 PolarHBondContact O-N 3.02Å; F248-K251 PolarHBondContact O-N 3.28Å; F248-M252 HydrophobicContact CD1-CG 4.46Å; F248-M252 HydrophobicContact CD2-CG 4.18Å; F248-M252 HydrophobicContact CE1-CG 4.19Å; F248-M252 HydrophobicContact CE2-CG 3.92Å; F248-M252 HydrophobicContact CG-CG 4.47Å; F248-M252 HydrophobicContact CZ-CG 3.93Å; F248-M252 WeakPolarHBondContact O-CB 3.12Å; F248-M252 VanDerWaalsContact O-CG 3.31Å; F248-M252 WeakPolarHBondContact O-CG 3.3Å; F248-M252 PolarHBondContact O-N 2.84Å; F248-M259 HydrophobicContact CE1-SD 4.13Å; F248-M259 HydrophobicContact CE2-CE 4.41Å; F248-M259 HydrophobicContact CZ-CE 3.82Å; F248-M259 HydrophobicContact CZ-SD 3.65Å; F248-L307 HydrophobicContact CE1-CD2 4.08Å
249	F	91.2	Very high	87.7	Confident	10 Å²	10	59.2 Å²	59.2	4%	0.044	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-36.6	178.9	-89.2	-102.3	0	0	0	112.5	L245 Q246 M252 A253 I261 E267 F270 L307	L245-F249 VanDerWaalsContact O-CD2 3.31Å; L245-F249 WeakPolarHBondContact O-CD2 3.49Å; L245-F249 PolarHBondContact O-N 3.14Å; Q246-F249 PolarHBondContact O-N 2.72Å; F249-M252 CarbonylContact O-C 3.56Å; F249-M252 PolarHBondContact O-N 3.42Å; F249-A253 WeakPolarHBondContact O-CA 3.39Å; F249-A253 PolarHBondContact O-N 3.26Å; F249-I261 HydrophobicContact CE1-CD1 4.37Å; F249-I261 HydrophobicContact CE1-CG2 4.12Å; F249-I261 HydrophobicContact CZ-CD1 4.16Å; F249-I261 HydrophobicContact CZ-CG2 4.49Å; F249-E267 HydrophobicContact CB-CB 4.34Å; F249-E267 HydrophobicContact CD1-CB 4.49Å; F249-E267 HydrophobicContact CD2-CB 3.71Å; F249-E267 HydrophobicContact CE2-CB 4.11Å; F249-E267 HydrophobicContact CG-CB 3.93Å; F249-F270 HydrophobicContact CE1-CD2 4.5Å; F249-F270 HydrophobicContact CE1-CE2 4.4Å; F249-F270 HydrophobicContact CE2-CD2 4.26Å; F249-F270 AromaticContact CZ-CD2 3.58Å; F249-F270 HydrophobicContact CZ-CD2 3.58Å; F249-F270 AromaticContact CZ-CE2 3.79Å; F249-F270 HydrophobicContact CZ-CE2 3.79Å; F249-F270 HydrophobicContact CZ-CG 4.39Å; F249-L307 HydrophobicContact CE2-CD1 4.43Å; F249-L307 HydrophobicContact CE2-CD2 4.07Å; F249-L307 HydrophobicContact CZ-CD2 4.21Å
250	T	89.1	Confident	86.9	Confident	106 Å²	106	62 Å²	62	65%	0.65	34%	0.344	S	S	*	.	H	α-helix	trans	-62.8	-44.6	174.3	-56.7	0	0	0	0	111	Q246 S247 F248	Q246-T250 WeakPolarHBondContact O-CB 3.49Å; Q246-T250 PolarHBondContact O-N 2.74Å; Q246-T250 PolarHBondContact O-OG1 2.77Å; S247-T250 PolarHBondContact O-N 3.03Å; F248-T250 VanDerWaalsContact C-N 3.34Å; F248-T250 PolarHBondContact O-N 3.02Å
251	K	86.4	Confident	86.2	Confident	128 Å²	128	60.8 Å²	60.8	56%	0.557	34%	0.337	S	S	*	.	H	α-helix	trans	-68.8	-33.8	178.4	-167.4	176.6	-177.2	-178	0	112.6	I233 S247 F248	I233-K251 HydrophobicContact CG2-CD 4.31Å; S247-K251 WeakPolarHBondContact O-CB 3.31Å; S247-K251 PolarHBondContact O-N 3.08Å; F248-K251 PolarHBondContact O-N 3.28Å
252	M	84.9	Confident	85.5	Confident	11 Å²	11	63.5 Å²	63.5	5%	0.054	35%	0.354	C	S	.	.	H	α-helix	trans	-97.8	6.6	-176	-61.7	-56.5	-78	0	0	113.9	Q231 F248 F249 K254 K255 K256 M259	Q231-M252 HydrophobicContact CG-CE 4.49Å; Q231-M252 HydrophobicContact CG-SD 4.11Å; F248-M252 HydrophobicContact CD1-CG 4.46Å; F248-M252 HydrophobicContact CD2-CG 4.18Å; F248-M252 HydrophobicContact CE1-CG 4.19Å; F248-M252 HydrophobicContact CE2-CG 3.92Å; F248-M252 HydrophobicContact CG-CG 4.47Å; F248-M252 HydrophobicContact CZ-CG 3.93Å; F248-M252 WeakPolarHBondContact O-CB 3.12Å; F248-M252 VanDerWaalsContact O-CG 3.31Å; F248-M252 WeakPolarHBondContact O-CG 3.3Å; F248-M252 PolarHBondContact O-N 2.84Å; F249-M252 CarbonylContact O-C 3.56Å; F249-M252 PolarHBondContact O-N 3.42Å; M252-K254 VanDerWaalsContact C-N 3.26Å; M252-K254 PolarHBondContact O-N 3.15Å; M252-K254 VanDerWaalsContact O-N 3.13Å; M252-K255 HydrophobicContact CE-CB 3.85Å; M252-K255 HydrophobicContact CE-CD 3.85Å; M252-K255 HydrophobicContact CE-CG 4.5Å; M252-K255 CarbonylContact O-C 3.4Å; M252-K255 WeakPolarHBondContact O-CA 3.36Å; M252-K255 PolarHBondContact O-N 2.87Å; M252-K255 HydrophobicContact SD-CD 4.21Å; M252-K256 PolarHBondContact O-N 3.48Å; M252-K256 VanDerWaalsContact O-N 3.11Å; M252-M259 HydrophobicContact CE-CE 3.19Å; M252-M259 HydrophobicContact CE-CG 4.28Å; M252-M259 HydrophobicContact CE-SD 3.49Å; M252-M259 WeakPolarHBondContact CE-SD 3.48Å; M252-M259 HydrophobicContact CG-SD 4.41Å
253	A	79.8	Confident	84.7	Confident	58 Å²	58	70.3 Å²	70.3	48%	0.479	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-52.7	-40.1	-175.2	0	0	0	0	0	113.7	F249 K255	F249-A253 WeakPolarHBondContact O-CA 3.39Å; F249-A253 PolarHBondContact O-N 3.26Å; A253-K255 VanDerWaalsContact C-N 3.31Å; A253-K255 PolarHBondContact O-N 3.12Å
254	K	77.9	Confident	84.1	Confident	208 Å²	208	74 Å²	74	90%	0.904	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-82.2	-4.8	177.7	-62.1	-175.9	-179.5	-179.3	0	114.3	M252	M252-K254 VanDerWaalsContact C-N 3.26Å; M252-K254 PolarHBondContact O-N 3.15Å; M252-K254 VanDerWaalsContact O-N 3.13Å
255	K	77.2	Confident	83.5	Confident	99 Å²	99	77 Å²	77	43%	0.43	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-121	10.6	-175.3	-63.5	-174.6	178.1	-177.6	0	112.8	M252 A253 S257 L258 M259	M252-K255 HydrophobicContact CE-CB 3.85Å; M252-K255 HydrophobicContact CE-CD 3.85Å; M252-K255 HydrophobicContact CE-CG 4.5Å; M252-K255 CarbonylContact O-C 3.4Å; M252-K255 WeakPolarHBondContact O-CA 3.36Å; M252-K255 PolarHBondContact O-N 2.87Å; M252-K255 HydrophobicContact SD-CD 4.21Å; A253-K255 VanDerWaalsContact C-N 3.31Å; A253-K255 PolarHBondContact O-N 3.12Å; K255-S257 VanDerWaalsContact C-N 3.28Å; K255-S257 PolarHBondContact O-N 3.11Å; K255-L258 HydrophobicContact CB-CD1 4.18Å; K255-L258 HydrophobicContact CG-CD1 4.13Å; K255-L258 WeakPolarHBondContact O-CB 3.46Å; K255-L258 PolarHBondContact O-N 3.03Å; K255-M259 PolarHBondContact O-N 3.23Å
256	K	78.4	Confident	83.1	Confident	47 Å²	47	78.2 Å²	78.2	20%	0.204	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-54.2	-43.4	179.5	-77.6	-168.4	172.2	-166.3	0	112.6	M252 L258 M259 N260 I261 Q265	M252-K256 PolarHBondContact O-N 3.48Å; M252-K256 VanDerWaalsContact O-N 3.11Å; K256-L258 VanDerWaalsContact C-N 3.3Å; K256-L258 PolarHBondContact O-N 3.47Å; K256-M259 PolarHBondContact O-N 2.7Å; K256-M259 VanDerWaalsContact O-N 3.13Å; K256-N260 PolarHBondContact O-N 2.85Å; K256-I261 HydrophobicContact CB-CB 4.43Å; K256-I261 PolarHBondContact O-N 3.37Å; K256-I261 VanDerWaalsContact O-N 3.09Å; K256-Q265 PolarHBondContact NZ-O 2.93Å
257	S	73	Confident	82.7	Confident	96 Å²	96	75.7 Å²	75.7	67%	0.671	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-61.3	-35.1	177.7	55.4	0	0	0	0	113.2	K255 M259 N260	K255-S257 VanDerWaalsContact C-N 3.28Å; K255-S257 PolarHBondContact O-N 3.11Å; S257-M259 VanDerWaalsContact C-N 3.29Å; S257-M259 PolarHBondContact O-N 3.02Å; S257-N260 PolarHBondContact O-N 3.25Å
258	L	74.9	Confident	82.5	Confident	118 Å²	118	82.6 Å²	82.6	62%	0.618	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-70.3	-25.2	177.5	-67.1	168.5	0	0	0	112.8	K255 K256	K255-L258 HydrophobicContact CB-CD1 4.18Å; K255-L258 HydrophobicContact CG-CD1 4.13Å; K255-L258 WeakPolarHBondContact O-CB 3.46Å; K255-L258 PolarHBondContact O-N 3.03Å; K256-L258 VanDerWaalsContact C-N 3.3Å; K256-L258 PolarHBondContact O-N 3.47Å
259	M	73.7	Confident	82.4	Confident	2 Å²	2	85.9 Å²	85.9	1%	0.01	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-96.4	11.3	178.3	-74.6	-173	159.4	0	0	113.2	R226 T229 Q231 F248 M252 K255 K256 S257 I261	R226-M259 WeakPolarHBondContact CG-O 3.33Å; T229-M259 HydrophobicContact CG2-CE 3.81Å; T229-M259 HydrophobicContact CG2-CG 3.91Å; Q231-M259 HydrophobicContact CB-CE 3.85Å; F248-M259 HydrophobicContact CE1-SD 4.13Å; F248-M259 HydrophobicContact CE2-CE 4.41Å; F248-M259 HydrophobicContact CZ-CE 3.82Å; F248-M259 HydrophobicContact CZ-SD 3.65Å; M252-M259 HydrophobicContact CE-CE 3.19Å; M252-M259 HydrophobicContact CE-CG 4.28Å; M252-M259 HydrophobicContact CE-SD 3.49Å; M252-M259 WeakPolarHBondContact CE-SD 3.48Å; M252-M259 HydrophobicContact CG-SD 4.41Å; K255-M259 PolarHBondContact O-N 3.23Å; K256-M259 PolarHBondContact O-N 2.7Å; K256-M259 VanDerWaalsContact O-N 3.13Å; S257-M259 VanDerWaalsContact C-N 3.29Å; S257-M259 PolarHBondContact O-N 3.02Å; M259-I261 HydrophobicContact CB-CD1 4.03Å; M259-I261 HydrophobicContact CB-CG1 4.05Å; M259-I261 PolarHBondContact O-N 3.41Å
260	N	80.4	Confident	82.5	Confident	109 Å²	109	85.9 Å²	85.9	58%	0.583	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	38	-175.2	-63.3	-31.2	0	0	0	113	K256 S257	K256-N260 PolarHBondContact O-N 2.85Å; S257-N260 PolarHBondContact O-N 3.25Å
261	I	83.2	Confident	82.9	Confident	8 Å²	8	81 Å²	81	4%	0.041	41%	0.414	C	S	.	.			trans	-100.1	114.6	174.2	-58	175.2	0	0	0	108.1	F249 K256 M259 Q265 F270 L307	F249-I261 HydrophobicContact CE1-CD1 4.37Å; F249-I261 HydrophobicContact CE1-CG2 4.12Å; F249-I261 HydrophobicContact CZ-CD1 4.16Å; F249-I261 HydrophobicContact CZ-CG2 4.49Å; K256-I261 HydrophobicContact CB-CB 4.43Å; K256-I261 PolarHBondContact O-N 3.37Å; K256-I261 VanDerWaalsContact O-N 3.09Å; M259-I261 HydrophobicContact CB-CD1 4.03Å; M259-I261 HydrophobicContact CB-CG1 4.05Å; M259-I261 PolarHBondContact O-N 3.41Å; I261-Q265 HydrophobicContact CG2-CB 4.48Å; I261-F270 HydrophobicContact CG2-CE2 4.09Å; I261-F270 HydrophobicContact CG2-CZ 4.07Å; I261-L307 HydrophobicContact CD1-CD2 3.88Å
262	P	82.9	Confident	83.5	Confident	61 Å²	61	75 Å²	75	40%	0.396	39%	0.388	S	S	.	.			trans	-56.3	145.6	174.4	-23.6	32.7	0	0	0	112.6	S264 Q265	P262-S264 PolarHBondContact O-N 3.5Å; P262-Q265 HydrophobicContact CB-CG 4.34Å; P262-Q265 VanDerWaalsContact CD-OE1 3.31Å; P262-Q265 HydrophobicContact CG-CG 4.43Å; P262-Q265 PolarHBondContact O-N 2.95Å; P262-Q265 VanDerWaalsContact O-N 3.1Å
263	E	78.7	Confident	84.1	Confident	186 Å²	186	75 Å²	75	87%	0.869	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.6	176.6	-70.1	-169.5	164	0	0	113.2	Q265	E263-Q265 PolarHBondContact O-N 3.47Å
264	S	82.4	Confident	84.9	Confident	111 Å²	111	72.3 Å²	72.3	78%	0.776	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.1	176.9	55.2	0	0	0	0	114.1	P262	P262-S264 PolarHBondContact O-N 3.5Å
265	Q	84.8	Confident	85.8	Confident	62 Å²	62	63.3 Å²	63.3	29%	0.29	33%	0.327	S	S	.	.			trans	-100.1	143.4	-178.5	-67.5	-175.9	-26.2	0	0	112.1	K256 I261 P262 E263 F270	K256-Q265 PolarHBondContact NZ-O 2.93Å; I261-Q265 HydrophobicContact CG2-CB 4.48Å; P262-Q265 HydrophobicContact CB-CG 4.34Å; P262-Q265 VanDerWaalsContact CD-OE1 3.31Å; P262-Q265 HydrophobicContact CG-CG 4.43Å; P262-Q265 PolarHBondContact O-N 2.95Å; P262-Q265 VanDerWaalsContact O-N 3.1Å; E263-Q265 PolarHBondContact O-N 3.47Å; Q265-F270 HydrophobicContact CB-CE2 3.96Å; Q265-F270 HydrophobicContact CB-CZ 4.42Å; Q265-F270 VanDerWaalsContact OE1-CZ 3.24Å
266	S	86.4	Confident	86.7	Confident	39 Å²	39	58.8 Å²	58.8	27%	0.273	31%	0.309	S	S	.	.			trans	-117.1	173.6	-177.5	69.8	0	0	0	0	111.2	R268 D269 F270	S266-R268 PolarHBondContact O-N 3.33Å; S266-R268 VanDerWaalsContact O-N 3.1Å; S266-R268 PolarHBondContact OG-N 3.47Å; S266-D269 PolarHBondContact N-OD2 2.98Å; S266-D269 PolarHBondContact O-N 3.47Å; S266-D269 VanDerWaalsContact O-N 3.15Å; S266-D269 PolarHBondContact OG-OD2 3.44Å; S266-F270 VanDerWaalsContact O-CD2 3.29Å; S266-F270 WeakPolarHBondContact O-CD2 3.49Å
267	E	86.3	Confident	87.5	Confident	63 Å²	63	58 Å²	58	29%	0.294	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-57.1	-22.7	174.2	65.6	-80.2	-175.5	0	0	113.7	L245 F249 D269	L245-E267 HydrophobicContact CB-CB 4.25Å; F249-E267 HydrophobicContact CB-CB 4.34Å; F249-E267 HydrophobicContact CD1-CB 4.49Å; F249-E267 HydrophobicContact CD2-CB 3.71Å; F249-E267 HydrophobicContact CE2-CB 4.11Å; F249-E267 HydrophobicContact CG-CB 3.93Å; E267-D269 VanDerWaalsContact C-N 3.29Å; E267-D269 PolarHBondContact O-N 3.37Å
268	R	87.4	Confident	88.6	Confident	212 Å²	212	54.7 Å²	54.7	80%	0.8	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-76.7	-16.2	-179.1	-60.2	-179.2	179.9	178.1	-1.7	113.7	S266 F270	S266-R268 PolarHBondContact O-N 3.33Å; S266-R268 VanDerWaalsContact O-N 3.1Å; S266-R268 PolarHBondContact OG-N 3.47Å; R268-F270 VanDerWaalsContact C-N 3.31Å
269	D	91.4	Very high	89.7	Confident	70 Å²	70	49.5 Å²	49.5	37%	0.374	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-88.6	-2.1	-177.7	-57.2	-60.4	0	0	0	112.5	S266 E267 P310	S266-D269 PolarHBondContact N-OD2 2.98Å; S266-D269 PolarHBondContact O-N 3.47Å; S266-D269 VanDerWaalsContact O-N 3.15Å; S266-D269 PolarHBondContact OG-OD2 3.44Å; E267-D269 VanDerWaalsContact C-N 3.29Å; E267-D269 PolarHBondContact O-N 3.37Å; D269-P310 VanDerWaalsContact O-CD 3.23Å; D269-P310 WeakPolarHBondContact O-CD 3.34Å
270	F	94.2	Very high	90.8	Very high	10 Å²	10	50.5 Å²	50.5	4%	0.044	26%	0.256	C	S	.	.			trans	-125.3	160.9	-174.1	-65.4	-86.6	0	0	0	112.9	F249 I261 Q265 S266 R268 L307 D308	F249-F270 HydrophobicContact CE1-CD2 4.5Å; F249-F270 HydrophobicContact CE1-CE2 4.4Å; F249-F270 HydrophobicContact CE2-CD2 4.26Å; F249-F270 AromaticContact CZ-CD2 3.58Å; F249-F270 HydrophobicContact CZ-CD2 3.58Å; F249-F270 AromaticContact CZ-CE2 3.79Å; F249-F270 HydrophobicContact CZ-CE2 3.79Å; F249-F270 HydrophobicContact CZ-CG 4.39Å; I261-F270 HydrophobicContact CG2-CE2 4.09Å; I261-F270 HydrophobicContact CG2-CZ 4.07Å; Q265-F270 HydrophobicContact CB-CE2 3.96Å; Q265-F270 HydrophobicContact CB-CZ 4.42Å; Q265-F270 VanDerWaalsContact OE1-CZ 3.24Å; S266-F270 VanDerWaalsContact O-CD2 3.29Å; S266-F270 WeakPolarHBondContact O-CD2 3.49Å; R268-F270 VanDerWaalsContact C-N 3.31Å; F270-L307 HydrophobicContact CB-CD1 3.56Å; F270-L307 HydrophobicContact CB-CG 3.95Å; F270-L307 HydrophobicContact CD1-CD1 4.31Å; F270-L307 HydrophobicContact CD1-CD2 4.11Å; F270-L307 HydrophobicContact CD1-CG 3.71Å; F270-L307 HydrophobicContact CE1-CD2 4.45Å; F270-L307 HydrophobicContact CE1-CG 4.43Å; F270-L307 HydrophobicContact CG-CD1 4.06Å; F270-L307 HydrophobicContact CG-CD2 4.22Å; F270-L307 HydrophobicContact CG-CG 3.92Å; F270-D308 CarbonylContact C-O 3.57Å; F270-D308 VanDerWaalsContact CA-O 3.28Å; F270-D308 WeakPolarHBondContact CA-O 3.25Å
271	V	96.8	Very high	91.6	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.024	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	152.1	173.1	64	0	0	0	0	110.7	M198 Y280 V282 D308 P310	M198-V271 HydrophobicContact SD-CB 4.47Å; M198-V271 HydrophobicContact SD-CG2 3.93Å; V271-Y280 HydrophobicContact CG1-CD1 3.92Å; V271-Y280 HydrophobicContact CG1-CE1 4.07Å; V271-Y280 HydrophobicContact CG2-CD1 3.86Å; V271-V282 HydrophobicContact CB-CG1 4.41Å; V271-V282 HydrophobicContact CG2-CG1 3.14Å; V271-D308 HydrophobicContact CG1-CB 4.37Å; V271-D308 WeakPolarHBondContact CG1-O 3.41Å; V271-D308 PolarHBondContact N-O 2.88Å; V271-D308 PolarHBondContact O-N 3.39Å; V271-P310 HydrophobicContact CB-CG 4.1Å; V271-P310 HydrophobicContact CG1-CB 4.39Å; V271-P310 HydrophobicContact CG1-CG 4.24Å
272	L	98	Very high	92.2	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.8	167.7	-64.3	175.7	0	0	0	109.5	I224 P241 I244 L245 L281 L305 L307	I224-L272 HydrophobicContact CD1-CD2 4.01Å; I224-L272 HydrophobicContact CG1-CD2 4.35Å; I224-L272 HydrophobicContact CG2-CD2 4.49Å; P241-L272 HydrophobicContact CB-CD1 4.41Å; I244-L272 HydrophobicContact CB-CD1 4.29Å; I244-L272 HydrophobicContact CG2-CD1 3.87Å; L245-L272 HydrophobicContact CD2-CD1 4.47Å; L245-L272 HydrophobicContact CD2-CD2 3.76Å; L245-L272 HydrophobicContact CD2-CG 3.86Å; L245-L272 HydrophobicContact CG-CD1 4.37Å; L245-L272 HydrophobicContact CG-CG 4.11Å; L272-L281 HydrophobicContact CB-CB 4.1Å; L272-L281 PolarHBondContact O-N 3.35Å; L272-L305 HydrophobicContact CB-CD1 4.36Å; L272-L305 HydrophobicContact CD1-CD1 4.19Å; L272-L305 HydrophobicContact CD2-CB 4.5Å; L272-L305 HydrophobicContact CD2-CD1 4.47Å; L272-L307 HydrophobicContact CD2-CD1 4.33Å
273	R	97.8	Very high	92.7	Very high	12 Å²	12	44.2 Å²	44.2	5%	0.045	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	147.7	174.6	-172.1	177.8	66.7	81.6	-11.4	109.5	R277 E279 Y280 L305 V306 D308 D819 T821	R273-R277 WeakPolarHBondContact CG-O 3.44Å; R273-R277 PolarHBondContact NH1-O 2.76Å; R273-E279 CarbonylContact C-O 3.52Å; R273-E279 WeakPolarHBondContact CA-O 3.09Å; R273-E279 WeakPolarHBondContact CG-O 3.44Å; R273-Y280 HydrophobicContact CB-CD1 3.99Å; R273-Y280 HydrophobicContact CB-CE1 4.1Å; R273-Y280 HydrophobicContact CG-CD1 3.99Å; R273-Y280 HydrophobicContact CG-CE1 3.87Å; R273-Y280 HydrophobicContact CG-CG 4.4Å; R273-L305 CarbonylContact O-C 3.56Å; R273-L305 VanDerWaalsContact O-CA 3.25Å; R273-L305 WeakPolarHBondContact O-CA 3.17Å; R273-V306 HydrophobicContact CB-CG1 3.86Å; R273-V306 HydrophobicContact CG-CG1 4.49Å; R273-V306 PolarHBondContact N-O 3.39Å; R273-V306 PolarHBondContact O-N 3.47Å; R273-D308 IonicContact CZ-OD2 2.73Å; R273-D308 IonicContact NE-OD2 2.95Å; R273-D308 PolarHBondContact NE-OD2 2.64Å; R273-D308 VanDerWaalsContact NE-OD2 3.17Å; R273-D308 IonicContact NH2-OD2 3.56Å; R273-D819 IonicContact CZ-OD2 3.87Å; R273-D819 IonicContact NH1-OD2 3.28Å; R273-D819 PolarHBondContact NH1-OD2 3.38Å; R273-D819 IonicContact NH2-OD1 3.34Å; R273-D819 PolarHBondContact NH2-OD1 3.04Å; R273-D819 IonicContact NH2-OD2 3.82Å; R273-D819 PolarHBondContact NH2-OD2 2.74Å; R273-T821 PolarHBondContact NH2-OG1 3.26Å
274	V	97.8	Very high	93.5	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	135.7	175.9	176.9	0	0	0	0	110	G276 R277 E279 L281 W292 L305	V274-G276 PolarHBondContact O-N 3.2Å; V274-R277 HydrophobicContact CB-CB 4.15Å; V274-R277 HydrophobicContact CG1-CB 4.08Å; V274-R277 HydrophobicContact CG1-CG 4.21Å; V274-R277 PolarHBondContact O-N 2.79Å; V274-E279 HydrophobicContact CB-CB 4.18Å; V274-E279 HydrophobicContact CG2-CB 4.04Å; V274-E279 HydrophobicContact CG2-CG 4.19Å; V274-E279 PolarHBondContact N-O 2.98Å; V274-L281 HydrophobicContact CG2-CD1 3.66Å; V274-W292 HydrophobicContact CG1-CD2 3.85Å; V274-W292 HydrophobicContact CG1-CG 4.25Å; V274-W292 HydrophobicContact CG1-CH2 4.31Å; V274-W292 HydrophobicContact CG1-CZ2 3.55Å; V274-W292 HydrophobicContact CG2-CB 4.3Å; V274-W292 VanDerWaalsContact CG2-CD1 3.46Å; V274-W292 HydrophobicContact CG2-CD2 4.13Å; V274-W292 HydrophobicContact CG2-CG 3.69Å; V274-L305 HydrophobicContact CG2-CD2 4.15Å
275	C	96.6	Very high	94.2	Very high	18 Å²	18	39.5 Å²	39.5	12%	0.122	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	127.6	177.3	-72.4	0	0	0	0	111.6	H225 R277 H304 L305 L823	H225-C275 VanDerWaalsContact CD2-SG 3.53Å; C275-R277 VanDerWaalsContact C-N 3.27Å; C275-R277 PolarHBondContact O-N 3.02Å; C275-H304 HydrophobicContact CB-CB 4.14Å; C275-H304 PolarHBondContact N-O 3.39Å; C275-L305 VanDerWaalsContact SG-C 3.57Å; C275-L823 HydrophobicContact CB-CD1 4.09Å; C275-L823 HydrophobicContact CB-CG 4.09Å
276	G	95	Very high	94.8	Very high	4 Å²	4	38.1 Å²	38.1	4%	0.041	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	7.2	178.4	0	0	0	0	0	115.4	V274 D819 T821	V274-G276 PolarHBondContact O-N 3.2Å; G276-D819 VanDerWaalsContact CA-OD2 3.24Å; G276-D819 WeakPolarHBondContact CA-OD2 2.89Å; G276-D819 PolarHBondContact N-OD2 2.89Å; G276-T821 PolarHBondContact N-OG1 3.36Å
277	R	96.1	Very high	95.3	Very high	31 Å²	31	36.2 Å²	36.2	12%	0.117	18%	0.178	C	C	.	.	S	Bend	trans	-138	142.5	-177.2	-60.8	175.7	74.8	102.4	8.7	111.7	R273 V274 C275 E279 W292 D788 G790 L791 D819	R273-R277 WeakPolarHBondContact CG-O 3.44Å; R273-R277 PolarHBondContact NH1-O 2.76Å; V274-R277 HydrophobicContact CB-CB 4.15Å; V274-R277 HydrophobicContact CG1-CB 4.08Å; V274-R277 HydrophobicContact CG1-CG 4.21Å; V274-R277 PolarHBondContact O-N 2.79Å; C275-R277 VanDerWaalsContact C-N 3.27Å; C275-R277 PolarHBondContact O-N 3.02Å; R277-E279 HydrophobicContact CB-CB 4.11Å; R277-E279 IonicContact CZ-OE2 3.38Å; R277-E279 IonicContact NE-OE2 3.5Å; R277-E279 PolarHBondContact NE-OE2 3.34Å; R277-E279 IonicContact NH2-OE2 3.43Å; R277-E279 PolarHBondContact O-N 2.93Å; R277-W292 VanDerWaalsContact CD-CH2 3.45Å; R277-W292 VanDerWaalsContact CZ-CZ3 3.45Å; R277-D788 IonicContact CZ-OD2 3.83Å; R277-D788 IonicContact NH1-OD2 3.52Å; R277-D788 IonicContact NH2-OD1 3.65Å; R277-D788 PolarHBondContact NH2-OD1 2.61Å; R277-D788 IonicContact NH2-OD2 2.86Å; R277-D788 PolarHBondContact NH2-OD2 3.43Å; R277-G790 CarbonylContact C-O 3.57Å; R277-G790 VanDerWaalsContact CA-O 3.29Å; R277-G790 WeakPolarHBondContact CA-O 3.32Å; R277-L791 HydrophobicContact CG-CD2 4Å; R277-D819 PolarHBondContact N-OD2 3.28Å
278	D	95.8	Very high	95.8	Very high	26 Å²	26	35.7 Å²	35.7	14%	0.139	17%	0.174	C	C	.	.	S	Bend	trans	-79.2	64.2	169.8	-79.3	-33.8	0	0	0	110.4	R784 G790	D278-R784 VanDerWaalsContact CB-NH1 3.28Å; D278-R784 IonicContact OD2-CZ 3.43Å; D278-R784 IonicContact OD2-NH1 3.31Å; D278-R784 PolarHBondContact OD2-NH1 3.5Å; D278-R784 IonicContact OD2-NH2 2.7Å; D278-R784 PolarHBondContact OD2-NH2 2.94Å; D278-G790 PolarHBondContact N-O 2.95Å
279	E	97	Very high	96.2	Very high	9 Å²	9	26.9 Å²	26.9	4%	0.042	14%	0.143	C	C	.	.			trans	-136.7	120.5	-174.1	-169.8	161.6	-176.6	0	0	109.6	W201 R273 V274 R277	W201-E279 VanDerWaalsContact CE3-OE1 3.25Å; R273-E279 CarbonylContact C-O 3.52Å; R273-E279 WeakPolarHBondContact CA-O 3.09Å; R273-E279 WeakPolarHBondContact CG-O 3.44Å; V274-E279 HydrophobicContact CB-CB 4.18Å; V274-E279 HydrophobicContact CG2-CB 4.04Å; V274-E279 HydrophobicContact CG2-CG 4.19Å; V274-E279 PolarHBondContact N-O 2.98Å; R277-E279 HydrophobicContact CB-CB 4.11Å; R277-E279 IonicContact CZ-OE2 3.38Å; R277-E279 IonicContact NE-OE2 3.5Å; R277-E279 PolarHBondContact NE-OE2 3.34Å; R277-E279 IonicContact NH2-OE2 3.43Å; R277-E279 PolarHBondContact O-N 2.93Å
280	Y	97.8	Very high	96.5	Very high	23 Å²	23	23.7 Å²	23.7	9%	0.09	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.3	-165.7	-61.2	-97.3	0	0	0	111.5	M198 V271 R273 P311	M198-Y280 HydrophobicContact CB-CD1 4.45Å; M198-Y280 HydrophobicContact CB-CD2 4.09Å; M198-Y280 HydrophobicContact CB-CG 3.89Å; M198-Y280 HydrophobicContact CG-CD1 4.07Å; M198-Y280 HydrophobicContact CG-CD2 4.36Å; M198-Y280 HydrophobicContact CG-CE1 4.47Å; M198-Y280 HydrophobicContact CG-CG 4Å; M198-Y280 WeakPolarHBondContact O-CD2 3.42Å; M198-Y280 HydrophobicContact SD-CD1 4.35Å; V271-Y280 HydrophobicContact CG1-CD1 3.92Å; V271-Y280 HydrophobicContact CG1-CE1 4.07Å; V271-Y280 HydrophobicContact CG2-CD1 3.86Å; R273-Y280 HydrophobicContact CB-CD1 3.99Å; R273-Y280 HydrophobicContact CB-CE1 4.1Å; R273-Y280 HydrophobicContact CG-CD1 3.99Å; R273-Y280 HydrophobicContact CG-CE1 3.87Å; R273-Y280 HydrophobicContact CG-CG 4.4Å; Y280-P311 HydrophobicContact CE1-CG 4.27Å
281	L	97.9	Very high	96.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	95.6	174.1	-76.8	64.2	0	0	0	107.8	P241 L272 V274 L287 F290 V293 L305	P241-L281 WeakPolarHBondContact CB-O 3.22Å; P241-L281 HydrophobicContact CG-CB 4.23Å; P241-L281 WeakPolarHBondContact CG-O 3.41Å; L272-L281 HydrophobicContact CB-CB 4.1Å; L272-L281 PolarHBondContact O-N 3.35Å; V274-L281 HydrophobicContact CG2-CD1 3.66Å; L281-L287 HydrophobicContact CD2-CD1 3.65Å; L281-F290 HydrophobicContact CB-CD1 4.37Å; L281-F290 HydrophobicContact CB-CE1 4.15Å; L281-F290 HydrophobicContact CB-CZ 4.27Å; L281-F290 HydrophobicContact CG-CD1 3.91Å; L281-F290 HydrophobicContact CG-CD2 4.45Å; L281-F290 HydrophobicContact CG-CE1 4.2Å; L281-F290 HydrophobicContact CG-CG 4.05Å; L281-V293 HydrophobicContact CD2-CG2 4.2Å; L281-L305 HydrophobicContact CD1-CD2 4.09Å; L281-L305 HydrophobicContact CD2-CD1 3.8Å; L281-L305 HydrophobicContact CD2-CD2 3.78Å; L281-L305 HydrophobicContact CD2-CG 4.47Å
282	V	95.8	Very high	96.6	Very high	16 Å²	16	26.6 Å²	26.6	10%	0.097	14%	0.138	C	C	.	.			trans	-143.5	164.6	-174.5	-68.6	0	0	0	0	113	L195 M198 P200 V271 F290	L195-V282 HydrophobicContact CD2-CG2 4.42Å; M198-V282 HydrophobicContact CB-CG2 3.94Å; M198-V282 HydrophobicContact CE-CB 4.39Å; M198-V282 HydrophobicContact CE-CG1 4.13Å; M198-V282 HydrophobicContact CE-CG2 4.19Å; M198-V282 HydrophobicContact SD-CG1 3.74Å; M198-V282 HydrophobicContact SD-CG2 4.32Å; P200-V282 HydrophobicContact CB-CG2 4Å; P200-V282 HydrophobicContact CG-CG2 4.1Å; V271-V282 HydrophobicContact CB-CG1 4.41Å; V271-V282 HydrophobicContact CG2-CG1 3.14Å; V282-F290 WeakPolarHBondContact O-CZ 3.44Å
283	G	93.7	Very high	96.6	Very high	29 Å²	29	26.6 Å²	26.6	30%	0.299	14%	0.137	S	C	.	.	S	Bend	trans	90.1	-179.7	179.5	0	0	0	0	0	112.9	T285	G283-T285 PolarHBondContact O-N 3.15Å
284	E	95	Very high	96.4	Very high	165 Å²	165	26.4 Å²	26.4	77%	0.771	14%	0.137	S	C	*	.	S	Bend	trans	-84.1	44.2	-179	-59.9	-53.8	133.8	0	0	112
285	T	96.4	Very high	96.3	Very high	32 Å²	32	30.3 Å²	30.3	20%	0.196	16%	0.155	C	C	.	.			trans	-110.4	132.3	-177.1	-56.9	0	0	0	0	109.8	V202 P241 G283 N289 F290	V202-T285 HydrophobicContact CB-CG2 4.09Å; V202-T285 HydrophobicContact CG1-CG2 3.8Å; P241-T285 WeakPolarHBondContact CD-O 3.44Å; G283-T285 PolarHBondContact O-N 3.15Å; T285-N289 HydrophobicContact CG2-CB 3.66Å; T285-F290 HydrophobicContact CG2-CD2 4.5Å; T285-F290 HydrophobicContact CG2-CE2 4.07Å; T285-F290 HydrophobicContact CG2-CZ 4.41Å
286	P	97.3	Very high	96.2	Very high	33 Å²	33	29.6 Å²	29.6	21%	0.214	15%	0.15	C	C	.	.			trans	-56.8	143.9	172.8	-29.1	37.6	0	0	0	113.2	K288 N289 F290	P286-K288 VanDerWaalsContact C-N 3.26Å; P286-K288 HydrophobicContact CB-CG 4.3Å; P286-K288 PolarHBondContact O-N 2.89Å; P286-N289 WeakPolarHBondContact O-CB 3.48Å; P286-N289 PolarHBondContact O-N 2.89Å; P286-F290 WeakPolarHBondContact O-CD2 3.34Å
287	L	97.1	Very high	96.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-53.5	-40.7	-179.6	-174.2	66	0	0	0	113.2	I220 I222 V235 A237 D239 I244 L281 N289 F290 V293	I220-L287 HydrophobicContact CB-CD2 4.31Å; I220-L287 HydrophobicContact CD1-CD2 4.26Å; I220-L287 HydrophobicContact CG2-CD2 4.3Å; I222-L287 HydrophobicContact CG2-CD2 3.99Å; V235-L287 HydrophobicContact CG2-CD2 3.65Å; A237-L287 PolarHBondContact O-N 2.97Å; D239-L287 PolarHBondContact O-N 2.9Å; I244-L287 HydrophobicContact CD1-CB 4.19Å; I244-L287 HydrophobicContact CD1-CD1 4.01Å; I244-L287 HydrophobicContact CD1-CD2 3.93Å; I244-L287 HydrophobicContact CD1-CG 4.27Å; L281-L287 HydrophobicContact CD2-CD1 3.65Å; L287-N289 PolarHBondContact O-N 3.37Å; L287-N289 VanDerWaalsContact O-N 3.11Å; L287-F290 PolarHBondContact O-N 2.82Å; L287-V293 HydrophobicContact CD1-CG2 3.78Å; L287-V293 HydrophobicContact CG-CG1 4.38Å; L287-V293 HydrophobicContact CG-CG2 4.09Å; L287-V293 WeakPolarHBondContact O-CB 3.49Å; L287-V293 WeakPolarHBondContact O-CG1 3.2Å; L287-V293 WeakPolarHBondContact O-CG2 3.43Å
288	K	96	Very high	95.8	Very high	51 Å²	51	31.8 Å²	31.8	22%	0.222	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-64.7	-12.4	179	73.6	-170.4	-173.3	-170.5	0	114.9	A237 D238 P286 R294	A237-K288 HydrophobicContact CB-CB 4.2Å; A237-K288 HydrophobicContact CB-CD 4.19Å; A237-K288 WeakPolarHBondContact O-CB 3.29Å; A237-K288 WeakPolarHBondContact O-CG 3.42Å; A237-K288 PolarHBondContact O-N 3.46Å; A237-K288 VanDerWaalsContact O-N 3.09Å; D238-K288 WeakPolarHBondContact OD1-CE 3.45Å; D238-K288 IonicContact OD1-NZ 2.63Å; D238-K288 PolarHBondContact OD1-NZ 3.47Å; P286-K288 VanDerWaalsContact C-N 3.26Å; P286-K288 HydrophobicContact CB-CG 4.3Å; P286-K288 PolarHBondContact O-N 2.89Å; K288-R294 WeakPolarHBondContact O-CG 3.37Å; K288-R294 PolarHBondContact O-NE 2.9Å
289	N	96.9	Very high	95.4	Very high	27 Å²	27	34.2 Å²	34.2	14%	0.144	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-97.1	-1	-177.8	-72.9	-3.5	0	0	0	113.5	V202 T203 T285 P286 L287 R294	V202-N289 CarbonylContact C-O 3.51Å; V202-N289 VanDerWaalsContact CA-O 3.28Å; V202-N289 WeakPolarHBondContact CA-O 3.33Å; T203-N289 PolarHBondContact N-O 3.18Å; T203-N289 WeakPolarHBondContact O-CB 3.38Å; T285-N289 HydrophobicContact CG2-CB 3.66Å; P286-N289 WeakPolarHBondContact O-CB 3.48Å; P286-N289 PolarHBondContact O-N 2.89Å; L287-N289 PolarHBondContact O-N 3.37Å; L287-N289 VanDerWaalsContact O-N 3.11Å; N289-R294 PolarHBondContact OD1-NH2 3.15Å
290	F	97.8	Very high	95	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.013	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-80.1	133	170.6	-72	-91.6	0	0	0	110.7	P200 V202 P241 L281 V282 T285 P286 L287 W292 V293 R294	P200-F290 HydrophobicContact CB-CE1 4.06Å; V202-F290 HydrophobicContact CG1-CD1 3.54Å; V202-F290 HydrophobicContact CG1-CD2 4.48Å; V202-F290 HydrophobicContact CG1-CE1 3.5Å; V202-F290 VanDerWaalsContact CG1-CE1 3.5Å; V202-F290 HydrophobicContact CG1-CE2 4.47Å; V202-F290 HydrophobicContact CG1-CG 4.05Å; V202-F290 HydrophobicContact CG1-CZ 4Å; P241-F290 HydrophobicContact CG-CE2 3.88Å; P241-F290 HydrophobicContact CG-CZ 3.81Å; L281-F290 HydrophobicContact CB-CD1 4.37Å; L281-F290 HydrophobicContact CB-CE1 4.15Å; L281-F290 HydrophobicContact CB-CZ 4.27Å; L281-F290 HydrophobicContact CG-CD1 3.91Å; L281-F290 HydrophobicContact CG-CD2 4.45Å; L281-F290 HydrophobicContact CG-CE1 4.2Å; L281-F290 HydrophobicContact CG-CG 4.05Å; V282-F290 WeakPolarHBondContact O-CZ 3.44Å; T285-F290 HydrophobicContact CG2-CD2 4.5Å; T285-F290 HydrophobicContact CG2-CE2 4.07Å; T285-F290 HydrophobicContact CG2-CZ 4.41Å; P286-F290 WeakPolarHBondContact O-CD2 3.34Å; L287-F290 PolarHBondContact O-N 2.82Å; F290-W292 VanDerWaalsContact C-N 3.32Å; F290-W292 PolarHBondContact O-N 2.67Å; F290-V293 HydrophobicContact CB-CB 4.23Å; F290-V293 HydrophobicContact CB-CG2 3.95Å; F290-V293 WeakPolarHBondContact O-CB 2.99Å; F290-V293 PolarHBondContact O-N 3.29Å; F290-V293 VanDerWaalsContact O-N 3.09Å; F290-R294 PolarHBondContact O-N 3.37Å
291	Q	96	Very high	94.6	Very high	31 Å²	31	39.9 Å²	39.9	15%	0.145	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-40	-176.8	-72	-68.7	11.9	0	0	112.2	W201 V293 R294 Q295 D654	W201-Q291 HydrophobicContact CD2-CB 3.72Å; W201-Q291 HydrophobicContact CD2-CG 4Å; W201-Q291 HydrophobicContact CE3-CB 4.05Å; W201-Q291 HydrophobicContact CG-CB 4.01Å; W201-Q291 HydrophobicContact CG-CG 4.01Å; W201-Q291 HydrophobicContact CH2-CB 4.48Å; W201-Q291 HydrophobicContact CZ2-CB 4.22Å; W201-Q291 HydrophobicContact CZ2-CG 4.27Å; W201-Q291 HydrophobicContact CZ3-CB 4.4Å; W201-Q291 PolarHBondContact O-N 2.9Å; Q291-V293 VanDerWaalsContact C-N 3.32Å; Q291-V293 PolarHBondContact O-N 3.21Å; Q291-R294 PolarHBondContact O-N 3.45Å; Q291-Q295 WeakPolarHBondContact O-CB 3.4Å; Q291-Q295 PolarHBondContact O-N 2.85Å; Q291-D654 PolarHBondContact NE2-OD1 2.91Å; Q291-D654 PolarHBondContact NE2-OD2 3.11Å; Q291-D654 VanDerWaalsContact NE2-OD2 3.17Å
292	W	96.6	Very high	94.5	Very high	45 Å²	45	46.3 Å²	46.3	17%	0.17	25%	0.25	C	C	.	.	H	α-helix	trans	-56.5	-43.6	173	-176.8	-101.7	0	0	0	112.9	V274 R277 F290 Q295 C296	V274-W292 HydrophobicContact CG1-CD2 3.85Å; V274-W292 HydrophobicContact CG1-CG 4.25Å; V274-W292 HydrophobicContact CG1-CH2 4.31Å; V274-W292 HydrophobicContact CG1-CZ2 3.55Å; V274-W292 HydrophobicContact CG2-CB 4.3Å; V274-W292 VanDerWaalsContact CG2-CD1 3.46Å; V274-W292 HydrophobicContact CG2-CD2 4.13Å; V274-W292 HydrophobicContact CG2-CG 3.69Å; R277-W292 VanDerWaalsContact CD-CH2 3.45Å; R277-W292 VanDerWaalsContact CZ-CZ3 3.45Å; F290-W292 VanDerWaalsContact C-N 3.32Å; F290-W292 PolarHBondContact O-N 2.67Å; W292-Q295 WeakPolarHBondContact O-CB 3.43Å; W292-Q295 PolarHBondContact O-N 3.32Å; W292-C296 PolarHBondContact O-N 3.1Å; W292-C296 PolarHBondContact O-SG 2.91Å; W292-C296 VanDerWaalsContact O-SG 3.4Å
293	V	97.3	Very high	94.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.7	-44.8	178.6	172.4	0	0	0	0	110.6	I220 L281 L287 F290 Q291 Q295 C296 L297 I303	I220-V293 HydrophobicContact CD1-CG1 4.1Å; L281-V293 HydrophobicContact CD2-CG2 4.2Å; L287-V293 HydrophobicContact CD1-CG2 3.78Å; L287-V293 HydrophobicContact CG-CG1 4.38Å; L287-V293 HydrophobicContact CG-CG2 4.09Å; L287-V293 WeakPolarHBondContact O-CB 3.49Å; L287-V293 WeakPolarHBondContact O-CG1 3.2Å; L287-V293 WeakPolarHBondContact O-CG2 3.43Å; F290-V293 HydrophobicContact CB-CB 4.23Å; F290-V293 HydrophobicContact CB-CG2 3.95Å; F290-V293 WeakPolarHBondContact O-CB 2.99Å; F290-V293 PolarHBondContact O-N 3.29Å; F290-V293 VanDerWaalsContact O-N 3.09Å; Q291-V293 VanDerWaalsContact C-N 3.32Å; Q291-V293 PolarHBondContact O-N 3.21Å; V293-Q295 VanDerWaalsContact C-N 3.29Å; V293-Q295 PolarHBondContact O-N 3.49Å; V293-C296 PolarHBondContact O-N 2.94Å; V293-L297 HydrophobicContact CG1-CD1 4.13Å; V293-L297 HydrophobicContact CG1-CG 4.49Å; V293-L297 VanDerWaalsContact O-CG 3.3Å; V293-L297 WeakPolarHBondContact O-CG 3.43Å; V293-L297 PolarHBondContact O-N 3.42Å; V293-I303 HydrophobicContact CG1-CD1 3.93Å; V293-I303 HydrophobicContact CG2-CD1 4.5Å
294	R	95.4	Very high	94.8	Very high	8 Å²	8	46.8 Å²	46.8	3%	0.03	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-39.8	175.8	-67	-173.1	178.5	-154.6	3.4	111.8	K205 P206 L207 L211 K288 N289 F290 Q291 L297 K298	K205-R294 PolarHBondContact O-NH1 3.01Å; K205-R294 PolarHBondContact O-NH2 3.28Å; P206-R294 PolarHBondContact O-NH1 3.4Å; P206-R294 VanDerWaalsContact O-NH1 3.15Å; L207-R294 HydrophobicContact CD1-CG 4.14Å; L211-R294 HydrophobicContact CD1-CB 4.08Å; L211-R294 HydrophobicContact CD1-CG 4.36Å; K288-R294 WeakPolarHBondContact O-CG 3.37Å; K288-R294 PolarHBondContact O-NE 2.9Å; N289-R294 PolarHBondContact OD1-NH2 3.15Å; F290-R294 PolarHBondContact O-N 3.37Å; Q291-R294 PolarHBondContact O-N 3.45Å; R294-L297 PolarHBondContact O-N 3.03Å; R294-K298 WeakPolarHBondContact O-CB 3.1Å; R294-K298 PolarHBondContact O-N 3.08Å
295	Q	93.9	Very high	94.9	Very high	83 Å²	83	39 Å²	39	39%	0.388	21%	0.207	S	C	.	.	H	α-helix	trans	-63.2	-46.8	176.2	-173.7	173	7.5	0	0	111.8	Q291 W292 V293 L297 K298 N299	Q291-Q295 WeakPolarHBondContact O-CB 3.4Å; Q291-Q295 PolarHBondContact O-N 2.85Å; W292-Q295 WeakPolarHBondContact O-CB 3.43Å; W292-Q295 PolarHBondContact O-N 3.32Å; V293-Q295 VanDerWaalsContact C-N 3.29Å; V293-Q295 PolarHBondContact O-N 3.49Å; Q295-L297 VanDerWaalsContact C-N 3.35Å; Q295-L297 PolarHBondContact O-N 3.11Å; Q295-K298 WeakPolarHBondContact O-CB 3.43Å; Q295-K298 PolarHBondContact O-N 3.01Å; Q295-N299 WeakPolarHBondContact O-CB 3.33Å; Q295-N299 VanDerWaalsContact O-CG 3.32Å; Q295-N299 PolarHBondContact O-N 3.16Å
296	C	94.9	Very high	94.9	Very high	3 Å²	3	38 Å²	38	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-44.2	174.8	-68.1	0	0	0	0	111.7	W292 V293 K298 N299 G300 D301 I303	W292-C296 PolarHBondContact O-N 3.1Å; W292-C296 PolarHBondContact O-SG 2.91Å; W292-C296 VanDerWaalsContact O-SG 3.4Å; V293-C296 PolarHBondContact O-N 2.94Å; C296-K298 VanDerWaalsContact C-N 3.33Å; C296-K298 PolarHBondContact O-N 3.4Å; C296-N299 PolarHBondContact O-N 3.4Å; C296-G300 CarbonylContact O-C 3.6Å; C296-G300 WeakPolarHBondContact O-CA 3.37Å; C296-G300 PolarHBondContact O-N 3.39Å; C296-D301 HydrophobicContact CB-CB 4.29Å; C296-D301 PolarHBondContact O-N 3.38Å; C296-I303 HydrophobicContact CB-CD1 4.32Å; C296-I303 HydrophobicContact CB-CG1 3.53Å
297	L	93.6	Very high	94.8	Very high	21 Å²	21	36.4 Å²	36.4	11%	0.11	19%	0.19	C	C	.	.	H	α-helix	trans	-61.7	-40.2	177	-70	172.3	0	0	0	112.4	L211 I215 I220 V293 R294 Q295 G300	L211-L297 HydrophobicContact CD2-CB 4.35Å; I215-L297 HydrophobicContact CD1-CD1 3.92Å; I215-L297 HydrophobicContact CG1-CD1 4.08Å; I215-L297 HydrophobicContact CG1-CD2 4.21Å; I220-L297 HydrophobicContact CD1-CD1 4.37Å; V293-L297 HydrophobicContact CG1-CD1 4.13Å; V293-L297 HydrophobicContact CG1-CG 4.49Å; V293-L297 VanDerWaalsContact O-CG 3.3Å; V293-L297 WeakPolarHBondContact O-CG 3.43Å; V293-L297 PolarHBondContact O-N 3.42Å; R294-L297 PolarHBondContact O-N 3.03Å; Q295-L297 VanDerWaalsContact C-N 3.35Å; Q295-L297 PolarHBondContact O-N 3.11Å; L297-G300 PolarHBondContact O-N 3.2Å
298	K	89.8	Confident	94.6	Very high	61 Å²	61	38.7 Å²	38.7	27%	0.265	20%	0.202	S	C	.	.	H	α-helix	trans	-61.7	-48.8	176.3	-173.9	177.3	176.6	164.1	0	111	L211 R294 Q295 C296 G300 E852 D861	L211-K298 HydrophobicContact CD2-CB 3.84Å; L211-K298 HydrophobicContact CD2-CG 4.45Å; R294-K298 WeakPolarHBondContact O-CB 3.1Å; R294-K298 PolarHBondContact O-N 3.08Å; Q295-K298 WeakPolarHBondContact O-CB 3.43Å; Q295-K298 PolarHBondContact O-N 3.01Å; C296-K298 VanDerWaalsContact C-N 3.33Å; C296-K298 PolarHBondContact O-N 3.4Å; K298-G300 VanDerWaalsContact C-N 3.32Å; K298-G300 PolarHBondContact O-N 3.12Å; K298-E852 IonicContact NZ-OE1 2.61Å; K298-D861 VanDerWaalsContact CE-CG 3.41Å; K298-D861 WeakPolarHBondContact CE-OD1 3.32Å; K298-D861 WeakPolarHBondContact CE-OD2 3.21Å; K298-D861 IonicContact NZ-OD1 3.76Å; K298-D861 PolarHBondContact NZ-OD1 3.26Å; K298-D861 IonicContact NZ-OD2 3.75Å
299	N	87.1	Confident	94.4	Very high	76 Å²	76	40.1 Å²	40.1	41%	0.406	22%	0.216	S	C	.	.	H	α-helix	trans	-74.8	-23.3	-177.8	-66.5	-11.1	0	0	0	113.2	Q295 C296 D301	Q295-N299 WeakPolarHBondContact O-CB 3.33Å; Q295-N299 VanDerWaalsContact O-CG 3.32Å; Q295-N299 PolarHBondContact O-N 3.16Å; C296-N299 PolarHBondContact O-N 3.4Å; N299-D301 HydrophobicContact CB-CB 4.35Å; N299-D301 VanDerWaalsContact CB-CG 3.45Å; N299-D301 WeakPolarHBondContact CB-OD2 3.48Å; N299-D301 PolarHBondContact ND2-OD2 2.93Å
300	G	87.7	Confident	94.3	Very high	61 Å²	61	41.1 Å²	41.1	63%	0.629	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	22.5	-168.2	0	0	0	0	0	113.1	C296 L297 K298	C296-G300 CarbonylContact O-C 3.6Å; C296-G300 WeakPolarHBondContact O-CA 3.37Å; C296-G300 PolarHBondContact O-N 3.39Å; L297-G300 PolarHBondContact O-N 3.2Å; K298-G300 VanDerWaalsContact C-N 3.32Å; K298-G300 PolarHBondContact O-N 3.12Å
301	D	91	Very high	94.2	Very high	91 Å²	91	42.7 Å²	42.7	49%	0.487	23%	0.234	S	C	.	.			trans	-81.5	150.9	179.9	-60.4	-30.9	0	0	0	111.1	C296 N299	C296-D301 HydrophobicContact CB-CB 4.29Å; C296-D301 PolarHBondContact O-N 3.38Å; N299-D301 HydrophobicContact CB-CB 4.35Å; N299-D301 VanDerWaalsContact CB-CG 3.45Å; N299-D301 WeakPolarHBondContact CB-OD2 3.48Å; N299-D301 PolarHBondContact ND2-OD2 2.93Å
302	E	95.1	Very high	94.2	Very high	137 Å²	137	45.8 Å²	45.8	64%	0.64	25%	0.252	S	S	*	.			trans	-69.9	140.9	169.2	-67.4	-168.4	161.3	0	0	111.1	H304	E302-H304 WeakPolarHBondContact CB-NE2 3.09Å; E302-H304 PolarHBondContact O-N 3.26Å; E302-H304 IonicContact OE2-CE1 2.77Å; E302-H304 PolarHBondContact OE2-CE1 2.97Å; E302-H304 IonicContact OE2-NE2 3.34Å; E302-H304 PolarHBondContact OE2-NE2 2.93Å
303	I	97.6	Very high	94.2	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	101.5	177.9	-60.5	162	0	0	0	108.7	I220 I222 V223 V293 C296 L305	I220-I303 HydrophobicContact CG2-CD1 3.5Å; I220-I303 VanDerWaalsContact CG2-CD1 3.5Å; I222-I303 HydrophobicContact CB-CG2 4.45Å; I222-I303 HydrophobicContact CG2-CB 4.02Å; I222-I303 HydrophobicContact CG2-CD1 4.29Å; I222-I303 HydrophobicContact CG2-CG2 3.9Å; V223-I303 PolarHBondContact N-O 2.83Å; V293-I303 HydrophobicContact CG1-CD1 3.93Å; V293-I303 HydrophobicContact CG2-CD1 4.5Å; C296-I303 HydrophobicContact CB-CD1 4.32Å; C296-I303 HydrophobicContact CB-CG1 3.53Å; I303-L305 HydrophobicContact CG2-CD1 4.44Å; I303-L305 HydrophobicContact CG2-CD2 4.13Å; I303-L305 HydrophobicContact CG2-CG 4.12Å
304	H	97.6	Very high	94.1	Very high	50 Å²	50	48.3 Å²	48.3	23%	0.231	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124	175.7	-60.6	-76.9	0	0	0	112	V223 H225 C275 E302 L823	V223-H304 WeakPolarHBondContact CB-ND1 3.49Å; H225-H304 AromaticContact NE2-CG 3.77Å; H225-H304 AromaticContact NE2-ND1 3.21Å; H225-H304 PolarHBondContact NE2-ND1 3.39Å; C275-H304 HydrophobicContact CB-CB 4.14Å; C275-H304 PolarHBondContact N-O 3.39Å; E302-H304 WeakPolarHBondContact CB-NE2 3.09Å; E302-H304 PolarHBondContact O-N 3.26Å; E302-H304 IonicContact OE2-CE1 2.77Å; E302-H304 PolarHBondContact OE2-CE1 2.97Å; E302-H304 IonicContact OE2-NE2 3.34Å; E302-H304 PolarHBondContact OE2-NE2 2.93Å; H304-L823 HydrophobicContact CB-CD1 3.42Å; H304-L823 VanDerWaalsContact CB-CD1 3.42Å
305	L	97.9	Very high	94.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.5	179.3	-54.2	175.5	0	0	0	109.6	I222 V223 I224 H225 L272 R273 V274 C275 L281 I303	I222-L305 HydrophobicContact CD1-CD1 4.26Å; V223-L305 PolarHBondContact O-N 3.47Å; I224-L305 CarbonylContact C-O 3.57Å; I224-L305 WeakPolarHBondContact CA-O 3.45Å; H225-L305 PolarHBondContact CD2-O 3.25Å; H225-L305 PolarHBondContact N-O 2.97Å; L272-L305 HydrophobicContact CB-CD1 4.36Å; L272-L305 HydrophobicContact CD1-CD1 4.19Å; L272-L305 HydrophobicContact CD2-CB 4.5Å; L272-L305 HydrophobicContact CD2-CD1 4.47Å; R273-L305 CarbonylContact O-C 3.56Å; R273-L305 VanDerWaalsContact O-CA 3.25Å; R273-L305 WeakPolarHBondContact O-CA 3.17Å; V274-L305 HydrophobicContact CG2-CD2 4.15Å; C275-L305 VanDerWaalsContact SG-C 3.57Å; L281-L305 HydrophobicContact CD1-CD2 4.09Å; L281-L305 HydrophobicContact CD2-CD1 3.8Å; L281-L305 HydrophobicContact CD2-CD2 3.78Å; L281-L305 HydrophobicContact CD2-CG 4.47Å; I303-L305 HydrophobicContact CG2-CD1 4.44Å; I303-L305 HydrophobicContact CG2-CD2 4.13Å; I303-L305 HydrophobicContact CG2-CG 4.12Å
306	V	96.6	Very high	94.3	Very high	11 Å²	11	49.7 Å²	49.7	7%	0.067	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138	170.2	64	0	0	0	0	109.8	H225 R273 D308 T821	H225-V306 WeakPolarHBondContact O-CA 3.42Å; R273-V306 HydrophobicContact CB-CG1 3.86Å; R273-V306 HydrophobicContact CG-CG1 4.49Å; R273-V306 PolarHBondContact N-O 3.39Å; R273-V306 PolarHBondContact O-N 3.47Å; V306-D308 PolarHBondContact O-N 3.46Å; V306-T821 HydrophobicContact CB-CG2 4.42Å; V306-T821 HydrophobicContact CG1-CG2 4.3Å; V306-T821 HydrophobicContact CG2-CG2 4.05Å
307	L	95.2	Very high	94.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	104.1	171.4	-171.5	71.5	0	0	0	108.6	I224 H225 R226 L245 F248 F249 I261 F270 L272	I224-L307 HydrophobicContact CG2-CB 4.06Å; H225-L307 PolarHBondContact O-N 2.99Å; R226-L307 VanDerWaalsContact CD-O 3.24Å; R226-L307 WeakPolarHBondContact CD-O 3.34Å; R226-L307 PolarHBondContact NH1-O 3.4Å; L245-L307 HydrophobicContact CD2-CD1 3.31Å; F248-L307 HydrophobicContact CE1-CD2 4.08Å; F249-L307 HydrophobicContact CE2-CD1 4.43Å; F249-L307 HydrophobicContact CE2-CD2 4.07Å; F249-L307 HydrophobicContact CZ-CD2 4.21Å; I261-L307 HydrophobicContact CD1-CD2 3.88Å; F270-L307 HydrophobicContact CB-CD1 3.56Å; F270-L307 HydrophobicContact CB-CG 3.95Å; F270-L307 HydrophobicContact CD1-CD1 4.31Å; F270-L307 HydrophobicContact CD1-CD2 4.11Å; F270-L307 HydrophobicContact CD1-CG 3.71Å; F270-L307 HydrophobicContact CE1-CD2 4.45Å; F270-L307 HydrophobicContact CE1-CG 4.43Å; F270-L307 HydrophobicContact CG-CD1 4.06Å; F270-L307 HydrophobicContact CG-CD2 4.22Å; F270-L307 HydrophobicContact CG-CG 3.92Å; L272-L307 HydrophobicContact CD2-CD1 4.33Å
308	D	92.1	Very high	94.4	Very high	48 Å²	48	56.7 Å²	56.7	26%	0.257	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	167.9	-172.9	-147.3	-11.8	0	0	0	111.9	F270 V271 R273 V306	F270-D308 CarbonylContact C-O 3.57Å; F270-D308 VanDerWaalsContact CA-O 3.28Å; F270-D308 WeakPolarHBondContact CA-O 3.25Å; V271-D308 HydrophobicContact CG1-CB 4.37Å; V271-D308 WeakPolarHBondContact CG1-O 3.41Å; V271-D308 PolarHBondContact N-O 2.88Å; V271-D308 PolarHBondContact O-N 3.39Å; R273-D308 IonicContact CZ-OD2 2.73Å; R273-D308 IonicContact NE-OD2 2.95Å; R273-D308 PolarHBondContact NE-OD2 2.64Å; R273-D308 VanDerWaalsContact NE-OD2 3.17Å; R273-D308 IonicContact NH2-OD2 3.56Å; V306-D308 PolarHBondContact O-N 3.46Å
309	T	93.3	Very high	94.5	Very high	81 Å²	81	57.7 Å²	57.7	50%	0.497	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-78.8	136.2	170.3	-53.5	0	0	0	0	108.9
310	P	94.9	Very high	94.4	Very high	48 Å²	48	62.8 Å²	62.8	31%	0.312	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-55.8	139.5	174.5	-21.6	30	0	0	0	111.4	M198 D269 V271	M198-P310 HydrophobicContact SD-CB 4.23Å; D269-P310 VanDerWaalsContact O-CD 3.23Å; D269-P310 WeakPolarHBondContact O-CD 3.34Å; V271-P310 HydrophobicContact CB-CG 4.1Å; V271-P310 HydrophobicContact CG1-CB 4.39Å; V271-P310 HydrophobicContact CG1-CG 4.24Å
311	P	95.4	Very high	94.5	Very high	36 Å²	36	61.6 Å²	61.6	23%	0.234	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-61.2	140	175.3	26.4	-34.1	0	0	0	110.2	A197 M198 Y280 P313	A197-P311 HydrophobicContact CB-CG 4.15Å; M198-P311 HydrophobicContact CG-CG 3.53Å; Y280-P311 HydrophobicContact CE1-CG 4.27Å; P311-P313 VanDerWaalsContact O-CD 3.22Å; P311-P313 WeakPolarHBondContact O-CD 3.35Å
312	D	96.3	Very high	94	Very high	96 Å²	96	62.1 Å²	62.1	51%	0.513	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-68.6	116.3	178.3	-177.4	2.4	0	0	0	110.3	A314 L315	D312-A314 PolarHBondContact O-N 3.4Å; D312-A314 VanDerWaalsContact O-N 3.11Å; D312-A314 VanDerWaalsContact OD1-CB 3.31Å; D312-A314 WeakPolarHBondContact OD1-CB 3.44Å; D312-A314 PolarHBondContact OD1-N 2.82Å; D312-L315 HydrophobicContact CB-CD1 4.49Å; D312-L315 HydrophobicContact CB-CG 4.34Å; D312-L315 WeakPolarHBondContact O-CB 3.41Å; D312-L315 WeakPolarHBondContact O-CG 3.35Å; D312-L315 PolarHBondContact O-N 2.64Å; D312-L315 VanDerWaalsContact O-N 3.09Å
313	P	95.1	Very high	93.6	Very high	39 Å²	39	58.6 Å²	58.6	25%	0.253	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-61.6	-17.9	177.6	-21.7	34.5	0	0	0	113.9	A193 K194 P311 L315 D316	A193-P313 HydrophobicContact CB-CB 3.82Å; K194-P313 HydrophobicContact CG-CG 4.05Å; P311-P313 VanDerWaalsContact O-CD 3.22Å; P311-P313 WeakPolarHBondContact O-CD 3.35Å; P313-L315 PolarHBondContact O-N 2.8Å; P313-D316 PolarHBondContact O-N 2.69Å
314	A	96.2	Very high	93.1	Very high	60 Å²	60	59.7 Å²	59.7	50%	0.496	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-63.2	-22	174.7	0	0	0	0	0	112.8	D312 D316 E317	D312-A314 PolarHBondContact O-N 3.4Å; D312-A314 VanDerWaalsContact O-N 3.11Å; D312-A314 VanDerWaalsContact OD1-CB 3.31Å; D312-A314 WeakPolarHBondContact OD1-CB 3.44Å; D312-A314 PolarHBondContact OD1-N 2.82Å; A314-D316 PolarHBondContact O-N 3.36Å; A314-E317 VanDerWaalsContact O-CB 3.31Å; A314-E317 WeakPolarHBondContact O-CB 3.44Å; A314-E317 PolarHBondContact O-N 3.04Å; A314-E317 VanDerWaalsContact O-N 3.14Å
315	L	96.1	Very high	92.9	Very high	108 Å²	108	58.1 Å²	58.1	57%	0.565	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-66	-20.8	172.8	-61	175.5	0	0	0	112.6	D312 P313 E317 A727	D312-L315 HydrophobicContact CB-CD1 4.49Å; D312-L315 HydrophobicContact CB-CG 4.34Å; D312-L315 WeakPolarHBondContact O-CB 3.41Å; D312-L315 WeakPolarHBondContact O-CG 3.35Å; D312-L315 PolarHBondContact O-N 2.64Å; D312-L315 VanDerWaalsContact O-N 3.09Å; P313-L315 PolarHBondContact O-N 2.8Å; L315-E317 VanDerWaalsContact C-N 3.32Å; L315-A727 HydrophobicContact CB-CB 4.26Å; L315-A727 WeakPolarHBondContact O-CB 3.44Å; L315-A727 PolarHBondContact O-N 2.8Å
316	D	96.6	Very high	92.6	Very high	11 Å²	11	58.3 Å²	58.3	6%	0.059	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-94.2	18.5	175.4	-69.7	-56.5	0	0	0	112.9	R191 Y196 A197 P313 A314 V318 K689 G725	R191-D316 PolarHBondContact NH2-O 3.08Å; Y196-D316 HydrophobicContact CD1-CB 4.05Å; Y196-D316 HydrophobicContact CE1-CB 4.07Å; A197-D316 WeakPolarHBondContact CA-OD2 3.44Å; P313-D316 PolarHBondContact O-N 2.69Å; A314-D316 PolarHBondContact O-N 3.36Å; D316-V318 PolarHBondContact O-N 3.33Å; D316-K689 VanDerWaalsContact OD1-CE 3.22Å; D316-K689 WeakPolarHBondContact OD1-CE 3.2Å; D316-K689 IonicContact OD1-NZ 3.43Å; D316-K689 PolarHBondContact OD1-NZ 3.35Å; D316-K689 WeakPolarHBondContact OD2-CE 3.46Å; D316-K689 IonicContact OD2-NZ 3.03Å; D316-K689 PolarHBondContact OD2-NZ 3.05Å; D316-G725 WeakPolarHBondContact O-CA 3.39Å
317	E	95.8	Very high	92.3	Very high	142 Å²	142	58.1 Å²	58.1	66%	0.664	30%	0.302	S	S	*	.			trans	-52.9	139.5	174.2	-174.2	174.4	-158.8	0	0	110.6	A314 L315 G725 M726	A314-E317 VanDerWaalsContact O-CB 3.31Å; A314-E317 WeakPolarHBondContact O-CB 3.44Å; A314-E317 PolarHBondContact O-N 3.04Å; A314-E317 VanDerWaalsContact O-N 3.14Å; L315-E317 VanDerWaalsContact C-N 3.32Å; E317-G725 WeakPolarHBondContact O-CA 3.46Å; E317-M726 WeakPolarHBondContact O-CG 3.33Å; E317-M726 PolarHBondContact O-N 3.26Å
318	V	95.3	Very high	91.7	Very high	29 Å²	29	63.1 Å²	63.1	18%	0.176	33%	0.329	C	S	.	.			trans	-107.4	130.5	178.4	177.3	0	0	0	0	108	V188 D316 K320 R722	V188-V318 HydrophobicContact CG1-CB 4.11Å; V188-V318 HydrophobicContact CG1-CG1 4.38Å; V188-V318 HydrophobicContact CG1-CG2 3.77Å; V188-V318 HydrophobicContact CG2-CG2 4.36Å; D316-V318 PolarHBondContact O-N 3.33Å; V318-K320 PolarHBondContact O-N 2.98Å; V318-R722 VanDerWaalsContact CG1-O 3.25Å; V318-R722 WeakPolarHBondContact CG1-O 3.45Å
319	R	91.6	Very high	91.5	Very high	82 Å²	82	61.5 Å²	61.5	31%	0.309	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-55.4	140.3	177	-173.6	174.3	176.3	142.8	9.1	110.2	E146 E321	E146-R319 PolarHBondContact O-NH1 3.25Å; E146-R319 IonicContact OE2-NH2 3.63Å; E146-R319 PolarHBondContact OE2-NH2 3.26Å; R319-E321 PolarHBondContact O-N 3.33Å
320	K	86.3	Confident	91.2	Very high	183 Å²	183	57.8 Å²	57.8	80%	0.796	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-54.8	130.3	177.2	-173.9	179.3	178.4	-176.1	0	110.5	V318	V318-K320 PolarHBondContact O-N 2.98Å
321	E	87.9	Confident	90.7	Very high	37 Å²	37	55.6 Å²	55.6	17%	0.173	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-75.4	129.8	173.8	-176.1	52	-96.3	0	0	110.2	V181 R184 M185 R319 W323	V181-E321 HydrophobicContact CG1-CG 3.86Å; R184-E321 IonicContact CZ-OE2 2.77Å; R184-E321 IonicContact NH1-OE2 3.36Å; R184-E321 PolarHBondContact NH1-OE2 2.57Å; R184-E321 IonicContact NH2-OE2 3.56Å; R184-E321 PolarHBondContact NH2-OE2 3.34Å; M185-E321 HydrophobicContact SD-CB 3.57Å; M185-E321 VanDerWaalsContact SD-CB 3.57Å; M185-E321 HydrophobicContact SD-CG 4.17Å; R319-E321 PolarHBondContact O-N 3.33Å; E321-W323 HydrophobicContact CG-CB 4.35Å; E321-W323 WeakPolarHBondContact OE1-CB 3.23Å; E321-W323 PolarHBondContact OE1-N 3.05Å
322	E	82.1	Confident	90.1	Very high	101 Å²	101	54.1 Å²	54.1	47%	0.472	28%	0.275	S	S	.	.			trans	-97.4	-23.4	-178.7	-65	-179.8	173.8	0	0	111.2	T147	T147-E322 WeakPolarHBondContact CG2-OE2 3.29Å; T147-E322 PolarHBondContact OG1-OE1 3.14Å; T147-E322 PolarHBondContact OG1-OE2 2.91Å
323	W	85.2	Confident	89.4	Confident	63 Å²	63	49.7 Å²	49.7	24%	0.239	25%	0.251	C	S	.	.	S	Bend	trans	-75.1	128.1	175.5	-69.6	-8.4	0	0	0	111.5	R177 V181 E321	R177-W323 HydrophobicContact CB-CH2 4.34Å; R177-W323 HydrophobicContact CB-CZ3 4.27Å; V181-W323 HydrophobicContact CG2-CE3 3.56Å; V181-W323 HydrophobicContact CG2-CZ3 4.14Å; E321-W323 HydrophobicContact CG-CB 4.35Å; E321-W323 WeakPolarHBondContact OE1-CB 3.23Å; E321-W323 PolarHBondContact OE1-N 3.05Å
324	P	88.8	Confident	88.8	Confident	28 Å²	28	48 Å²	48	18%	0.182	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-56.9	148	165.2	-22.3	32.9	0	0	0	111	L97 L99 E108 R178	L97-P324 HydrophobicContact CD1-CG 4.26Å; L99-P324 HydrophobicContact CD1-CG 4.47Å; L99-P324 HydrophobicContact CD2-CB 3.97Å; L99-P324 HydrophobicContact CD2-CG 3.94Å; E108-P324 HydrophobicContact CB-CB 3.82Å; E108-P324 HydrophobicContact CB-CG 4.45Å; R178-P324 PolarHBondContact NH2-O 2.85Å
325	L	92.4	Very high	88.3	Confident	18 Å²	18	48.2 Å²	48.2	9%	0.094	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-67.8	155.1	179.2	-60.6	-177.9	0	0	0	110.9	Q105 W106 Y107 E108 V181 M185	Q105-L325 HydrophobicContact CB-CD1 4.25Å; Q105-L325 VanDerWaalsContact OE1-CD1 3.3Å; W106-L325 PolarHBondContact O-N 2.91Å; W106-L325 VanDerWaalsContact O-N 3.15Å; Y107-L325 CarbonylContact C-O 3.6Å; Y107-L325 WeakPolarHBondContact CA-O 3.34Å; Y107-L325 HydrophobicContact CD1-CB 3.61Å; Y107-L325 HydrophobicContact CE1-CB 3.65Å; Y107-L325 HydrophobicContact CE1-CD1 4.11Å; Y107-L325 HydrophobicContact CG-CB 4.21Å; E108-L325 PolarHBondContact N-O 3.18Å; V181-L325 HydrophobicContact CG1-CD2 3.81Å; M185-L325 HydrophobicContact CG-CD2 4.27Å
326	V	91.9	Very high	87.9	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.018	21%	0.213	C	C	.	.			trans	-120.4	133.7	174.2	177	0	0	0	0	107.5	Y110 R178 T182 T330	Y110-V326 HydrophobicContact CG-CG2 4.24Å; R178-V326 HydrophobicContact CB-CG2 4.26Å; T182-V326 PolarHBondContact OG1-O 2.99Å; V326-T330 HydrophobicContact CG1-CG2 3.57Å; V326-T330 WeakPolarHBondContact CG1-OG1 3.31Å
327	D	89.2	Confident	87.3	Confident	8 Å²	8	50.1 Å²	50.1	4%	0.043	24%	0.235	C	C	.	.			trans	-84.4	164.3	-174.9	68.4	64.2	0	0	0	113	Y100 Y107 D120 C329 T330	Y100-D327 PolarHBondContact OH-OD2 3Å; Y107-D327 HydrophobicContact CD1-CB 4.06Å; Y107-D327 HydrophobicContact CE1-CB 4.36Å; D120-D327 HydrophobicContact CB-CB 4.07Å; D120-D327 VanDerWaalsContact CB-CG 3.45Å; D120-D327 WeakPolarHBondContact CB-OD2 3.37Å; D327-C329 PolarHBondContact O-N 2.77Å; D327-C329 VanDerWaalsContact OD1-CA 3.26Å; D327-C329 WeakPolarHBondContact OD1-CA 3.25Å; D327-C329 VanDerWaalsContact OD1-CB 3.24Å; D327-C329 WeakPolarHBondContact OD1-CB 3.29Å; D327-C329 PolarHBondContact OD1-N 3.36Å; D327-T330 VanDerWaalsContact O-CB 3.26Å; D327-T330 WeakPolarHBondContact O-CB 3.42Å; D327-T330 PolarHBondContact O-N 2.98Å; D327-T330 VanDerWaalsContact O-N 3.13Å; D327-T330 PolarHBondContact O-OG1 3.21Å; D327-T330 PolarHBondContact OD1-N 3.14Å
328	D	84.1	Confident	86.5	Confident	104 Å²	104	46.6 Å²	46.6	56%	0.556	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.6	-178.4	-70.7	-46.4	0	0	0	114.1	T330 R679	D328-T330 VanDerWaalsContact C-N 3.31Å; D328-R679 IonicContact OD1-NH1 3.44Å; D328-R679 PolarHBondContact OD1-NH1 3.3Å
329	C	86.3	Confident	86	Confident	14 Å²	14	45.6 Å²	45.6	10%	0.095	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.9	173.7	-62.5	0	0	0	0	112.5	Q114 D120 D327 G331 V332	Q114-C329 PolarHBondContact NE2-O 3.43Å; D120-C329 HydrophobicContact CB-CB 4.11Å; D327-C329 PolarHBondContact O-N 2.77Å; D327-C329 VanDerWaalsContact OD1-CA 3.26Å; D327-C329 WeakPolarHBondContact OD1-CA 3.25Å; D327-C329 VanDerWaalsContact OD1-CB 3.24Å; D327-C329 WeakPolarHBondContact OD1-CB 3.29Å; D327-C329 PolarHBondContact OD1-N 3.36Å; C329-G331 PolarHBondContact O-N 3.07Å; C329-V332 WeakPolarHBondContact O-CB 3.13Å; C329-V332 WeakPolarHBondContact O-CG2 3.45Å; C329-V332 PolarHBondContact O-N 3.3Å
330	T	87.5	Confident	85.7	Confident	4 Å²	4	42.7 Å²	42.7	3%	0.025	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	133	176.5	-54.3	0	0	0	0	111.1	Y110 D111 F175 V326 D327 D328 V332	Y110-T330 HydrophobicContact CD1-CG2 4.25Å; D111-T330 HydrophobicContact CB-CG2 3.68Å; F175-T330 HydrophobicContact CE2-CG2 3.9Å; F175-T330 HydrophobicContact CZ-CG2 4.44Å; V326-T330 HydrophobicContact CG1-CG2 3.57Å; V326-T330 WeakPolarHBondContact CG1-OG1 3.31Å; D327-T330 VanDerWaalsContact O-CB 3.26Å; D327-T330 WeakPolarHBondContact O-CB 3.42Å; D327-T330 PolarHBondContact O-N 2.98Å; D327-T330 VanDerWaalsContact O-N 3.13Å; D327-T330 PolarHBondContact O-OG1 3.21Å; D327-T330 PolarHBondContact OD1-N 3.14Å; D328-T330 VanDerWaalsContact C-N 3.31Å; T330-V332 VanDerWaalsContact C-N 3.33Å
331	G	83.8	Confident	85.5	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.01	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	1.1	-173.7	0	0	0	0	0	115	D111 C329 R472 F473	D111-G331 VanDerWaalsContact OD2-CA 3.24Å; D111-G331 WeakPolarHBondContact OD2-CA 3.46Å; D111-G331 PolarHBondContact OD2-N 3.46Å; C329-G331 PolarHBondContact O-N 3.07Å; G331-R472 CarbonylContact O-C 3.55Å; G331-F473 WeakPolarHBondContact O-CD2 3.31Å
332	V	84.5	Confident	85.3	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.03	20%	0.198	C	C	.	.			trans	-85.9	128.2	-178.5	177.1	0	0	0	0	111.8	T118 C329 T330 K531	T118-V332 WeakPolarHBondContact CB-O 3.36Å; T118-V332 HydrophobicContact CG2-CG1 4.21Å; T118-V332 PolarHBondContact OG1-O 3.45Å; C329-V332 WeakPolarHBondContact O-CB 3.13Å; C329-V332 WeakPolarHBondContact O-CG2 3.45Å; C329-V332 PolarHBondContact O-N 3.3Å; T330-V332 VanDerWaalsContact C-N 3.33Å; V332-K531 HydrophobicContact CG1-CD 3.73Å; V332-K531 VanDerWaalsContact CG1-CE 3.46Å; V332-K531 HydrophobicContact CG1-CG 4.36Å
333	T	80.1	Confident	85.2	Confident	4 Å²	4	40.3 Å²	40.3	3%	0.025	22%	0.22	C	C	.	.			trans	-93	-34.9	-176.6	51.5	0	0	0	0	114.1	V115 R472 F473 L474 A528 L529	V115-T333 WeakPolarHBondContact CB-O 3.28Å; V115-T333 WeakPolarHBondContact CG2-O 3.48Å; T333-R472 VanDerWaalsContact CG2-O 3.23Å; T333-R472 WeakPolarHBondContact CG2-O 3.27Å; T333-F473 HydrophobicContact CG2-CB 4.31Å; T333-L474 HydrophobicContact CG2-CD2 3.97Å; T333-A528 HydrophobicContact CG2-CB 3.68Å; T333-L529 PolarHBondContact OG1-O 3.16Å
334	G	83.8	Confident	84.7	Confident	3 Å²	3	40.8 Å²	40.8	3%	0.031	22%	0.224	C	C	.	.			trans	129.5	-169.6	174.4	0	0	0	0	0	113.9	K531	G334-K531 PolarHBondContact O-N 3.34Å
335	Y	85.4	Confident	84.1	Confident	65 Å²	65	44.3 Å²	44.3	26%	0.255	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-93.7	163.6	178.1	-60	-75.3	0	0	0	112.3	E337 Q338 L339 K531 Q533	Y335-E337 VanDerWaalsContact C-N 3.34Å; Y335-E337 WeakPolarHBondContact CB-OE2 3.06Å; Y335-E337 PolarHBondContact O-N 3.05Å; Y335-Q338 WeakPolarHBondContact O-CB 3.5Å; Y335-Q338 PolarHBondContact O-N 3.48Å; Y335-Q338 VanDerWaalsContact O-N 3.13Å; Y335-L339 WeakPolarHBondContact O-CG 3.49Å; Y335-L339 PolarHBondContact O-N 3.37Å; Y335-L339 VanDerWaalsContact O-N 3.15Å; Y335-K531 HydrophobicContact CD1-CB 3.88Å; Y335-K531 WeakPolarHBondContact CD1-O 3.05Å; Y335-K531 HydrophobicContact CE1-CB 3.91Å; Y335-Q533 HydrophobicContact CD1-CB 4.47Å; Y335-Q533 HydrophobicContact CD1-CG 3.24Å; Y335-Q533 HydrophobicContact CE1-CB 4.49Å; Y335-Q533 HydrophobicContact CE1-CG 3.34Å; Y335-Q533 HydrophobicContact CG-CG 3.9Å
336	H	87.6	Confident	83.2	Confident	46 Å²	46	50.1 Å²	50.1	21%	0.213	27%	0.267	C	S	.	.	H	α-helix	trans	-60.5	-42.3	-176.5	176.4	67.6	0	0	0	112.5	Q338 L339 T340 S353 W355 D356 P530	H336-Q338 PolarHBondContact O-N 2.97Å; H336-L339 PolarHBondContact O-N 2.85Å; H336-L339 VanDerWaalsContact O-N 3.1Å; H336-T340 WeakPolarHBondContact O-CB 3.47Å; H336-T340 PolarHBondContact O-N 3.48Å; H336-S353 PolarHBondContact CE1-OG 2.93Å; H336-S353 PolarHBondContact ND1-OG 2.63Å; H336-W355 HydrophobicContact CB-CE3 3.67Å; H336-W355 HydrophobicContact CB-CZ3 3.83Å; H336-W355 AromaticContact CG-CE3 3.71Å; H336-W355 AromaticContact ND1-CE3 3.79Å; H336-D356 IonicContact CE1-OD1 3.13Å; H336-D356 PolarHBondContact CE1-OD1 3.02Å; H336-D356 IonicContact NE2-OD1 3.5Å; H336-P530 HydrophobicContact CB-CB 3.98Å; H336-P530 HydrophobicContact CB-CG 4.16Å
337	E	82.9	Confident	82.3	Confident	112 Å²	112	58.3 Å²	58.3	52%	0.523	31%	0.305	S	S	.	.	H	α-helix	trans	-61.2	-30.5	-179.8	-55.5	75.8	-163.1	0	0	111.5	Y335 K344	Y335-E337 VanDerWaalsContact C-N 3.34Å; Y335-E337 WeakPolarHBondContact CB-OE2 3.06Å; Y335-E337 PolarHBondContact O-N 3.05Å; E337-K344 PolarHBondContact O-NZ 3.37Å
338	Q	79.9	Confident	81.3	Confident	69 Å²	69	58.9 Å²	58.9	32%	0.322	31%	0.31	S	S	.	.	H	α-helix	trans	-79.2	-34.8	178.6	-62.8	176.9	-43.8	0	0	112.4	Y335 H336 K344	Y335-Q338 WeakPolarHBondContact O-CB 3.5Å; Y335-Q338 PolarHBondContact O-N 3.48Å; Y335-Q338 VanDerWaalsContact O-N 3.13Å; H336-Q338 PolarHBondContact O-N 2.97Å; Q338-K344 PolarHBondContact O-NZ 3.48Å
339	L	83.9	Confident	80.8	Confident	8 Å²	8	54.5 Å²	54.5	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-99.2	-11.9	-173.1	-61.9	174	0	0	0	114	Y335 H336 T351 S353 A528	Y335-L339 WeakPolarHBondContact O-CG 3.49Å; Y335-L339 PolarHBondContact O-N 3.37Å; Y335-L339 VanDerWaalsContact O-N 3.15Å; H336-L339 PolarHBondContact O-N 2.85Å; H336-L339 VanDerWaalsContact O-N 3.1Å; L339-T351 HydrophobicContact CD2-CG2 4.11Å; L339-S353 PolarHBondContact O-N 3.35Å; L339-A528 HydrophobicContact CD1-CB 4.1Å
340	T	85.2	Confident	80.5	Confident	20 Å²	20	56.7 Å²	56.7	12%	0.123	30%	0.295	C	S	.	.			trans	-65.3	140.6	-177.5	-175.5	0	0	0	0	111.6	H336 H342 K344 D356	H336-T340 WeakPolarHBondContact O-CB 3.47Å; H336-T340 PolarHBondContact O-N 3.48Å; T340-H342 PolarHBondContact OG1-CD2 3.22Å; T340-H342 PolarHBondContact OG1-N 3.08Å; T340-K344 VanDerWaalsContact O-CD 3.29Å; T340-K344 WeakPolarHBondContact O-CD 3.46Å; T340-K344 WeakPolarHBondContact O-CE 3.4Å; T340-K344 PolarHBondContact O-NZ 3.36Å; T340-D356 WeakPolarHBondContact CA-OD2 3.48Å; T340-D356 WeakPolarHBondContact CB-OD2 3.39Å; T340-D356 PolarHBondContact OG1-OD1 2.92Å; T340-D356 PolarHBondContact OG1-OD2 2.98Å
341	I	83.4	Confident	80.3	Confident	54 Å²	54	57.1 Å²	57.1	28%	0.277	30%	0.298	S	S	.	.			trans	-82.5	-18.6	174.4	59	172.2	0	0	0	112.3	G343 K344 V349 V352 D356	I341-G343 PolarHBondContact O-N 3.22Å; I341-K344 PolarHBondContact O-N 3.29Å; I341-V349 HydrophobicContact CG2-CG1 3.95Å; I341-V349 HydrophobicContact CG2-CG2 4.28Å; I341-V352 HydrophobicContact CG2-CB 4.31Å; I341-V352 HydrophobicContact CG2-CG1 3.88Å; I341-V352 HydrophobicContact CG2-CG2 3.75Å; I341-D356 HydrophobicContact CG1-CB 4.28Å; I341-D356 PolarHBondContact N-OD2 3.44Å
342	H	83.9	Confident	80.6	Confident	127 Å²	127	57.9 Å²	57.9	59%	0.588	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	122.7	-175.1	-65.7	-59.8	0	0	0	111	T340 K344 D356	T340-H342 PolarHBondContact OG1-CD2 3.22Å; T340-H342 PolarHBondContact OG1-N 3.08Å; H342-K344 VanDerWaalsContact C-N 3.31Å; H342-K344 PolarHBondContact O-N 3Å; H342-D356 IonicContact CD2-OD1 2.67Å; H342-D356 PolarHBondContact CD2-OD1 2.89Å; H342-D356 IonicContact CD2-OD2 3.12Å; H342-D356 IonicContact NE2-OD1 3.25Å
343	G	78.8	Confident	80.9	Confident	90 Å²	90	57.7 Å²	57.7	93%	0.928	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	13.8	178.3	0	0	0	0	0	115	I341	I341-G343 PolarHBondContact O-N 3.22Å
344	K	75.3	Confident	81.6	Confident	74 Å²	74	57.5 Å²	57.5	32%	0.322	30%	0.3	S	S	.	.	S	Bend	trans	-112.7	156.7	174.1	-63.8	-170.3	-172.1	140.3	0	111.7	E337 Q338 T340 I341 H342 H346	E337-K344 PolarHBondContact O-NZ 3.37Å; Q338-K344 PolarHBondContact O-NZ 3.48Å; T340-K344 VanDerWaalsContact O-CD 3.29Å; T340-K344 WeakPolarHBondContact O-CD 3.46Å; T340-K344 WeakPolarHBondContact O-CE 3.4Å; T340-K344 PolarHBondContact O-NZ 3.36Å; I341-K344 PolarHBondContact O-N 3.29Å; H342-K344 VanDerWaalsContact C-N 3.31Å; H342-K344 PolarHBondContact O-N 3Å; K344-H346 PolarHBondContact O-N 3.43Å
345	D	75.6	Confident	82	Confident	102 Å²	102	60 Å²	60	55%	0.545	31%	0.308	S	S	.	.			trans	-68.7	124.4	171.7	-175.4	-3.4	0	0	0	109.8	E347 S348	D345-E347 PolarHBondContact O-N 3.27Å; D345-E347 PolarHBondContact OD1-N 3.32Å; D345-E347 VanDerWaalsContact OD1-N 3.16Å; D345-S348 WeakPolarHBondContact O-CB 3.43Å; D345-S348 PolarHBondContact O-N 2.84Å; D345-S348 PolarHBondContact O-OG 3.3Å
346	H	74.1	Confident	82.4	Confident	139 Å²	139	58.2 Å²	58.2	64%	0.644	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-64	-28.9	-176.6	-63.7	175.5	0	0	0	112.5	K344 S348 V349	K344-H346 PolarHBondContact O-N 3.43Å; H346-S348 PolarHBondContact O-N 3Å; H346-V349 PolarHBondContact O-N 2.99Å
347	E	72.2	Confident	82.7	Confident	175 Å²	175	57 Å²	57	82%	0.818	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-68.3	-18.4	176.2	-64	-170.9	172.5	0	0	112.4	D345	D345-E347 PolarHBondContact O-N 3.27Å; D345-E347 PolarHBondContact OD1-N 3.32Å; D345-E347 VanDerWaalsContact OD1-N 3.16Å
348	S	69.1	Low	83.2	Confident	20 Å²	20	55.8 Å²	55.8	14%	0.14	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-92.9	1.2	176.3	71.1	0	0	0	0	114.1	H64 D345 H346	H64-S348 PolarHBondContact CD2-O 3.06Å; H64-S348 PolarHBondContact NE2-O 3.36Å; D345-S348 WeakPolarHBondContact O-CB 3.43Å; D345-S348 PolarHBondContact O-N 2.84Å; D345-S348 PolarHBondContact O-OG 3.3Å; H346-S348 PolarHBondContact O-N 3Å
349	V	73.7	Confident	84	Confident	13 Å²	13	58.6 Å²	58.6	8%	0.079	30%	0.304	C	S	.	.			trans	-92.7	115.5	-176.5	179	0	0	0	0	110.4	I341 H346 V352 H525	I341-V349 HydrophobicContact CG2-CG1 3.95Å; I341-V349 HydrophobicContact CG2-CG2 4.28Å; H346-V349 PolarHBondContact O-N 2.99Å; V349-V352 HydrophobicContact CG1-CG2 3.71Å; V349-H525 PolarHBondContact O-CE1 3.4Å; V349-H525 PolarHBondContact O-ND1 3.25Å
350	F	79.1	Confident	84.6	Confident	60 Å²	60	62.9 Å²	62.9	26%	0.263	32%	0.323	S	S	.	.	S	Bend	trans	-105.1	-16.9	174.8	-58.4	-66	0	0	0	113.7	H64	H64-F350 AromaticContact CD2-CD2 3.37Å; H64-F350 WeakPolarHBondContact CD2-CD2 3.29Å; H64-F350 AromaticContact CD2-CE2 3.58Å; H64-F350 AromaticContact NE2-CD2 3.79Å; H64-F350 AromaticContact NE2-CE2 3.45Å; H64-F350 WeakPolarHBondContact NE2-CE2 3.4Å
351	T	84.5	Confident	85.2	Confident	12 Å²	12	62.1 Å²	62.1	7%	0.074	32%	0.318	C	S	.	.	S	Bend	trans	-151.3	138.8	178.4	-60	0	0	0	0	108.4	L339 P526 A528	L339-T351 HydrophobicContact CD2-CG2 4.11Å; T351-P526 WeakPolarHBondContact CA-O 3.47Å; T351-A528 HydrophobicContact CG2-CB 3.61Å
352	V	89.1	Confident	85.9	Confident	18 Å²	18	62.1 Å²	62.1	11%	0.109	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.9	-173.3	175.7	0	0	0	0	110.4	I341 V349 L354 H525 P526 I527 A528	I341-V352 HydrophobicContact CG2-CB 4.31Å; I341-V352 HydrophobicContact CG2-CG1 3.88Å; I341-V352 HydrophobicContact CG2-CG2 3.75Å; V349-V352 HydrophobicContact CG1-CG2 3.71Å; V352-L354 PolarHBondContact O-N 3.46Å; V352-H525 HydrophobicContact CG2-CB 3.96Å; V352-P526 PolarHBondContact N-O 3.27Å; V352-I527 HydrophobicContact CB-CG1 4.49Å; V352-I527 CarbonylContact O-C 3.41Å; V352-I527 WeakPolarHBondContact O-CA 3.44Å; V352-A528 PolarHBondContact O-N 2.92Å
353	S	91.6	Very high	86.6	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	126.3	171.6	166.9	0	0	0	0	111.8	H336 L339 W355 D356 P530	H336-S353 PolarHBondContact CE1-OG 2.93Å; H336-S353 PolarHBondContact ND1-OG 2.63Å; L339-S353 PolarHBondContact O-N 3.35Å; S353-W355 PolarHBondContact O-N 3.44Å; S353-W355 VanDerWaalsContact O-N 3.16Å; S353-W355 PolarHBondContact OG-N 3.48Å; S353-D356 PolarHBondContact O-N 2.93Å; S353-P530 VanDerWaalsContact OG-CG 3.29Å; S353-P530 WeakPolarHBondContact OG-CG 3.49Å
354	L	94.4	Very high	87.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-55.4	-31.3	171.9	-177.8	143	0	0	0	112.5	V352 D356 C357 I420 K421 I469 L475 I527 A528 L529	V352-L354 PolarHBondContact O-N 3.46Å; L354-D356 PolarHBondContact O-N 3.16Å; L354-C357 WeakPolarHBondContact O-CB 3.46Å; L354-C357 PolarHBondContact O-N 2.76Å; L354-C357 VanDerWaalsContact O-N 3.14Å; L354-I420 HydrophobicContact CD1-CG2 4.46Å; L354-I420 WeakPolarHBondContact CD2-O 3.37Å; L354-I420 HydrophobicContact CG-CG2 4.16Å; L354-K421 WeakPolarHBondContact O-CA 3.39Å; L354-K421 WeakPolarHBondContact O-CB 3.17Å; L354-I469 HydrophobicContact CD1-CD1 4.11Å; L354-L475 HydrophobicContact CD1-CB 4.35Å; L354-L475 HydrophobicContact CD1-CD1 4.32Å; L354-I527 VanDerWaalsContact CA-CG2 3.5Å; L354-I527 HydrophobicContact CB-CG2 3.69Å; L354-I527 HydrophobicContact CD1-CG2 4.32Å; L354-I527 HydrophobicContact CG-CG2 4.18Å; L354-A528 WeakPolarHBondContact CB-O 3.42Å; L354-A528 PolarHBondContact N-O 3.05Å; L354-L529 HydrophobicContact CD2-CD1 4.01Å
355	W	92.8	Very high	88.7	Confident	55 Å²	55	50.1 Å²	50.1	21%	0.208	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-69.6	-17	179.2	-64.5	-16.4	0	0	0	114.6	H336 S353 C357 P530 Q601	H336-W355 HydrophobicContact CB-CE3 3.67Å; H336-W355 HydrophobicContact CB-CZ3 3.83Å; H336-W355 AromaticContact CG-CE3 3.71Å; H336-W355 AromaticContact ND1-CE3 3.79Å; S353-W355 PolarHBondContact O-N 3.44Å; S353-W355 VanDerWaalsContact O-N 3.16Å; S353-W355 PolarHBondContact OG-N 3.48Å; W355-C357 VanDerWaalsContact C-N 3.28Å; W355-P530 HydrophobicContact CD2-CG 3.94Å; W355-P530 HydrophobicContact CE3-CB 4.35Å; W355-P530 HydrophobicContact CE3-CG 4.1Å; W355-P530 HydrophobicContact CG-CG 4.2Å; W355-P530 HydrophobicContact CZ3-CB 4.39Å; W355-Q601 HydrophobicContact CD2-CG 4.22Å; W355-Q601 HydrophobicContact CG-CG 4.14Å; W355-Q601 HydrophobicContact CZ2-CG 4.4Å
356	D	92.7	Very high	89.7	Confident	28 Å²	28	50.2 Å²	50.2	15%	0.15	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-80.9	-11.9	174.3	-66.8	-17.9	0	0	0	111.9	H336 T340 I341 H342 S353 L354 D358	H336-D356 IonicContact CE1-OD1 3.13Å; H336-D356 PolarHBondContact CE1-OD1 3.02Å; H336-D356 IonicContact NE2-OD1 3.5Å; T340-D356 WeakPolarHBondContact CA-OD2 3.48Å; T340-D356 WeakPolarHBondContact CB-OD2 3.39Å; T340-D356 PolarHBondContact OG1-OD1 2.92Å; T340-D356 PolarHBondContact OG1-OD2 2.98Å; I341-D356 HydrophobicContact CG1-CB 4.28Å; I341-D356 PolarHBondContact N-OD2 3.44Å; H342-D356 IonicContact CD2-OD1 2.67Å; H342-D356 PolarHBondContact CD2-OD1 2.89Å; H342-D356 IonicContact CD2-OD2 3.12Å; H342-D356 IonicContact NE2-OD1 3.25Å; S353-D356 PolarHBondContact O-N 2.93Å; L354-D356 PolarHBondContact O-N 3.16Å; D356-D358 PolarHBondContact O-N 3Å; D356-D358 VanDerWaalsContact O-N 3.17Å
357	C	93.8	Very high	90.9	Very high	21 Å²	21	43.6 Å²	43.6	14%	0.142	20%	0.197	C	C	.	.			trans	-86.3	87.4	-174.3	-59	0	0	0	0	112.3	L354 W355 R359 I420 K421	L354-C357 WeakPolarHBondContact O-CB 3.46Å; L354-C357 PolarHBondContact O-N 2.76Å; L354-C357 VanDerWaalsContact O-N 3.14Å; W355-C357 VanDerWaalsContact C-N 3.28Å; C357-R359 VanDerWaalsContact C-N 3.26Å; C357-R359 PolarHBondContact O-N 3.48Å; C357-I420 HydrophobicContact CB-CB 3.81Å; C357-I420 HydrophobicContact CB-CD1 4.42Å; C357-I420 HydrophobicContact CB-CG2 3.62Å; C357-K421 WeakPolarHBondContact O-CB 3.41Å; C357-K421 PolarHBondContact O-N 3.47Å; C357-K421 VanDerWaalsContact O-N 3.09Å
358	D	94.4	Very high	92.1	Very high	86 Å²	86	35.3 Å²	35.3	46%	0.46	16%	0.158	S	C	.	.			trans	-78.1	-4.8	-179.5	-156.5	61.1	0	0	0	114.7	D356 K419 K421	D356-D358 PolarHBondContact O-N 3Å; D356-D358 VanDerWaalsContact O-N 3.17Å; D358-K419 WeakPolarHBondContact OD1-CD 3.33Å; D358-K419 IonicContact OD1-NZ 2.97Å; D358-K419 PolarHBondContact OD1-NZ 3.17Å; D358-K419 IonicContact OD2-NZ 3.86Å; D358-K419 PolarHBondContact OD2-NZ 3.32Å; D358-K421 VanDerWaalsContact OD1-CE 3.27Å; D358-K421 WeakPolarHBondContact OD1-CE 3.4Å; D358-K421 IonicContact OD1-NZ 3.3Å; D358-K421 PolarHBondContact OD1-NZ 3.29Å
359	R	95.6	Very high	93.4	Very high	128 Å²	128	36.9 Å²	36.9	48%	0.483	17%	0.166	S	C	.	.	S	Bend	trans	-68.2	148.3	178.9	-167.3	-177.1	-178.9	161.3	6.8	111.2	C357 R362 K419 I420	C357-R359 VanDerWaalsContact C-N 3.26Å; C357-R359 PolarHBondContact O-N 3.48Å; R359-R362 VanDerWaalsContact NH2-NH1 3.19Å; R359-K419 CarbonylContact O-C 3.47Å; R359-K419 WeakPolarHBondContact O-CA 3.05Å; R359-I420 HydrophobicContact CB-CD1 4.21Å; R359-I420 WeakPolarHBondContact O-CG1 3.5Å; R359-I420 PolarHBondContact O-N 2.85Å
360	K	97.7	Very high	94.3	Very high	98 Å²	98	36.8 Å²	36.8	43%	0.426	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	139.2	168.8	-71.3	177	179.3	177	0	111.4	E415 F416 I418	K360-E415 HydrophobicContact CB-CG 3.78Å; K360-E415 HydrophobicContact CD-CG 4.16Å; K360-E415 WeakPolarHBondContact CD-OE2 3.34Å; K360-F416 WeakPolarHBondContact CB-O 3.46Å; K360-F416 WeakPolarHBondContact CD-O 3.37Å; K360-I418 WeakPolarHBondContact CA-O 3.49Å
361	F	98.3	Very high	94.7	Very high	4 Å²	4	37 Å²	37	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	142.1	172.9	178.2	-100.7	0	0	0	110.3	I387 F416 I418 I420 L423 L468 L520	F361-I387 HydrophobicContact CD1-CD1 3.73Å; F361-I387 HydrophobicContact CD1-CG1 4.47Å; F361-I387 HydrophobicContact CE1-CD1 3.56Å; F361-F416 AromaticContact CD1-CD2 3.47Å; F361-F416 HydrophobicContact CD1-CD2 3.47Å; F361-F416 VanDerWaalsContact CD1-CD2 3.47Å; F361-F416 AromaticContact CD1-CE2 3.85Å; F361-F416 HydrophobicContact CD1-CE2 3.85Å; F361-F416 HydrophobicContact CD1-CG 4.2Å; F361-F416 AromaticContact CE1-CD2 3.93Å; F361-F416 HydrophobicContact CE1-CD2 3.93Å; F361-F416 AromaticContact CE1-CE2 3.8Å; F361-F416 HydrophobicContact CE1-CE2 3.8Å; F361-F416 PolarHBondContact O-N 3.1Å; F361-I418 HydrophobicContact CB-CG2 4.23Å; F361-I418 PolarHBondContact N-O 3.26Å; F361-I420 HydrophobicContact CB-CG1 4.29Å; F361-L423 HydrophobicContact CD2-CD1 4Å; F361-L423 HydrophobicContact CG-CD1 4.37Å; F361-L468 HydrophobicContact CE1-CD2 4.18Å; F361-L468 HydrophobicContact CE2-CD2 3.86Å; F361-L468 HydrophobicContact CZ-CD1 4.48Å; F361-L468 HydrophobicContact CZ-CD2 3.44Å; F361-L468 VanDerWaalsContact CZ-CD2 3.44Å; F361-L520 HydrophobicContact CE2-CD2 4.18Å; F361-L520 HydrophobicContact CZ-CD2 3.73Å
362	R	97.9	Very high	94.8	Very high	54 Å²	54	41.5 Å²	41.5	20%	0.204	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	151.9	175.1	61.4	176.8	-172	164.5	10.1	111.5	R359 W413 L414 E415 D521	R359-R362 VanDerWaalsContact NH2-NH1 3.19Å; R362-W413 HydrophobicContact CB-CE3 4.06Å; R362-W413 HydrophobicContact CB-CZ3 4.45Å; R362-W413 HydrophobicContact CG-CE3 3.7Å; R362-W413 HydrophobicContact CG-CZ3 3.74Å; R362-L414 CarbonylContact C-O 3.55Å; R362-L414 WeakPolarHBondContact CA-O 3.3Å; R362-L414 WeakPolarHBondContact CB-O 3.35Å; R362-E415 HydrophobicContact CB-CB 4.11Å; R362-E415 HydrophobicContact CB-CG 4.32Å; R362-D521 WeakPolarHBondContact CG-OD2 3.01Å; R362-D521 IonicContact CZ-OD1 2.92Å; R362-D521 VanDerWaalsContact CZ-OD1 3.25Å; R362-D521 IonicContact CZ-OD2 3.25Å; R362-D521 IonicContact NE-OD1 3.49Å; R362-D521 PolarHBondContact NE-OD1 2.78Å; R362-D521 IonicContact NE-OD2 3.93Å; R362-D521 PolarHBondContact NE-OD2 2.92Å; R362-D521 IonicContact NH2-OD1 2.96Å; R362-D521 PolarHBondContact NH2-OD1 2.87Å; R362-D521 IonicContact NH2-OD2 2.73Å
363	V	98.5	Very high	94.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.8	173.5	65.5	0	0	0	0	109.1	I365 L414 F416 L429 I518 L520	V363-I365 HydrophobicContact CG1-CD1 4.15Å; V363-I365 HydrophobicContact CG2-CD1 4.47Å; V363-L414 HydrophobicContact CG1-CB 4.22Å; V363-L414 PolarHBondContact N-O 3.19Å; V363-L414 PolarHBondContact O-N 3.22Å; V363-F416 HydrophobicContact CG1-CE2 3.78Å; V363-F416 HydrophobicContact CG1-CZ 4.23Å; V363-L429 HydrophobicContact CB-CD2 4.46Å; V363-L429 HydrophobicContact CG2-CD2 4.15Å; V363-I518 HydrophobicContact CG2-CB 4.01Å; V363-I518 HydrophobicContact CG2-CD1 4.24Å; V363-I518 HydrophobicContact CG2-CG2 4.45Å; V363-L520 HydrophobicContact CB-CD2 4.05Å; V363-L520 HydrophobicContact CG2-CD2 3.77Å
364	K	98.7	Very high	93.5	Very high	39 Å²	39	45.8 Å²	45.8	17%	0.17	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123	171.1	-157.2	-174.8	-162.6	-168	0	109.6	N411 V412 W413 I518 L519	K364-N411 WeakPolarHBondContact CE-OD1 3.47Å; K364-N411 PolarHBondContact NZ-OD1 2.77Å; K364-V412 CarbonylContact C-O 3.55Å; K364-V412 WeakPolarHBondContact CA-O 3.46Å; K364-W413 HydrophobicContact CB-CD2 3.75Å; K364-W413 HydrophobicContact CB-CE3 3.81Å; K364-W413 HydrophobicContact CB-CG 4.35Å; K364-W413 HydrophobicContact CB-CH2 4.14Å; K364-W413 HydrophobicContact CB-CZ2 4.08Å; K364-W413 HydrophobicContact CB-CZ3 4Å; K364-W413 HydrophobicContact CD-CD2 4.39Å; K364-W413 HydrophobicContact CD-CZ2 4.16Å; K364-W413 HydrophobicContact CG-CD2 3.95Å; K364-W413 HydrophobicContact CG-CE3 4.49Å; K364-W413 HydrophobicContact CG-CG 4.09Å; K364-W413 HydrophobicContact CG-CZ2 4.45Å; K364-I518 CarbonylContact O-C 3.57Å; K364-I518 VanDerWaalsContact O-CA 3.25Å; K364-I518 WeakPolarHBondContact O-CA 3.49Å; K364-L519 HydrophobicContact CB-CB 4.02Å; K364-L519 HydrophobicContact CD-CD2 4.18Å; K364-L519 PolarHBondContact N-O 2.92Å; K364-L519 PolarHBondContact O-N 3.31Å
365	I	98.6	Very high	92.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	108.7	170	-53.7	-54.6	0	0	0	107.3	V363 V383 T399 W410 N411 V412 L414 L431 I518	V363-I365 HydrophobicContact CG1-CD1 4.15Å; V363-I365 HydrophobicContact CG2-CD1 4.47Å; I365-V383 HydrophobicContact CD1-CG1 4.29Å; I365-V383 HydrophobicContact CG1-CG1 4.45Å; I365-V383 HydrophobicContact CG2-CB 4.37Å; I365-V383 HydrophobicContact CG2-CG1 4.43Å; I365-V383 HydrophobicContact CG2-CG2 4.09Å; I365-T399 HydrophobicContact CB-CG2 4.18Å; I365-T399 HydrophobicContact CG1-CG2 4.08Å; I365-T399 HydrophobicContact CG2-CG2 4.26Å; I365-W410 HydrophobicContact CG2-CB 4.42Å; I365-W410 HydrophobicContact CG2-CE3 4.17Å; I365-N411 CarbonylContact O-C 3.46Å; I365-N411 WeakPolarHBondContact O-CA 3.09Å; I365-N411 PolarHBondContact O-N 2.84Å; I365-V412 PolarHBondContact N-O 2.91Å; I365-V412 PolarHBondContact O-N 2.86Å; I365-V412 VanDerWaalsContact O-N 3.07Å; I365-L414 HydrophobicContact CD1-CD1 4.29Å; I365-L414 HydrophobicContact CG1-CD1 3.63Å; I365-L414 HydrophobicContact CG1-CG 4.07Å; I365-L431 HydrophobicContact CD1-CD2 4.14Å; I365-I518 HydrophobicContact CD1-CG2 3.85Å
366	R	98.1	Very high	91.2	Very high	104 Å²	104	59.5 Å²	59.5	39%	0.392	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-57.6	178.6	-66.9	-173.5	174.7	-164.2	0.6	110	W410 N411 D479 S517	R366-W410 PolarHBondContact O-N 3.07Å; R366-N411 PolarHBondContact O-N 3.12Å; R366-D479 IonicContact CZ-OD1 2.99Å; R366-D479 IonicContact NE-OD1 3.37Å; R366-D479 PolarHBondContact NE-OD1 3.23Å; R366-D479 IonicContact NH1-OD1 3.64Å; R366-D479 IonicContact NH2-OD1 2.64Å; R366-D479 PolarHBondContact NH2-OD1 2.88Å; R366-D479 IonicContact NH2-OD2 3.39Å; R366-D479 PolarHBondContact NH2-OD2 2.8Å; R366-S517 WeakPolarHBondContact CB-O 3.49Å; R366-S517 PolarHBondContact N-O 2.99Å
367	G	97.7	Very high	89.8	Confident	1 Å²	1	64 Å²	64	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	179.8	-178.9	0	0	0	0	0	112.8	V408 S517	G367-V408 CarbonylContact C-O 3.54Å; G367-V408 WeakPolarHBondContact CA-O 3.48Å; G367-S517 PolarHBondContact N-O 3.15Å; G367-S517 PolarHBondContact O-N 2.58Å
368	I	97.7	Very high	88.9	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.2	174.1	64.2	178.7	0	0	0	109.3	V381 V383 E407 V408 W410 I433 M514 S515 I516	I368-V381 HydrophobicContact CD1-CG2 4.23Å; I368-V383 HydrophobicContact CG2-CG2 4.21Å; I368-E407 WeakPolarHBondContact O-CA 3.46Å; I368-V408 HydrophobicContact CD1-CB 4.11Å; I368-V408 HydrophobicContact CD1-CG2 4.26Å; I368-V408 HydrophobicContact CG1-CB 3.75Å; I368-V408 HydrophobicContact CG1-CG2 4.23Å; I368-V408 PolarHBondContact N-O 3.15Å; I368-V408 PolarHBondContact O-N 3.14Å; I368-W410 HydrophobicContact CD1-CH2 3.95Å; I368-W410 HydrophobicContact CD1-CZ3 3.89Å; I368-W410 HydrophobicContact CG1-CH2 4.4Å; I368-W410 HydrophobicContact CG1-CZ3 3.87Å; I368-W410 HydrophobicContact CG2-CZ3 4.07Å; I368-I433 HydrophobicContact CB-CD1 4.24Å; I368-I433 HydrophobicContact CD1-CD1 3.98Å; I368-I433 HydrophobicContact CD1-CG2 4.48Å; I368-I433 HydrophobicContact CG2-CD1 3.74Å; I368-I433 HydrophobicContact CG2-CG1 4.41Å; I368-M514 HydrophobicContact CB-CE 4.5Å; I368-M514 HydrophobicContact CB-SD 3.74Å; I368-M514 HydrophobicContact CD1-CE 4.01Å; I368-M514 HydrophobicContact CD1-SD 4.37Å; I368-M514 HydrophobicContact CG1-CE 4.42Å; I368-M514 HydrophobicContact CG1-SD 4.26Å; I368-S515 CarbonylContact C-O 3.43Å; I368-S515 VanDerWaalsContact CA-O 3.24Å; I368-S515 WeakPolarHBondContact CA-O 3.4Å; I368-I516 HydrophobicContact CG2-CB 4.04Å; I368-I516 HydrophobicContact CG2-CD1 4.1Å; I368-I516 HydrophobicContact CG2-CG1 3.85Å
369	D	96.7	Very high	88.6	Confident	54 Å²	54	65.2 Å²	65.2	29%	0.289	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	125.4	-176.8	-58.7	-89.6	0	0	0	109.5	E406 M514 S515	D369-E406 CarbonylContact C-O 3.56Å; D369-E406 WeakPolarHBondContact CA-O 3.39Å; D369-M514 CarbonylContact O-C 3.5Å; D369-M514 WeakPolarHBondContact O-CA 3.33Å; D369-S515 PolarHBondContact N-O 3.04Å; D369-S515 PolarHBondContact O-N 3.39Å
370	I	93	Very high	88.4	Confident	11 Å²	11	60.4 Å²	60.4	6%	0.056	30%	0.3	C	S	.	.			trans	-130.7	128.6	175	-169.9	170.1	0	0	0	111.3	V372 L373 F404 E406 Y462 M514	I370-V372 VanDerWaalsContact C-N 3.33Å; I370-V372 WeakPolarHBondContact CD1-O 3.34Å; I370-V372 PolarHBondContact O-N 3.38Å; I370-L373 HydrophobicContact CG2-CD2 4.07Å; I370-F404 HydrophobicContact CG2-CE2 4.05Å; I370-F404 HydrophobicContact CG2-CZ 4.39Å; I370-E406 PolarHBondContact N-O 3.24Å; I370-Y462 HydrophobicContact CD1-CE1 4.49Å; I370-Y462 HydrophobicContact CD1-CE2 4.42Å; I370-Y462 VanDerWaalsContact CD1-OH 3.26Å; I370-Y462 WeakPolarHBondContact CD1-OH 3.45Å; I370-M514 HydrophobicContact CB-CB 4.46Å; I370-M514 HydrophobicContact CB-CE 3.54Å; I370-M514 HydrophobicContact CB-SD 3.86Å; I370-M514 HydrophobicContact CD1-CB 4.31Å; I370-M514 HydrophobicContact CD1-CE 4.07Å; I370-M514 HydrophobicContact CG1-CB 4.42Å; I370-M514 HydrophobicContact CG1-CE 4.32Å; I370-M514 HydrophobicContact CG2-CE 3.74Å
371	P	87.7	Confident	88.2	Confident	64 Å²	64	55.7 Å²	55.7	42%	0.416	28%	0.279	S	S	.	.	S	Bend	trans	-63.4	-33	-179.2	-26	35.2	0	0	0	114.7	E511 S513	P371-E511 WeakPolarHBondContact CG-O 3.44Å; P371-S513 WeakPolarHBondContact CD-O 3.45Å
372	V	85.1	Confident	88.1	Confident	107 Å²	107	56.2 Å²	56.2	65%	0.648	28%	0.282	S	S	*	.	S	Bend	trans	-137.1	119.8	-177.5	-177.4	0	0	0	0	110.3	I370	I370-V372 VanDerWaalsContact C-N 3.33Å; I370-V372 WeakPolarHBondContact CD1-O 3.34Å; I370-V372 PolarHBondContact O-N 3.38Å
373	L	79.2	Confident	88.1	Confident	59 Å²	59	53.7 Å²	53.7	31%	0.309	27%	0.272	S	S	.	.			trans	-71.8	148.6	177.4	-78.6	166.6	0	0	0	112.9	I370 F404 E406	I370-L373 HydrophobicContact CG2-CD2 4.07Å; L373-F404 HydrophobicContact CD2-CD1 4.43Å; L373-F404 HydrophobicContact CD2-CD2 3.81Å; L373-F404 HydrophobicContact CD2-CE2 3.88Å; L373-F404 HydrophobicContact CD2-CG 4.09Å; L373-F404 HydrophobicContact CD2-CZ 4.25Å; L373-E406 HydrophobicContact CD1-CG 3.83Å; L373-E406 HydrophobicContact CG-CG 3.98Å
374	P	75.2	Confident	88.1	Confident	48 Å²	48	54.1 Å²	54.1	31%	0.312	27%	0.274	S	S	.	.			trans	-58.5	148.9	167	-21.4	33.4	0	0	0	111.5	N376 F404	P374-N376 PolarHBondContact O-N 2.82Å; P374-F404 HydrophobicContact CG-CD1 4.47Å; P374-F404 HydrophobicContact CG-CE1 3.74Å; P374-F404 HydrophobicContact CG-CZ 4.41Å
375	R	71.2	Confident	88.1	Confident	262 Å²	262	52.2 Å²	52.2	99%	0.989	27%	0.266	S	S	*	.	S	Bend	trans	-60.2	-4.8	-173.6	-65.3	-177.3	179.6	178.6	-0.6	116.3
376	N	68.6	Low	88	Confident	82 Å²	82	52.4 Å²	52.4	44%	0.439	27%	0.267	S	S	.	.			trans	-107.3	115.3	-178.1	-167.2	2.5	0	0	0	109.4	P374 L379	P374-N376 PolarHBondContact O-N 2.82Å; N376-L379 HydrophobicContact CB-CD1 4.02Å; N376-L379 HydrophobicContact CB-CG 4.19Å; N376-L379 WeakPolarHBondContact O-CD1 3.48Å; N376-L379 WeakPolarHBondContact O-CG 3.18Å
377	T	61.5	Low	88	Confident	123 Å²	123	47.5 Å²	47.5	76%	0.755	25%	0.248	S	C	*	.	S	Bend	trans	-85.3	-13.8	-169.7	50.5	0	0	0	0	114.1	L379	T377-L379 PolarHBondContact O-N 2.71Å
378	D	76.7	Confident	87.8	Confident	112 Å²	112	48.7 Å²	48.7	60%	0.599	25%	0.254	S	S	*	.	S	Bend	trans	-100.3	44.5	-175.4	-61.9	-21.6	0	0	0	112.6	T438	D378-T438 PolarHBondContact O-N 3.1Å; D378-T438 PolarHBondContact O-OG1 2.73Å
379	L	86.6	Confident	87.6	Confident	20 Å²	20	48.9 Å²	48.9	11%	0.105	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.6	-178.1	-62.2	-179.6	0	0	0	111.3	N376 T377 F404	N376-L379 HydrophobicContact CB-CD1 4.02Å; N376-L379 HydrophobicContact CB-CG 4.19Å; N376-L379 WeakPolarHBondContact O-CD1 3.48Å; N376-L379 WeakPolarHBondContact O-CG 3.18Å; T377-L379 PolarHBondContact O-N 2.71Å; L379-F404 HydrophobicContact CB-CB 4.12Å; L379-F404 HydrophobicContact CB-CD1 4.38Å; L379-F404 HydrophobicContact CD1-CD1 4.48Å; L379-F404 WeakPolarHBondContact O-CB 3.49Å; L379-F404 PolarHBondContact O-N 3.35Å
380	T	91.5	Very high	87.1	Confident	26 Å²	26	46.5 Å²	46.5	16%	0.16	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143	169.1	56.6	0	0	0	0	109.3	K402 C435 C436 T438	T380-K402 CarbonylContact C-O 3.51Å; T380-K402 VanDerWaalsContact CA-O 3.24Å; T380-K402 WeakPolarHBondContact CA-O 3.4Å; T380-C435 CarbonylContact O-C 3.58Å; T380-C435 VanDerWaalsContact O-CA 3.29Å; T380-C435 WeakPolarHBondContact O-CA 3.5Å; T380-C436 PolarHBondContact N-O 3.25Å; T380-C436 PolarHBondContact O-N 3.19Å; T380-C436 WeakPolarHBondContact OG1-CB 3.48Å; T380-C436 PolarHBondContact OG1-O 2.8Å; T380-T438 HydrophobicContact CG2-CG2 4.39Å
381	V	94.1	Very high	86.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.3	-180	-71.6	0	0	0	0	112	I368 P401 K402 F404 V408 W410 I433 Y434 C435	I368-V381 HydrophobicContact CD1-CG2 4.23Å; V381-P401 CarbonylContact O-C 3.56Å; V381-P401 WeakPolarHBondContact O-CA 3.27Å; V381-K402 PolarHBondContact N-O 3.22Å; V381-K402 PolarHBondContact O-N 3.44Å; V381-F404 HydrophobicContact CB-CB 4.45Å; V381-F404 HydrophobicContact CB-CG 4.37Å; V381-F404 HydrophobicContact CG1-CB 3.77Å; V381-F404 HydrophobicContact CG1-CD1 3.54Å; V381-F404 HydrophobicContact CG1-CD2 3.9Å; V381-F404 HydrophobicContact CG1-CE1 4.03Å; V381-F404 HydrophobicContact CG1-CE2 4.37Å; V381-F404 HydrophobicContact CG1-CG 3.46Å; V381-F404 VanDerWaalsContact CG1-CG 3.46Å; V381-F404 HydrophobicContact CG1-CZ 4.43Å; V381-F404 HydrophobicContact CG2-CB 3.94Å; V381-F404 HydrophobicContact CG2-CD2 3.85Å; V381-F404 HydrophobicContact CG2-CG 3.99Å; V381-V408 HydrophobicContact CG2-CG2 4.32Å; V381-W410 HydrophobicContact CG2-CH2 4.25Å; V381-I433 HydrophobicContact CB-CG2 4.21Å; V381-I433 HydrophobicContact CG1-CG2 4.2Å; V381-Y434 CarbonylContact C-O 3.56Å; V381-Y434 WeakPolarHBondContact CA-O 3.46Å; V381-Y434 WeakPolarHBondContact CB-O 3.44Å; V381-C435 HydrophobicContact CG1-CB 4.15Å
382	F	96.6	Very high	86.5	Confident	15 Å²	15	49.9 Å²	49.9	7%	0.066	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	157.4	168.3	65	-89.1	0	0	0	110.4	E384 R398 P401 Y434 A458	F382-E384 HydrophobicContact CE2-CB 4.38Å; F382-R398 HydrophobicContact CD2-CB 4.38Å; F382-R398 HydrophobicContact CD2-CG 4.29Å; F382-R398 HydrophobicContact CE2-CG 4.14Å; F382-P401 HydrophobicContact CB-CG 4.48Å; F382-P401 HydrophobicContact CD1-CG 4.4Å; F382-Y434 VanDerWaalsContact CE1-CB 3.47Å; F382-Y434 HydrophobicContact CE1-CG 4.34Å; F382-Y434 AromaticContact CE2-CD2 3.88Å; F382-Y434 HydrophobicContact CE2-CD2 3.88Å; F382-Y434 AromaticContact CE2-CG 3.96Å; F382-Y434 HydrophobicContact CE2-CG 3.96Å; F382-Y434 HydrophobicContact CZ-CD1 4.38Å; F382-Y434 HydrophobicContact CZ-CD2 4.09Å; F382-Y434 AromaticContact CZ-CG 3.69Å; F382-Y434 HydrophobicContact CZ-CG 3.69Å; F382-Y434 PolarHBondContact N-O 3.34Å; F382-Y434 PolarHBondContact O-N 3.08Å; F382-A458 HydrophobicContact CE1-CB 4.18Å; F382-A458 HydrophobicContact CZ-CB 4.28Å
383	V	97.6	Very high	86.9	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.1	174.4	179.1	0	0	0	0	108.5	I365 I368 R398 T399 W410 Q432 I433 I516	I365-V383 HydrophobicContact CD1-CG1 4.29Å; I365-V383 HydrophobicContact CG1-CG1 4.45Å; I365-V383 HydrophobicContact CG2-CB 4.37Å; I365-V383 HydrophobicContact CG2-CG1 4.43Å; I365-V383 HydrophobicContact CG2-CG2 4.09Å; I368-V383 HydrophobicContact CG2-CG2 4.21Å; V383-R398 CarbonylContact O-C 3.46Å; V383-R398 VanDerWaalsContact O-CA 3.3Å; V383-R398 WeakPolarHBondContact O-CA 3.26Å; V383-T399 HydrophobicContact CB-CG2 4.04Å; V383-T399 PolarHBondContact N-OG1 3.01Å; V383-T399 PolarHBondContact O-N 3.5Å; V383-W410 HydrophobicContact CG2-CE3 4.11Å; V383-W410 HydrophobicContact CG2-CH2 3.93Å; V383-W410 HydrophobicContact CG2-CZ3 3.67Å; V383-Q432 CarbonylContact C-O 3.32Å; V383-Q432 WeakPolarHBondContact CA-O 3.49Å; V383-I433 HydrophobicContact CG2-CG1 4.41Å; V383-I516 HydrophobicContact CG1-CD1 3.88Å; V383-I516 HydrophobicContact CG2-CD1 4.14Å
384	E	97.8	Very high	87.7	Confident	9 Å²	9	47 Å²	47	4%	0.042	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.4	164.6	-179.8	171.1	103.3	0	0	109.3	F382 N386 Q396 R398 Q432 Y434	F382-E384 HydrophobicContact CE2-CB 4.38Å; E384-N386 PolarHBondContact OE1-ND2 3.42Å; E384-N386 VanDerWaalsContact OE1-ND2 3.11Å; E384-Q396 HydrophobicContact CG-CG 4.27Å; E384-Q396 PolarHBondContact OE2-NE2 3.02Å; E384-R398 HydrophobicContact CB-CG 4.17Å; E384-R398 HydrophobicContact CG-CG 4.13Å; E384-R398 IonicContact OE2-CZ 3.53Å; E384-R398 IonicContact OE2-NE 2.68Å; E384-R398 PolarHBondContact OE2-NE 3.36Å; E384-R398 IonicContact OE2-NH2 3.89Å; E384-R398 PolarHBondContact OE2-NH2 2.91Å; E384-Q432 HydrophobicContact CB-CB 4.28Å; E384-Q432 PolarHBondContact N-O 2.86Å; E384-Q432 PolarHBondContact O-N 2.94Å; E384-Y434 HydrophobicContact CB-CD2 3.91Å; E384-Y434 HydrophobicContact CB-CE2 3.85Å; E384-Y434 HydrophobicContact CG-CE2 4.42Å
385	A	97.9	Very high	88.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.2	176.8	0	0	0	0	0	109.3	Q396 R397 L414 F416 L429 N430 L431	A385-Q396 WeakPolarHBondContact O-CA 3.41Å; A385-R397 PolarHBondContact N-O 3.48Å; A385-R397 PolarHBondContact O-N 3.36Å; A385-L414 HydrophobicContact CB-CD1 3.96Å; A385-F416 HydrophobicContact CB-CE1 4.39Å; A385-F416 HydrophobicContact CB-CZ 3.81Å; A385-F416 WeakPolarHBondContact O-CE1 3.47Å; A385-L429 HydrophobicContact CB-CD1 4.35Å; A385-N430 CarbonylContact C-O 3.56Å; A385-N430 WeakPolarHBondContact CA-O 3.26Å; A385-L431 HydrophobicContact CB-CD2 3.65Å
386	N	97.1	Very high	89.9	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.5	-177	-61.8	-54.6	0	0	0	109.7	E384 Q388 V393 C395 Q396 L429 N430	E384-N386 PolarHBondContact OE1-ND2 3.42Å; E384-N386 VanDerWaalsContact OE1-ND2 3.11Å; N386-Q388 HydrophobicContact CB-CG 4.07Å; N386-V393 HydrophobicContact CB-CG1 4.42Å; N386-C395 WeakPolarHBondContact CA-O 3.35Å; N386-Q396 WeakPolarHBondContact OD1-CB 3.42Å; N386-Q396 WeakPolarHBondContact OD1-CG 3.49Å; N386-L429 CarbonylContact O-C 3.56Å; N386-L429 WeakPolarHBondContact O-CA 3.42Å; N386-N430 HydrophobicContact CB-CB 4.15Å; N386-N430 PolarHBondContact N-O 3.06Å; N386-N430 PolarHBondContact ND2-OD1 2.75Å; N386-N430 PolarHBondContact O-N 2.93Å
387	I	97.7	Very high	91.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	115.5	165.1	-50.3	-63	0	0	0	106.7	F361 L394 C395 F416 I418 L423 L428 L429 L468	F361-I387 HydrophobicContact CD1-CD1 3.73Å; F361-I387 HydrophobicContact CD1-CG1 4.47Å; F361-I387 HydrophobicContact CE1-CD1 3.56Å; I387-L394 HydrophobicContact CB-CB 4.47Å; I387-L394 HydrophobicContact CG2-CB 4.37Å; I387-L394 HydrophobicContact CG2-CD1 4.3Å; I387-L394 WeakPolarHBondContact O-CB 3.2Å; I387-L394 PolarHBondContact O-N 2.98Å; I387-C395 HydrophobicContact CB-CB 4.49Å; I387-C395 HydrophobicContact CG1-CB 4.4Å; I387-C395 PolarHBondContact N-O 3.28Å; I387-C395 PolarHBondContact O-N 2.89Å; I387-F416 HydrophobicContact CD1-CD1 4.26Å; I387-F416 HydrophobicContact CD1-CD2 4.42Å; I387-F416 HydrophobicContact CD1-CE1 4.06Å; I387-F416 HydrophobicContact CD1-CE2 4.21Å; I387-F416 HydrophobicContact CD1-CG 4.43Å; I387-F416 HydrophobicContact CD1-CZ 4.03Å; I387-F416 HydrophobicContact CG1-CD1 3.63Å; I387-F416 HydrophobicContact CG1-CD2 4.5Å; I387-F416 HydrophobicContact CG1-CE1 3.76Å; I387-F416 HydrophobicContact CG1-CG 4.02Å; I387-F416 HydrophobicContact CG1-CZ 4.24Å; I387-I418 HydrophobicContact CG1-CG2 4.42Å; I387-L423 HydrophobicContact CG2-CD2 4.07Å; I387-L428 WeakPolarHBondContact CA-O 3.48Å; I387-L429 HydrophobicContact CD1-CD1 3.82Å; I387-L468 HydrophobicContact CD1-CD1 3.85Å; I387-L468 HydrophobicContact CG2-CD1 4Å
388	Q	94.2	Very high	93	Very high	27 Å²	27	38.4 Å²	38.4	13%	0.126	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.4	-173.8	-69.4	178.3	-26.2	0	0	111.6	N386 Q392 V393 A427 L428 N430	N386-Q388 HydrophobicContact CB-CG 4.07Å; Q388-Q392 CarbonylContact C-O 3.6Å; Q388-Q392 VanDerWaalsContact CA-O 3.29Å; Q388-Q392 WeakPolarHBondContact CA-O 3.5Å; Q388-V393 HydrophobicContact CG-CG2 4.09Å; Q388-A427 CarbonylContact O-C 3.57Å; Q388-A427 VanDerWaalsContact O-CA 3.29Å; Q388-A427 WeakPolarHBondContact O-CA 3.43Å; Q388-L428 PolarHBondContact N-O 3.16Å; Q388-L428 PolarHBondContact O-N 2.77Å; Q388-N430 HydrophobicContact CG-CB 4.36Å
389	H	93.6	Very high	94	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.019	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	115.2	169.1	-178.5	-95.4	0	0	0	108.6	Q392 L394 P424 K425 W598	H389-Q392 PolarHBondContact N-O 3.37Å; H389-Q392 WeakPolarHBondContact O-CB 3.22Å; H389-Q392 PolarHBondContact O-N 3.28Å; H389-L394 HydrophobicContact CB-CD1 4.01Å; H389-L394 HydrophobicContact CB-CG 4.34Å; H389-P424 HydrophobicContact CB-CG 4.14Å; H389-K425 PolarHBondContact CD2-O 3.48Å; H389-K425 PolarHBondContact NE2-O 3.06Å; H389-W598 AromaticContact CE1-CD2 3.46Å; H389-W598 VanDerWaalsContact CE1-CD2 3.46Å; H389-W598 AromaticContact CE1-CE3 3.62Å; H389-W598 AromaticContact CE1-CG 3.64Å; H389-W598 AromaticContact ND1-CD1 3.76Å; H389-W598 AromaticContact ND1-CD2 3.73Å; H389-W598 AromaticContact ND1-CG 3.37Å
390	G	86.9	Confident	94.4	Very high	3 Å²	3	35.9 Å²	35.9	3%	0.031	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	-136.8	-159.5	0	0	0	0	0	110.2	Q392 C633 S636	G390-Q392 VanDerWaalsContact C-N 3.29Å; G390-C633 CarbonylContact C-O 3.36Å; G390-C633 WeakPolarHBondContact CA-O 3.17Å; G390-S636 WeakPolarHBondContact CA-OG 3.45Å; G390-S636 PolarHBondContact N-OG 3.07Å
391	Q	80.8	Confident	94.6	Very high	67 Å²	67	38.7 Å²	38.7	31%	0.313	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-5.7	171.5	-65.3	-157.7	-16.7	0	0	114.3	V393 C633 N634	Q391-V393 PolarHBondContact O-N 3.21Å; Q391-C633 HydrophobicContact CG-CB 4.29Å; Q391-C633 VanDerWaalsContact CG-SG 3.59Å; Q391-C633 PolarHBondContact N-O 3Å; Q391-C633 PolarHBondContact NE2-SG 3.48Å; Q391-N634 PolarHBondContact OE1-OD1 3.23Å
392	Q	87.6	Confident	94.6	Very high	80 Å²	80	42.1 Å²	42.1	37%	0.374	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.5	-175.1	-171.4	-179.1	9.6	0	0	111.4	Q388 H389 G390 L394	Q388-Q392 CarbonylContact C-O 3.6Å; Q388-Q392 VanDerWaalsContact CA-O 3.29Å; Q388-Q392 WeakPolarHBondContact CA-O 3.5Å; H389-Q392 PolarHBondContact N-O 3.37Å; H389-Q392 WeakPolarHBondContact O-CB 3.22Å; H389-Q392 PolarHBondContact O-N 3.28Å; G390-Q392 VanDerWaalsContact C-N 3.29Å; Q392-L394 HydrophobicContact CG-CD2 4.05Å; Q392-L394 PolarHBondContact O-N 3.32Å
393	V	92.8	Very high	94.4	Very high	67 Å²	67	45.7 Å²	45.7	41%	0.406	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	111.9	166.2	-178.1	0	0	0	0	108.9	N386 Q388 Q391 Q396	N386-V393 HydrophobicContact CB-CG1 4.42Å; Q388-V393 HydrophobicContact CG-CG2 4.09Å; Q391-V393 PolarHBondContact O-N 3.21Å; V393-Q396 HydrophobicContact CG1-CB 4.28Å
394	L	95.3	Very high	94.2	Very high	39 Å²	39	46.5 Å²	46.5	20%	0.204	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-39.1	177.6	-56.3	-177.4	0	0	0	111.6	I387 H389 Q392 I418 P424	I387-L394 HydrophobicContact CB-CB 4.47Å; I387-L394 HydrophobicContact CG2-CB 4.37Å; I387-L394 HydrophobicContact CG2-CD1 4.3Å; I387-L394 WeakPolarHBondContact O-CB 3.2Å; I387-L394 PolarHBondContact O-N 2.98Å; H389-L394 HydrophobicContact CB-CD1 4.01Å; H389-L394 HydrophobicContact CB-CG 4.34Å; Q392-L394 HydrophobicContact CG-CD2 4.05Å; Q392-L394 PolarHBondContact O-N 3.32Å; L394-I418 HydrophobicContact CB-CD1 4.26Å; L394-I418 HydrophobicContact CD1-CD1 4.06Å; L394-P424 HydrophobicContact CD1-CG 4.07Å
395	C	95.3	Very high	93.9	Very high	17 Å²	17	49.3 Å²	49.3	12%	0.115	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	151.8	176.8	-161.9	0	0	0	0	111.4	N386 I387 F416 G417 I418	N386-C395 WeakPolarHBondContact CA-O 3.35Å; I387-C395 HydrophobicContact CB-CB 4.49Å; I387-C395 HydrophobicContact CG1-CB 4.4Å; I387-C395 PolarHBondContact N-O 3.28Å; I387-C395 PolarHBondContact O-N 2.89Å; C395-F416 HydrophobicContact CB-CB 4.27Å; C395-F416 HydrophobicContact CB-CD1 3.96Å; C395-G417 PolarHBondContact SG-N 3.29Å; C395-I418 HydrophobicContact CB-CG2 4.44Å
396	Q	96.9	Very high	93.6	Very high	79 Å²	79	55.3 Å²	55.3	37%	0.369	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	142.7	-176.6	172.5	178.1	5.4	0	0	111.6	E384 A385 N386 V393	E384-Q396 HydrophobicContact CG-CG 4.27Å; E384-Q396 PolarHBondContact OE2-NE2 3.02Å; A385-Q396 WeakPolarHBondContact O-CA 3.41Å; N386-Q396 WeakPolarHBondContact OD1-CB 3.42Å; N386-Q396 WeakPolarHBondContact OD1-CG 3.49Å; V393-Q396 HydrophobicContact CG1-CB 4.28Å
397	R	97.7	Very high	93.5	Very high	100 Å²	100	60.2 Å²	60.2	38%	0.377	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	156.2	174.5	-68.2	-62.7	178.6	-107.9	6.5	111.3	A385 L414 E415 F416	A385-R397 PolarHBondContact N-O 3.48Å; A385-R397 PolarHBondContact O-N 3.36Å; R397-L414 HydrophobicContact CB-CB 4.05Å; R397-L414 HydrophobicContact CB-CD1 4.12Å; R397-L414 HydrophobicContact CB-CD2 4.41Å; R397-L414 HydrophobicContact CB-CG 4.43Å; R397-L414 HydrophobicContact CG-CB 4.46Å; R397-E415 PolarHBondContact NE-O 3.35Å; R397-F416 HydrophobicContact CB-CD1 4.41Å; R397-F416 HydrophobicContact CB-CE1 4Å; R397-F416 HydrophobicContact CB-CZ 4.33Å; R397-F416 HydrophobicContact CG-CD1 3.74Å; R397-F416 HydrophobicContact CG-CE1 3.85Å; R397-F416 HydrophobicContact CG-CG 4.19Å; R397-F416 HydrophobicContact CG-CZ 4.37Å
398	R	97.3	Very high	93.5	Very high	137 Å²	137	60.4 Å²	60.4	52%	0.517	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.6	179.3	-67.8	179.2	176.3	174.3	-1.6	111.1	F382 V383 E384	F382-R398 HydrophobicContact CD2-CB 4.38Å; F382-R398 HydrophobicContact CD2-CG 4.29Å; F382-R398 HydrophobicContact CE2-CG 4.14Å; V383-R398 CarbonylContact O-C 3.46Å; V383-R398 VanDerWaalsContact O-CA 3.3Å; V383-R398 WeakPolarHBondContact O-CA 3.26Å; E384-R398 HydrophobicContact CB-CG 4.17Å; E384-R398 HydrophobicContact CG-CG 4.13Å; E384-R398 IonicContact OE2-CZ 3.53Å; E384-R398 IonicContact OE2-NE 2.68Å; E384-R398 PolarHBondContact OE2-NE 3.36Å; E384-R398 IonicContact OE2-NH2 3.89Å; E384-R398 PolarHBondContact OE2-NH2 2.91Å
399	T	98	Very high	93.7	Very high	12 Å²	12	63.6 Å²	63.6	7%	0.074	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-85.1	168.7	166	66	0	0	0	0	111.3	I365 V383 W410 L414	I365-T399 HydrophobicContact CB-CG2 4.18Å; I365-T399 HydrophobicContact CG1-CG2 4.08Å; I365-T399 HydrophobicContact CG2-CG2 4.26Å; V383-T399 HydrophobicContact CB-CG2 4.04Å; V383-T399 PolarHBondContact N-OG1 3.01Å; V383-T399 PolarHBondContact O-N 3.5Å; T399-W410 HydrophobicContact CG2-CD2 4.38Å; T399-W410 HydrophobicContact CG2-CG 4.08Å; T399-W410 VanDerWaalsContact OG1-CE2 3.31Å; T399-W410 PolarHBondContact OG1-NE1 2.91Å; T399-L414 HydrophobicContact CG2-CD1 4.13Å; T399-L414 HydrophobicContact CG2-CD2 4.27Å
400	S	95.4	Very high	93.9	Very high	68 Å²	68	64.1 Å²	64.1	48%	0.476	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-69.9	141.6	171.8	59.1	0	0	0	0	110.9	W410	S400-W410 PolarHBondContact O-NE1 3.36Å
401	P	95.4	Very high	94.4	Very high	84 Å²	84	68.8 Å²	68.8	55%	0.545	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-58.4	139.9	172.2	-22.8	33.8	0	0	0	112.6	V381 F382	V381-P401 CarbonylContact O-C 3.56Å; V381-P401 WeakPolarHBondContact O-CA 3.27Å; F382-P401 HydrophobicContact CB-CG 4.48Å; F382-P401 HydrophobicContact CD1-CG 4.4Å
402	K	94.6	Very high	95.2	Very high	72 Å²	72	68.6 Å²	68.6	31%	0.313	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.7	175	-72.2	-166.2	173.8	-162.6	0	110.7	T380 V381 V408 L409 W410	T380-K402 CarbonylContact C-O 3.51Å; T380-K402 VanDerWaalsContact CA-O 3.24Å; T380-K402 WeakPolarHBondContact CA-O 3.4Å; V381-K402 PolarHBondContact N-O 3.22Å; V381-K402 PolarHBondContact O-N 3.44Å; K402-V408 HydrophobicContact CB-CG1 3.72Å; K402-V408 HydrophobicContact CD-CG1 3.93Å; K402-V408 HydrophobicContact CG-CG1 4.41Å; K402-L409 WeakPolarHBondContact CE-O 3.49Å; K402-L409 PolarHBondContact NZ-O 2.69Å; K402-W410 HydrophobicContact CB-CZ2 4.19Å; K402-W410 HydrophobicContact CG-CZ2 4.38Å
403	P	92.7	Very high	95.7	Very high	91 Å²	91	68.9 Å²	68.9	59%	0.591	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.9	140	172.6	-23.9	34.4	0	0	0	111.3	T405 V408	P403-T405 PolarHBondContact O-N 3.47Å; P403-V408 WeakPolarHBondContact O-CG2 3.45Å
404	F	92.3	Very high	96	Very high	16 Å²	16	66.2 Å²	66.2	7%	0.07	34%	0.335	C	S	.	.			trans	-83.3	98.6	179.5	-165.6	-171.8	0	0	0	110.7	I370 L373 P374 L379 V381 L461 Y462 M514	I370-F404 HydrophobicContact CG2-CE2 4.05Å; I370-F404 HydrophobicContact CG2-CZ 4.39Å; L373-F404 HydrophobicContact CD2-CD1 4.43Å; L373-F404 HydrophobicContact CD2-CD2 3.81Å; L373-F404 HydrophobicContact CD2-CE2 3.88Å; L373-F404 HydrophobicContact CD2-CG 4.09Å; L373-F404 HydrophobicContact CD2-CZ 4.25Å; P374-F404 HydrophobicContact CG-CD1 4.47Å; P374-F404 HydrophobicContact CG-CE1 3.74Å; P374-F404 HydrophobicContact CG-CZ 4.41Å; L379-F404 HydrophobicContact CB-CB 4.12Å; L379-F404 HydrophobicContact CB-CD1 4.38Å; L379-F404 HydrophobicContact CD1-CD1 4.48Å; L379-F404 WeakPolarHBondContact O-CB 3.49Å; L379-F404 PolarHBondContact O-N 3.35Å; V381-F404 HydrophobicContact CB-CB 4.45Å; V381-F404 HydrophobicContact CB-CG 4.37Å; V381-F404 HydrophobicContact CG1-CB 3.77Å; V381-F404 HydrophobicContact CG1-CD1 3.54Å; V381-F404 HydrophobicContact CG1-CD2 3.9Å; V381-F404 HydrophobicContact CG1-CE1 4.03Å; V381-F404 HydrophobicContact CG1-CE2 4.37Å; V381-F404 HydrophobicContact CG1-CG 3.46Å; V381-F404 VanDerWaalsContact CG1-CG 3.46Å; V381-F404 HydrophobicContact CG1-CZ 4.43Å; V381-F404 HydrophobicContact CG2-CB 3.94Å; V381-F404 HydrophobicContact CG2-CD2 3.85Å; V381-F404 HydrophobicContact CG2-CG 3.99Å; F404-L461 HydrophobicContact CE1-CD1 4.06Å; F404-Y462 HydrophobicContact CZ-CE2 4.21Å; F404-M514 HydrophobicContact CE2-CE 3.66Å; F404-M514 HydrophobicContact CZ-CE 3.81Å
405	T	92.1	Very high	96.1	Very high	69 Å²	69	68.6 Å²	68.6	42%	0.423	35%	0.345	S	S	.	.			trans	-113.6	170.9	176	47.7	0	0	0	0	110.9	P403 E407 V408	P403-T405 PolarHBondContact O-N 3.47Å; T405-E407 PolarHBondContact O-N 3.27Å; T405-E407 PolarHBondContact OG1-O 3.43Å; T405-V408 WeakPolarHBondContact OG1-CG2 3.08Å
406	E	92	Very high	96.3	Very high	125 Å²	125	67.8 Å²	67.8	58%	0.584	34%	0.34	S	S	*	.	S	Bend	trans	-55.9	-39.6	179.3	-67.3	173.5	179.8	0	0	111.4	D369 I370 L373	D369-E406 CarbonylContact C-O 3.56Å; D369-E406 WeakPolarHBondContact CA-O 3.39Å; I370-E406 PolarHBondContact N-O 3.24Å; L373-E406 HydrophobicContact CD1-CG 3.83Å; L373-E406 HydrophobicContact CG-CG 3.98Å
407	E	95.7	Very high	96.2	Very high	107 Å²	107	66.4 Å²	66.4	50%	0.5	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.3	170.4	179.9	-175.7	-156.8	0	0	109.2	I368 T405 L409	I368-E407 WeakPolarHBondContact O-CA 3.46Å; T405-E407 PolarHBondContact O-N 3.27Å; T405-E407 PolarHBondContact OG1-O 3.43Å; E407-L409 HydrophobicContact CG-CD2 4.05Å; E407-L409 HydrophobicContact CG-CG 4.13Å
408	V	96.4	Very high	96.2	Very high	5 Å²	5	62.2 Å²	62.2	3%	0.03	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	113.4	172.5	-174.5	0	0	0	0	109.9	G367 I368 V381 K402 P403 T405 W410	G367-V408 CarbonylContact C-O 3.54Å; G367-V408 WeakPolarHBondContact CA-O 3.48Å; I368-V408 HydrophobicContact CD1-CB 4.11Å; I368-V408 HydrophobicContact CD1-CG2 4.26Å; I368-V408 HydrophobicContact CG1-CB 3.75Å; I368-V408 HydrophobicContact CG1-CG2 4.23Å; I368-V408 PolarHBondContact N-O 3.15Å; I368-V408 PolarHBondContact O-N 3.14Å; V381-V408 HydrophobicContact CG2-CG2 4.32Å; K402-V408 HydrophobicContact CB-CG1 3.72Å; K402-V408 HydrophobicContact CD-CG1 3.93Å; K402-V408 HydrophobicContact CG-CG1 4.41Å; P403-V408 WeakPolarHBondContact O-CG2 3.45Å; T405-V408 WeakPolarHBondContact OG1-CG2 3.08Å; V408-W410 HydrophobicContact CB-CH2 4.14Å; V408-W410 HydrophobicContact CB-CZ3 4.04Å; V408-W410 HydrophobicContact CG1-CD2 4.47Å; V408-W410 HydrophobicContact CG1-CE3 4.17Å; V408-W410 HydrophobicContact CG1-CH2 3.54Å; V408-W410 HydrophobicContact CG1-CZ2 3.86Å; V408-W410 HydrophobicContact CG1-CZ3 3.72Å
409	L	98	Very high	96.3	Very high	94 Å²	94	58.9 Å²	58.9	49%	0.492	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.1	-179.5	-58.9	179.5	0	0	0	111.5	K402 E407	K402-L409 WeakPolarHBondContact CE-O 3.49Å; K402-L409 PolarHBondContact NZ-O 2.69Å; E407-L409 HydrophobicContact CG-CD2 4.05Å; E407-L409 HydrophobicContact CG-CG 4.13Å
410	W	98.1	Very high	96.2	Very high	15 Å²	15	58.4 Å²	58.4	6%	0.057	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-48.5	168.2	-79.2	-85	0	0	0	112	I365 R366 I368 V381 V383 T399 S400 K402 V408 V412	I365-W410 HydrophobicContact CG2-CB 4.42Å; I365-W410 HydrophobicContact CG2-CE3 4.17Å; R366-W410 PolarHBondContact O-N 3.07Å; I368-W410 HydrophobicContact CD1-CH2 3.95Å; I368-W410 HydrophobicContact CD1-CZ3 3.89Å; I368-W410 HydrophobicContact CG1-CH2 4.4Å; I368-W410 HydrophobicContact CG1-CZ3 3.87Å; I368-W410 HydrophobicContact CG2-CZ3 4.07Å; V381-W410 HydrophobicContact CG2-CH2 4.25Å; V383-W410 HydrophobicContact CG2-CE3 4.11Å; V383-W410 HydrophobicContact CG2-CH2 3.93Å; V383-W410 HydrophobicContact CG2-CZ3 3.67Å; T399-W410 HydrophobicContact CG2-CD2 4.38Å; T399-W410 HydrophobicContact CG2-CG 4.08Å; T399-W410 VanDerWaalsContact OG1-CE2 3.31Å; T399-W410 PolarHBondContact OG1-NE1 2.91Å; S400-W410 PolarHBondContact O-NE1 3.36Å; K402-W410 HydrophobicContact CB-CZ2 4.19Å; K402-W410 HydrophobicContact CG-CZ2 4.38Å; V408-W410 HydrophobicContact CB-CH2 4.14Å; V408-W410 HydrophobicContact CB-CZ3 4.04Å; V408-W410 HydrophobicContact CG1-CD2 4.47Å; V408-W410 HydrophobicContact CG1-CE3 4.17Å; V408-W410 HydrophobicContact CG1-CH2 3.54Å; V408-W410 HydrophobicContact CG1-CZ2 3.86Å; V408-W410 HydrophobicContact CG1-CZ3 3.72Å; W410-V412 HydrophobicContact CB-CB 4.46Å; W410-V412 HydrophobicContact CB-CG2 4.4Å; W410-V412 WeakPolarHBondContact O-CG2 3.36Å; W410-V412 PolarHBondContact O-N 3.08Å
411	N	97.6	Very high	96.3	Very high	100 Å²	100	57.3 Å²	57.3	54%	0.535	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.2	36.6	-172.9	-162.2	29.5	0	0	0	113.9	K364 I365 R366	K364-N411 WeakPolarHBondContact CE-OD1 3.47Å; K364-N411 PolarHBondContact NZ-OD1 2.77Å; I365-N411 CarbonylContact O-C 3.46Å; I365-N411 WeakPolarHBondContact O-CA 3.09Å; I365-N411 PolarHBondContact O-N 2.84Å; R366-N411 PolarHBondContact O-N 3.12Å
412	V	98.3	Very high	96.3	Very high	63 Å²	63	54.7 Å²	54.7	38%	0.382	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.3	-174.5	170.2	0	0	0	0	111	K364 I365 W410 L414	K364-V412 CarbonylContact C-O 3.55Å; K364-V412 WeakPolarHBondContact CA-O 3.46Å; I365-V412 PolarHBondContact N-O 2.91Å; I365-V412 PolarHBondContact O-N 2.86Å; I365-V412 VanDerWaalsContact O-N 3.07Å; W410-V412 HydrophobicContact CB-CB 4.46Å; W410-V412 HydrophobicContact CB-CG2 4.4Å; W410-V412 WeakPolarHBondContact O-CG2 3.36Å; W410-V412 PolarHBondContact O-N 3.08Å; V412-L414 HydrophobicContact CG1-CD2 4.21Å
413	W	98.4	Very high	96.5	Very high	86 Å²	86	51.5 Å²	51.5	33%	0.326	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	125.4	167.6	-75.8	99.8	0	0	0	110.8	R362 K364 L519 D521	R362-W413 HydrophobicContact CB-CE3 4.06Å; R362-W413 HydrophobicContact CB-CZ3 4.45Å; R362-W413 HydrophobicContact CG-CE3 3.7Å; R362-W413 HydrophobicContact CG-CZ3 3.74Å; K364-W413 HydrophobicContact CB-CD2 3.75Å; K364-W413 HydrophobicContact CB-CE3 3.81Å; K364-W413 HydrophobicContact CB-CG 4.35Å; K364-W413 HydrophobicContact CB-CH2 4.14Å; K364-W413 HydrophobicContact CB-CZ2 4.08Å; K364-W413 HydrophobicContact CB-CZ3 4Å; K364-W413 HydrophobicContact CD-CD2 4.39Å; K364-W413 HydrophobicContact CD-CZ2 4.16Å; K364-W413 HydrophobicContact CG-CD2 3.95Å; K364-W413 HydrophobicContact CG-CE3 4.49Å; K364-W413 HydrophobicContact CG-CG 4.09Å; K364-W413 HydrophobicContact CG-CZ2 4.45Å; W413-L519 HydrophobicContact CH2-CD2 4.39Å; W413-L519 HydrophobicContact CH2-CG 4.41Å; W413-L519 HydrophobicContact CZ2-CD2 4.21Å; W413-D521 WeakPolarHBondContact CH2-OD1 3.38Å
414	L	98.4	Very high	96.6	Very high	11 Å²	11	47.5 Å²	47.5	6%	0.058	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	107.9	168.8	-59.6	-176.6	0	0	0	108.5	R362 V363 I365 A385 R397 T399 V412 F416	R362-L414 CarbonylContact C-O 3.55Å; R362-L414 WeakPolarHBondContact CA-O 3.3Å; R362-L414 WeakPolarHBondContact CB-O 3.35Å; V363-L414 HydrophobicContact CG1-CB 4.22Å; V363-L414 PolarHBondContact N-O 3.19Å; V363-L414 PolarHBondContact O-N 3.22Å; I365-L414 HydrophobicContact CD1-CD1 4.29Å; I365-L414 HydrophobicContact CG1-CD1 3.63Å; I365-L414 HydrophobicContact CG1-CG 4.07Å; A385-L414 HydrophobicContact CB-CD1 3.96Å; R397-L414 HydrophobicContact CB-CB 4.05Å; R397-L414 HydrophobicContact CB-CD1 4.12Å; R397-L414 HydrophobicContact CB-CD2 4.41Å; R397-L414 HydrophobicContact CB-CG 4.43Å; R397-L414 HydrophobicContact CG-CB 4.46Å; T399-L414 HydrophobicContact CG2-CD1 4.13Å; T399-L414 HydrophobicContact CG2-CD2 4.27Å; V412-L414 HydrophobicContact CG1-CD2 4.21Å; L414-F416 HydrophobicContact CB-CE2 4.5Å
415	E	98.3	Very high	96.7	Very high	89 Å²	89	47.6 Å²	47.6	42%	0.416	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.5	173.9	-174	179.8	-96.9	0	0	110.7	K360 R362 R397	K360-E415 HydrophobicContact CB-CG 3.78Å; K360-E415 HydrophobicContact CD-CG 4.16Å; K360-E415 WeakPolarHBondContact CD-OE2 3.34Å; R362-E415 HydrophobicContact CB-CB 4.11Å; R362-E415 HydrophobicContact CB-CG 4.32Å; R397-E415 PolarHBondContact NE-O 3.35Å
416	F	98	Very high	96.8	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	158.8	-177.2	-65	-95.7	0	0	0	111.8	K360 F361 V363 A385 I387 C395 R397 L414 I418 L429	K360-F416 WeakPolarHBondContact CB-O 3.46Å; K360-F416 WeakPolarHBondContact CD-O 3.37Å; F361-F416 AromaticContact CD1-CD2 3.47Å; F361-F416 HydrophobicContact CD1-CD2 3.47Å; F361-F416 VanDerWaalsContact CD1-CD2 3.47Å; F361-F416 AromaticContact CD1-CE2 3.85Å; F361-F416 HydrophobicContact CD1-CE2 3.85Å; F361-F416 HydrophobicContact CD1-CG 4.2Å; F361-F416 AromaticContact CE1-CD2 3.93Å; F361-F416 HydrophobicContact CE1-CD2 3.93Å; F361-F416 AromaticContact CE1-CE2 3.8Å; F361-F416 HydrophobicContact CE1-CE2 3.8Å; F361-F416 PolarHBondContact O-N 3.1Å; V363-F416 HydrophobicContact CG1-CE2 3.78Å; V363-F416 HydrophobicContact CG1-CZ 4.23Å; A385-F416 HydrophobicContact CB-CE1 4.39Å; A385-F416 HydrophobicContact CB-CZ 3.81Å; A385-F416 WeakPolarHBondContact O-CE1 3.47Å; I387-F416 HydrophobicContact CD1-CD1 4.26Å; I387-F416 HydrophobicContact CD1-CD2 4.42Å; I387-F416 HydrophobicContact CD1-CE1 4.06Å; I387-F416 HydrophobicContact CD1-CE2 4.21Å; I387-F416 HydrophobicContact CD1-CG 4.43Å; I387-F416 HydrophobicContact CD1-CZ 4.03Å; I387-F416 HydrophobicContact CG1-CD1 3.63Å; I387-F416 HydrophobicContact CG1-CD2 4.5Å; I387-F416 HydrophobicContact CG1-CE1 3.76Å; I387-F416 HydrophobicContact CG1-CG 4.02Å; I387-F416 HydrophobicContact CG1-CZ 4.24Å; C395-F416 HydrophobicContact CB-CB 4.27Å; C395-F416 HydrophobicContact CB-CD1 3.96Å; R397-F416 HydrophobicContact CB-CD1 4.41Å; R397-F416 HydrophobicContact CB-CE1 4Å; R397-F416 HydrophobicContact CB-CZ 4.33Å; R397-F416 HydrophobicContact CG-CD1 3.74Å; R397-F416 HydrophobicContact CG-CE1 3.85Å; R397-F416 HydrophobicContact CG-CG 4.19Å; R397-F416 HydrophobicContact CG-CZ 4.37Å; L414-F416 HydrophobicContact CB-CE2 4.5Å; F416-I418 HydrophobicContact CB-CG2 3.96Å; F416-I418 PolarHBondContact O-N 2.82Å; F416-L429 HydrophobicContact CZ-CD1 4.2Å
417	G	96.5	Very high	97.1	Very high	50 Å²	50	38.4 Å²	38.4	52%	0.515	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-3.8	175.1	0	0	0	0	0	114.7	C395	C395-G417 PolarHBondContact SG-N 3.29Å
418	I	97.1	Very high	97.1	Very high	11 Å²	11	34 Å²	34	6%	0.056	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	140.4	-179.4	-167.5	163.9	0	0	0	110.7	K360 F361 I387 L394 C395 F416 D422 L423	K360-I418 WeakPolarHBondContact CA-O 3.49Å; F361-I418 HydrophobicContact CB-CG2 4.23Å; F361-I418 PolarHBondContact N-O 3.26Å; I387-I418 HydrophobicContact CG1-CG2 4.42Å; L394-I418 HydrophobicContact CB-CD1 4.26Å; L394-I418 HydrophobicContact CD1-CD1 4.06Å; C395-I418 HydrophobicContact CB-CG2 4.44Å; F416-I418 HydrophobicContact CB-CG2 3.96Å; F416-I418 PolarHBondContact O-N 2.82Å; I418-D422 HydrophobicContact CD1-CB 4.47Å; I418-D422 HydrophobicContact CG1-CB 3.99Å; I418-L423 HydrophobicContact CD1-CD2 4.11Å; I418-L423 HydrophobicContact CG1-CD2 4.49Å; I418-L423 HydrophobicContact CG2-CD2 4.22Å
419	K	98.1	Very high	97.2	Very high	68 Å²	68	33.7 Å²	33.7	30%	0.296	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	153.2	173.7	-61.6	-179.7	171	-168.8	0	110.5	D358 R359 K421 D422	D358-K419 WeakPolarHBondContact OD1-CD 3.33Å; D358-K419 IonicContact OD1-NZ 2.97Å; D358-K419 PolarHBondContact OD1-NZ 3.17Å; D358-K419 IonicContact OD2-NZ 3.86Å; D358-K419 PolarHBondContact OD2-NZ 3.32Å; R359-K419 CarbonylContact O-C 3.47Å; R359-K419 WeakPolarHBondContact O-CA 3.05Å; K419-K421 VanDerWaalsContact C-N 3.28Å; K419-K421 HydrophobicContact CB-CG 4.01Å; K419-K421 PolarHBondContact O-N 3.13Å; K419-D422 HydrophobicContact CB-CB 4.48Å; K419-D422 WeakPolarHBondContact CB-OD2 3.29Å; K419-D422 PolarHBondContact O-N 3.25Å; K419-D422 VanDerWaalsContact O-N 3.09Å
420	I	97.6	Very high	97.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-57.9	-44.5	177	-67.8	165.3	0	0	0	110.3	L354 C357 R359 F361 D422 L423 L475 Y523	L354-I420 HydrophobicContact CD1-CG2 4.46Å; L354-I420 WeakPolarHBondContact CD2-O 3.37Å; L354-I420 HydrophobicContact CG-CG2 4.16Å; C357-I420 HydrophobicContact CB-CB 3.81Å; C357-I420 HydrophobicContact CB-CD1 4.42Å; C357-I420 HydrophobicContact CB-CG2 3.62Å; R359-I420 HydrophobicContact CB-CD1 4.21Å; R359-I420 WeakPolarHBondContact O-CG1 3.5Å; R359-I420 PolarHBondContact O-N 2.85Å; F361-I420 HydrophobicContact CB-CG1 4.29Å; I420-D422 PolarHBondContact O-N 3.12Å; I420-D422 VanDerWaalsContact O-N 3.09Å; I420-L423 WeakPolarHBondContact O-CB 3.34Å; I420-L423 WeakPolarHBondContact O-CG 3.41Å; I420-L423 PolarHBondContact O-N 3.14Å; I420-L423 VanDerWaalsContact O-N 3.12Å; I420-L475 HydrophobicContact CG2-CD2 3.7Å; I420-Y523 HydrophobicContact CD1-CE1 4.34Å; I420-Y523 WeakPolarHBondContact CD1-OH 3.11Å
421	K	95.9	Very high	97.1	Very high	46 Å²	46	28.6 Å²	28.6	20%	0.2	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-57.9	-23.9	177.9	71.1	-179.2	-164.9	-172.7	0	115.3	L354 C357 D358 K419 Q601	L354-K421 WeakPolarHBondContact O-CA 3.39Å; L354-K421 WeakPolarHBondContact O-CB 3.17Å; C357-K421 WeakPolarHBondContact O-CB 3.41Å; C357-K421 PolarHBondContact O-N 3.47Å; C357-K421 VanDerWaalsContact O-N 3.09Å; D358-K421 VanDerWaalsContact OD1-CE 3.27Å; D358-K421 WeakPolarHBondContact OD1-CE 3.4Å; D358-K421 IonicContact OD1-NZ 3.3Å; D358-K421 PolarHBondContact OD1-NZ 3.29Å; K419-K421 VanDerWaalsContact C-N 3.28Å; K419-K421 HydrophobicContact CB-CG 4.01Å; K419-K421 PolarHBondContact O-N 3.13Å; K421-Q601 WeakPolarHBondContact O-CB 3.5Å
422	D	97	Very high	97	Very high	29 Å²	29	24.9 Å²	24.9	16%	0.155	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-94.2	1.9	-176	-70.8	-48.1	0	0	0	112.9	I418 K419 I420 P424 G599 Q601	I418-D422 HydrophobicContact CD1-CB 4.47Å; I418-D422 HydrophobicContact CG1-CB 3.99Å; K419-D422 HydrophobicContact CB-CB 4.48Å; K419-D422 WeakPolarHBondContact CB-OD2 3.29Å; K419-D422 PolarHBondContact O-N 3.25Å; K419-D422 VanDerWaalsContact O-N 3.09Å; I420-D422 PolarHBondContact O-N 3.12Å; I420-D422 VanDerWaalsContact O-N 3.09Å; D422-P424 VanDerWaalsContact O-CD 3.26Å; D422-P424 WeakPolarHBondContact O-CD 3.26Å; D422-G599 CarbonylContact O-C 3.57Å; D422-Q601 PolarHBondContact OD1-N 3.38Å
423	L	97.4	Very high	96.9	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-72.1	117.1	175.4	-67.9	173.8	0	0	0	110.4	F361 I387 I418 I420 L468 L475	F361-L423 HydrophobicContact CD2-CD1 4Å; F361-L423 HydrophobicContact CG-CD1 4.37Å; I387-L423 HydrophobicContact CG2-CD2 4.07Å; I418-L423 HydrophobicContact CD1-CD2 4.11Å; I418-L423 HydrophobicContact CG1-CD2 4.49Å; I418-L423 HydrophobicContact CG2-CD2 4.22Å; I420-L423 WeakPolarHBondContact O-CB 3.34Å; I420-L423 WeakPolarHBondContact O-CG 3.41Å; I420-L423 PolarHBondContact O-N 3.14Å; I420-L423 VanDerWaalsContact O-N 3.12Å; L423-L468 HydrophobicContact CD1-CD1 4.37Å; L423-L468 HydrophobicContact CD2-CD1 3.85Å; L423-L475 HydrophobicContact CD1-CD1 3.9Å
424	P	95.6	Very high	96.6	Very high	8 Å²	8	19.8 Å²	19.8	5%	0.052	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-76.9	157.8	176.4	31.3	-33.9	0	0	0	111.8	H389 L394 D422 A427 W598	H389-P424 HydrophobicContact CB-CG 4.14Å; L394-P424 HydrophobicContact CD1-CG 4.07Å; D422-P424 VanDerWaalsContact O-CD 3.26Å; D422-P424 WeakPolarHBondContact O-CD 3.26Å; P424-A427 HydrophobicContact CG-CB 4.13Å; P424-A427 WeakPolarHBondContact O-CB 3.25Å; P424-A427 PolarHBondContact O-N 3.16Å; P424-W598 HydrophobicContact CG-CB 4.43Å
425	K	94.6	Very high	96.1	Very high	18 Å²	18	19.6 Å²	19.6	8%	0.078	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	139.6	169.7	-169.2	170.2	-174.8	-106.4	0	109.6	H389 A427 F473 L529 E638 Y672	H389-K425 PolarHBondContact CD2-O 3.48Å; H389-K425 PolarHBondContact NE2-O 3.06Å; K425-A427 VanDerWaalsContact C-N 3.29Å; K425-F473 HydrophobicContact CD-CD1 3.93Å; K425-F473 HydrophobicContact CD-CE1 3.51Å; K425-F473 HydrophobicContact CD-CZ 4.19Å; K425-L529 HydrophobicContact CB-CD2 3.72Å; K425-L529 HydrophobicContact CD-CD2 4.42Å; K425-L529 HydrophobicContact CG-CD2 4.32Å; K425-E638 VanDerWaalsContact NZ-CD 3.27Å; K425-E638 IonicContact NZ-OE1 3.55Å; K425-E638 IonicContact NZ-OE2 2.78Å; K425-E638 PolarHBondContact NZ-OE2 2.94Å; K425-Y672 HydrophobicContact CD-CE2 4.47Å; K425-Y672 HydrophobicContact CG-CE2 3.99Å; K425-Y672 WeakPolarHBondContact CG-OH 3.43Å
426	G	94.7	Very high	95.5	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.01	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	5.4	-174	0	0	0	0	0	114.7	L428 Y672	G426-L428 PolarHBondContact O-N 3.41Å; G426-Y672 PolarHBondContact N-OH 3.24Å
427	A	96.8	Very high	94.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.			trans	-64.7	132.2	171.3	0	0	0	0	0	111.6	Q388 P424 K425 L468	Q388-A427 CarbonylContact O-C 3.57Å; Q388-A427 VanDerWaalsContact O-CA 3.29Å; Q388-A427 WeakPolarHBondContact O-CA 3.43Å; P424-A427 HydrophobicContact CG-CB 4.13Å; P424-A427 WeakPolarHBondContact O-CB 3.25Å; P424-A427 PolarHBondContact O-N 3.16Å; K425-A427 VanDerWaalsContact C-N 3.29Å; A427-L468 HydrophobicContact CB-CD1 4.2Å; A427-L468 PolarHBondContact O-N 3.26Å
428	L	96.5	Very high	92.8	Very high	13 Å²	13	25.9 Å²	25.9	7%	0.068	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.3	179.5	-68.4	168.1	0	0	0	110.4	I387 Q388 G426 N430 N465 L467	I387-L428 WeakPolarHBondContact CA-O 3.48Å; Q388-L428 PolarHBondContact N-O 3.16Å; Q388-L428 PolarHBondContact O-N 2.77Å; G426-L428 PolarHBondContact O-N 3.41Å; L428-N430 PolarHBondContact O-N 2.93Å; L428-N465 HydrophobicContact CD2-CB 4.24Å; L428-L467 HydrophobicContact CD2-CB 4.45Å; L428-L467 HydrophobicContact CD2-CD2 3.53Å; L428-L467 HydrophobicContact CD2-CG 3.72Å; L428-L467 HydrophobicContact CG-CD2 4.28Å
429	L	98	Very high	90.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	100.8	158.2	177.5	63.3	0	0	0	107.9	V363 A385 N386 I387 F416 L431 N465 L466 L468 I518 L520	V363-L429 HydrophobicContact CB-CD2 4.46Å; V363-L429 HydrophobicContact CG2-CD2 4.15Å; A385-L429 HydrophobicContact CB-CD1 4.35Å; N386-L429 CarbonylContact O-C 3.56Å; N386-L429 WeakPolarHBondContact O-CA 3.42Å; I387-L429 HydrophobicContact CD1-CD1 3.82Å; F416-L429 HydrophobicContact CZ-CD1 4.2Å; L429-L431 HydrophobicContact CD1-CD2 4.15Å; L429-L431 HydrophobicContact CD2-CD1 4.39Å; L429-L431 HydrophobicContact CD2-CD2 4.37Å; L429-L431 HydrophobicContact CD2-CG 4.46Å; L429-L431 HydrophobicContact CG-CD2 4.11Å; L429-L431 HydrophobicContact CG-CG 4.11Å; L429-N465 WeakPolarHBondContact O-CA 3.42Å; L429-L466 HydrophobicContact CB-CB 4.48Å; L429-L466 PolarHBondContact N-O 2.54Å; L429-L466 PolarHBondContact O-N 3.44Å; L429-L468 HydrophobicContact CB-CD2 3.77Å; L429-L468 HydrophobicContact CB-CG 4.15Å; L429-I518 HydrophobicContact CD2-CD1 4.12Å; L429-L520 HydrophobicContact CD2-CD2 4.35Å
430	N	96.7	Very high	88.2	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.011	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.8	174.9	166.9	-103.3	0	0	0	109.4	A385 N386 Q388 L428 Q432 N465	A385-N430 CarbonylContact C-O 3.56Å; A385-N430 WeakPolarHBondContact CA-O 3.26Å; N386-N430 HydrophobicContact CB-CB 4.15Å; N386-N430 PolarHBondContact N-O 3.06Å; N386-N430 PolarHBondContact ND2-OD1 2.75Å; N386-N430 PolarHBondContact O-N 2.93Å; Q388-N430 HydrophobicContact CG-CB 4.36Å; L428-N430 PolarHBondContact O-N 2.93Å; N430-Q432 VanDerWaalsContact OD1-CD 3.23Å; N430-Q432 WeakPolarHBondContact OD1-CG 3.39Å; N430-Q432 PolarHBondContact OD1-NE2 3.37Å; N430-N465 WeakPolarHBondContact CA-OD1 3.36Å; N430-N465 WeakPolarHBondContact CB-OD1 3.37Å; N430-N465 PolarHBondContact ND2-OD1 3.03Å
431	L	97.8	Very high	85.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.2	-179.9	-63.5	170.5	0	0	0	109.2	I365 A385 L429 Y463 V464 L482 M484 I516 I518	I365-L431 HydrophobicContact CD1-CD2 4.14Å; A385-L431 HydrophobicContact CB-CD2 3.65Å; L429-L431 HydrophobicContact CD1-CD2 4.15Å; L429-L431 HydrophobicContact CD2-CD1 4.39Å; L429-L431 HydrophobicContact CD2-CD2 4.37Å; L429-L431 HydrophobicContact CD2-CG 4.46Å; L429-L431 HydrophobicContact CG-CD2 4.11Å; L429-L431 HydrophobicContact CG-CG 4.11Å; L431-Y463 CarbonylContact O-C 3.45Å; L431-Y463 VanDerWaalsContact O-CA 3.25Å; L431-Y463 WeakPolarHBondContact O-CA 3.09Å; L431-V464 HydrophobicContact CB-CG1 4.06Å; L431-V464 HydrophobicContact CD1-CG1 4.38Å; L431-V464 PolarHBondContact N-O 3.37Å; L431-V464 PolarHBondContact O-N 3.05Å; L431-L482 HydrophobicContact CD1-CD1 4.21Å; L431-M484 WeakPolarHBondContact O-CE 3.25Å; L431-I516 HydrophobicContact CB-CD1 4.39Å; L431-I516 HydrophobicContact CD1-CD1 4.25Å; L431-I516 HydrophobicContact CD1-CG2 4.23Å; L431-I518 HydrophobicContact CD1-CD1 3.99Å; L431-I518 HydrophobicContact CD1-CG2 3.91Å
432	Q	96.3	Very high	82.6	Confident	21 Å²	21	45.3 Å²	45.3	10%	0.098	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	136.5	-171.3	-75.6	-174.7	8.3	0	0	110.5	V383 E384 N430 Y434 L460 Y462	V383-Q432 CarbonylContact C-O 3.32Å; V383-Q432 WeakPolarHBondContact CA-O 3.49Å; E384-Q432 HydrophobicContact CB-CB 4.28Å; E384-Q432 PolarHBondContact N-O 2.86Å; E384-Q432 PolarHBondContact O-N 2.94Å; N430-Q432 VanDerWaalsContact OD1-CD 3.23Å; N430-Q432 WeakPolarHBondContact OD1-CG 3.39Å; N430-Q432 PolarHBondContact OD1-NE2 3.37Å; Q432-Y434 HydrophobicContact CB-CD2 4.34Å; Q432-Y434 HydrophobicContact CB-CE2 3.93Å; Q432-Y434 PolarHBondContact OE1-OH 3.19Å; Q432-Y434 VanDerWaalsContact OE1-OH 3.08Å; Q432-L460 HydrophobicContact CB-CD1 3.54Å; Q432-L460 HydrophobicContact CG-CD1 3.84Å; Q432-L460 HydrophobicContact CG-CD2 4.48Å; Q432-Y462 WeakPolarHBondContact CA-O 3.48Å
433	I	94.9	Very high	79.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	118.3	174.9	-63.3	169.4	0	0	0	109	I368 V381 V383 L461 Y462 M484 M514	I368-I433 HydrophobicContact CB-CD1 4.24Å; I368-I433 HydrophobicContact CD1-CD1 3.98Å; I368-I433 HydrophobicContact CD1-CG2 4.48Å; I368-I433 HydrophobicContact CG2-CD1 3.74Å; I368-I433 HydrophobicContact CG2-CG1 4.41Å; V381-I433 HydrophobicContact CB-CG2 4.21Å; V381-I433 HydrophobicContact CG1-CG2 4.2Å; V383-I433 HydrophobicContact CG2-CG1 4.41Å; I433-L461 PolarHBondContact O-N 3.41Å; I433-Y462 HydrophobicContact CB-CD2 4.26Å; I433-Y462 HydrophobicContact CD1-CD2 4.38Å; I433-Y462 HydrophobicContact CG2-CD2 4.36Å; I433-Y462 PolarHBondContact N-O 2.86Å; I433-Y462 PolarHBondContact O-N 3.05Å; I433-M484 HydrophobicContact CD1-CE 3.98Å; I433-M484 HydrophobicContact CD1-SD 3.37Å; I433-M484 WeakPolarHBondContact CD1-SD 3.49Å; I433-M484 HydrophobicContact CG1-CE 3.98Å; I433-M484 HydrophobicContact CG1-SD 4.05Å; I433-M514 HydrophobicContact CD1-CE 4.09Å; I433-M514 HydrophobicContact CD1-CG 3.67Å; I433-M514 HydrophobicContact CD1-SD 3.98Å
434	Y	92.6	Very high	76.8	Confident	42 Å²	42	58.7 Å²	58.7	17%	0.165	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	149.9	175.7	-78.7	-92.6	0	0	0	111.1	V381 F382 E384 Q432 A458 Q459 L460	V381-Y434 CarbonylContact C-O 3.56Å; V381-Y434 WeakPolarHBondContact CA-O 3.46Å; V381-Y434 WeakPolarHBondContact CB-O 3.44Å; F382-Y434 VanDerWaalsContact CE1-CB 3.47Å; F382-Y434 HydrophobicContact CE1-CG 4.34Å; F382-Y434 AromaticContact CE2-CD2 3.88Å; F382-Y434 HydrophobicContact CE2-CD2 3.88Å; F382-Y434 AromaticContact CE2-CG 3.96Å; F382-Y434 HydrophobicContact CE2-CG 3.96Å; F382-Y434 HydrophobicContact CZ-CD1 4.38Å; F382-Y434 HydrophobicContact CZ-CD2 4.09Å; F382-Y434 AromaticContact CZ-CG 3.69Å; F382-Y434 HydrophobicContact CZ-CG 3.69Å; F382-Y434 PolarHBondContact N-O 3.34Å; F382-Y434 PolarHBondContact O-N 3.08Å; E384-Y434 HydrophobicContact CB-CD2 3.91Å; E384-Y434 HydrophobicContact CB-CE2 3.85Å; E384-Y434 HydrophobicContact CG-CE2 4.42Å; Q432-Y434 HydrophobicContact CB-CD2 4.34Å; Q432-Y434 HydrophobicContact CB-CE2 3.93Å; Q432-Y434 PolarHBondContact OE1-OH 3.19Å; Q432-Y434 VanDerWaalsContact OE1-OH 3.08Å; Y434-A458 HydrophobicContact CD1-CB 4.06Å; Y434-Q459 CarbonylContact C-O 3.56Å; Y434-Q459 VanDerWaalsContact CA-O 3.29Å; Y434-Q459 WeakPolarHBondContact CA-O 3.47Å; Y434-L460 HydrophobicContact CD1-CB 4.08Å; Y434-L460 HydrophobicContact CD2-CD1 4.03Å; Y434-L460 HydrophobicContact CE1-CB 3.66Å; Y434-L460 HydrophobicContact CE1-CD1 4.29Å; Y434-L460 HydrophobicContact CE1-CG 4.49Å; Y434-L460 HydrophobicContact CE2-CD1 3.74Å; Y434-L460 HydrophobicContact CG-CD1 4.43Å
435	C	88.9	Confident	74.1	Confident	8 Å²	8	63.7 Å²	63.7	5%	0.054	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.3	177.8	174.5	0	0	0	0	111.3	T380 V381 A458 Q459 L461	T380-C435 CarbonylContact O-C 3.58Å; T380-C435 VanDerWaalsContact O-CA 3.29Å; T380-C435 WeakPolarHBondContact O-CA 3.5Å; V381-C435 HydrophobicContact CG1-CB 4.15Å; C435-A458 WeakPolarHBondContact O-CA 3.33Å; C435-Q459 PolarHBondContact N-O 3.44Å; C435-Q459 PolarHBondContact O-N 3.09Å; C435-L461 HydrophobicContact CB-CD1 3.45Å; C435-L461 VanDerWaalsContact CB-CD1 3.45Å; C435-L461 HydrophobicContact CB-CG 3.84Å
436	C	85.1	Confident	71.1	Confident	29 Å²	29	68.1 Å²	68.1	20%	0.196	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.8	176.6	-62.9	0	0	0	0	110.4	T380 A458	T380-C436 PolarHBondContact N-O 3.25Å; T380-C436 PolarHBondContact O-N 3.19Å; T380-C436 WeakPolarHBondContact OG1-CB 3.48Å; T380-C436 PolarHBondContact OG1-O 2.8Å; C436-A458 WeakPolarHBondContact SG-CB 3.4Å
437	K	77	Confident	68.6	Low	174 Å²	174	73.1 Å²	73.1	76%	0.757	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	135.8	168.3	-70.3	-174.6	179.1	-178.7	0	110.1
438	T	61.2	Low	65.3	Low	68 Å²	68	82 Å²	82	42%	0.417	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-61.4	129.7	176.7	-39	0	0	0	0	110.1	D378 T380 T440	D378-T438 PolarHBondContact O-N 3.1Å; D378-T438 PolarHBondContact O-OG1 2.73Å; T380-T438 HydrophobicContact CG2-CG2 4.39Å; T438-T440 PolarHBondContact O-N 2.97Å
439	P	54.2	Low	62.1	Low	115 Å²	115	89.7 Å²	89.7	75%	0.747	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-63.1	118.7	174.1	-15.7	27.5	0	0	0	109.5	L441	P439-L441 PolarHBondContact O-N 3.44Å
440	T	44	Very low	59	Low	131 Å²	131	96 Å²	96	80%	0.804	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-67.9	118.3	169.8	46.5	0	0	0	0	108.7	T438 S442	T438-T440 PolarHBondContact O-N 2.97Å; T440-S442 PolarHBondContact O-N 3.43Å
441	L	41.2	Very low	55.9	Low	181 Å²	181	99.4 Å²	99.4	95%	0.948	60%	0.598	S	S	*	*			trans	-62.4	93.4	167.6	-79.2	152.1	0	0	0	108.9	P439 S443	P439-L441 PolarHBondContact O-N 3.44Å; L441-S443 PolarHBondContact O-N 2.98Å
442	S	35.3	Very low	52.5	Low	108 Å²	108	104.6 Å²	104.6	76%	0.755	63%	0.634	S	S	*	*			trans	-76.4	113.6	165.1	54.8	0	0	0	0	108.6	T440 K444	T440-S442 PolarHBondContact O-N 3.43Å; S442-K444 PolarHBondContact O-N 3.2Å
443	S	36.5	Very low	49.4	Very low	118 Å²	118	112.2 Å²	112.2	83%	0.825	67%	0.67	S	S	*	*			trans	-68.4	93.3	168.1	52.1	0	0	0	0	109.5	L441	L441-S443 PolarHBondContact O-N 2.98Å
444	K	35.1	Very low	46.4	Very low	196 Å²	196	117.8 Å²	117.8	85%	0.852	71%	0.708	S	S	*	*			trans	-165.4	102.7	148.4	-106.4	166.5	-170.7	-175.3	0	108.8	S442 S446	S442-K444 PolarHBondContact O-N 3.2Å; K444-S446 PolarHBondContact O-N 3.15Å
445	A	38.7	Very low	43.8	Very low	112 Å²	112	124.9 Å²	124.9	93%	0.926	74%	0.74	S	S	*	*			trans	-66.8	119.5	168.7	0	0	0	0	0	109.5
446	S	32	Very low	41.8	Very low	112 Å²	112	127.5 Å²	127.5	78%	0.783	77%	0.769	S	S	*	*			trans	-137.9	119.2	150.9	51.1	0	0	0	0	107.1	K444 E448	K444-S446 PolarHBondContact O-N 3.15Å; S446-E448 PolarHBondContact O-N 3.31Å
447	A	41	Very low	40.8	Very low	106 Å²	106	134.8 Å²	134.8	88%	0.876	80%	0.797	S	S	*	*			trans	-69.6	112.5	-172	0	0	0	0	0	111.7
448	E	29.5	Very low	41	Very low	187 Å²	187	128.5 Å²	128.5	87%	0.874	78%	0.778	S	S	*	*			trans	-142.2	122.7	159.2	-73.1	-169.2	163.3	0	0	110.9	S446	S446-E448 PolarHBondContact O-N 3.31Å
449	M	28.6	Very low	42.1	Very low	173 Å²	173	129.3 Å²	129.3	85%	0.852	78%	0.777	S	S	*	*			trans	33.8	129.1	156.1	-60.4	-64.9	-79.1	0	0	121.7	G451	M449-G451 PolarHBondContact O-N 2.74Å
450	P	32.8	Very low	43.7	Very low	134 Å²	134	125.2 Å²	125.2	87%	0.87	75%	0.748	S	S	*	*	S	Bend	trans	-80.8	103.8	174.9	32.7	-29.2	0	0	0	110.5
451	G	31.8	Very low	45.9	Very low	73 Å²	73	120.3 Å²	120.3	75%	0.753	72%	0.717	S	S	*	*			trans	169.5	59.2	176.3	0	0	0	0	0	114.6	M449	M449-G451 PolarHBondContact O-N 2.74Å
452	S	25.3	Very low	48.3	Very low	109 Å²	109	112.4 Å²	112.4	76%	0.762	68%	0.675	S	S	*	*			trans	-178.2	92.9	160.9	164.5	0	0	0	0	108.9	S454	S452-S454 PolarHBondContact O-N 2.93Å
453	E	32.3	Very low	51.2	Low	181 Å²	181	107.8 Å²	107.8	85%	0.846	64%	0.641	S	S	*	*			trans	-60.6	116.2	166.5	-74	-177.1	161.5	0	0	109.4	K455	E453-K455 VanDerWaalsContact C-N 3.34Å; E453-K455 PolarHBondContact O-N 2.88Å
454	S	31.3	Very low	54	Low	116 Å²	116	102.2 Å²	102.2	81%	0.811	60%	0.602	S	S	*	*			trans	-67.1	91.6	169.9	50.3	0	0	0	0	109.5	S452 G456	S452-S454 PolarHBondContact O-N 2.93Å; S454-G456 PolarHBondContact O-N 3.19Å
455	K	38.1	Very low	56.9	Low	191 Å²	191	92.9 Å²	92.9	83%	0.83	56%	0.561	S	S	*	*			trans	-62.5	93	173.5	-76.6	-179.6	176.9	175.7	0	110.7	E453 K457	E453-K455 VanDerWaalsContact C-N 3.34Å; E453-K455 PolarHBondContact O-N 2.88Å; K455-K457 PolarHBondContact O-N 3.44Å
456	G	46.8	Very low	59.7	Low	64 Å²	64	87.5 Å²	87.5	66%	0.66	52%	0.517	S	S	*	.			trans	-60.8	122.8	153.8	0	0	0	0	0	108.5	S454 A458	S454-G456 PolarHBondContact O-N 3.19Å; G456-A458 PolarHBondContact O-N 2.87Å; G456-A458 VanDerWaalsContact O-N 3.13Å
457	K	65.2	Low	62.9	Low	181 Å²	181	82.2 Å²	82.2	79%	0.787	48%	0.48	S	S	*	.			trans	-61.1	115.2	177.4	-85.2	-176.1	173.4	-175.9	0	109.2	K455	K455-K457 PolarHBondContact O-N 3.44Å
458	A	79.5	Confident	65.5	Low	43 Å²	43	77.3 Å²	77.3	36%	0.355	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-75.5	131.2	171.8	0	0	0	0	0	109.7	F382 Y434 C435 C436 G456	F382-A458 HydrophobicContact CE1-CB 4.18Å; F382-A458 HydrophobicContact CZ-CB 4.28Å; Y434-A458 HydrophobicContact CD1-CB 4.06Å; C435-A458 WeakPolarHBondContact O-CA 3.33Å; C436-A458 WeakPolarHBondContact SG-CB 3.4Å; G456-A458 PolarHBondContact O-N 2.87Å; G456-A458 VanDerWaalsContact O-N 3.13Å
459	Q	86	Confident	68.7	Low	85 Å²	85	68.4 Å²	68.4	40%	0.397	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.7	-178.5	179.9	170.9	19.9	0	0	110.6	Y434 C435 L461 E492	Y434-Q459 CarbonylContact C-O 3.56Å; Y434-Q459 VanDerWaalsContact CA-O 3.29Å; Y434-Q459 WeakPolarHBondContact CA-O 3.47Å; C435-Q459 PolarHBondContact N-O 3.44Å; C435-Q459 PolarHBondContact O-N 3.09Å; Q459-L461 HydrophobicContact CG-CD2 4.13Å; Q459-E492 WeakPolarHBondContact CB-OE1 3.29Å; Q459-E492 HydrophobicContact CG-CG 4.43Å; Q459-E492 WeakPolarHBondContact CG-OE1 3.25Å
460	L	87.8	Confident	71.8	Confident	28 Å²	28	61.2 Å²	61.2	15%	0.147	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.2	173.1	-178.6	61.3	0	0	0	110.1	Q432 Y434 I487	Q432-L460 HydrophobicContact CB-CD1 3.54Å; Q432-L460 HydrophobicContact CG-CD1 3.84Å; Q432-L460 HydrophobicContact CG-CD2 4.48Å; Y434-L460 HydrophobicContact CD1-CB 4.08Å; Y434-L460 HydrophobicContact CD2-CD1 4.03Å; Y434-L460 HydrophobicContact CE1-CB 3.66Å; Y434-L460 HydrophobicContact CE1-CD1 4.29Å; Y434-L460 HydrophobicContact CE1-CG 4.49Å; Y434-L460 HydrophobicContact CE2-CD1 3.74Å; Y434-L460 HydrophobicContact CG-CD1 4.43Å; L460-I487 HydrophobicContact CB-CD1 3.97Å; L460-I487 HydrophobicContact CD2-CD1 3.33Å; L460-I487 HydrophobicContact CG-CD1 3.35Å; L460-I487 HydrophobicContact CG-CG1 4.46Å
461	L	88.4	Confident	74.6	Confident	29 Å²	29	55.5 Å²	55.5	15%	0.152	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-44.3	-178.3	-65.6	-175.1	0	0	0	113.5	F404 I433 C435 Q459 I487	F404-L461 HydrophobicContact CE1-CD1 4.06Å; I433-L461 PolarHBondContact O-N 3.41Å; C435-L461 HydrophobicContact CB-CD1 3.45Å; C435-L461 VanDerWaalsContact CB-CD1 3.45Å; C435-L461 HydrophobicContact CB-CG 3.84Å; Q459-L461 HydrophobicContact CG-CD2 4.13Å; L461-I487 PolarHBondContact O-N 2.71Å
462	Y	93	Very high	77.4	Confident	15 Å²	15	52.5 Å²	52.5	6%	0.059	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.1	-173.7	-54.7	-82.5	0	0	0	111.2	I370 F404 Q432 I433 W485 Q486 M514	I370-Y462 HydrophobicContact CD1-CE1 4.49Å; I370-Y462 HydrophobicContact CD1-CE2 4.42Å; I370-Y462 VanDerWaalsContact CD1-OH 3.26Å; I370-Y462 WeakPolarHBondContact CD1-OH 3.45Å; F404-Y462 HydrophobicContact CZ-CE2 4.21Å; Q432-Y462 WeakPolarHBondContact CA-O 3.48Å; I433-Y462 HydrophobicContact CB-CD2 4.26Å; I433-Y462 HydrophobicContact CD1-CD2 4.38Å; I433-Y462 HydrophobicContact CG2-CD2 4.36Å; I433-Y462 PolarHBondContact N-O 2.86Å; I433-Y462 PolarHBondContact O-N 3.05Å; Y462-W485 CarbonylContact C-O 3.52Å; Y462-W485 WeakPolarHBondContact CA-O 3.43Å; Y462-Q486 HydrophobicContact CD1-CB 3.97Å; Y462-Q486 HydrophobicContact CD1-CG 4.16Å; Y462-Q486 HydrophobicContact CE1-CB 3.86Å; Y462-Q486 HydrophobicContact CE1-CG 3.72Å; Y462-M514 HydrophobicContact CD1-CB 3.82Å; Y462-M514 HydrophobicContact CD1-CG 4.42Å; Y462-M514 HydrophobicContact CD2-CB 4.37Å; Y462-M514 HydrophobicContact CD2-CE 4.3Å; Y462-M514 HydrophobicContact CD2-CG 4.26Å; Y462-M514 HydrophobicContact CE1-CB 3.99Å; Y462-M514 HydrophobicContact CE2-CE 4.16Å; Y462-M514 HydrophobicContact CG-CB 4.04Å; Y462-M514 HydrophobicContact CG-CG 4.13Å
463	Y	94.9	Very high	80.6	Confident	11 Å²	11	48.9 Å²	48.9	4%	0.043	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	153.2	174.9	72.1	-84.7	0	0	0	112.3	L431 W485 I487 D500 K501 H708	L431-Y463 CarbonylContact O-C 3.45Å; L431-Y463 VanDerWaalsContact O-CA 3.25Å; L431-Y463 WeakPolarHBondContact O-CA 3.09Å; Y463-W485 HydrophobicContact CD1-CB 4.08Å; Y463-W485 HydrophobicContact CD2-CB 4.42Å; Y463-W485 HydrophobicContact CE1-CB 3.57Å; Y463-W485 HydrophobicContact CE2-CB 3.93Å; Y463-W485 AromaticContact CE2-CD1 3.82Å; Y463-W485 HydrophobicContact CE2-CG 4.12Å; Y463-W485 HydrophobicContact CG-CB 4.48Å; Y463-W485 VanDerWaalsContact CZ-CB 3.49Å; Y463-W485 PolarHBondContact N-O 3.14Å; Y463-W485 PolarHBondContact O-N 2.66Å; Y463-I487 HydrophobicContact CD1-CD1 4.39Å; Y463-I487 HydrophobicContact CD1-CG1 3.93Å; Y463-I487 HydrophobicContact CE1-CG1 4.24Å; Y463-D500 WeakPolarHBondContact CE2-O 3.25Å; Y463-D500 PolarHBondContact OH-O 3.31Å; Y463-K501 HydrophobicContact CE1-CG 4.36Å; Y463-K501 HydrophobicContact CE2-CB 4.35Å; Y463-K501 HydrophobicContact CE2-CG 4.33Å; Y463-H708 PolarHBondContact OH-NE2 3.46Å
464	V	97	Very high	83.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	151.9	167.3	71	0	0	0	0	109.2	L431 L482 M484 T506 I516	L431-V464 HydrophobicContact CB-CG1 4.06Å; L431-V464 HydrophobicContact CD1-CG1 4.38Å; L431-V464 PolarHBondContact N-O 3.37Å; L431-V464 PolarHBondContact O-N 3.05Å; V464-L482 HydrophobicContact CG1-CB 3.92Å; V464-L482 HydrophobicContact CG1-CD1 4.14Å; V464-L482 HydrophobicContact CG2-CB 4.1Å; V464-M484 HydrophobicContact CB-CB 4.34Å; V464-M484 HydrophobicContact CB-CE 4.44Å; V464-M484 HydrophobicContact CB-CG 4.02Å; V464-M484 HydrophobicContact CG1-CE 4.04Å; V464-M484 HydrophobicContact CG1-CG 3.92Å; V464-T506 HydrophobicContact CG2-CG2 4.3Å; V464-I516 HydrophobicContact CG1-CG2 3.81Å
465	N	95.9	Very high	86.6	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.7	177.9	-49.1	-61.1	0	0	0	111.1	L428 L429 N430 K501 T503	L428-N465 HydrophobicContact CD2-CB 4.24Å; L429-N465 WeakPolarHBondContact O-CA 3.42Å; N430-N465 WeakPolarHBondContact CA-OD1 3.36Å; N430-N465 WeakPolarHBondContact CB-OD1 3.37Å; N430-N465 PolarHBondContact ND2-OD1 3.03Å; N465-K501 PolarHBondContact ND2-O 3.44Å; N465-T503 WeakPolarHBondContact CB-O 3.24Å; N465-T503 PolarHBondContact ND2-O 2.9Å
466	L	97.5	Very high	89.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126.4	172.9	-178.4	67	0	0	0	109.3	H169 L429 L468 Y480 L482 I518 L520	H169-L466 WeakPolarHBondContact NE2-CD1 3.5Å; L429-L466 HydrophobicContact CB-CB 4.48Å; L429-L466 PolarHBondContact N-O 2.54Å; L429-L466 PolarHBondContact O-N 3.44Å; L466-L468 PolarHBondContact O-N 2.74Å; L466-Y480 HydrophobicContact CD1-CD1 4.31Å; L466-Y480 HydrophobicContact CD1-CE1 4.24Å; L466-Y480 HydrophobicContact CD2-CD1 4.24Å; L466-Y480 HydrophobicContact CD2-CD2 4.26Å; L466-Y480 HydrophobicContact CD2-CE1 4.36Å; L466-Y480 HydrophobicContact CD2-CE2 4.41Å; L466-Y480 HydrophobicContact CD2-CG 4.21Å; L466-L482 HydrophobicContact CB-CD1 4.2Å; L466-L482 HydrophobicContact CD2-CD1 4.45Å; L466-I518 HydrophobicContact CD2-CD1 4.14Å; L466-L520 HydrophobicContact CD2-CD1 4.08Å
467	L	97.2	Very high	91.6	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	125.9	170.8	-78.4	163.7	0	0	0	109.9	L428 R476 P671 Y672	L428-L467 HydrophobicContact CD2-CB 4.45Å; L428-L467 HydrophobicContact CD2-CD2 3.53Å; L428-L467 HydrophobicContact CD2-CG 3.72Å; L428-L467 HydrophobicContact CG-CD2 4.28Å; L467-R476 WeakPolarHBondContact O-CD 3.22Å; L467-R476 WeakPolarHBondContact O-CG 3.41Å; L467-R476 PolarHBondContact O-NE 3.49Å; L467-P671 HydrophobicContact CD2-CB 4.15Å; L467-Y672 HydrophobicContact CD1-CD1 3.88Å; L467-Y672 HydrophobicContact CD1-CE1 3.76Å; L467-Y672 HydrophobicContact CD2-CE1 4.4Å
468	L	97.5	Very high	93.1	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	11%	0.109	C	C	.	.	S	Bend	trans	-74.1	-32.7	178.9	-70.2	175.4	0	0	0	112.4	F361 I387 L423 A427 L429 L466 R476	F361-L468 HydrophobicContact CE1-CD2 4.18Å; F361-L468 HydrophobicContact CE2-CD2 3.86Å; F361-L468 HydrophobicContact CZ-CD1 4.48Å; F361-L468 HydrophobicContact CZ-CD2 3.44Å; F361-L468 VanDerWaalsContact CZ-CD2 3.44Å; I387-L468 HydrophobicContact CD1-CD1 3.85Å; I387-L468 HydrophobicContact CG2-CD1 4Å; L423-L468 HydrophobicContact CD1-CD1 4.37Å; L423-L468 HydrophobicContact CD2-CD1 3.85Å; A427-L468 HydrophobicContact CB-CD1 4.2Å; A427-L468 PolarHBondContact O-N 3.26Å; L429-L468 HydrophobicContact CB-CD2 3.77Å; L429-L468 HydrophobicContact CB-CG 4.15Å; L466-L468 PolarHBondContact O-N 2.74Å; L468-R476 PolarHBondContact O-N 2.98Å
469	I	96.1	Very high	93.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-114.5	121.5	175.3	-58.3	178.3	0	0	0	107.3	L354 L474 L529 Y672	L354-I469 HydrophobicContact CD1-CD1 4.11Å; I469-L474 CarbonylContact C-O 3.57Å; I469-L474 WeakPolarHBondContact CA-O 3.47Å; I469-L529 HydrophobicContact CD1-CB 4.29Å; I469-L529 HydrophobicContact CD1-CD2 3.98Å; I469-L529 HydrophobicContact CG2-CB 4.4Å; I469-Y672 WeakPolarHBondContact O-CE1 3.42Å; I469-Y672 PolarHBondContact O-OH 3.16Å
470	D	94.1	Very high	94.5	Very high	22 Å²	22	21 Å²	21	12%	0.118	10%	0.104	C	C	.	.			trans	-75.9	179.4	-177.7	75.4	7.7	0	0	0	112.8	R472 F473 L474	D470-R472 PolarHBondContact O-N 3.41Å; D470-R472 VanDerWaalsContact O-N 3.16Å; D470-R472 VanDerWaalsContact OD1-C 3.31Å; D470-R472 VanDerWaalsContact OD1-CA 3.3Å; D470-R472 WeakPolarHBondContact OD1-CA 3.39Å; D470-R472 WeakPolarHBondContact OD1-CB 3.41Å; D470-R472 PolarHBondContact OD1-N 3.24Å; D470-F473 PolarHBondContact O-N 2.88Å; D470-F473 VanDerWaalsContact O-N 3.09Å; D470-F473 PolarHBondContact OD1-N 3.45Å; D470-L474 PolarHBondContact N-O 2.91Å; D470-L474 PolarHBondContact OD1-N 3.16Å
471	H	91.9	Very high	94.9	Very high	15 Å²	15	23.9 Å²	23.9	7%	0.069	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.2	179.3	57.6	-75.5	0	0	0	114.3	D171 E172 F175 Y672	D171-H471 IonicContact OD1-CE1 2.83Å; D171-H471 PolarHBondContact OD1-CE1 3.1Å; D171-H471 IonicContact OD1-NE2 2.83Å; D171-H471 PolarHBondContact OD1-NE2 3.06Å; E172-H471 VanDerWaalsContact CA-CE1 3.5Å; E172-H471 WeakPolarHBondContact CA-CE1 3.35Å; E172-H471 HydrophobicContact CG-CB 3.86Å; F175-H471 AromaticContact CD1-CD2 3.34Å; F175-H471 WeakPolarHBondContact CD1-CD2 3.36Å; F175-H471 AromaticContact CD2-CD2 3.72Å; F175-H471 AromaticContact CD2-NE2 3.93Å; F175-H471 HydrophobicContact CE1-CB 4.46Å; F175-H471 AromaticContact CE1-CD2 3.64Å; F175-H471 AromaticContact CG-CD2 3.36Å; F175-H471 WeakPolarHBondContact CG-CD2 3.26Å; F175-H471 AromaticContact CG-NE2 3.66Å; F175-H471 AromaticContact CZ-CD2 3.97Å; H471-Y672 HydrophobicContact CB-CD1 4.11Å
472	R	90.1	Very high	95.4	Very high	10 Å²	10	22.6 Å²	22.6	4%	0.038	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	14	175.8	-59.9	-175.4	175.7	82.7	7	112.9	D111 D171 G331 T333 D470 L474	D111-R472 VanDerWaalsContact CG-NE 3.34Å; D111-R472 WeakPolarHBondContact OD1-CD 3.37Å; D111-R472 IonicContact OD1-CZ 3.54Å; D111-R472 IonicContact OD1-NE 3.3Å; D111-R472 PolarHBondContact OD1-NE 3.12Å; D111-R472 IonicContact OD1-NH2 2.95Å; D111-R472 WeakPolarHBondContact OD2-CD 3.48Å; D111-R472 IonicContact OD2-NE 3.36Å; D111-R472 PolarHBondContact OD2-NE 2.95Å; D171-R472 IonicContact OD1-CZ 2.67Å; D171-R472 VanDerWaalsContact OD1-CZ 3.27Å; D171-R472 IonicContact OD1-NH1 3.26Å; D171-R472 PolarHBondContact OD1-NH1 2.88Å; D171-R472 IonicContact OD1-NH2 3.85Å; D171-R472 PolarHBondContact OD1-NH2 3.15Å; D171-R472 IonicContact OD2-CZ 3.45Å; D171-R472 IonicContact OD2-NH1 3.18Å; D171-R472 IonicContact OD2-NH2 3.54Å; D171-R472 PolarHBondContact OD2-NH2 3.48Å; G331-R472 CarbonylContact O-C 3.55Å; T333-R472 VanDerWaalsContact CG2-O 3.23Å; T333-R472 WeakPolarHBondContact CG2-O 3.27Å; D470-R472 PolarHBondContact O-N 3.41Å; D470-R472 VanDerWaalsContact O-N 3.16Å; D470-R472 VanDerWaalsContact OD1-C 3.31Å; D470-R472 VanDerWaalsContact OD1-CA 3.3Å; D470-R472 WeakPolarHBondContact OD1-CA 3.39Å; D470-R472 WeakPolarHBondContact OD1-CB 3.41Å; D470-R472 PolarHBondContact OD1-N 3.24Å; R472-L474 HydrophobicContact CB-CD1 4.27Å; R472-L474 HydrophobicContact CB-CG 4.13Å; R472-L474 PolarHBondContact O-N 3Å
473	F	92	Very high	95.6	Very high	33 Å²	33	23.3 Å²	23.3	15%	0.145	12%	0.12	C	C	.	.	S	Bend	trans	63.7	20.8	-177.5	-56.8	-104.5	0	0	0	112.8	G331 T333 K425 D470 A528 L529	G331-F473 WeakPolarHBondContact O-CD2 3.31Å; T333-F473 HydrophobicContact CG2-CB 4.31Å; K425-F473 HydrophobicContact CD-CD1 3.93Å; K425-F473 HydrophobicContact CD-CE1 3.51Å; K425-F473 HydrophobicContact CD-CZ 4.19Å; D470-F473 PolarHBondContact O-N 2.88Å; D470-F473 VanDerWaalsContact O-N 3.09Å; D470-F473 PolarHBondContact OD1-N 3.45Å; F473-A528 CarbonylContact O-C 3.5Å; F473-A528 WeakPolarHBondContact O-CA 3.39Å; F473-L529 HydrophobicContact CB-CB 4.22Å; F473-L529 HydrophobicContact CD1-CD2 4.23Å; F473-L529 PolarHBondContact O-N 3.04Å
474	L	92.9	Very high	95.7	Very high	22 Å²	22	22.8 Å²	22.8	12%	0.115	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-95.4	140	177.1	-58.3	176.6	0	0	0	110.7	Y113 T333 I469 D470 R472 R476 P526 I527 A528	Y113-L474 HydrophobicContact CG-CD1 4.45Å; T333-L474 HydrophobicContact CG2-CD2 3.97Å; I469-L474 CarbonylContact C-O 3.57Å; I469-L474 WeakPolarHBondContact CA-O 3.47Å; D470-L474 PolarHBondContact N-O 2.91Å; D470-L474 PolarHBondContact OD1-N 3.16Å; R472-L474 HydrophobicContact CB-CD1 4.27Å; R472-L474 HydrophobicContact CB-CG 4.13Å; R472-L474 PolarHBondContact O-N 3Å; L474-R476 PolarHBondContact O-N 3.39Å; L474-P526 HydrophobicContact CD2-CB 4.32Å; L474-I527 CarbonylContact C-O 3.07Å; L474-I527 WeakPolarHBondContact CA-O 3.24Å; L474-A528 HydrophobicContact CD2-CB 3.92Å
475	L	96.1	Very high	95.5	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.026	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-71.2	125.6	172.1	-176.5	69.1	0	0	0	109.3	L354 I420 L423 Y523 I527	L354-L475 HydrophobicContact CD1-CB 4.35Å; L354-L475 HydrophobicContact CD1-CD1 4.32Å; I420-L475 HydrophobicContact CG2-CD2 3.7Å; L423-L475 HydrophobicContact CD1-CD1 3.9Å; L475-Y523 HydrophobicContact CD2-CE2 3.75Å; L475-I527 HydrophobicContact CB-CB 4.02Å; L475-I527 HydrophobicContact CB-CG2 4.12Å; L475-I527 HydrophobicContact CD2-CB 4.3Å; L475-I527 HydrophobicContact CD2-CD1 4.11Å; L475-I527 HydrophobicContact CD2-CG2 4.19Å; L475-I527 PolarHBondContact N-O 3.38Å
476	R	96.1	Very high	95.3	Very high	17 Å²	17	29.8 Å²	29.8	6%	0.064	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-63.9	140.5	176	-71.1	-157.9	-167.1	-116.5	5.5	111.6	H169 D170 L467 L468 L474 L520	H169-R476 PolarHBondContact CD2-NH1 3.22Å; H169-R476 PolarHBondContact NE2-NH1 3.07Å; H169-R476 PolarHBondContact NE2-NH2 3.46Å; D170-R476 IonicContact OD2-CZ 3.25Å; D170-R476 VanDerWaalsContact OD2-CZ 3.24Å; D170-R476 IonicContact OD2-NH1 3.97Å; D170-R476 PolarHBondContact OD2-NH1 3.29Å; D170-R476 IonicContact OD2-NH2 3.07Å; D170-R476 PolarHBondContact OD2-NH2 3.41Å; L467-R476 WeakPolarHBondContact O-CD 3.22Å; L467-R476 WeakPolarHBondContact O-CG 3.41Å; L467-R476 PolarHBondContact O-NE 3.49Å; L468-R476 PolarHBondContact O-N 2.98Å; L474-R476 PolarHBondContact O-N 3.39Å; R476-L520 HydrophobicContact CB-CD1 3.77Å
477	H	94.9	Very high	94.6	Very high	86 Å²	86	32.1 Å²	32.1	40%	0.398	16%	0.162	S	C	.	.			trans	-142.1	166.9	179.8	67.1	103.5	0	0	0	110.2	Y480 D521 N522 Y523	H477-Y480 VanDerWaalsContact O-CE2 3.3Å; H477-Y480 WeakPolarHBondContact O-CE2 3.37Å; H477-Y480 PolarHBondContact O-OH 2.93Å; H477-D521 WeakPolarHBondContact CB-O 3.31Å; H477-N522 PolarHBondContact ND1-OD1 3.21Å; H477-Y523 HydrophobicContact CB-CD2 4.28Å
478	G	95.8	Very high	93.1	Very high	14 Å²	14	37.2 Å²	37.2	14%	0.144	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.7	-165.5	174.2	0	0	0	0	0	115.3	L520	G478-L520 PolarHBondContact O-N 3.39Å
479	D	96.7	Very high	91.2	Very high	94 Å²	94	40 Å²	40	50%	0.503	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140	-173.8	-74.6	-63.4	0	0	0	112.5	R366 L519	R366-D479 IonicContact CZ-OD1 2.99Å; R366-D479 IonicContact NE-OD1 3.37Å; R366-D479 PolarHBondContact NE-OD1 3.23Å; R366-D479 IonicContact NH1-OD1 3.64Å; R366-D479 IonicContact NH2-OD1 2.64Å; R366-D479 PolarHBondContact NH2-OD1 2.88Å; R366-D479 IonicContact NH2-OD2 3.39Å; R366-D479 PolarHBondContact NH2-OD2 2.8Å; D479-L519 WeakPolarHBondContact OD1-CB 3.06Å; D479-L519 WeakPolarHBondContact OD1-CD1 3.46Å
480	Y	97.8	Very high	88.7	Confident	36 Å²	36	50.4 Å²	50.4	14%	0.141	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	139.1	175.2	-64.5	-98.4	0	0	0	111	L466 H477 L482 S517 I518 L520	L466-Y480 HydrophobicContact CD1-CD1 4.31Å; L466-Y480 HydrophobicContact CD1-CE1 4.24Å; L466-Y480 HydrophobicContact CD2-CD1 4.24Å; L466-Y480 HydrophobicContact CD2-CD2 4.26Å; L466-Y480 HydrophobicContact CD2-CE1 4.36Å; L466-Y480 HydrophobicContact CD2-CE2 4.41Å; L466-Y480 HydrophobicContact CD2-CG 4.21Å; H477-Y480 VanDerWaalsContact O-CE2 3.3Å; H477-Y480 WeakPolarHBondContact O-CE2 3.37Å; H477-Y480 PolarHBondContact O-OH 2.93Å; Y480-L482 HydrophobicContact CD1-CD2 4.3Å; Y480-S517 WeakPolarHBondContact O-CA 3.41Å; Y480-I518 PolarHBondContact N-O 3.42Å; Y480-I518 PolarHBondContact O-N 2.95Å; Y480-L520 HydrophobicContact CD2-CD1 4.23Å; Y480-L520 HydrophobicContact CD2-CG 4.49Å; Y480-L520 HydrophobicContact CE2-CD1 3.79Å; Y480-L520 HydrophobicContact CE2-CG 4.39Å
481	V	97.5	Very high	86.4	Confident	90 Å²	90	52.9 Å²	52.9	55%	0.545	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.8	165.1	-178.6	0	0	0	0	106.9
482	L	97.9	Very high	83.9	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.9	-172	-57	176.4	0	0	0	109.7	L431 V464 L466 Y480 T506 S515 I516 I518	L431-L482 HydrophobicContact CD1-CD1 4.21Å; V464-L482 HydrophobicContact CG1-CB 3.92Å; V464-L482 HydrophobicContact CG1-CD1 4.14Å; V464-L482 HydrophobicContact CG2-CB 4.1Å; L466-L482 HydrophobicContact CB-CD1 4.2Å; L466-L482 HydrophobicContact CD2-CD1 4.45Å; Y480-L482 HydrophobicContact CD1-CD2 4.3Å; L482-T506 HydrophobicContact CB-CG2 4.42Å; L482-T506 HydrophobicContact CD2-CG2 3.97Å; L482-S515 CarbonylContact O-C 3.59Å; L482-S515 WeakPolarHBondContact O-CA 2.97Å; L482-I516 HydrophobicContact CB-CG2 3.99Å; L482-I516 PolarHBondContact N-O 3.21Å; L482-I516 PolarHBondContact O-N 3.44Å; L482-I518 HydrophobicContact CD1-CD1 4.05Å
483	H	97.5	Very high	81.5	Confident	30 Å²	30	63.6 Å²	63.6	14%	0.139	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	127.5	173.4	-72.1	-88.3	0	0	0	110.4	N507 K510 S513	H483-N507 HydrophobicContact CB-CB 4.12Å; H483-N507 WeakPolarHBondContact CB-O 3.45Å; H483-N507 PolarHBondContact O-N 2.94Å; H483-K510 PolarHBondContact CE1-O 3.15Å; H483-S513 PolarHBondContact ND1-OG 3.1Å; H483-S513 VanDerWaalsContact ND1-OG 3.12Å
484	M	96.4	Very high	78.9	Confident	1 Å²	1	72 Å²	72	1%	0.005	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-96.9	153.3	-166.8	-53.3	-174.2	76.2	0	0	112.4	L431 I433 V464 N507 M514 I516	L431-M484 WeakPolarHBondContact O-CE 3.25Å; I433-M484 HydrophobicContact CD1-CE 3.98Å; I433-M484 HydrophobicContact CD1-SD 3.37Å; I433-M484 WeakPolarHBondContact CD1-SD 3.49Å; I433-M484 HydrophobicContact CG1-CE 3.98Å; I433-M484 HydrophobicContact CG1-SD 4.05Å; V464-M484 HydrophobicContact CB-CB 4.34Å; V464-M484 HydrophobicContact CB-CE 4.44Å; V464-M484 HydrophobicContact CB-CG 4.02Å; V464-M484 HydrophobicContact CG1-CE 4.04Å; V464-M484 HydrophobicContact CG1-CG 3.92Å; M484-N507 WeakPolarHBondContact O-CB 3.16Å; M484-N507 PolarHBondContact O-ND2 3.44Å; M484-M514 HydrophobicContact CB-CB 4.39Å; M484-M514 HydrophobicContact CB-CG 4.39Å; M484-M514 WeakPolarHBondContact CB-O 3.49Å; M484-M514 HydrophobicContact CG-CG 4.29Å; M484-M514 PolarHBondContact N-O 3.24Å; M484-M514 HydrophobicContact SD-CG 3.77Å; M484-I516 HydrophobicContact CE-CG2 4.39Å; M484-I516 HydrophobicContact CG-CB 4.48Å; M484-I516 HydrophobicContact CG-CG2 3.95Å; M484-I516 HydrophobicContact SD-CB 3.87Å; M484-I516 HydrophobicContact SD-CG2 3.78Å
485	W	94.1	Very high	76.6	Confident	12 Å²	12	72.6 Å²	72.6	5%	0.045	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	140.5	172	-56.8	101	0	0	0	110	Y462 Y463 A505 T506 N507 R707 H708	Y462-W485 CarbonylContact C-O 3.52Å; Y462-W485 WeakPolarHBondContact CA-O 3.43Å; Y463-W485 HydrophobicContact CD1-CB 4.08Å; Y463-W485 HydrophobicContact CD2-CB 4.42Å; Y463-W485 HydrophobicContact CE1-CB 3.57Å; Y463-W485 HydrophobicContact CE2-CB 3.93Å; Y463-W485 AromaticContact CE2-CD1 3.82Å; Y463-W485 HydrophobicContact CE2-CG 4.12Å; Y463-W485 HydrophobicContact CG-CB 4.48Å; Y463-W485 VanDerWaalsContact CZ-CB 3.49Å; Y463-W485 PolarHBondContact N-O 3.14Å; Y463-W485 PolarHBondContact O-N 2.66Å; W485-A505 HydrophobicContact CZ2-CB 4.21Å; W485-A505 PolarHBondContact NE1-O 2.92Å; W485-T506 WeakPolarHBondContact CZ2-O 3.42Å; W485-N507 HydrophobicContact CD2-CB 4.12Å; W485-N507 HydrophobicContact CE3-CB 4.07Å; W485-N507 HydrophobicContact CH2-CB 4.44Å; W485-N507 HydrophobicContact CZ2-CB 4.47Å; W485-N507 HydrophobicContact CZ3-CB 4.23Å; W485-R707 HydrophobicContact CH2-CB 3.88Å; W485-R707 HydrophobicContact CZ3-CB 3.88Å; W485-H708 AromaticContact CD2-CD2 3.36Å; W485-H708 AromaticContact CD2-NE2 3.5Å; W485-H708 AromaticContact CE2-CD2 3.53Å; W485-H708 AromaticContact CE3-CD2 3.55Å; W485-H708 AromaticContact CE3-NE2 3.38Å; W485-H708 AromaticContact CG-CD2 3.84Å; W485-H708 AromaticContact CG-NE2 3.84Å; W485-H708 AromaticContact CZ2-CD2 3.88Å; W485-H708 AromaticContact CZ3-CD2 3.89Å; W485-H708 AromaticContact CZ3-NE2 3.97Å
486	Q	90.4	Very high	74.3	Confident	134 Å²	134	73.3 Å²	73.3	63%	0.626	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	141	174.9	-173	178.6	10.1	0	0	110.4	Y462	Y462-Q486 HydrophobicContact CD1-CB 3.97Å; Y462-Q486 HydrophobicContact CD1-CG 4.16Å; Y462-Q486 HydrophobicContact CE1-CB 3.86Å; Y462-Q486 HydrophobicContact CE1-CG 3.72Å
487	I	84.2	Confident	72.4	Confident	49 Å²	49	77.3 Å²	77.3	25%	0.251	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-78.4	122	171.8	-61.3	-163	0	0	0	110.2	L460 L461 Y463	L460-I487 HydrophobicContact CB-CD1 3.97Å; L460-I487 HydrophobicContact CD2-CD1 3.33Å; L460-I487 HydrophobicContact CG-CD1 3.35Å; L460-I487 HydrophobicContact CG-CG1 4.46Å; L461-I487 PolarHBondContact O-N 2.71Å; Y463-I487 HydrophobicContact CD1-CD1 4.39Å; Y463-I487 HydrophobicContact CD1-CG1 3.93Å; Y463-I487 HydrophobicContact CE1-CG1 4.24Å
488	S	64.9	Low	71.2	Confident	109 Å²	109	75.1 Å²	75.1	76%	0.762	41%	0.405	S	S	*	.			trans	-86.4	112.4	-179.5	49.9	0	0	0	0	113
489	G	56.8	Low	70.2	Confident	61 Å²	61	74.5 Å²	74.5	63%	0.629	40%	0.398	S	S	*	.	S	Bend	trans	77.6	169.8	160.3	0	0	0	0	0	118	V491	G489-V491 PolarHBondContact O-N 3.17Å
490	K	44.3	Very low	69.6	Low	218 Å²	218	70.9 Å²	70.9	95%	0.948	38%	0.378	S	S	*	.	S	Bend	trans	-59.2	31.3	-168.9	-62.5	-178.2	176.1	179.8	0	117.4	E492	K490-E492 PolarHBondContact O-N 3.45Å; K490-E492 VanDerWaalsContact O-N 3.07Å
491	V	45.2	Very low	69	Low	73 Å²	73	72.1 Å²	72.1	44%	0.442	39%	0.385	S	S	.	.			trans	-87.2	60.9	174.8	-168.4	0	0	0	0	108.3	G489 E493	G489-V491 PolarHBondContact O-N 3.17Å; V491-E493 PolarHBondContact O-N 3.13Å
492	E	40.9	Very low	68.5	Low	107 Å²	107	69.7 Å²	69.7	50%	0.5	37%	0.368	S	S	.	.			trans	-89.3	79.4	166.5	-87	-163.9	149.2	0	0	109	Q459 K490	Q459-E492 WeakPolarHBondContact CB-OE1 3.29Å; Q459-E492 HydrophobicContact CG-CG 4.43Å; Q459-E492 WeakPolarHBondContact CG-OE1 3.25Å; K490-E492 PolarHBondContact O-N 3.45Å; K490-E492 VanDerWaalsContact O-N 3.07Å
493	E	39.4	Very low	68.2	Low	143 Å²	143	69.8 Å²	69.8	67%	0.668	37%	0.369	S	S	*	.	S	Bend	trans	-127.8	133.3	145.2	-71.2	-166.1	164.2	0	0	108.5	V491 G495 S496	V491-E493 PolarHBondContact O-N 3.13Å; E493-G495 PolarHBondContact O-N 2.89Å; E493-S496 PolarHBondContact O-N 2.84Å
494	Q	37.4	Very low	67.9	Low	209 Å²	209	69 Å²	69	98%	0.977	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	108.2	174.3	-72	176.3	-22.7	0	0	108
495	G	45.2	Very low	67.8	Low	36 Å²	36	69.5 Å²	69.5	37%	0.371	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	123.1	6.9	178.8	0	0	0	0	0	116.6	E493 F497	E493-G495 PolarHBondContact O-N 2.89Å; G495-F497 WeakPolarHBondContact O-CD2 3.42Å; G495-F497 VanDerWaalsContact O-CE2 3.22Å; G495-F497 WeakPolarHBondContact O-CE2 3.25Å; G495-F497 PolarHBondContact O-N 3.33Å
496	S	46.6	Very low	67.8	Low	19 Å²	19	69.5 Å²	69.5	13%	0.133	37%	0.372	C	S	.	.			trans	-69.5	103.9	168.6	176.8	0	0	0	0	110.8	E493 K501 T1043	E493-S496 PolarHBondContact O-N 2.84Å; S496-K501 PolarHBondContact O-NZ 2.98Å; S496-T1043 VanDerWaalsContact CA-O 3.29Å; S496-T1043 WeakPolarHBondContact CA-O 3.16Å; S496-T1043 VanDerWaalsContact CB-O 3.23Å; S496-T1043 WeakPolarHBondContact CB-O 3.42Å; S496-T1043 PolarHBondContact OG-O 3.09Å
497	F	55.5	Low	68	Low	101 Å²	101	64.1 Å²	64.1	44%	0.443	35%	0.348	S	S	.	.			trans	-92.5	119.2	179.2	-63.1	-77.1	0	0	0	109.9	G495	G495-F497 WeakPolarHBondContact O-CD2 3.42Å; G495-F497 VanDerWaalsContact O-CE2 3.22Å; G495-F497 WeakPolarHBondContact O-CE2 3.25Å; G495-F497 PolarHBondContact O-N 3.33Å
498	N	70.1	Confident	68.4	Low	41 Å²	41	63.7 Å²	63.7	22%	0.219	35%	0.348	C	S	.	.			trans	-128.3	135.4	172.3	174.9	-0.6	0	0	0	107.2	D500 K501 M1036 G1038	N498-D500 PolarHBondContact ND2-OD2 2.95Å; N498-D500 PolarHBondContact O-N 2.96Å; N498-D500 PolarHBondContact OD1-N 3.25Å; N498-D500 PolarHBondContact OD1-OD2 3.34Å; N498-K501 WeakPolarHBondContact O-CB 3.42Å; N498-K501 PolarHBondContact O-N 2.89Å; N498-M1036 PolarHBondContact OD1-O 3Å; N498-G1038 PolarHBondContact OD1-N 2.87Å
499	A	75	Confident	69.8	Low	0 Å²	0	61 Å²	61	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-50.7	-33.9	171.9	0	0	0	0	0	111.4	K501 L502 K668 F669 Y709 M1036	A499-K501 PolarHBondContact O-N 2.97Å; A499-K501 VanDerWaalsContact O-N 3.13Å; A499-L502 WeakPolarHBondContact O-CA 3.43Å; A499-L502 WeakPolarHBondContact O-CB 3.43Å; A499-L502 PolarHBondContact O-N 3.45Å; A499-K668 HydrophobicContact CB-CB 3.99Å; A499-K668 HydrophobicContact CB-CD 4.39Å; A499-F669 HydrophobicContact CB-CD1 4.14Å; A499-F669 HydrophobicContact CB-CE1 3.55Å; A499-F669 HydrophobicContact CB-CZ 4.33Å; A499-Y709 PolarHBondContact O-OH 3.02Å; A499-M1036 WeakPolarHBondContact CA-O 3.49Å; A499-M1036 HydrophobicContact CB-CB 4.32Å; A499-M1036 WeakPolarHBondContact CB-O 3.29Å; A499-M1036 PolarHBondContact N-O 2.88Å
500	D	84.6	Confident	71.5	Confident	18 Å²	18	63 Å²	63	10%	0.096	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-53.7	-34.6	175.3	-64.7	-28.1	0	0	0	111.8	Y463 N498 L502 T503 H708	Y463-D500 WeakPolarHBondContact CE2-O 3.25Å; Y463-D500 PolarHBondContact OH-O 3.31Å; N498-D500 PolarHBondContact ND2-OD2 2.95Å; N498-D500 PolarHBondContact O-N 2.96Å; N498-D500 PolarHBondContact OD1-N 3.25Å; N498-D500 PolarHBondContact OD1-OD2 3.34Å; D500-L502 PolarHBondContact O-N 2.87Å; D500-L502 VanDerWaalsContact O-N 3.15Å; D500-T503 VanDerWaalsContact O-CG2 3.23Å; D500-T503 WeakPolarHBondContact O-CG2 3.23Å; D500-T503 PolarHBondContact O-N 3.36Å; D500-T503 VanDerWaalsContact O-N 3.17Å; D500-H708 VanDerWaalsContact CG-ND1 3.3Å; D500-H708 IonicContact OD1-CG 3.82Å; D500-H708 IonicContact OD1-ND1 2.77Å; D500-H708 PolarHBondContact OD1-ND1 3.16Å; D500-H708 IonicContact OD2-CE1 2.7Å; D500-H708 IonicContact OD2-ND1 3.12Å
501	K	84.3	Confident	73.7	Confident	62 Å²	62	60.2 Å²	60.2	27%	0.27	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-67.9	-10.8	176	-64.7	-177.6	178.8	172.1	0	114.5	Y463 N465 S496 N498 A499	Y463-K501 HydrophobicContact CE1-CG 4.36Å; Y463-K501 HydrophobicContact CE2-CB 4.35Å; Y463-K501 HydrophobicContact CE2-CG 4.33Å; N465-K501 PolarHBondContact ND2-O 3.44Å; S496-K501 PolarHBondContact O-NZ 2.98Å; N498-K501 WeakPolarHBondContact O-CB 3.42Å; N498-K501 PolarHBondContact O-N 2.89Å; A499-K501 PolarHBondContact O-N 2.97Å; A499-K501 VanDerWaalsContact O-N 3.13Å
502	L	87.9	Confident	75.9	Confident	39 Å²	39	61.7 Å²	61.7	20%	0.204	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-100.8	-6.9	177.6	-58.4	175	0	0	0	112.9	A499 D500 S504 C633 F669	A499-L502 WeakPolarHBondContact O-CA 3.43Å; A499-L502 WeakPolarHBondContact O-CB 3.43Å; A499-L502 PolarHBondContact O-N 3.45Å; D500-L502 PolarHBondContact O-N 2.87Å; D500-L502 VanDerWaalsContact O-N 3.15Å; L502-S504 PolarHBondContact O-N 3.32Å; L502-C633 HydrophobicContact CD1-CB 3.8Å; L502-F669 HydrophobicContact CD1-CD1 4.18Å
503	T	92	Very high	78.5	Confident	4 Å²	4	57.1 Å²	57.1	3%	0.025	29%	0.292	C	S	.	.			trans	-62.3	139.2	-177.5	-168.8	0	0	0	0	111.5	N465 D500 A505 H708 Y709	N465-T503 WeakPolarHBondContact CB-O 3.24Å; N465-T503 PolarHBondContact ND2-O 2.9Å; D500-T503 VanDerWaalsContact O-CG2 3.23Å; D500-T503 WeakPolarHBondContact O-CG2 3.23Å; D500-T503 PolarHBondContact O-N 3.36Å; D500-T503 VanDerWaalsContact O-N 3.17Å; T503-A505 VanDerWaalsContact C-N 3.34Å; T503-A505 HydrophobicContact CG2-CB 4.45Å; T503-A505 WeakPolarHBondContact OG1-CB 3.25Å; T503-A505 PolarHBondContact OG1-N 2.61Å; T503-A505 VanDerWaalsContact OG1-N 3.12Å; T503-H708 HydrophobicContact CG2-CB 4.04Å; T503-H708 PolarHBondContact OG1-O 3.2Å; T503-Y709 PolarHBondContact N-OH 3.34Å
504	S	91	Very high	81.2	Confident	13 Å²	13	50.4 Å²	50.4	9%	0.091	26%	0.261	C	S	.	.			trans	-86.5	-5.7	168.3	54.4	0	0	0	0	112.9	L502	L502-S504 PolarHBondContact O-N 3.32Å
505	A	93.3	Very high	84	Confident	12 Å²	12	41 Å²	41	10%	0.099	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-69.7	143.1	177.1	0	0	0	0	0	111.2	W485 T503 H708	W485-A505 HydrophobicContact CZ2-CB 4.21Å; W485-A505 PolarHBondContact NE1-O 2.92Å; T503-A505 VanDerWaalsContact C-N 3.34Å; T503-A505 HydrophobicContact CG2-CB 4.45Å; T503-A505 WeakPolarHBondContact OG1-CB 3.25Å; T503-A505 PolarHBondContact OG1-N 2.61Å; T503-A505 VanDerWaalsContact OG1-N 3.12Å; A505-H708 WeakPolarHBondContact CB-O 3.28Å
506	T	94.6	Very high	86.6	Confident	11 Å²	11	39.3 Å²	39.3	7%	0.067	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-88.4	154.9	169.2	50.6	0	0	0	0	110.7	N167 V464 L482 W485 P508	N167-T506 PolarHBondContact ND2-O 3.4Å; N167-T506 PolarHBondContact OD1-OG1 3.23Å; V464-T506 HydrophobicContact CG2-CG2 4.3Å; L482-T506 HydrophobicContact CB-CG2 4.42Å; L482-T506 HydrophobicContact CD2-CG2 3.97Å; W485-T506 WeakPolarHBondContact CZ2-O 3.42Å; T506-P508 WeakPolarHBondContact O-CD 3.48Å
507	N	94.9	Very high	89	Confident	21 Å²	21	39.5 Å²	39.5	11%	0.112	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-65.1	122.4	177.5	-172.1	-17.6	0	0	0	110.5	N167 H483 M484 W485 D509 S513	N167-N507 PolarHBondContact OD1-O 3.09Å; H483-N507 HydrophobicContact CB-CB 4.12Å; H483-N507 WeakPolarHBondContact CB-O 3.45Å; H483-N507 PolarHBondContact O-N 2.94Å; M484-N507 WeakPolarHBondContact O-CB 3.16Å; M484-N507 PolarHBondContact O-ND2 3.44Å; W485-N507 HydrophobicContact CD2-CB 4.12Å; W485-N507 HydrophobicContact CE3-CB 4.07Å; W485-N507 HydrophobicContact CH2-CB 4.44Å; W485-N507 HydrophobicContact CZ2-CB 4.47Å; W485-N507 HydrophobicContact CZ3-CB 4.23Å; N507-D509 PolarHBondContact O-N 3.44Å; N507-D509 WeakPolarHBondContact OD1-CB 3.43Å; N507-D509 PolarHBondContact OD1-N 3.48Å; N507-S513 WeakPolarHBondContact ND2-CB 3.31Å
508	P	92.9	Very high	91.1	Very high	40 Å²	40	34.8 Å²	34.8	26%	0.26	18%	0.182	S	C	.	.	S	Bend	trans	-69.6	-19.4	-179.1	27.2	-35	0	0	0	113.8	N167 T506 K510	N167-P508 HydrophobicContact CB-CB 4.21Å; T506-P508 WeakPolarHBondContact O-CD 3.48Å; P508-K510 VanDerWaalsContact C-N 3.32Å; P508-K510 PolarHBondContact O-N 3.02Å
509	D	93.3	Very high	92.4	Very high	52 Å²	52	34.3 Å²	34.3	28%	0.278	18%	0.179	S	C	.	.			trans	-82.2	74.2	-179.7	-173.4	-1.5	0	0	0	111.2	N507 E511 N512 S513	N507-D509 PolarHBondContact O-N 3.44Å; N507-D509 WeakPolarHBondContact OD1-CB 3.43Å; N507-D509 PolarHBondContact OD1-N 3.48Å; D509-E511 PolarHBondContact O-N 2.93Å; D509-N512 PolarHBondContact O-N 3.42Å; D509-N512 PolarHBondContact OD1-N 2.63Å; D509-N512 PolarHBondContact OD1-ND2 3.14Å; D509-N512 PolarHBondContact OD2-ND2 3.48Å; D509-S513 WeakPolarHBondContact O-CB 3.42Å; D509-S513 PolarHBondContact O-N 3.35Å; D509-S513 PolarHBondContact O-OG 3.1Å
510	K	92.8	Very high	93.5	Very high	103 Å²	103	34.3 Å²	34.3	45%	0.448	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.8	-176.5	-59	-170.5	-173.6	175.8	0	113.7	S166 H483 P508	S166-K510 WeakPolarHBondContact O-CE 3.33Å; S166-K510 PolarHBondContact O-NZ 3.16Å; H483-K510 PolarHBondContact CE1-O 3.15Å; P508-K510 VanDerWaalsContact C-N 3.32Å; P508-K510 PolarHBondContact O-N 3.02Å
511	E	91.6	Very high	94.1	Very high	161 Å²	161	34.1 Å²	34.1	75%	0.752	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-25.9	-175	-65.1	-177.6	178.8	0	0	113.2	P371 D509	P371-E511 WeakPolarHBondContact CG-O 3.44Å; D509-E511 PolarHBondContact O-N 2.93Å
512	N	91.6	Very high	94.5	Very high	104 Å²	104	36.8 Å²	36.8	56%	0.556	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-16.8	-175.3	-55.9	-73.8	0	0	0	113.8	D509	D509-N512 PolarHBondContact O-N 3.42Å; D509-N512 PolarHBondContact OD1-N 2.63Å; D509-N512 PolarHBondContact OD1-ND2 3.14Å; D509-N512 PolarHBondContact OD2-ND2 3.48Å
513	S	94.3	Very high	94.4	Very high	10 Å²	10	37.8 Å²	37.8	7%	0.07	20%	0.197	C	C	.	.	S	Bend	trans	-80.6	152.7	-177.5	62.7	0	0	0	0	113.3	P371 H483 N507 D509	P371-S513 WeakPolarHBondContact CD-O 3.45Å; H483-S513 PolarHBondContact ND1-OG 3.1Å; H483-S513 VanDerWaalsContact ND1-OG 3.12Å; N507-S513 WeakPolarHBondContact ND2-CB 3.31Å; D509-S513 WeakPolarHBondContact O-CB 3.42Å; D509-S513 PolarHBondContact O-N 3.35Å; D509-S513 PolarHBondContact O-OG 3.1Å
514	M	95.8	Very high	94.1	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	24%	0.237	C	C	.	.			trans	-62.6	139.1	163.6	171.5	63.4	81.3	0	0	109.7	I368 D369 I370 F404 I433 Y462 M484	I368-M514 HydrophobicContact CB-CE 4.5Å; I368-M514 HydrophobicContact CB-SD 3.74Å; I368-M514 HydrophobicContact CD1-CE 4.01Å; I368-M514 HydrophobicContact CD1-SD 4.37Å; I368-M514 HydrophobicContact CG1-CE 4.42Å; I368-M514 HydrophobicContact CG1-SD 4.26Å; D369-M514 CarbonylContact O-C 3.5Å; D369-M514 WeakPolarHBondContact O-CA 3.33Å; I370-M514 HydrophobicContact CB-CB 4.46Å; I370-M514 HydrophobicContact CB-CE 3.54Å; I370-M514 HydrophobicContact CB-SD 3.86Å; I370-M514 HydrophobicContact CD1-CB 4.31Å; I370-M514 HydrophobicContact CD1-CE 4.07Å; I370-M514 HydrophobicContact CG1-CB 4.42Å; I370-M514 HydrophobicContact CG1-CE 4.32Å; I370-M514 HydrophobicContact CG2-CE 3.74Å; F404-M514 HydrophobicContact CE2-CE 3.66Å; F404-M514 HydrophobicContact CZ-CE 3.81Å; I433-M514 HydrophobicContact CD1-CE 4.09Å; I433-M514 HydrophobicContact CD1-CG 3.67Å; I433-M514 HydrophobicContact CD1-SD 3.98Å; Y462-M514 HydrophobicContact CD1-CB 3.82Å; Y462-M514 HydrophobicContact CD1-CG 4.42Å; Y462-M514 HydrophobicContact CD2-CB 4.37Å; Y462-M514 HydrophobicContact CD2-CE 4.3Å; Y462-M514 HydrophobicContact CD2-CG 4.26Å; Y462-M514 HydrophobicContact CE1-CB 3.99Å; Y462-M514 HydrophobicContact CE2-CE 4.16Å; Y462-M514 HydrophobicContact CG-CB 4.04Å; Y462-M514 HydrophobicContact CG-CG 4.13Å; M484-M514 HydrophobicContact CB-CB 4.39Å; M484-M514 HydrophobicContact CB-CG 4.39Å; M484-M514 WeakPolarHBondContact CB-O 3.49Å; M484-M514 HydrophobicContact CG-CG 4.29Å; M484-M514 PolarHBondContact N-O 3.24Å; M484-M514 HydrophobicContact SD-CG 3.77Å
515	S	97.4	Very high	93.9	Very high	12 Å²	12	46.6 Å²	46.6	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150.4	170.3	74.7	0	0	0	0	111.4	I368 D369 L482	I368-S515 CarbonylContact C-O 3.43Å; I368-S515 VanDerWaalsContact CA-O 3.24Å; I368-S515 WeakPolarHBondContact CA-O 3.4Å; D369-S515 PolarHBondContact N-O 3.04Å; D369-S515 PolarHBondContact O-N 3.39Å; L482-S515 CarbonylContact O-C 3.59Å; L482-S515 WeakPolarHBondContact O-CA 2.97Å
516	I	98.4	Very high	93.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.4	173	-175.3	166.8	0	0	0	110	I368 V383 L431 V464 L482 M484 I518	I368-I516 HydrophobicContact CG2-CB 4.04Å; I368-I516 HydrophobicContact CG2-CD1 4.1Å; I368-I516 HydrophobicContact CG2-CG1 3.85Å; V383-I516 HydrophobicContact CG1-CD1 3.88Å; V383-I516 HydrophobicContact CG2-CD1 4.14Å; L431-I516 HydrophobicContact CB-CD1 4.39Å; L431-I516 HydrophobicContact CD1-CD1 4.25Å; L431-I516 HydrophobicContact CD1-CG2 4.23Å; V464-I516 HydrophobicContact CG1-CG2 3.81Å; L482-I516 HydrophobicContact CB-CG2 3.99Å; L482-I516 PolarHBondContact N-O 3.21Å; L482-I516 PolarHBondContact O-N 3.44Å; M484-I516 HydrophobicContact CE-CG2 4.39Å; M484-I516 HydrophobicContact CG-CB 4.48Å; M484-I516 HydrophobicContact CG-CG2 3.95Å; M484-I516 HydrophobicContact SD-CB 3.87Å; M484-I516 HydrophobicContact SD-CG2 3.78Å; I516-I518 HydrophobicContact CD1-CG2 4.3Å; I516-I518 HydrophobicContact CG1-CG2 4.01Å
517	S	98.5	Very high	93.6	Very high	24 Å²	24	48.3 Å²	48.3	17%	0.168	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121.9	176.8	-70.1	0	0	0	0	110.5	R366 G367 Y480	R366-S517 WeakPolarHBondContact CB-O 3.49Å; R366-S517 PolarHBondContact N-O 2.99Å; G367-S517 PolarHBondContact N-O 3.15Å; G367-S517 PolarHBondContact O-N 2.58Å; Y480-S517 WeakPolarHBondContact O-CA 3.41Å
518	I	98.6	Very high	93.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	158.1	179.6	67.2	173	0	0	0	112	V363 K364 I365 L429 L431 L466 Y480 L482 I516	V363-I518 HydrophobicContact CG2-CB 4.01Å; V363-I518 HydrophobicContact CG2-CD1 4.24Å; V363-I518 HydrophobicContact CG2-CG2 4.45Å; K364-I518 CarbonylContact O-C 3.57Å; K364-I518 VanDerWaalsContact O-CA 3.25Å; K364-I518 WeakPolarHBondContact O-CA 3.49Å; I365-I518 HydrophobicContact CD1-CG2 3.85Å; L429-I518 HydrophobicContact CD2-CD1 4.12Å; L431-I518 HydrophobicContact CD1-CD1 3.99Å; L431-I518 HydrophobicContact CD1-CG2 3.91Å; L466-I518 HydrophobicContact CD2-CD1 4.14Å; Y480-I518 PolarHBondContact N-O 3.42Å; Y480-I518 PolarHBondContact O-N 2.95Å; L482-I518 HydrophobicContact CD1-CD1 4.05Å; I516-I518 HydrophobicContact CD1-CG2 4.3Å; I516-I518 HydrophobicContact CG1-CG2 4.01Å
519	L	98.4	Very high	93.4	Very high	31 Å²	31	46.4 Å²	46.4	16%	0.162	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	121.3	169.7	167.2	69.9	0	0	0	109.3	K364 W413 D479	K364-L519 HydrophobicContact CB-CB 4.02Å; K364-L519 HydrophobicContact CD-CD2 4.18Å; K364-L519 PolarHBondContact N-O 2.92Å; K364-L519 PolarHBondContact O-N 3.31Å; W413-L519 HydrophobicContact CH2-CD2 4.39Å; W413-L519 HydrophobicContact CH2-CG 4.41Å; W413-L519 HydrophobicContact CZ2-CD2 4.21Å; D479-L519 WeakPolarHBondContact OD1-CB 3.06Å; D479-L519 WeakPolarHBondContact OD1-CD1 3.46Å
520	L	98.1	Very high	93.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	155.7	167.1	-64.5	176.8	0	0	0	110	F361 V363 L429 L466 R476 G478 Y480 N522	F361-L520 HydrophobicContact CE2-CD2 4.18Å; F361-L520 HydrophobicContact CZ-CD2 3.73Å; V363-L520 HydrophobicContact CB-CD2 4.05Å; V363-L520 HydrophobicContact CG2-CD2 3.77Å; L429-L520 HydrophobicContact CD2-CD2 4.35Å; L466-L520 HydrophobicContact CD2-CD1 4.08Å; R476-L520 HydrophobicContact CB-CD1 3.77Å; G478-L520 PolarHBondContact O-N 3.39Å; Y480-L520 HydrophobicContact CD2-CD1 4.23Å; Y480-L520 HydrophobicContact CD2-CG 4.49Å; Y480-L520 HydrophobicContact CE2-CD1 3.79Å; Y480-L520 HydrophobicContact CE2-CG 4.39Å; L520-N522 PolarHBondContact O-N 3.36Å
521	D	95.8	Very high	92.6	Very high	14 Å²	14	42.7 Å²	42.7	8%	0.075	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-55.8	135.2	175.2	-86	-40.1	0	0	0	110.8	R362 W413 H477 Y523	R362-D521 WeakPolarHBondContact CG-OD2 3.01Å; R362-D521 IonicContact CZ-OD1 2.92Å; R362-D521 VanDerWaalsContact CZ-OD1 3.25Å; R362-D521 IonicContact CZ-OD2 3.25Å; R362-D521 IonicContact NE-OD1 3.49Å; R362-D521 PolarHBondContact NE-OD1 2.78Å; R362-D521 IonicContact NE-OD2 3.93Å; R362-D521 PolarHBondContact NE-OD2 2.92Å; R362-D521 IonicContact NH2-OD1 2.96Å; R362-D521 PolarHBondContact NH2-OD1 2.87Å; R362-D521 IonicContact NH2-OD2 2.73Å; W413-D521 WeakPolarHBondContact CH2-OD1 3.38Å; H477-D521 WeakPolarHBondContact CB-O 3.31Å; D521-Y523 HydrophobicContact CB-CE1 4.23Å; D521-Y523 HydrophobicContact CB-CE2 4.1Å; D521-Y523 WeakPolarHBondContact O-CE2 3.45Å
522	N	92.5	Very high	91.7	Very high	117 Å²	117	37.2 Å²	37.2	63%	0.626	20%	0.202	S	C	*	.	P	Polyproline II helix	trans	-102	127.4	175.8	-160.8	22.2	0	0	0	109.6	H477 L520	H477-N522 PolarHBondContact ND1-OD1 3.21Å; L520-N522 PolarHBondContact O-N 3.36Å
523	Y	87.6	Confident	90.5	Very high	61 Å²	61	36.2 Å²	36.2	24%	0.239	19%	0.194	C	C	.	.			trans	-106.9	155.6	-174.9	-55	-81.8	0	0	0	110.9	I420 L475 H477 D521 H525 I527	I420-Y523 HydrophobicContact CD1-CE1 4.34Å; I420-Y523 WeakPolarHBondContact CD1-OH 3.11Å; L475-Y523 HydrophobicContact CD2-CE2 3.75Å; H477-Y523 HydrophobicContact CB-CD2 4.28Å; D521-Y523 HydrophobicContact CB-CE1 4.23Å; D521-Y523 HydrophobicContact CB-CE2 4.1Å; D521-Y523 WeakPolarHBondContact O-CE2 3.45Å; Y523-H525 VanDerWaalsContact C-N 3.28Å; Y523-H525 WeakPolarHBondContact CB-O 3.25Å; Y523-H525 PolarHBondContact O-N 3.43Å; Y523-I527 HydrophobicContact CD1-CD1 3.42Å; Y523-I527 VanDerWaalsContact CD1-CD1 3.42Å; Y523-I527 HydrophobicContact CD2-CD1 3.5Å; Y523-I527 HydrophobicContact CD2-CG1 4.2Å; Y523-I527 HydrophobicContact CE1-CD1 3.58Å; Y523-I527 HydrophobicContact CE2-CD1 3.68Å; Y523-I527 HydrophobicContact CG-CD1 3.36Å; Y523-I527 HydrophobicContact CG-CG1 4.1Å
524	C	84.8	Confident	88.8	Confident	128 Å²	128	40.4 Å²	40.4	87%	0.865	22%	0.221	S	C	*	.	S	Bend	trans	-65.7	-32.7	179.3	-58.9	0	0	0	0	112.7
525	H	86.1	Confident	87.1	Confident	74 Å²	74	44 Å²	44	34%	0.343	24%	0.243	S	C	.	.	S	Bend	trans	-130.5	150.8	177.7	-57	-66.8	0	0	0	109.5	V349 V352 Y523 I527	V349-H525 PolarHBondContact O-CE1 3.4Å; V349-H525 PolarHBondContact O-ND1 3.25Å; V352-H525 HydrophobicContact CG2-CB 3.96Å; Y523-H525 VanDerWaalsContact C-N 3.28Å; Y523-H525 WeakPolarHBondContact CB-O 3.25Å; Y523-H525 PolarHBondContact O-N 3.43Å; H525-I527 PolarHBondContact O-N 2.86Å
526	P	89.4	Confident	85.3	Confident	50 Å²	50	48.5 Å²	48.5	33%	0.325	27%	0.273	S	S	.	.			trans	-53.3	136.1	171.4	-25.4	34.2	0	0	0	111.7	T351 V352 L474	T351-P526 WeakPolarHBondContact CA-O 3.47Å; V352-P526 PolarHBondContact N-O 3.27Å; L474-P526 HydrophobicContact CD2-CB 4.32Å
527	I	92.6	Very high	83.6	Confident	8 Å²	8	49.6 Å²	49.6	4%	0.041	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121.6	176.7	-63.7	177.4	0	0	0	108.4	V352 L354 L474 L475 Y523 H525	V352-I527 HydrophobicContact CB-CG1 4.49Å; V352-I527 CarbonylContact O-C 3.41Å; V352-I527 WeakPolarHBondContact O-CA 3.44Å; L354-I527 VanDerWaalsContact CA-CG2 3.5Å; L354-I527 HydrophobicContact CB-CG2 3.69Å; L354-I527 HydrophobicContact CD1-CG2 4.32Å; L354-I527 HydrophobicContact CG-CG2 4.18Å; L474-I527 CarbonylContact C-O 3.07Å; L474-I527 WeakPolarHBondContact CA-O 3.24Å; L475-I527 HydrophobicContact CB-CB 4.02Å; L475-I527 HydrophobicContact CB-CG2 4.12Å; L475-I527 HydrophobicContact CD2-CB 4.3Å; L475-I527 HydrophobicContact CD2-CD1 4.11Å; L475-I527 HydrophobicContact CD2-CG2 4.19Å; L475-I527 PolarHBondContact N-O 3.38Å; Y523-I527 HydrophobicContact CD1-CD1 3.42Å; Y523-I527 VanDerWaalsContact CD1-CD1 3.42Å; Y523-I527 HydrophobicContact CD2-CD1 3.5Å; Y523-I527 HydrophobicContact CD2-CG1 4.2Å; Y523-I527 HydrophobicContact CE1-CD1 3.58Å; Y523-I527 HydrophobicContact CE2-CD1 3.68Å; Y523-I527 HydrophobicContact CG-CD1 3.36Å; Y523-I527 HydrophobicContact CG-CG1 4.1Å; H525-I527 PolarHBondContact O-N 2.86Å
528	A	91.7	Very high	81.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.9	-176.2	0	0	0	0	0	111.8	T333 L339 T351 V352 L354 F473 L474 P530	T333-A528 HydrophobicContact CG2-CB 3.68Å; L339-A528 HydrophobicContact CD1-CB 4.1Å; T351-A528 HydrophobicContact CG2-CB 3.61Å; V352-A528 PolarHBondContact O-N 2.92Å; L354-A528 WeakPolarHBondContact CB-O 3.42Å; L354-A528 PolarHBondContact N-O 3.05Å; F473-A528 CarbonylContact O-C 3.5Å; F473-A528 WeakPolarHBondContact O-CA 3.39Å; L474-A528 HydrophobicContact CD2-CB 3.92Å; A528-P530 VanDerWaalsContact O-CD 3.23Å; A528-P530 WeakPolarHBondContact O-CD 3.27Å
529	L	92.3	Very high	79.5	Confident	21 Å²	21	59.6 Å²	59.6	11%	0.11	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-66.6	116.6	166.4	178.5	67.6	0	0	0	108.9	T333 L354 K425 I469 F473	T333-L529 PolarHBondContact OG1-O 3.16Å; L354-L529 HydrophobicContact CD2-CD1 4.01Å; K425-L529 HydrophobicContact CB-CD2 3.72Å; K425-L529 HydrophobicContact CD-CD2 4.42Å; K425-L529 HydrophobicContact CG-CD2 4.32Å; I469-L529 HydrophobicContact CD1-CB 4.29Å; I469-L529 HydrophobicContact CD1-CD2 3.98Å; I469-L529 HydrophobicContact CG2-CB 4.4Å; F473-L529 HydrophobicContact CB-CB 4.22Å; F473-L529 HydrophobicContact CD1-CD2 4.23Å; F473-L529 PolarHBondContact O-N 3.04Å
530	P	88.2	Confident	77.4	Confident	7 Å²	7	58.6 Å²	58.6	5%	0.045	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-69.1	148.4	-179.5	-18.1	32.2	0	0	0	112	H336 S353 W355 A528	H336-P530 HydrophobicContact CB-CB 3.98Å; H336-P530 HydrophobicContact CB-CG 4.16Å; S353-P530 VanDerWaalsContact OG-CG 3.29Å; S353-P530 WeakPolarHBondContact OG-CG 3.49Å; W355-P530 HydrophobicContact CD2-CG 3.94Å; W355-P530 HydrophobicContact CE3-CB 4.35Å; W355-P530 HydrophobicContact CE3-CG 4.1Å; W355-P530 HydrophobicContact CG-CG 4.2Å; W355-P530 HydrophobicContact CZ3-CB 4.39Å; A528-P530 VanDerWaalsContact O-CD 3.23Å; A528-P530 WeakPolarHBondContact O-CD 3.27Å
531	K	80.8	Confident	75.3	Confident	70 Å²	70	61.5 Å²	61.5	30%	0.304	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-66.4	141.6	162.9	-74.5	-161	166.3	-175.4	0	109.7	V332 G334 Y335	V332-K531 HydrophobicContact CG1-CD 3.73Å; V332-K531 VanDerWaalsContact CG1-CE 3.46Å; V332-K531 HydrophobicContact CG1-CG 4.36Å; G334-K531 PolarHBondContact O-N 3.34Å; Y335-K531 HydrophobicContact CD1-CB 3.88Å; Y335-K531 WeakPolarHBondContact CD1-O 3.05Å; Y335-K531 HydrophobicContact CE1-CB 3.91Å
532	H	71.9	Confident	73.1	Confident	46 Å²	46	70.3 Å²	70.3	21%	0.213	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-81.9	131.2	175.1	-163.9	-33.2	0	0	0	110.3	A605 Y608	H532-A605 VanDerWaalsContact NE2-CA 3.26Å; H532-A605 WeakPolarHBondContact NE2-CA 3.44Å; H532-A605 WeakPolarHBondContact NE2-CB 3.46Å; H532-A605 PolarHBondContact NE2-O 3.18Å; H532-Y608 HydrophobicContact CB-CD2 4.12Å; H532-Y608 AromaticContact CD2-CD2 3.83Å
533	Q	66.7	Low	71.2	Confident	83 Å²	83	69.8 Å²	69.8	39%	0.388	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-88.8	123.4	162.2	-68.2	-171.5	2.7	0	0	109.4	Y335 T535	Y335-Q533 HydrophobicContact CD1-CB 4.47Å; Y335-Q533 HydrophobicContact CD1-CG 3.24Å; Y335-Q533 HydrophobicContact CE1-CB 4.49Å; Y335-Q533 HydrophobicContact CE1-CG 3.34Å; Y335-Q533 HydrophobicContact CG-CG 3.9Å; Q533-T535 PolarHBondContact O-N 3.33Å
534	P	59.9	Low	69.8	Low	98 Å²	98	76 Å²	76	64%	0.636	40%	0.398	S	S	*	.			trans	-64	102	175.7	-13.6	26.4	0	0	0	109	A612	P534-A612 HydrophobicContact CB-CB 4.44Å
535	T	60	Low	68.3	Low	77 Å²	77	73.9 Å²	73.9	47%	0.472	39%	0.39	S	S	.	.			trans	-89.4	139.5	167.6	47.6	0	0	0	0	108.4	Q533 D537 Q609	Q533-T535 PolarHBondContact O-N 3.33Å; T535-D537 PolarHBondContact O-N 2.77Å; T535-Q609 PolarHBondContact O-NE2 3.43Å; T535-Q609 PolarHBondContact OG1-NE2 3.17Å; T535-Q609 VanDerWaalsContact OG1-NE2 3.12Å
536	P	60.2	Low	67.4	Low	108 Å²	108	79.1 Å²	79.1	70%	0.701	41%	0.414	S	S	*	.			trans	-58.1	139.8	172.5	-18.6	29.7	0	0	0	109.8	P538	P536-P538 WeakPolarHBondContact O-CD 3.37Å
537	D	62.4	Low	67	Low	23 Å²	23	77.4 Å²	77.4	12%	0.123	40%	0.402	C	S	.	.			trans	-99	80.3	170.4	179.3	13.3	0	0	0	109.6	T535 E539 G540 D541 R579 Y580	T535-D537 PolarHBondContact O-N 2.77Å; D537-E539 PolarHBondContact O-N 3.12Å; D537-E539 PolarHBondContact OD1-N 2.8Å; D537-G540 VanDerWaalsContact CG-N 3.32Å; D537-G540 PolarHBondContact O-N 2.8Å; D537-G540 PolarHBondContact OD1-N 2.59Å; D537-G540 VanDerWaalsContact OD2-CA 3.31Å; D537-G540 WeakPolarHBondContact OD2-CA 3.44Å; D537-G540 PolarHBondContact OD2-N 2.92Å; D537-D541 PolarHBondContact O-N 3.4Å; D537-D541 VanDerWaalsContact O-N 3.11Å; D537-R579 IonicContact OD2-NH2 3.62Å; D537-R579 PolarHBondContact OD2-NH2 2.76Å; D537-Y580 PolarHBondContact OD2-OH 2.94Å
538	P	56	Low	66.8	Low	81 Å²	81	80.4 Å²	80.4	53%	0.526	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-19	-178.4	27.2	-35.2	0	0	0	113.1	P536 R542	P536-P538 WeakPolarHBondContact O-CD 3.37Å; P538-R542 VanDerWaalsContact O-CG 3.28Å; P538-R542 WeakPolarHBondContact O-CG 3.49Å
539	E	53.9	Low	66.6	Low	154 Å²	154	86.1 Å²	86.1	72%	0.72	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-41.5	174.9	-71.5	-169.7	163.1	0	0	111.5	D537 D541 R542 V543	D537-E539 PolarHBondContact O-N 3.12Å; D537-E539 PolarHBondContact OD1-N 2.8Å; E539-D541 VanDerWaalsContact C-N 3.3Å; E539-D541 PolarHBondContact O-N 2.92Å; E539-R542 WeakPolarHBondContact O-CB 3.32Å; E539-R542 PolarHBondContact O-N 3.29Å; E539-V543 WeakPolarHBondContact O-CG2 3.39Å; E539-V543 PolarHBondContact O-N 3.32Å
540	G	55.7	Low	66.5	Low	10 Å²	10	92.6 Å²	92.6	10%	0.103	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-61.3	-36.4	171.2	0	0	0	0	0	113.4	D537 R542	D537-G540 VanDerWaalsContact CG-N 3.32Å; D537-G540 PolarHBondContact O-N 2.8Å; D537-G540 PolarHBondContact OD1-N 2.59Å; D537-G540 VanDerWaalsContact OD2-CA 3.31Å; D537-G540 WeakPolarHBondContact OD2-CA 3.44Å; D537-G540 PolarHBondContact OD2-N 2.92Å; G540-R542 PolarHBondContact O-N 3.24Å
541	D	52.4	Low	66.6	Low	61 Å²	61	94.8 Å²	94.8	33%	0.326	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-67.3	-15.7	172.4	-104.4	-21.8	0	0	0	113.9	D537 E539 R544 R613	D537-D541 PolarHBondContact O-N 3.4Å; D537-D541 VanDerWaalsContact O-N 3.11Å; E539-D541 VanDerWaalsContact C-N 3.3Å; E539-D541 PolarHBondContact O-N 2.92Å; D541-R544 WeakPolarHBondContact O-CD 3.47Å; D541-R544 WeakPolarHBondContact O-CG 3.47Å; D541-R544 PolarHBondContact O-NE 3.43Å; D541-R613 VanDerWaalsContact CG-NH1 3.25Å; D541-R613 IonicContact OD1-CZ 3.65Å; D541-R613 IonicContact OD1-NH1 2.77Å; D541-R613 PolarHBondContact OD1-NH1 3.49Å; D541-R613 IonicContact OD1-NH2 2.72Å; D541-R613 IonicContact OD2-CZ 2.77Å; D541-R613 IonicContact OD2-NH1 2.74Å; D541-R613 PolarHBondContact OD2-NH1 3.2Å; D541-R613 VanDerWaalsContact OD2-NH1 3.16Å; D541-R613 IonicContact OD2-NH2 3.29Å; D541-R613 PolarHBondContact OD2-NH2 3.4Å
542	R	50.5	Low	67.1	Low	199 Å²	199	96.5 Å²	96.5	75%	0.751	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-98.9	-13.6	-177.4	-83	178.9	-179.4	-170.8	1.8	114.8	P538 E539 G540 R544	P538-R542 VanDerWaalsContact O-CG 3.28Å; P538-R542 WeakPolarHBondContact O-CG 3.49Å; E539-R542 WeakPolarHBondContact O-CB 3.32Å; E539-R542 PolarHBondContact O-N 3.29Å; G540-R542 PolarHBondContact O-N 3.24Å; R542-R544 PolarHBondContact O-N 3.33Å
543	V	52.8	Low	68	Low	106 Å²	106	101.6 Å²	101.6	64%	0.642	52%	0.519	S	S	*	.	S	Bend	trans	-73.8	43.6	174.5	-164.5	0	0	0	0	110.9	E539	E539-V543 WeakPolarHBondContact O-CG2 3.39Å; E539-V543 PolarHBondContact O-N 3.32Å
544	R	58.5	Low	69.3	Low	193 Å²	193	100.4 Å²	100.4	73%	0.728	51%	0.514	S	S	*	.			trans	-71.6	133.3	-165.5	-73.3	-179	176.1	-174.1	-6.2	112.2	D541 R542 E546	D541-R544 WeakPolarHBondContact O-CD 3.47Å; D541-R544 WeakPolarHBondContact O-CG 3.47Å; D541-R544 PolarHBondContact O-NE 3.43Å; R542-R544 PolarHBondContact O-N 3.33Å; R544-E546 PolarHBondContact O-N 3.31Å
545	A	52.1	Low	70.9	Confident	83 Å²	83	96 Å²	96	69%	0.686	49%	0.485	S	S	*	.	S	Bend		86.5	-12.6	125.7	0	0	0	0	0	121.1
546	E	67.4	Low	72.5	Confident	183 Å²	183	96.8 Å²	96.8	86%	0.855	48%	0.483	S	S	*	.			trans	-120.7	81.2	168.7	-82.1	-172.3	162.2	0	0	111.6	R544 P548	R544-E546 PolarHBondContact O-N 3.31Å; E546-P548 WeakPolarHBondContact O-CD 3.35Å
547	M	80.7	Confident	74.1	Confident	14 Å²	14	94.4 Å²	94.4	7%	0.069	47%	0.473	C	S	.	.			trans	-75.3	118.7	156.6	-178	-171.5	-76.5	0	0	107.8	N549 L551 R552 L555 F578 E581	M547-N549 PolarHBondContact O-N 2.85Å; M547-L551 HydrophobicContact CG-CB 4Å; M547-R552 HydrophobicContact CG-CB 4.2Å; M547-R552 WeakPolarHBondContact SD-CA 3.39Å; M547-R552 HydrophobicContact SD-CB 3.56Å; M547-R552 VanDerWaalsContact SD-CB 3.56Å; M547-R552 HydrophobicContact SD-CG 4.03Å; M547-L555 HydrophobicContact CE-CD2 3.53Å; M547-L555 HydrophobicContact SD-CD2 4.2Å; M547-F578 HydrophobicContact CB-CD1 4.44Å; M547-F578 HydrophobicContact CB-CE1 3.98Å; M547-F578 HydrophobicContact CB-CZ 4.35Å; M547-F578 HydrophobicContact CE-CB 3.44Å; M547-F578 VanDerWaalsContact CE-CB 3.44Å; M547-F578 HydrophobicContact CE-CD1 3.34Å; M547-F578 HydrophobicContact CE-CD2 3.67Å; M547-F578 HydrophobicContact CE-CE1 3.91Å; M547-F578 HydrophobicContact CE-CE2 4.2Å; M547-F578 HydrophobicContact CE-CG 3.19Å; M547-F578 HydrophobicContact CE-CZ 4.31Å; M547-F578 HydrophobicContact CG-CD1 4.44Å; M547-F578 HydrophobicContact CG-CE1 4.05Å; M547-F578 HydrophobicContact CG-CE2 4.39Å; M547-F578 HydrophobicContact CG-CZ 4.03Å; M547-E581 HydrophobicContact CE-CB 3.96Å; M547-E581 HydrophobicContact CE-CG 3.99Å
548	P	88.4	Confident	75.6	Confident	72 Å²	72	93.8 Å²	93.8	47%	0.468	47%	0.47	S	S	.	.			trans	-51.8	140.6	173.7	-26.1	33.7	0	0	0	111.4	E546 Q550 L551 R552	E546-P548 WeakPolarHBondContact O-CD 3.35Å; P548-Q550 PolarHBondContact O-N 3.05Å; P548-L551 HydrophobicContact CB-CG 4.46Å; P548-L551 HydrophobicContact CG-CD1 4.15Å; P548-L551 PolarHBondContact O-N 3.21Å; P548-R552 PolarHBondContact O-N 2.85Å
549	N	87.6	Confident	77.4	Confident	119 Å²	119	91 Å²	91	64%	0.636	45%	0.45	S	S	*	.	H	α-helix	trans	-54.1	-32.9	-177.8	-76.1	-27.9	0	0	0	113.2	M547 R552 K553	M547-N549 PolarHBondContact O-N 2.85Å; N549-R552 PolarHBondContact O-N 3.07Å; N549-K553 WeakPolarHBondContact O-CG 3.42Å; N549-K553 PolarHBondContact O-N 3.33Å
550	Q	91	Very high	79.1	Confident	157 Å²	157	87.8 Å²	87.8	73%	0.734	45%	0.45	S	S	*	.	H	α-helix	trans	-65.3	-47.2	175.4	-176.2	175.3	-2.4	0	0	112	P548 R552 K553 Q554	P548-Q550 PolarHBondContact O-N 3.05Å; Q550-R552 VanDerWaalsContact C-N 3.29Å; Q550-R552 PolarHBondContact O-N 3.48Å; Q550-K553 PolarHBondContact O-N 2.95Å; Q550-Q554 PolarHBondContact O-N 3.22Å
551	L	90.7	Very high	80.8	Confident	54 Å²	54	89.2 Å²	89.2	28%	0.283	46%	0.456	S	S	.	.	H	α-helix	trans	-67	-32.1	177.5	-67	-175.9	0	0	0	111.8	M547 P548 Q554 L555 L574 F578	M547-L551 HydrophobicContact CG-CB 4Å; P548-L551 HydrophobicContact CB-CG 4.46Å; P548-L551 HydrophobicContact CG-CD1 4.15Å; P548-L551 PolarHBondContact O-N 3.21Å; L551-Q554 PolarHBondContact O-N 3.49Å; L551-L555 WeakPolarHBondContact O-CB 3.32Å; L551-L555 PolarHBondContact O-N 2.91Å; L551-L574 HydrophobicContact CB-CD1 4.5Å; L551-L574 HydrophobicContact CD1-CD1 4.44Å; L551-L574 HydrophobicContact CD2-CD1 4.13Å; L551-F578 HydrophobicContact CD1-CE2 4.18Å; L551-F578 HydrophobicContact CD1-CZ 4.35Å
552	R	90.3	Very high	82.5	Confident	106 Å²	106	87.1 Å²	87.1	40%	0.4	45%	0.445	S	S	.	.	H	α-helix	trans	-62.6	-49.6	172.1	-172.8	178.7	-63.3	165.4	3.2	112.1	M547 P548 N549 Q550 Q554 L555 E556	M547-R552 HydrophobicContact CG-CB 4.2Å; M547-R552 WeakPolarHBondContact SD-CA 3.39Å; M547-R552 HydrophobicContact SD-CB 3.56Å; M547-R552 VanDerWaalsContact SD-CB 3.56Å; M547-R552 HydrophobicContact SD-CG 4.03Å; P548-R552 PolarHBondContact O-N 2.85Å; N549-R552 PolarHBondContact O-N 3.07Å; Q550-R552 VanDerWaalsContact C-N 3.29Å; Q550-R552 PolarHBondContact O-N 3.48Å; R552-Q554 VanDerWaalsContact C-N 3.26Å; R552-Q554 PolarHBondContact O-N 3.06Å; R552-L555 PolarHBondContact O-N 3.22Å; R552-E556 WeakPolarHBondContact CG-OE1 3.49Å; R552-E556 WeakPolarHBondContact O-CB 3.31Å; R552-E556 WeakPolarHBondContact O-CG 3.37Å; R552-E556 PolarHBondContact O-N 3.4Å
553	K	91.8	Very high	84.2	Confident	152 Å²	152	79.5 Å²	79.5	66%	0.661	42%	0.421	S	S	*	.	H	α-helix	trans	-60.7	-38	176.1	-73.5	-177	177.8	-172.7	0	112	N549 Q550 A557	N549-K553 WeakPolarHBondContact O-CG 3.42Å; N549-K553 PolarHBondContact O-N 3.33Å; Q550-K553 PolarHBondContact O-N 2.95Å; K553-A557 VanDerWaalsContact O-CB 3.31Å; K553-A557 WeakPolarHBondContact O-CB 3.28Å; K553-A557 PolarHBondContact O-N 2.73Å
554	Q	93.4	Very high	85.7	Confident	59 Å²	59	75.7 Å²	75.7	28%	0.276	40%	0.397	S	S	.	.	H	α-helix	trans	-65.9	-45.1	176	-171.9	176.1	-5.3	0	0	111.6	Q550 L551 R552 A557 I558 L574	Q550-Q554 PolarHBondContact O-N 3.22Å; L551-Q554 PolarHBondContact O-N 3.49Å; R552-Q554 VanDerWaalsContact C-N 3.26Å; R552-Q554 PolarHBondContact O-N 3.06Å; Q554-A557 PolarHBondContact O-N 3.3Å; Q554-I558 HydrophobicContact CG-CD1 4.2Å; Q554-I558 WeakPolarHBondContact O-CD1 3.49Å; Q554-I558 VanDerWaalsContact O-CG1 3.27Å; Q554-I558 WeakPolarHBondContact O-CG1 3.45Å; Q554-I558 PolarHBondContact O-N 3.39Å; Q554-L574 HydrophobicContact CB-CD2 4.38Å; Q554-L574 HydrophobicContact CG-CD2 4.08Å
555	L	93	Very high	87.1	Confident	5 Å²	5	69.2 Å²	69.2	3%	0.026	38%	0.377	C	S	.	.	H	α-helix	trans	-60	-47	175.2	-179	66.1	0	0	0	111.6	M547 L551 R552 A557 I558 I559 L574 L575 F578 E581	M547-L555 HydrophobicContact CE-CD2 3.53Å; M547-L555 HydrophobicContact SD-CD2 4.2Å; L551-L555 WeakPolarHBondContact O-CB 3.32Å; L551-L555 PolarHBondContact O-N 2.91Å; R552-L555 PolarHBondContact O-N 3.22Å; L555-A557 VanDerWaalsContact C-N 3.32Å; L555-A557 PolarHBondContact O-N 2.79Å; L555-I558 PolarHBondContact O-N 3.09Å; L555-I559 HydrophobicContact CD1-CD1 4.21Å; L555-I559 HydrophobicContact CG-CD1 3.88Å; L555-I559 VanDerWaalsContact O-CG1 3.25Å; L555-I559 WeakPolarHBondContact O-CG1 3.25Å; L555-I559 PolarHBondContact O-N 3.41Å; L555-L574 HydrophobicContact CB-CD2 4.45Å; L555-L575 HydrophobicContact CD1-CD2 3.64Å; L555-L575 HydrophobicContact CD1-CG 4.16Å; L555-F578 HydrophobicContact CD2-CB 4.49Å; L555-E581 HydrophobicContact CD2-CB 4.49Å
556	E	93.4	Very high	88.8	Confident	93 Å²	93	69.4 Å²	69.4	44%	0.435	37%	0.371	S	S	.	.	H	α-helix	trans	-60.3	-41.4	176.4	-73.2	170	-176.6	0	0	111.7	R552 I559 A560	R552-E556 WeakPolarHBondContact CG-OE1 3.49Å; R552-E556 WeakPolarHBondContact O-CB 3.31Å; R552-E556 WeakPolarHBondContact O-CG 3.37Å; R552-E556 PolarHBondContact O-N 3.4Å; E556-I559 PolarHBondContact O-N 3Å; E556-A560 WeakPolarHBondContact O-CB 3.48Å; E556-A560 PolarHBondContact O-N 3.09Å
557	A	93.5	Very high	89.9	Confident	58 Å²	58	62.1 Å²	62.1	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-63.3	-43.4	175.8	0	0	0	0	0	111.9	K553 Q554 L555 I559 A560 T561	K553-A557 VanDerWaalsContact O-CB 3.31Å; K553-A557 WeakPolarHBondContact O-CB 3.28Å; K553-A557 PolarHBondContact O-N 2.73Å; Q554-A557 PolarHBondContact O-N 3.3Å; L555-A557 VanDerWaalsContact C-N 3.32Å; L555-A557 PolarHBondContact O-N 2.79Å; A557-I559 PolarHBondContact O-N 3.44Å; A557-A560 PolarHBondContact O-N 3.37Å; A557-T561 WeakPolarHBondContact O-CG2 3.27Å; A557-T561 PolarHBondContact O-N 3.14Å
558	I	94.6	Very high	90.6	Very high	11 Å²	11	65 Å²	65	6%	0.056	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-46.5	175.4	-67.1	159.9	0	0	0	110.3	Q554 L555 A560 T561 L567 D571 L574 L575 K591	Q554-I558 HydrophobicContact CG-CD1 4.2Å; Q554-I558 WeakPolarHBondContact O-CD1 3.49Å; Q554-I558 VanDerWaalsContact O-CG1 3.27Å; Q554-I558 WeakPolarHBondContact O-CG1 3.45Å; Q554-I558 PolarHBondContact O-N 3.39Å; L555-I558 PolarHBondContact O-N 3.09Å; I558-A560 VanDerWaalsContact C-N 3.28Å; I558-A560 PolarHBondContact O-N 3.01Å; I558-T561 PolarHBondContact O-N 2.83Å; I558-T561 PolarHBondContact O-OG1 3.24Å; I558-L567 HydrophobicContact CG2-CD2 3.68Å; I558-D571 HydrophobicContact CD1-CB 3.92Å; I558-D571 WeakPolarHBondContact CD1-OD1 3.47Å; I558-D571 HydrophobicContact CG1-CB 4.41Å; I558-D571 HydrophobicContact CG2-CB 4.46Å; I558-L574 HydrophobicContact CD1-CD2 3.9Å; I558-L575 HydrophobicContact CG2-CD1 3.96Å; I558-L575 HydrophobicContact CG2-CG 4.46Å; I558-K591 HydrophobicContact CG2-CD 4.27Å; I558-K591 VanDerWaalsContact O-CD 3.24Å; I558-K591 WeakPolarHBondContact O-CD 3.4Å; I558-K591 WeakPolarHBondContact O-CE 3.38Å
559	I	92.9	Very high	90.9	Very high	23 Å²	23	65.2 Å²	65.2	12%	0.118	36%	0.364	C	S	.	.	H	α-helix	trans	-61.6	-37.3	179.3	-66.8	165.1	0	0	0	111.4	L555 E556 A557 T561 H585 K587 A588	L555-I559 HydrophobicContact CD1-CD1 4.21Å; L555-I559 HydrophobicContact CG-CD1 3.88Å; L555-I559 VanDerWaalsContact O-CG1 3.25Å; L555-I559 WeakPolarHBondContact O-CG1 3.25Å; L555-I559 PolarHBondContact O-N 3.41Å; E556-I559 PolarHBondContact O-N 3Å; A557-I559 PolarHBondContact O-N 3.44Å; I559-T561 VanDerWaalsContact C-N 3.27Å; I559-T561 PolarHBondContact O-N 3.04Å; I559-H585 HydrophobicContact CD1-CB 4.38Å; I559-K587 HydrophobicContact CG2-CB 4.18Å; I559-A588 HydrophobicContact CD1-CB 3.67Å; I559-A588 HydrophobicContact CG1-CB 3.64Å; I559-A588 HydrophobicContact CG2-CB 4.12Å
560	A	90.8	Very high	91.2	Very high	86 Å²	86	65.6 Å²	65.6	71%	0.711	36%	0.362	S	S	*	.	H	α-helix	trans	-72.4	-14.7	-179.6	0	0	0	0	0	114.4	E556 A557 I558	E556-A560 WeakPolarHBondContact O-CB 3.48Å; E556-A560 PolarHBondContact O-N 3.09Å; A557-A560 PolarHBondContact O-N 3.37Å; I558-A560 VanDerWaalsContact C-N 3.28Å; I558-A560 PolarHBondContact O-N 3.01Å
561	T	91.5	Very high	91.4	Very high	40 Å²	40	59.2 Å²	59.2	25%	0.245	33%	0.333	C	S	.	.	S	Bend	trans	-67.1	149.7	177.6	61.8	0	0	0	0	112.3	A557 I558 I559 N565 K591	A557-T561 WeakPolarHBondContact O-CG2 3.27Å; A557-T561 PolarHBondContact O-N 3.14Å; I558-T561 PolarHBondContact O-N 2.83Å; I558-T561 PolarHBondContact O-OG1 3.24Å; I559-T561 VanDerWaalsContact C-N 3.27Å; I559-T561 PolarHBondContact O-N 3.04Å; T561-N565 PolarHBondContact OG1-ND2 2.96Å; T561-K591 WeakPolarHBondContact O-CE 2.91Å; T561-K591 PolarHBondContact O-NZ 3.02Å; T561-K591 VanDerWaalsContact OG1-CE 3.3Å; T561-K591 WeakPolarHBondContact OG1-CE 3.37Å; T561-K591 PolarHBondContact OG1-NZ 3.48Å
562	D	88.3	Confident	91.7	Very high	17 Å²	17	60.4 Å²	60.4	9%	0.091	34%	0.336	C	S	.	.			trans	-65.6	166.7	179.7	73.7	-85.8	0	0	0	112.4	L564 N565 K591 I1028 V1057	D562-L564 VanDerWaalsContact C-N 3.27Å; D562-L564 PolarHBondContact O-N 3.26Å; D562-L564 WeakPolarHBondContact OD2-CA 3.28Å; D562-L564 VanDerWaalsContact OD2-CB 3.31Å; D562-L564 WeakPolarHBondContact OD2-CB 3.21Å; D562-L564 PolarHBondContact OD2-N 2.94Å; D562-N565 WeakPolarHBondContact O-CB 3.1Å; D562-N565 PolarHBondContact O-N 3.48Å; D562-N565 PolarHBondContact OD2-N 3.05Å; D562-K591 PolarHBondContact O-NZ 3.34Å; D562-I1028 HydrophobicContact CB-CD1 4.2Å; D562-V1057 HydrophobicContact CB-CG1 4.18Å
563	P	86.4	Confident	91.8	Very high	38 Å²	38	61.2 Å²	61.2	25%	0.247	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.1	-177.7	-25.3	36.2	0	0	0	115.1	Q629 N1025 I1028	P563-Q629 HydrophobicContact CB-CG 4.46Å; P563-Q629 HydrophobicContact CG-CG 4.39Å; P563-N1025 HydrophobicContact CG-CB 4.37Å; P563-I1028 HydrophobicContact CB-CG2 4.17Å; P563-I1028 HydrophobicContact CG-CG2 4.22Å
564	L	83.4	Confident	92	Very high	27 Å²	27	54.9 Å²	54.9	14%	0.141	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-13.5	-178.5	-55	173.5	0	0	0	112.8	D562 P566 I1028 I1048	D562-L564 VanDerWaalsContact C-N 3.27Å; D562-L564 PolarHBondContact O-N 3.26Å; D562-L564 WeakPolarHBondContact OD2-CA 3.28Å; D562-L564 VanDerWaalsContact OD2-CB 3.31Å; D562-L564 WeakPolarHBondContact OD2-CB 3.21Å; D562-L564 PolarHBondContact OD2-N 2.94Å; L564-P566 VanDerWaalsContact O-CD 3.28Å; L564-P566 WeakPolarHBondContact O-CD 3.2Å; L564-I1028 HydrophobicContact CD1-CD1 4.38Å; L564-I1028 HydrophobicContact CD1-CG2 3.92Å; L564-I1028 HydrophobicContact CD2-CG2 4Å; L564-I1028 HydrophobicContact CG-CG2 3.64Å; L564-I1048 HydrophobicContact CD1-CB 3.98Å; L564-I1048 HydrophobicContact CD1-CG2 3.5Å; L564-I1048 VanDerWaalsContact CD1-CG2 3.5Å; L564-I1048 HydrophobicContact CD2-CB 4.33Å; L564-I1048 HydrophobicContact CD2-CD1 4.18Å; L564-I1048 HydrophobicContact CD2-CG2 3.87Å; L564-I1048 HydrophobicContact CG-CG2 4.26Å
565	N	87.8	Confident	92	Very high	56 Å²	56	52.1 Å²	52.1	30%	0.299	31%	0.305	S	S	.	.	S	Bend	trans	-65.6	114.3	177.8	-175.7	71.5	0	0	0	110.4	T561 D562	T561-N565 PolarHBondContact OG1-ND2 2.96Å; D562-N565 WeakPolarHBondContact O-CB 3.1Å; D562-N565 PolarHBondContact O-N 3.48Å; D562-N565 PolarHBondContact OD2-N 3.05Å
566	P	87.3	Confident	92	Very high	87 Å²	87	54 Å²	54	57%	0.565	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-68.8	139.9	-178.9	29.6	-34	0	0	0	110.6	L564	L564-P566 VanDerWaalsContact O-CD 3.28Å; L564-P566 WeakPolarHBondContact O-CD 3.2Å
567	L	91.8	Very high	91.9	Very high	30 Å²	30	55.1 Å²	55.1	16%	0.157	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-84.4	131.3	173.7	-60.6	176.7	0	0	0	110.4	I558 D571 K572 L575 K591	I558-L567 HydrophobicContact CG2-CD2 3.68Å; L567-D571 HydrophobicContact CB-CB 4.23Å; L567-D571 HydrophobicContact CD2-CB 4.23Å; L567-K572 HydrophobicContact CB-CG 3.89Å; L567-K572 HydrophobicContact CD1-CG 4.31Å; L567-L575 HydrophobicContact CD1-CD1 3.85Å; L567-L575 HydrophobicContact CD2-CD1 4.34Å; L567-K591 HydrophobicContact CD1-CB 3.95Å; L567-K591 HydrophobicContact CD1-CG 4.35Å; L567-K591 HydrophobicContact CD2-CD 4.27Å; L567-K591 HydrophobicContact CD2-CG 4.41Å
568	T	94.9	Very high	91.8	Very high	75 Å²	75	54 Å²	54	46%	0.46	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-71.7	167.4	171.2	70.1	0	0	0	0	110.9	E570 D571 K572	T568-E570 VanDerWaalsContact C-N 3.25Å; T568-E570 PolarHBondContact O-N 3.5Å; T568-D571 WeakPolarHBondContact CB-OD2 3.49Å; T568-D571 WeakPolarHBondContact CG2-OD2 3.44Å; T568-D571 PolarHBondContact N-OD2 2.86Å; T568-D571 PolarHBondContact O-N 3.35Å; T568-D571 PolarHBondContact OG1-N 3.45Å; T568-D571 PolarHBondContact OG1-OD2 3.38Å; T568-K572 WeakPolarHBondContact O-CG 3.43Å; T568-K572 PolarHBondContact O-N 3.37Å; T568-K572 VanDerWaalsContact O-N 3.13Å
569	A	94	Very high	91.6	Very high	76 Å²	76	54.9 Å²	54.9	63%	0.628	30%	0.304	S	S	*	.	H	α-helix	trans	-60.2	-38.3	175.7	0	0	0	0	0	112	K572 E573	A569-K572 PolarHBondContact O-N 3.06Å; A569-E573 WeakPolarHBondContact O-CG 3.45Å; A569-E573 PolarHBondContact O-N 2.98Å
570	E	94.8	Very high	91.3	Very high	127 Å²	127	56 Å²	56	59%	0.593	31%	0.307	S	S	*	.	H	α-helix	trans	-66.4	-42.3	177.4	-171.1	179	170.6	0	0	111.6	T568 K572 E573 L574	T568-E570 VanDerWaalsContact C-N 3.25Å; T568-E570 PolarHBondContact O-N 3.5Å; E570-K572 VanDerWaalsContact C-N 3.3Å; E570-K572 PolarHBondContact O-N 2.75Å; E570-E573 PolarHBondContact O-N 2.93Å; E570-L574 WeakPolarHBondContact O-CB 3.45Å; E570-L574 PolarHBondContact O-N 2.9Å
571	D	95.9	Very high	91.2	Very high	23 Å²	23	54.6 Å²	54.6	12%	0.123	29%	0.285	C	S	.	.	H	α-helix	trans	-59.7	-43.3	176.2	-59.9	-37	0	0	0	111.3	I558 L567 T568 L574 L575	I558-D571 HydrophobicContact CD1-CB 3.92Å; I558-D571 WeakPolarHBondContact CD1-OD1 3.47Å; I558-D571 HydrophobicContact CG1-CB 4.41Å; I558-D571 HydrophobicContact CG2-CB 4.46Å; L567-D571 HydrophobicContact CB-CB 4.23Å; L567-D571 HydrophobicContact CD2-CB 4.23Å; T568-D571 WeakPolarHBondContact CB-OD2 3.49Å; T568-D571 WeakPolarHBondContact CG2-OD2 3.44Å; T568-D571 PolarHBondContact N-OD2 2.86Å; T568-D571 PolarHBondContact O-N 3.35Å; T568-D571 PolarHBondContact OG1-N 3.45Å; T568-D571 PolarHBondContact OG1-OD2 3.38Å; D571-L574 PolarHBondContact O-N 3.23Å; D571-L575 WeakPolarHBondContact O-CB 3.24Å; D571-L575 WeakPolarHBondContact O-CG 3.47Å; D571-L575 PolarHBondContact O-N 3.3Å
572	K	95.4	Very high	91.1	Very high	79 Å²	79	52.7 Å²	52.7	34%	0.343	27%	0.274	S	S	.	.	H	α-helix	trans	-64.9	-41.8	178.5	-68	-174.1	179.6	-152.5	0	112	L567 T568 A569 E570 W576 S594 S595	L567-K572 HydrophobicContact CB-CG 3.89Å; L567-K572 HydrophobicContact CD1-CG 4.31Å; T568-K572 WeakPolarHBondContact O-CG 3.43Å; T568-K572 PolarHBondContact O-N 3.37Å; T568-K572 VanDerWaalsContact O-N 3.13Å; A569-K572 PolarHBondContact O-N 3.06Å; E570-K572 VanDerWaalsContact C-N 3.3Å; E570-K572 PolarHBondContact O-N 2.75Å; K572-W576 WeakPolarHBondContact O-CB 3.43Å; K572-W576 PolarHBondContact O-N 3.02Å; K572-S594 PolarHBondContact NZ-O 3.09Å; K572-S594 VanDerWaalsContact NZ-O 3.15Å; K572-S595 WeakPolarHBondContact CA-OG 3.5Å
573	E	94	Very high	91.2	Very high	124 Å²	124	52.5 Å²	52.5	58%	0.579	27%	0.273	S	S	*	.	H	α-helix	trans	-64.2	-42.5	175.8	-74.5	-176	175.3	0	0	111.5	A569 E570 W576 H577	A569-E573 WeakPolarHBondContact O-CG 3.45Å; A569-E573 PolarHBondContact O-N 2.98Å; E570-E573 PolarHBondContact O-N 2.93Å; E573-W576 PolarHBondContact O-N 3.32Å; E573-H577 WeakPolarHBondContact O-CB 3.32Å; E573-H577 PolarHBondContact O-N 3.44Å
574	L	93.9	Very high	91.3	Very high	19 Å²	19	56 Å²	56	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-62.5	-49.1	176.8	-171.6	70.7	0	0	0	111.7	L551 Q554 L555 I558 E570 D571 W576 H577 F578	L551-L574 HydrophobicContact CB-CD1 4.5Å; L551-L574 HydrophobicContact CD1-CD1 4.44Å; L551-L574 HydrophobicContact CD2-CD1 4.13Å; Q554-L574 HydrophobicContact CB-CD2 4.38Å; Q554-L574 HydrophobicContact CG-CD2 4.08Å; L555-L574 HydrophobicContact CB-CD2 4.45Å; I558-L574 HydrophobicContact CD1-CD2 3.9Å; E570-L574 WeakPolarHBondContact O-CB 3.45Å; E570-L574 PolarHBondContact O-N 2.9Å; D571-L574 PolarHBondContact O-N 3.23Å; L574-W576 VanDerWaalsContact C-N 3.33Å; L574-W576 PolarHBondContact O-N 3.39Å; L574-H577 PolarHBondContact O-N 3.11Å; L574-F578 HydrophobicContact CD1-CD2 3.62Å; L574-F578 HydrophobicContact CD1-CE2 3.55Å; L574-F578 HydrophobicContact CG-CD2 4.2Å; L574-F578 WeakPolarHBondContact O-CD2 3.41Å; L574-F578 PolarHBondContact O-N 2.92Å
575	L	94.5	Very high	91.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.1	-44.1	177.5	-82.2	161	0	0	0	111.9	L555 I558 L567 D571 F578 R579 K591 L592 S595	L555-L575 HydrophobicContact CD1-CD2 3.64Å; L555-L575 HydrophobicContact CD1-CG 4.16Å; I558-L575 HydrophobicContact CG2-CD1 3.96Å; I558-L575 HydrophobicContact CG2-CG 4.46Å; L567-L575 HydrophobicContact CD1-CD1 3.85Å; L567-L575 HydrophobicContact CD2-CD1 4.34Å; D571-L575 WeakPolarHBondContact O-CB 3.24Å; D571-L575 WeakPolarHBondContact O-CG 3.47Å; D571-L575 PolarHBondContact O-N 3.3Å; L575-F578 CarbonylContact O-C 3.56Å; L575-R579 VanDerWaalsContact O-CA 3.28Å; L575-R579 WeakPolarHBondContact O-CA 3.37Å; L575-R579 PolarHBondContact O-N 3.25Å; L575-K591 HydrophobicContact CD1-CB 3.95Å; L575-L592 HydrophobicContact CB-CD1 4.5Å; L575-L592 WeakPolarHBondContact O-CD1 3.36Å; L575-S595 WeakPolarHBondContact CD1-OG 3.44Å
576	W	93.3	Very high	91.9	Very high	46 Å²	46	57.4 Å²	57.4	17%	0.174	29%	0.29	C	S	.	.	H	α-helix	trans	-73.4	-39.7	-179.7	-176.8	-110.3	0	0	0	112.8	K572 E573 L574 F578 R579 V596 I603 K606 T607	K572-W576 WeakPolarHBondContact O-CB 3.43Å; K572-W576 PolarHBondContact O-N 3.02Å; E573-W576 PolarHBondContact O-N 3.32Å; L574-W576 VanDerWaalsContact C-N 3.33Å; L574-W576 PolarHBondContact O-N 3.39Å; W576-F578 VanDerWaalsContact C-N 3.33Å; W576-F578 PolarHBondContact O-N 2.98Å; W576-R579 WeakPolarHBondContact O-CB 3.28Å; W576-R579 WeakPolarHBondContact O-CG 3.5Å; W576-R579 PolarHBondContact O-N 3.45Å; W576-V596 HydrophobicContact CE3-CG2 4.11Å; W576-V596 HydrophobicContact CZ3-CG2 3.76Å; W576-I603 HydrophobicContact CH2-CG2 3.89Å; W576-I603 HydrophobicContact CZ2-CB 4.37Å; W576-I603 HydrophobicContact CZ2-CG2 3.59Å; W576-K606 HydrophobicContact CH2-CB 4.22Å; W576-K606 HydrophobicContact CZ2-CB 4.2Å; W576-T607 VanDerWaalsContact CH2-OG1 3.32Å; W576-T607 WeakPolarHBondContact CH2-OG1 3.42Å
577	H	90.9	Very high	92.1	Very high	115 Å²	115	59.8 Å²	59.8	53%	0.532	29%	0.292	S	S	.	.	H	α-helix	trans	-59.6	-46.1	175.7	-172.3	87.3	0	0	0	110.6	E573 L574	E573-H577 WeakPolarHBondContact O-CB 3.32Å; E573-H577 PolarHBondContact O-N 3.44Å; L574-H577 PolarHBondContact O-N 3.11Å
578	F	91.6	Very high	92.2	Very high	36 Å²	36	58.4 Å²	58.4	16%	0.158	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	30.2	179	-64.3	-71.5	0	0	0	114	M547 L551 L555 L574 L575 W576 Y580 E581 S582	M547-F578 HydrophobicContact CB-CD1 4.44Å; M547-F578 HydrophobicContact CB-CE1 3.98Å; M547-F578 HydrophobicContact CB-CZ 4.35Å; M547-F578 HydrophobicContact CE-CB 3.44Å; M547-F578 VanDerWaalsContact CE-CB 3.44Å; M547-F578 HydrophobicContact CE-CD1 3.34Å; M547-F578 HydrophobicContact CE-CD2 3.67Å; M547-F578 HydrophobicContact CE-CE1 3.91Å; M547-F578 HydrophobicContact CE-CE2 4.2Å; M547-F578 HydrophobicContact CE-CG 3.19Å; M547-F578 HydrophobicContact CE-CZ 4.31Å; M547-F578 HydrophobicContact CG-CD1 4.44Å; M547-F578 HydrophobicContact CG-CE1 4.05Å; M547-F578 HydrophobicContact CG-CE2 4.39Å; M547-F578 HydrophobicContact CG-CZ 4.03Å; L551-F578 HydrophobicContact CD1-CE2 4.18Å; L551-F578 HydrophobicContact CD1-CZ 4.35Å; L555-F578 HydrophobicContact CD2-CB 4.49Å; L574-F578 HydrophobicContact CD1-CD2 3.62Å; L574-F578 HydrophobicContact CD1-CE2 3.55Å; L574-F578 HydrophobicContact CG-CD2 4.2Å; L574-F578 WeakPolarHBondContact O-CD2 3.41Å; L574-F578 PolarHBondContact O-N 2.92Å; L575-F578 CarbonylContact O-C 3.56Å; W576-F578 VanDerWaalsContact C-N 3.33Å; W576-F578 PolarHBondContact O-N 2.98Å; F578-Y580 PolarHBondContact O-N 3.06Å; F578-E581 HydrophobicContact CB-CB 4.38Å; F578-E581 WeakPolarHBondContact O-CB 3.42Å; F578-E581 PolarHBondContact O-N 3.28Å; F578-S582 PolarHBondContact O-N 3.27Å; F578-S582 PolarHBondContact O-OG 2.94Å
579	R	90.8	Very high	92.2	Very high	29 Å²	29	54.9 Å²	54.9	11%	0.109	26%	0.263	C	S	.	.	H	α-helix	trans	-50.2	-35.6	-175.4	63.9	-170.6	180	-73.3	-1.1	115.6	D537 L575 W576 L583 L592 L610	D537-R579 IonicContact OD2-NH2 3.62Å; D537-R579 PolarHBondContact OD2-NH2 2.76Å; L575-R579 VanDerWaalsContact O-CA 3.28Å; L575-R579 WeakPolarHBondContact O-CA 3.37Å; L575-R579 PolarHBondContact O-N 3.25Å; W576-R579 WeakPolarHBondContact O-CB 3.28Å; W576-R579 WeakPolarHBondContact O-CG 3.5Å; W576-R579 PolarHBondContact O-N 3.45Å; R579-L583 WeakPolarHBondContact O-CB 3.39Å; R579-L583 PolarHBondContact O-N 3.5Å; R579-L592 HydrophobicContact CB-CD1 3.83Å; R579-L610 HydrophobicContact CB-CD1 3.63Å; R579-L610 HydrophobicContact CG-CD1 3.72Å
580	Y	86.6	Confident	92.3	Very high	46 Å²	46	51.7 Å²	51.7	18%	0.18	24%	0.236	C	C	.	.	H	α-helix	trans	-75.5	-31.3	178	-68.5	-74.9	0	0	0	113.1	D537 F578	D537-Y580 PolarHBondContact OD2-OH 2.94Å; F578-Y580 PolarHBondContact O-N 3.06Å
581	E	88	Confident	92.3	Very high	57 Å²	57	46.4 Å²	46.4	27%	0.266	21%	0.211	S	C	.	.	H	α-helix	trans	-70.4	-43.1	170.2	-67.3	-59.1	138.9	0	0	109.9	M547 L555 F578 L583 K584 H585	M547-E581 HydrophobicContact CE-CB 3.96Å; M547-E581 HydrophobicContact CE-CG 3.99Å; L555-E581 HydrophobicContact CD2-CB 4.49Å; F578-E581 HydrophobicContact CB-CB 4.38Å; F578-E581 WeakPolarHBondContact O-CB 3.42Å; F578-E581 PolarHBondContact O-N 3.28Å; E581-L583 PolarHBondContact O-N 3.34Å; E581-K584 WeakPolarHBondContact O-CB 3.45Å; E581-K584 PolarHBondContact O-N 2.95Å; E581-K584 IonicContact OE1-NZ 3.57Å; E581-K584 PolarHBondContact OE1-NZ 3.39Å; E581-K584 WeakPolarHBondContact OE2-CE 3.4Å; E581-K584 IonicContact OE2-NZ 3.7Å; E581-K584 PolarHBondContact OE2-NZ 2.96Å; E581-H585 PolarHBondContact O-CD2 3.28Å
582	S	90.4	Very high	92.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.5	-38.3	173.2	-55.3	0	0	0	0	112.1	F578 K584 H585	F578-S582 PolarHBondContact O-N 3.27Å; F578-S582 PolarHBondContact O-OG 2.94Å; S582-K584 PolarHBondContact O-N 3.34Å; S582-H585 PolarHBondContact O-N 2.94Å; S582-H585 VanDerWaalsContact O-O 3.12Å
583	L	88.7	Confident	92.3	Very high	13 Å²	13	41.7 Å²	41.7	7%	0.068	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.5	178.7	-158.5	70.7	0	0	0	113.7	R579 E581 H585 Y589 L610 R613	R579-L583 WeakPolarHBondContact O-CB 3.39Å; R579-L583 PolarHBondContact O-N 3.5Å; E581-L583 PolarHBondContact O-N 3.34Å; L583-H585 PolarHBondContact O-N 3.38Å; L583-Y589 HydrophobicContact CD1-CE1 3.85Å; L583-Y589 HydrophobicContact CD1-CE2 4.01Å; L583-Y589 VanDerWaalsContact CD1-CZ 3.44Å; L583-Y589 VanDerWaalsContact CD1-OH 3.22Å; L583-Y589 WeakPolarHBondContact CD1-OH 3.19Å; L583-Y589 HydrophobicContact CG-CE1 4.41Å; L583-Y589 WeakPolarHBondContact CG-OH 3.19Å; L583-Y589 WeakPolarHBondContact O-CE1 3.38Å; L583-Y589 PolarHBondContact O-OH 2.94Å; L583-L610 HydrophobicContact CD1-CD2 3.43Å; L583-L610 VanDerWaalsContact CD1-CD2 3.43Å; L583-L610 HydrophobicContact CD1-CG 4.02Å; L583-L610 HydrophobicContact CD2-CD2 4.28Å; L583-L610 HydrophobicContact CD2-CG 4.04Å; L583-L610 HydrophobicContact CG-CD2 4.46Å; L583-R613 WeakPolarHBondContact CD2-O 3.24Å
584	K	88.4	Confident	92.3	Very high	111 Å²	111	37.7 Å²	37.7	48%	0.483	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.1	174.4	-59.9	177.1	-171.5	166.5	0	112.4	E581 S582	E581-K584 WeakPolarHBondContact O-CB 3.45Å; E581-K584 PolarHBondContact O-N 2.95Å; E581-K584 IonicContact OE1-NZ 3.57Å; E581-K584 PolarHBondContact OE1-NZ 3.39Å; E581-K584 WeakPolarHBondContact OE2-CE 3.4Å; E581-K584 IonicContact OE2-NZ 3.7Å; E581-K584 PolarHBondContact OE2-NZ 2.96Å; S582-K584 PolarHBondContact O-N 3.34Å
585	H	91.1	Very high	92.4	Very high	83 Å²	83	37.2 Å²	37.2	38%	0.384	17%	0.173	S	C	.	.			trans	-115.9	100.1	-178.5	-58.2	-76.8	0	0	0	109.9	I559 E581 S582 L583 K587 A588	I559-H585 HydrophobicContact CD1-CB 4.38Å; E581-H585 PolarHBondContact O-CD2 3.28Å; S582-H585 PolarHBondContact O-N 2.94Å; S582-H585 VanDerWaalsContact O-O 3.12Å; L583-H585 PolarHBondContact O-N 3.38Å; H585-K587 PolarHBondContact O-N 3.22Å; H585-K587 VanDerWaalsContact O-N 3.08Å; H585-A588 HydrophobicContact CB-CB 4.18Å; H585-A588 WeakPolarHBondContact O-CB 3.2Å; H585-A588 PolarHBondContact O-N 3.37Å
586	P	92.8	Very high	92.4	Very high	30 Å²	30	37.4 Å²	37.4	20%	0.195	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-50.6	-38.1	179.5	-31.1	36.5	0	0	0	114.1	A588 Y589 V616 W617 L626	P586-A588 PolarHBondContact O-N 2.67Å; P586-A588 VanDerWaalsContact O-N 3.12Å; P586-Y589 WeakPolarHBondContact O-CB 3.4Å; P586-Y589 WeakPolarHBondContact O-CD1 3.34Å; P586-Y589 PolarHBondContact O-N 3.09Å; P586-Y589 VanDerWaalsContact O-N 3.07Å; P586-V616 HydrophobicContact CG-CG1 4.29Å; P586-W617 HydrophobicContact CB-CE3 4.26Å; P586-W617 HydrophobicContact CB-CZ3 4.4Å; P586-L626 HydrophobicContact CB-CD1 4.49Å
587	K	92.6	Very high	92.5	Very high	137 Å²	137	40.3 Å²	40.3	60%	0.596	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-61.2	-18.7	177	-65.9	-173.3	175.4	-174.6	0	114.4	I559 H585 L626	I559-K587 HydrophobicContact CG2-CB 4.18Å; H585-K587 PolarHBondContact O-N 3.22Å; H585-K587 VanDerWaalsContact O-N 3.08Å; K587-L626 HydrophobicContact CB-CD1 4.28Å; K587-L626 HydrophobicContact CG-CD1 3.89Å
588	A	93.9	Very high	92.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-79.2	-16.6	176.8	0	0	0	0	0	113.4	I559 H585 P586 K591 L592	I559-A588 HydrophobicContact CD1-CB 3.67Å; I559-A588 HydrophobicContact CG1-CB 3.64Å; I559-A588 HydrophobicContact CG2-CB 4.12Å; H585-A588 HydrophobicContact CB-CB 4.18Å; H585-A588 WeakPolarHBondContact O-CB 3.2Å; H585-A588 PolarHBondContact O-N 3.37Å; P586-A588 PolarHBondContact O-N 2.67Å; P586-A588 VanDerWaalsContact O-N 3.12Å; A588-K591 PolarHBondContact O-N 3.43Å; A588-K591 VanDerWaalsContact O-N 3.09Å; A588-L592 WeakPolarHBondContact O-CB 3.01Å; A588-L592 PolarHBondContact O-N 3.07Å
589	Y	95.4	Very high	93	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-58.1	-47.9	-167.4	-80.8	43.3	0	0	0	113.1	L583 P586 K591 L592 F593 W617 I643	L583-Y589 HydrophobicContact CD1-CE1 3.85Å; L583-Y589 HydrophobicContact CD1-CE2 4.01Å; L583-Y589 VanDerWaalsContact CD1-CZ 3.44Å; L583-Y589 VanDerWaalsContact CD1-OH 3.22Å; L583-Y589 WeakPolarHBondContact CD1-OH 3.19Å; L583-Y589 HydrophobicContact CG-CE1 4.41Å; L583-Y589 WeakPolarHBondContact CG-OH 3.19Å; L583-Y589 WeakPolarHBondContact O-CE1 3.38Å; L583-Y589 PolarHBondContact O-OH 2.94Å; P586-Y589 WeakPolarHBondContact O-CB 3.4Å; P586-Y589 WeakPolarHBondContact O-CD1 3.34Å; P586-Y589 PolarHBondContact O-N 3.09Å; P586-Y589 VanDerWaalsContact O-N 3.07Å; Y589-K591 VanDerWaalsContact C-N 3.31Å; Y589-K591 PolarHBondContact O-N 3.21Å; Y589-L592 PolarHBondContact O-N 3.41Å; Y589-F593 AromaticContact CD2-CE2 3.61Å; Y589-F593 HydrophobicContact CD2-CE2 3.61Å; Y589-F593 AromaticContact CD2-CZ 3.91Å; Y589-F593 HydrophobicContact CD2-CZ 3.91Å; Y589-F593 HydrophobicContact CE2-CZ 4.46Å; Y589-F593 AromaticContact CG-CE2 3.98Å; Y589-F593 HydrophobicContact CG-CE2 3.98Å; Y589-F593 HydrophobicContact CG-CZ 4.42Å; Y589-F593 WeakPolarHBondContact O-CD2 3.28Å; Y589-F593 WeakPolarHBondContact O-CG 3.38Å; Y589-F593 PolarHBondContact O-N 2.99Å; Y589-W617 HydrophobicContact CD1-CE3 4.42Å; Y589-W617 HydrophobicContact CD2-CD2 4.05Å; Y589-W617 AromaticContact CD2-CE3 3.34Å; Y589-W617 HydrophobicContact CD2-CE3 3.34Å; Y589-W617 HydrophobicContact CD2-CH2 4.4Å; Y589-W617 AromaticContact CD2-CZ3 3.53Å; Y589-W617 HydrophobicContact CD2-CZ3 3.53Å; Y589-W617 HydrophobicContact CE1-CE3 4.35Å; Y589-W617 HydrophobicContact CE2-CB 3.83Å; Y589-W617 AromaticContact CE2-CD2 3.74Å; Y589-W617 HydrophobicContact CE2-CD2 3.74Å; Y589-W617 AromaticContact CE2-CE3 3.28Å; Y589-W617 HydrophobicContact CE2-CE3 3.28Å; Y589-W617 HydrophobicContact CE2-CG 4Å; Y589-W617 AromaticContact CE2-CZ3 4Å; Y589-W617 HydrophobicContact CE2-CZ3 4Å; Y589-W617 AromaticContact CG-CE3 3.96Å; Y589-W617 HydrophobicContact CG-CE3 3.96Å; Y589-W617 AromaticContact CG-CZ3 3.87Å; Y589-W617 HydrophobicContact CG-CZ3 3.87Å; Y589-W617 AromaticContact CZ-CE3 3.81Å; Y589-I643 HydrophobicContact CD2-CD1 4.14Å; Y589-I643 HydrophobicContact CE2-CD1 4.37Å
590	P	95.1	Very high	93.2	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.058	18%	0.181	C	C	.	.	H	α-helix	trans	-58	-41.9	176.1	-25	34.8	0	0	0	113.1	S594 Q629 L630 F635	P590-S594 WeakPolarHBondContact O-CB 3.11Å; P590-S594 PolarHBondContact O-N 3.46Å; P590-S594 PolarHBondContact O-OG 3.25Å; P590-Q629 HydrophobicContact CB-CB 4.37Å; P590-Q629 HydrophobicContact CG-CB 4.02Å; P590-L630 HydrophobicContact CB-CD2 4.21Å; P590-L630 HydrophobicContact CG-CD2 3.89Å; P590-L630 HydrophobicContact CG-CG 4.42Å; P590-F635 HydrophobicContact CB-CE2 4.49Å; P590-F635 HydrophobicContact CB-CZ 4.07Å; P590-F635 WeakPolarHBondContact O-CZ 3.2Å
591	K	95.6	Very high	93.5	Very high	17 Å²	17	37.2 Å²	37.2	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-70.7	-38.6	179.2	-63.9	-178.3	-165.3	-74.1	0	111.7	I558 T561 D562 L567 L575 A588 Y589 S594 S595	I558-K591 HydrophobicContact CG2-CD 4.27Å; I558-K591 VanDerWaalsContact O-CD 3.24Å; I558-K591 WeakPolarHBondContact O-CD 3.4Å; I558-K591 WeakPolarHBondContact O-CE 3.38Å; T561-K591 WeakPolarHBondContact O-CE 2.91Å; T561-K591 PolarHBondContact O-NZ 3.02Å; T561-K591 VanDerWaalsContact OG1-CE 3.3Å; T561-K591 WeakPolarHBondContact OG1-CE 3.37Å; T561-K591 PolarHBondContact OG1-NZ 3.48Å; D562-K591 PolarHBondContact O-NZ 3.34Å; L567-K591 HydrophobicContact CD1-CB 3.95Å; L567-K591 HydrophobicContact CD1-CG 4.35Å; L567-K591 HydrophobicContact CD2-CD 4.27Å; L567-K591 HydrophobicContact CD2-CG 4.41Å; L575-K591 HydrophobicContact CD1-CB 3.95Å; A588-K591 PolarHBondContact O-N 3.43Å; A588-K591 VanDerWaalsContact O-N 3.09Å; Y589-K591 VanDerWaalsContact C-N 3.31Å; Y589-K591 PolarHBondContact O-N 3.21Å; K591-S594 WeakPolarHBondContact CA-OG 3.44Å; K591-S594 PolarHBondContact O-OG 3.19Å; K591-S595 PolarHBondContact O-N 2.64Å; K591-S595 PolarHBondContact O-OG 2.97Å
592	L	95.6	Very high	93.7	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-50	175.4	177.6	61.5	0	0	0	111.3	L575 R579 A588 Y589 S594 S595 V596 L610	L575-L592 HydrophobicContact CB-CD1 4.5Å; L575-L592 WeakPolarHBondContact O-CD1 3.36Å; R579-L592 HydrophobicContact CB-CD1 3.83Å; A588-L592 WeakPolarHBondContact O-CB 3.01Å; A588-L592 PolarHBondContact O-N 3.07Å; Y589-L592 PolarHBondContact O-N 3.41Å; L592-S594 VanDerWaalsContact C-N 3.34Å; L592-S594 PolarHBondContact O-N 2.81Å; L592-S595 WeakPolarHBondContact O-CA 3.19Å; L592-S595 VanDerWaalsContact O-CB 3.28Å; L592-S595 WeakPolarHBondContact O-CB 3.42Å; L592-S595 PolarHBondContact O-N 3.3Å; L592-V596 PolarHBondContact O-N 3.02Å; L592-L610 HydrophobicContact CD2-CD1 4.29Å; L592-L610 HydrophobicContact CD2-CD2 4.49Å
593	F	95.5	Very high	93.8	Very high	1 Å²	1	42 Å²	42	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-71.5	-27	-177.4	-61.5	-47	0	0	0	113.3	Y589 S595 V596 W598 T607 L610 L611 L630 F635 V640 I643	Y589-F593 AromaticContact CD2-CE2 3.61Å; Y589-F593 HydrophobicContact CD2-CE2 3.61Å; Y589-F593 AromaticContact CD2-CZ 3.91Å; Y589-F593 HydrophobicContact CD2-CZ 3.91Å; Y589-F593 HydrophobicContact CE2-CZ 4.46Å; Y589-F593 AromaticContact CG-CE2 3.98Å; Y589-F593 HydrophobicContact CG-CE2 3.98Å; Y589-F593 HydrophobicContact CG-CZ 4.42Å; Y589-F593 WeakPolarHBondContact O-CD2 3.28Å; Y589-F593 WeakPolarHBondContact O-CG 3.38Å; Y589-F593 PolarHBondContact O-N 2.99Å; F593-S595 PolarHBondContact O-N 3.41Å; F593-V596 WeakPolarHBondContact O-CB 3.33Å; F593-V596 PolarHBondContact O-N 3.19Å; F593-W598 PolarHBondContact O-NE1 3.24Å; F593-T607 HydrophobicContact CD1-CG2 4.15Å; F593-T607 HydrophobicContact CE1-CG2 4.2Å; F593-L610 HydrophobicContact CE1-CD2 4.19Å; F593-L611 HydrophobicContact CE1-CD2 3.94Å; F593-L611 HydrophobicContact CE1-CG 4.18Å; F593-L611 HydrophobicContact CE2-CD2 4.36Å; F593-L611 HydrophobicContact CZ-CD2 3.48Å; F593-L611 VanDerWaalsContact CZ-CD2 3.48Å; F593-L611 HydrophobicContact CZ-CG 4.22Å; F593-L630 HydrophobicContact CD2-CD2 4.03Å; F593-F635 HydrophobicContact CB-CD1 4.08Å; F593-F635 HydrophobicContact CB-CE1 3.66Å; F593-V640 HydrophobicContact CB-CG2 4.47Å; F593-V640 HydrophobicContact CD1-CG2 4.13Å; F593-V640 HydrophobicContact CD2-CG1 3.87Å; F593-V640 HydrophobicContact CD2-CG2 4.14Å; F593-V640 HydrophobicContact CE1-CG2 4.46Å; F593-V640 HydrophobicContact CE2-CG1 4.36Å; F593-V640 HydrophobicContact CE2-CG2 4.45Å; F593-V640 HydrophobicContact CG-CG1 4.35Å; F593-V640 HydrophobicContact CG-CG2 3.99Å; F593-I643 HydrophobicContact CE2-CD1 4.15Å; F593-I643 HydrophobicContact CZ-CD1 4.43Å
594	S	94.4	Very high	94	Very high	41 Å²	41	42.1 Å²	42.1	29%	0.287	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.9	170.1	59.1	0	0	0	0	113.9	K572 P590 K591 L592	K572-S594 PolarHBondContact NZ-O 3.09Å; K572-S594 VanDerWaalsContact NZ-O 3.15Å; P590-S594 WeakPolarHBondContact O-CB 3.11Å; P590-S594 PolarHBondContact O-N 3.46Å; P590-S594 PolarHBondContact O-OG 3.25Å; K591-S594 WeakPolarHBondContact CA-OG 3.44Å; K591-S594 PolarHBondContact O-OG 3.19Å; L592-S594 VanDerWaalsContact C-N 3.34Å; L592-S594 PolarHBondContact O-N 2.81Å
595	S	95.3	Very high	94.1	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.063	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-10	172.5	-55.8	0	0	0	0	113.2	K572 L575 K591 L592 F593	K572-S595 WeakPolarHBondContact CA-OG 3.5Å; L575-S595 WeakPolarHBondContact CD1-OG 3.44Å; K591-S595 PolarHBondContact O-N 2.64Å; K591-S595 PolarHBondContact O-OG 2.97Å; L592-S595 WeakPolarHBondContact O-CA 3.19Å; L592-S595 VanDerWaalsContact O-CB 3.28Å; L592-S595 WeakPolarHBondContact O-CB 3.42Å; L592-S595 PolarHBondContact O-N 3.3Å; F593-S595 PolarHBondContact O-N 3.41Å
596	V	95.5	Very high	94	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.018	19%	0.188	C	C	.	.	S	Bend	trans	-69.5	131.5	178.6	177.2	0	0	0	0	110.1	W576 L592 F593 W598 I603 T607	W576-V596 HydrophobicContact CE3-CG2 4.11Å; W576-V596 HydrophobicContact CZ3-CG2 3.76Å; L592-V596 PolarHBondContact O-N 3.02Å; F593-V596 WeakPolarHBondContact O-CB 3.33Å; F593-V596 PolarHBondContact O-N 3.19Å; V596-W598 HydrophobicContact CB-CD2 4.26Å; V596-W598 HydrophobicContact CB-CZ2 4Å; V596-W598 HydrophobicContact CG1-CD2 3.76Å; V596-W598 HydrophobicContact CG1-CE3 4.12Å; V596-W598 HydrophobicContact CG1-CG 4.17Å; V596-W598 HydrophobicContact CG1-CH2 4.37Å; V596-W598 HydrophobicContact CG1-CZ2 4.04Å; V596-W598 HydrophobicContact CG1-CZ3 4.41Å; V596-W598 HydrophobicContact CG2-CZ2 4.32Å; V596-W598 PolarHBondContact O-N 3.4Å; V596-W598 VanDerWaalsContact O-N 3.11Å; V596-I603 HydrophobicContact CG1-CG2 3.97Å; V596-T607 WeakPolarHBondContact CG1-OG1 3.41Å; V596-T607 HydrophobicContact CG2-CG2 4.16Å
597	K	95.3	Very high	94	Very high	107 Å²	107	36.1 Å²	36.1	47%	0.465	18%	0.178	S	C	.	.			trans	-82.5	82.7	171.6	-64.5	179.8	-178.3	176.6	0	109.5	G599 Q600 I603	K597-G599 PolarHBondContact O-N 2.97Å; K597-Q600 PolarHBondContact O-N 2.64Å; K597-I603 HydrophobicContact CB-CD1 3.89Å; K597-I603 HydrophobicContact CB-CG2 4.32Å; K597-I603 HydrophobicContact CD-CD1 4.05Å; K597-I603 HydrophobicContact CG-CD1 4.36Å
598	W	95.8	Very high	93.9	Very high	10 Å²	10	32 Å²	32	4%	0.038	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.3	-173.9	-65.8	101.7	0	0	0	115	H389 P424 F593 V596 Q600 V604 T607 D637 V640	H389-W598 AromaticContact CE1-CD2 3.46Å; H389-W598 VanDerWaalsContact CE1-CD2 3.46Å; H389-W598 AromaticContact CE1-CE3 3.62Å; H389-W598 AromaticContact CE1-CG 3.64Å; H389-W598 AromaticContact ND1-CD1 3.76Å; H389-W598 AromaticContact ND1-CD2 3.73Å; H389-W598 AromaticContact ND1-CG 3.37Å; P424-W598 HydrophobicContact CG-CB 4.43Å; F593-W598 PolarHBondContact O-NE1 3.24Å; V596-W598 HydrophobicContact CB-CD2 4.26Å; V596-W598 HydrophobicContact CB-CZ2 4Å; V596-W598 HydrophobicContact CG1-CD2 3.76Å; V596-W598 HydrophobicContact CG1-CE3 4.12Å; V596-W598 HydrophobicContact CG1-CG 4.17Å; V596-W598 HydrophobicContact CG1-CH2 4.37Å; V596-W598 HydrophobicContact CG1-CZ2 4.04Å; V596-W598 HydrophobicContact CG1-CZ3 4.41Å; V596-W598 HydrophobicContact CG2-CZ2 4.32Å; V596-W598 PolarHBondContact O-N 3.4Å; V596-W598 VanDerWaalsContact O-N 3.11Å; W598-Q600 PolarHBondContact O-N 3.23Å; W598-V604 HydrophobicContact CE3-CG1 4.48Å; W598-V604 HydrophobicContact CE3-CG2 3.91Å; W598-V604 HydrophobicContact CZ3-CG1 4.39Å; W598-V604 WeakPolarHBondContact O-CG2 3.45Å; W598-T607 HydrophobicContact CH2-CG2 4.28Å; W598-D637 HydrophobicContact CE3-CB 4.43Å; W598-D637 HydrophobicContact CH2-CB 3.48Å; W598-D637 VanDerWaalsContact CH2-CB 3.48Å; W598-D637 HydrophobicContact CZ2-CB 4.2Å; W598-D637 HydrophobicContact CZ3-CB 3.62Å; W598-D637 WeakPolarHBondContact CZ3-OD2 3.44Å; W598-V640 HydrophobicContact CH2-CG2 4.03Å; W598-V640 HydrophobicContact CZ2-CG2 4.42Å
599	G	95.4	Very high	93.5	Very high	19 Å²	19	33.2 Å²	33.2	20%	0.196	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	27.9	174.6	0	0	0	0	0	114.7	D422 K597	D422-G599 CarbonylContact O-C 3.57Å; K597-G599 PolarHBondContact O-N 2.97Å
600	Q	95.4	Very high	93.1	Very high	89 Å²	89	33.2 Å²	33.2	42%	0.416	17%	0.165	S	C	.	.			trans	-139.9	112.7	176	-65.9	-174	8.9	0	0	109.9	K597 W598 E602 I603 V604	K597-Q600 PolarHBondContact O-N 2.64Å; W598-Q600 PolarHBondContact O-N 3.23Å; Q600-E602 VanDerWaalsContact C-N 3.34Å; Q600-E602 PolarHBondContact O-N 3.03Å; Q600-I603 HydrophobicContact CB-CB 4.17Å; Q600-I603 HydrophobicContact CB-CD1 4.25Å; Q600-I603 HydrophobicContact CB-CG1 4.25Å; Q600-I603 PolarHBondContact O-N 3.47Å; Q600-I603 VanDerWaalsContact O-N 3.11Å; Q600-V604 WeakPolarHBondContact O-CG2 3.21Å; Q600-V604 PolarHBondContact O-N 3.39Å; Q600-V604 VanDerWaalsContact O-N 3.11Å
601	Q	93.8	Very high	92.8	Very high	43 Å²	43	33.4 Å²	33.4	20%	0.201	17%	0.166	C	C	.	.	H	α-helix	trans	-58.4	-41.8	-173	173.2	-90.7	-31	0	0	113.2	W355 K421 D422 I603 V604 A605	W355-Q601 HydrophobicContact CD2-CG 4.22Å; W355-Q601 HydrophobicContact CG-CG 4.14Å; W355-Q601 HydrophobicContact CZ2-CG 4.4Å; K421-Q601 WeakPolarHBondContact O-CB 3.5Å; D422-Q601 PolarHBondContact OD1-N 3.38Å; Q601-I603 VanDerWaalsContact C-N 3.29Å; Q601-I603 PolarHBondContact O-N 3.47Å; Q601-V604 PolarHBondContact O-N 3.25Å; Q601-A605 WeakPolarHBondContact O-CB 3.37Å; Q601-A605 PolarHBondContact O-N 3.39Å
602	E	91.4	Very high	92.2	Very high	135 Å²	135	35.5 Å²	35.5	63%	0.631	19%	0.186	S	C	*	.	H	α-helix	trans	-63.5	-33.7	179.4	-61.5	177.3	-169.1	0	0	113	Q600 K606	Q600-E602 VanDerWaalsContact C-N 3.34Å; Q600-E602 PolarHBondContact O-N 3.03Å; E602-K606 WeakPolarHBondContact O-CG 3.32Å; E602-K606 PolarHBondContact O-N 3.34Å
603	I	93.2	Very high	91.5	Very high	22 Å²	22	39.9 Å²	39.9	11%	0.113	20%	0.202	C	C	.	.	H	α-helix	trans	-76	-44.4	178.8	-71.2	-174.7	0	0	0	110.1	W576 V596 K597 Q600 Q601 A605 K606 T607	W576-I603 HydrophobicContact CH2-CG2 3.89Å; W576-I603 HydrophobicContact CZ2-CB 4.37Å; W576-I603 HydrophobicContact CZ2-CG2 3.59Å; V596-I603 HydrophobicContact CG1-CG2 3.97Å; K597-I603 HydrophobicContact CB-CD1 3.89Å; K597-I603 HydrophobicContact CB-CG2 4.32Å; K597-I603 HydrophobicContact CD-CD1 4.05Å; K597-I603 HydrophobicContact CG-CD1 4.36Å; Q600-I603 HydrophobicContact CB-CB 4.17Å; Q600-I603 HydrophobicContact CB-CD1 4.25Å; Q600-I603 HydrophobicContact CB-CG1 4.25Å; Q600-I603 PolarHBondContact O-N 3.47Å; Q600-I603 VanDerWaalsContact O-N 3.11Å; Q601-I603 VanDerWaalsContact C-N 3.29Å; Q601-I603 PolarHBondContact O-N 3.47Å; I603-A605 VanDerWaalsContact C-N 3.27Å; I603-A605 PolarHBondContact O-N 2.97Å; I603-K606 WeakPolarHBondContact O-CB 3.32Å; I603-K606 PolarHBondContact O-N 2.89Å; I603-K606 VanDerWaalsContact O-N 3.16Å; I603-T607 PolarHBondContact O-N 3.25Å; I603-T607 PolarHBondContact O-OG1 3.29Å
604	V	92.9	Very high	90.9	Very high	16 Å²	16	44.2 Å²	44.2	10%	0.097	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-41	175.5	176.2	0	0	0	0	110.8	W598 Q600 Q601 K606 T607 Y608	W598-V604 HydrophobicContact CE3-CG1 4.48Å; W598-V604 HydrophobicContact CE3-CG2 3.91Å; W598-V604 HydrophobicContact CZ3-CG1 4.39Å; W598-V604 WeakPolarHBondContact O-CG2 3.45Å; Q600-V604 WeakPolarHBondContact O-CG2 3.21Å; Q600-V604 PolarHBondContact O-N 3.39Å; Q600-V604 VanDerWaalsContact O-N 3.11Å; Q601-V604 PolarHBondContact O-N 3.25Å; V604-K606 PolarHBondContact O-N 3.48Å; V604-T607 WeakPolarHBondContact O-CB 3.25Å; V604-T607 PolarHBondContact O-N 3.3Å; V604-T607 VanDerWaalsContact O-N 3.14Å; V604-Y608 HydrophobicContact CG1-CE1 4.02Å; V604-Y608 HydrophobicContact CG1-CE2 4.06Å; V604-Y608 PolarHBondContact O-N 3.36Å
605	A	89.7	Confident	90.5	Very high	13 Å²	13	49.2 Å²	49.2	11%	0.107	24%	0.238	C	C	.	.	H	α-helix	trans	-56.3	-48.3	174	0	0	0	0	0	112.4	H532 Q601 I603 T607 Y608 Q609	H532-A605 VanDerWaalsContact NE2-CA 3.26Å; H532-A605 WeakPolarHBondContact NE2-CA 3.44Å; H532-A605 WeakPolarHBondContact NE2-CB 3.46Å; H532-A605 PolarHBondContact NE2-O 3.18Å; Q601-A605 WeakPolarHBondContact O-CB 3.37Å; Q601-A605 PolarHBondContact O-N 3.39Å; I603-A605 VanDerWaalsContact C-N 3.27Å; I603-A605 PolarHBondContact O-N 2.97Å; A605-T607 VanDerWaalsContact C-N 3.31Å; A605-T607 PolarHBondContact O-N 3.1Å; A605-Y608 PolarHBondContact O-N 2.97Å; A605-Q609 WeakPolarHBondContact O-CG 3.2Å; A605-Q609 PolarHBondContact O-N 3.23Å
606	K	89.6	Confident	90.2	Very high	85 Å²	85	51.8 Å²	51.8	37%	0.37	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-35.9	175.1	-72.5	173	179.3	174.4	0	112.8	W576 E602 I603 V604 Y608 Q609 L610	W576-K606 HydrophobicContact CH2-CB 4.22Å; W576-K606 HydrophobicContact CZ2-CB 4.2Å; E602-K606 WeakPolarHBondContact O-CG 3.32Å; E602-K606 PolarHBondContact O-N 3.34Å; I603-K606 WeakPolarHBondContact O-CB 3.32Å; I603-K606 PolarHBondContact O-N 2.89Å; I603-K606 VanDerWaalsContact O-N 3.16Å; V604-K606 PolarHBondContact O-N 3.48Å; K606-Y608 VanDerWaalsContact C-N 3.34Å; K606-Q609 PolarHBondContact O-N 3.24Å; K606-L610 WeakPolarHBondContact O-CB 3.31Å; K606-L610 PolarHBondContact O-N 2.99Å
607	T	92.2	Very high	89.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-42.5	174.6	-57.6	0	0	0	0	111.3	W576 F593 V596 W598 I603 V604 A605 L610 L611	W576-T607 VanDerWaalsContact CH2-OG1 3.32Å; W576-T607 WeakPolarHBondContact CH2-OG1 3.42Å; F593-T607 HydrophobicContact CD1-CG2 4.15Å; F593-T607 HydrophobicContact CE1-CG2 4.2Å; V596-T607 WeakPolarHBondContact CG1-OG1 3.41Å; V596-T607 HydrophobicContact CG2-CG2 4.16Å; W598-T607 HydrophobicContact CH2-CG2 4.28Å; I603-T607 PolarHBondContact O-N 3.25Å; I603-T607 PolarHBondContact O-OG1 3.29Å; V604-T607 WeakPolarHBondContact O-CB 3.25Å; V604-T607 PolarHBondContact O-N 3.3Å; V604-T607 VanDerWaalsContact O-N 3.14Å; A605-T607 VanDerWaalsContact C-N 3.31Å; A605-T607 PolarHBondContact O-N 3.1Å; T607-L610 WeakPolarHBondContact O-CB 3.46Å; T607-L610 PolarHBondContact O-N 3.13Å; T607-L611 HydrophobicContact CG2-CD1 4.3Å; T607-L611 WeakPolarHBondContact O-CG 3.26Å; T607-L611 PolarHBondContact O-N 3.46Å
608	Y	90.2	Very high	89.6	Confident	50 Å²	50	49.6 Å²	49.6	20%	0.196	25%	0.246	C	C	.	.	H	α-helix	trans	-69.7	-35.6	177.8	-65.9	-6.9	0	0	0	112.7	H532 V604 A605 K606 L610 L611 A612 D637 N639	H532-Y608 HydrophobicContact CB-CD2 4.12Å; H532-Y608 AromaticContact CD2-CD2 3.83Å; V604-Y608 HydrophobicContact CG1-CE1 4.02Å; V604-Y608 HydrophobicContact CG1-CE2 4.06Å; V604-Y608 PolarHBondContact O-N 3.36Å; A605-Y608 PolarHBondContact O-N 2.97Å; K606-Y608 VanDerWaalsContact C-N 3.34Å; Y608-L610 VanDerWaalsContact C-N 3.28Å; Y608-L610 PolarHBondContact O-N 3.25Å; Y608-L611 HydrophobicContact CD1-CD1 4.31Å; Y608-L611 PolarHBondContact O-N 3.17Å; Y608-A612 PolarHBondContact O-N 3.16Å; Y608-D637 WeakPolarHBondContact CE1-OD2 3.49Å; Y608-D637 PolarHBondContact OH-OD2 2.87Å; Y608-N639 HydrophobicContact CD1-CB 4.42Å; Y608-N639 WeakPolarHBondContact CD1-ND2 3.47Å; Y608-N639 HydrophobicContact CE1-CB 4.22Å; Y608-N639 WeakPolarHBondContact CE1-ND2 3.49Å; Y608-N639 VanDerWaalsContact CZ-ND2 3.27Å
609	Q	86.7	Confident	89.4	Confident	26 Å²	26	56.9 Å²	56.9	12%	0.121	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-39.6	170.7	-69.2	169.8	-13.8	0	0	111.7	T535 A605 K606 A612	T535-Q609 PolarHBondContact O-NE2 3.43Å; T535-Q609 PolarHBondContact OG1-NE2 3.17Å; T535-Q609 VanDerWaalsContact OG1-NE2 3.12Å; A605-Q609 WeakPolarHBondContact O-CG 3.2Å; A605-Q609 PolarHBondContact O-N 3.23Å; K606-Q609 PolarHBondContact O-N 3.24Å; Q609-A612 WeakPolarHBondContact O-CB 3.47Å; Q609-A612 PolarHBondContact O-N 3.28Å
610	L	87.2	Confident	89.2	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-44.5	175.3	172.5	155.2	0	0	0	111.7	R579 L583 L592 F593 K606 T607 Y608 A612 R613	R579-L610 HydrophobicContact CB-CD1 3.63Å; R579-L610 HydrophobicContact CG-CD1 3.72Å; L583-L610 HydrophobicContact CD1-CD2 3.43Å; L583-L610 VanDerWaalsContact CD1-CD2 3.43Å; L583-L610 HydrophobicContact CD1-CG 4.02Å; L583-L610 HydrophobicContact CD2-CD2 4.28Å; L583-L610 HydrophobicContact CD2-CG 4.04Å; L583-L610 HydrophobicContact CG-CD2 4.46Å; L592-L610 HydrophobicContact CD2-CD1 4.29Å; L592-L610 HydrophobicContact CD2-CD2 4.49Å; F593-L610 HydrophobicContact CE1-CD2 4.19Å; K606-L610 WeakPolarHBondContact O-CB 3.31Å; K606-L610 PolarHBondContact O-N 2.99Å; T607-L610 WeakPolarHBondContact O-CB 3.46Å; T607-L610 PolarHBondContact O-N 3.13Å; Y608-L610 VanDerWaalsContact C-N 3.28Å; Y608-L610 PolarHBondContact O-N 3.25Å; L610-A612 PolarHBondContact O-N 3.24Å; L610-R613 PolarHBondContact O-N 3.37Å
611	L	87.5	Confident	89	Confident	13 Å²	13	57.5 Å²	57.5	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-24.6	175.7	-77.7	171.1	0	0	0	113.4	F593 T607 Y608 R613 R614 N639 V640 I643	F593-L611 HydrophobicContact CE1-CD2 3.94Å; F593-L611 HydrophobicContact CE1-CG 4.18Å; F593-L611 HydrophobicContact CE2-CD2 4.36Å; F593-L611 HydrophobicContact CZ-CD2 3.48Å; F593-L611 VanDerWaalsContact CZ-CD2 3.48Å; F593-L611 HydrophobicContact CZ-CG 4.22Å; T607-L611 HydrophobicContact CG2-CD1 4.3Å; T607-L611 WeakPolarHBondContact O-CG 3.26Å; T607-L611 PolarHBondContact O-N 3.46Å; Y608-L611 HydrophobicContact CD1-CD1 4.31Å; Y608-L611 PolarHBondContact O-N 3.17Å; L611-R613 PolarHBondContact O-N 3.47Å; L611-R614 WeakPolarHBondContact O-CB 3.26Å; L611-R614 WeakPolarHBondContact O-CG 3.39Å; L611-N639 HydrophobicContact CD1-CB 3.93Å; L611-V640 HydrophobicContact CD1-CG2 4.14Å; L611-I643 HydrophobicContact CD2-CD1 3.71Å; L611-I643 HydrophobicContact CD2-CG1 4.5Å; L611-I643 HydrophobicContact CD2-CG2 4.46Å
612	A	83.4	Confident	88.8	Confident	61 Å²	61	58.3 Å²	58.3	50%	0.504	30%	0.302	S	S	.	.	H	α-helix	trans	-65.9	-24.1	172.5	0	0	0	0	0	112.5	P534 Y608 Q609 L610 R614	P534-A612 HydrophobicContact CB-CB 4.44Å; Y608-A612 PolarHBondContact O-N 3.16Å; Q609-A612 WeakPolarHBondContact O-CB 3.47Å; Q609-A612 PolarHBondContact O-N 3.28Å; L610-A612 PolarHBondContact O-N 3.24Å; A612-R614 PolarHBondContact O-N 3.49Å
613	R	81.4	Confident	88.9	Confident	93 Å²	93	55 Å²	55	35%	0.351	29%	0.289	S	S	.	.			trans	-98.9	54.6	177.9	-61.9	-176.1	179.8	-167.5	-2.6	111.8	D541 L583 L610 L611 E615	D541-R613 VanDerWaalsContact CG-NH1 3.25Å; D541-R613 IonicContact OD1-CZ 3.65Å; D541-R613 IonicContact OD1-NH1 2.77Å; D541-R613 PolarHBondContact OD1-NH1 3.49Å; D541-R613 IonicContact OD1-NH2 2.72Å; D541-R613 IonicContact OD2-CZ 2.77Å; D541-R613 IonicContact OD2-NH1 2.74Å; D541-R613 PolarHBondContact OD2-NH1 3.2Å; D541-R613 VanDerWaalsContact OD2-NH1 3.16Å; D541-R613 IonicContact OD2-NH2 3.29Å; D541-R613 PolarHBondContact OD2-NH2 3.4Å; L583-R613 WeakPolarHBondContact CD2-O 3.24Å; L610-R613 PolarHBondContact O-N 3.37Å; L611-R613 PolarHBondContact O-N 3.47Å; R613-E615 PolarHBondContact O-N 3.38Å
614	R	81.9	Confident	88.9	Confident	92 Å²	92	54.9 Å²	54.9	35%	0.347	29%	0.289	S	S	.	.			trans	-91.8	20.5	-172.6	60.7	173.9	-172.6	-153.7	1.6	115.1	L611 A612 V616 W617 D618 Q646	L611-R614 WeakPolarHBondContact O-CB 3.26Å; L611-R614 WeakPolarHBondContact O-CG 3.39Å; A612-R614 PolarHBondContact O-N 3.49Å; R614-V616 VanDerWaalsContact C-N 3.3Å; R614-V616 PolarHBondContact O-N 3.39Å; R614-W617 HydrophobicContact CB-CB 4.18Å; R614-W617 CarbonylContact O-C 3.56Å; R614-W617 WeakPolarHBondContact O-CA 3.48Å; R614-W617 WeakPolarHBondContact O-CB 3.5Å; R614-W617 PolarHBondContact O-N 3.32Å; R614-D618 WeakPolarHBondContact CG-OD2 3.16Å; R614-D618 IonicContact NE-OD1 3.86Å; R614-D618 IonicContact NE-OD2 2.67Å; R614-D618 PolarHBondContact NE-OD2 3.03Å; R614-D618 PolarHBondContact O-N 3.41Å; R614-Q646 VanDerWaalsContact CZ-OE1 3.23Å
615	E	86.5	Confident	88.8	Confident	147 Å²	147	54.1 Å²	54.1	69%	0.687	29%	0.285	S	S	*	.	H	α-helix	trans	-55	-43.1	-177.4	-64.2	177.3	-176.6	0	0	113	R613 D618 Q619	R613-E615 PolarHBondContact O-N 3.38Å; E615-D618 PolarHBondContact O-N 3.26Å; E615-Q619 WeakPolarHBondContact O-CB 3.45Å; E615-Q619 WeakPolarHBondContact O-CG 3.44Å; E615-Q619 PolarHBondContact O-N 2.91Å
616	V	88.3	Confident	89	Confident	62 Å²	62	54 Å²	54	38%	0.376	28%	0.283	S	S	.	.	H	α-helix	trans	-64.2	-41.4	176.9	179.2	0	0	0	0	111.3	P586 R614 S620	P586-V616 HydrophobicContact CG-CG1 4.29Å; R614-V616 VanDerWaalsContact C-N 3.3Å; R614-V616 PolarHBondContact O-N 3.39Å; V616-S620 WeakPolarHBondContact O-CB 3.4Å; V616-S620 PolarHBondContact O-N 3.25Å; V616-S620 VanDerWaalsContact O-N 3.11Å
617	W	90.6	Very high	89.2	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-54.7	173.7	179.3	-99.9	0	0	0	109.8	P586 Y589 R614 Q619 S620 L626 L630 I643 K647	P586-W617 HydrophobicContact CB-CE3 4.26Å; P586-W617 HydrophobicContact CB-CZ3 4.4Å; Y589-W617 HydrophobicContact CD1-CE3 4.42Å; Y589-W617 HydrophobicContact CD2-CD2 4.05Å; Y589-W617 AromaticContact CD2-CE3 3.34Å; Y589-W617 HydrophobicContact CD2-CE3 3.34Å; Y589-W617 HydrophobicContact CD2-CH2 4.4Å; Y589-W617 AromaticContact CD2-CZ3 3.53Å; Y589-W617 HydrophobicContact CD2-CZ3 3.53Å; Y589-W617 HydrophobicContact CE1-CE3 4.35Å; Y589-W617 HydrophobicContact CE2-CB 3.83Å; Y589-W617 AromaticContact CE2-CD2 3.74Å; Y589-W617 HydrophobicContact CE2-CD2 3.74Å; Y589-W617 AromaticContact CE2-CE3 3.28Å; Y589-W617 HydrophobicContact CE2-CE3 3.28Å; Y589-W617 HydrophobicContact CE2-CG 4Å; Y589-W617 AromaticContact CE2-CZ3 4Å; Y589-W617 HydrophobicContact CE2-CZ3 4Å; Y589-W617 AromaticContact CG-CE3 3.96Å; Y589-W617 HydrophobicContact CG-CE3 3.96Å; Y589-W617 AromaticContact CG-CZ3 3.87Å; Y589-W617 HydrophobicContact CG-CZ3 3.87Å; Y589-W617 AromaticContact CZ-CE3 3.81Å; R614-W617 HydrophobicContact CB-CB 4.18Å; R614-W617 CarbonylContact O-C 3.56Å; R614-W617 WeakPolarHBondContact O-CA 3.48Å; R614-W617 WeakPolarHBondContact O-CB 3.5Å; R614-W617 PolarHBondContact O-N 3.32Å; W617-Q619 VanDerWaalsContact C-N 3.26Å; W617-Q619 PolarHBondContact O-N 3.3Å; W617-S620 WeakPolarHBondContact O-CB 3.27Å; W617-S620 PolarHBondContact O-N 2.99Å; W617-S620 PolarHBondContact O-OG 2.98Å; W617-L626 HydrophobicContact CH2-CD2 3.21Å; W617-L626 HydrophobicContact CZ2-CD2 4.46Å; W617-L626 HydrophobicContact CZ3-CD2 3.35Å; W617-L630 HydrophobicContact CH2-CD1 3.52Å; W617-L630 HydrophobicContact CZ2-CD1 3.98Å; W617-L630 HydrophobicContact CZ3-CD1 4.31Å; W617-I643 HydrophobicContact CD2-CD1 4.45Å; W617-I643 HydrophobicContact CZ2-CD1 4.39Å; W617-I643 PolarHBondContact NE1-O 3.05Å; W617-K647 HydrophobicContact CZ2-CG 3.65Å; W617-K647 WeakPolarHBondContact O-CE 3.41Å; W617-K647 PolarHBondContact O-NZ 3.03Å
618	D	89.5	Confident	89.3	Confident	62 Å²	62	50.1 Å²	50.1	33%	0.332	27%	0.266	S	S	.	.	H	α-helix	trans	-56.4	-40	-175.3	-71.7	-17.6	0	0	0	111.9	R614 E615 Q646 K647	R614-D618 WeakPolarHBondContact CG-OD2 3.16Å; R614-D618 IonicContact NE-OD1 3.86Å; R614-D618 IonicContact NE-OD2 2.67Å; R614-D618 PolarHBondContact NE-OD2 3.03Å; R614-D618 PolarHBondContact O-N 3.41Å; E615-D618 PolarHBondContact O-N 3.26Å; D618-Q646 PolarHBondContact OD1-NE2 2.72Å; D618-K647 PolarHBondContact O-NZ 3.02Å
619	Q	90.3	Very high	89.5	Confident	164 Å²	164	48.7 Å²	48.7	77%	0.766	26%	0.261	S	S	*	.	H	α-helix	trans	-79.2	-14.8	177.1	-66.7	175	8.6	0	0	114.6	E615 W617	E615-Q619 WeakPolarHBondContact O-CB 3.45Å; E615-Q619 WeakPolarHBondContact O-CG 3.44Å; E615-Q619 PolarHBondContact O-N 2.91Å; W617-Q619 VanDerWaalsContact C-N 3.26Å; W617-Q619 PolarHBondContact O-N 3.3Å
620	S	91.4	Very high	89.9	Confident	30 Å²	30	47.5 Å²	47.5	21%	0.21	26%	0.255	C	S	.	.	S	Bend	trans	-63.2	147	-179.1	83.4	0	0	0	0	111.7	V616 W617 K647	V616-S620 WeakPolarHBondContact O-CB 3.4Å; V616-S620 PolarHBondContact O-N 3.25Å; V616-S620 VanDerWaalsContact O-N 3.11Å; W617-S620 WeakPolarHBondContact O-CB 3.27Å; W617-S620 PolarHBondContact O-N 2.99Å; W617-S620 PolarHBondContact O-OG 2.98Å; S620-K647 PolarHBondContact O-NZ 2.95Å; S620-K647 WeakPolarHBondContact OG-CE 3.26Å; S620-K647 PolarHBondContact OG-NZ 3.13Å
621	A	90.9	Very high	90.3	Very high	90 Å²	90	47.4 Å²	47.4	74%	0.744	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-57	150.2	166.4	0	0	0	0	0	110.4	D623	A621-D623 PolarHBondContact O-N 3.34Å
622	L	90.1	Very high	90.5	Very high	61 Å²	61	47.3 Å²	47.3	32%	0.319	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-68	120.9	173.5	175.7	64.6	0	0	0	109.6	V624 K647 L651	L622-V624 HydrophobicContact CD2-CG2 4.45Å; L622-V624 HydrophobicContact CG-CG2 4.38Å; L622-K647 HydrophobicContact CD1-CB 3.87Å; L622-L651 HydrophobicContact CD2-CD2 3.39Å; L622-L651 HydrophobicContact CD2-CG 3.73Å
623	D	93.4	Very high	90.7	Very high	64 Å²	64	44.6 Å²	44.6	34%	0.342	23%	0.232	S	C	.	.			trans	-116.3	108.1	167.7	-179.4	-29.4	0	0	0	107.2	A621 G625 L626 T627	A621-D623 PolarHBondContact O-N 3.34Å; D623-G625 PolarHBondContact OD1-N 3.33Å; D623-L626 HydrophobicContact CB-CB 3.79Å; D623-L626 PolarHBondContact O-N 3.32Å; D623-L626 PolarHBondContact OD1-N 3.16Å; D623-T627 WeakPolarHBondContact O-CB 3.26Å; D623-T627 PolarHBondContact O-N 3.17Å; D623-T627 PolarHBondContact O-OG1 3.31Å
624	V	92.3	Very high	91	Very high	20 Å²	20	43.4 Å²	43.4	12%	0.121	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-42.7	-176.6	-179.5	0	0	0	0	110.7	L622 L626 T627 M628 L651 Y659 L1026	L622-V624 HydrophobicContact CD2-CG2 4.45Å; L622-V624 HydrophobicContact CG-CG2 4.38Å; V624-L626 VanDerWaalsContact C-N 3.3Å; V624-L626 PolarHBondContact O-N 3.48Å; V624-T627 PolarHBondContact O-N 3.43Å; V624-M628 HydrophobicContact CG1-CG 3.98Å; V624-M628 WeakPolarHBondContact O-CB 3.43Å; V624-M628 WeakPolarHBondContact O-CG 3.43Å; V624-M628 PolarHBondContact O-N 2.89Å; V624-L651 HydrophobicContact CG2-CD2 3.93Å; V624-Y659 HydrophobicContact CB-CE2 4.36Å; V624-Y659 HydrophobicContact CG1-CD1 4.09Å; V624-Y659 HydrophobicContact CG1-CD2 3.91Å; V624-Y659 HydrophobicContact CG1-CE1 3.96Å; V624-Y659 HydrophobicContact CG1-CE2 3.81Å; V624-Y659 HydrophobicContact CG1-CG 4.07Å; V624-Y659 HydrophobicContact CG2-CE2 4.06Å; V624-L1026 HydrophobicContact CB-CD1 4.43Å; V624-L1026 HydrophobicContact CG1-CD1 4.2Å
625	G	91.3	Very high	91.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-39.4	-179.4	0	0	0	0	0	111.8	D623 Q629	D623-G625 PolarHBondContact OD1-N 3.33Å; G625-Q629 WeakPolarHBondContact O-CG 3.31Å; G625-Q629 PolarHBondContact O-N 3.07Å; G625-Q629 PolarHBondContact O-NE2 3.46Å
626	L	93.5	Very high	92	Very high	11 Å²	11	33.2 Å²	33.2	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-67.2	-44.4	174.3	-170.3	157.7	0	0	0	112	P586 K587 W617 D623 V624 M628 Q629	P586-L626 HydrophobicContact CB-CD1 4.49Å; K587-L626 HydrophobicContact CB-CD1 4.28Å; K587-L626 HydrophobicContact CG-CD1 3.89Å; W617-L626 HydrophobicContact CH2-CD2 3.21Å; W617-L626 HydrophobicContact CZ2-CD2 4.46Å; W617-L626 HydrophobicContact CZ3-CD2 3.35Å; D623-L626 HydrophobicContact CB-CB 3.79Å; D623-L626 PolarHBondContact O-N 3.32Å; D623-L626 PolarHBondContact OD1-N 3.16Å; V624-L626 VanDerWaalsContact C-N 3.3Å; V624-L626 PolarHBondContact O-N 3.48Å; L626-M628 VanDerWaalsContact C-N 3.34Å; L626-M628 PolarHBondContact O-N 2.98Å; L626-Q629 WeakPolarHBondContact O-CB 3.14Å; L626-Q629 PolarHBondContact O-N 3.29Å
627	T	95.6	Very high	92.4	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-41.9	-178.7	-56.2	0	0	0	0	111.2	D623 V624 Q629 L630 A644 K647 L648	D623-T627 WeakPolarHBondContact O-CB 3.26Å; D623-T627 PolarHBondContact O-N 3.17Å; D623-T627 PolarHBondContact O-OG1 3.31Å; V624-T627 PolarHBondContact O-N 3.43Å; T627-Q629 VanDerWaalsContact C-N 3.3Å; T627-Q629 PolarHBondContact O-N 2.98Å; T627-L630 PolarHBondContact O-N 3.27Å; T627-A644 HydrophobicContact CG2-CB 3.89Å; T627-A644 WeakPolarHBondContact CG2-O 3.29Å; T627-K647 HydrophobicContact CG2-CB 4.13Å; T627-L648 HydrophobicContact CG2-CD1 4.49Å; T627-L648 HydrophobicContact CG2-CD2 3.56Å; T627-L648 HydrophobicContact CG2-CG 3.7Å
628	M	93.6	Very high	92.6	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-31.3	177.3	-67.2	-62.8	-84.5	0	0	112.5	V624 L626 L630 L631 D632 Q662 L663 I1029 M1033	V624-M628 HydrophobicContact CG1-CG 3.98Å; V624-M628 WeakPolarHBondContact O-CB 3.43Å; V624-M628 WeakPolarHBondContact O-CG 3.43Å; V624-M628 PolarHBondContact O-N 2.89Å; L626-M628 VanDerWaalsContact C-N 3.34Å; L626-M628 PolarHBondContact O-N 2.98Å; M628-L630 VanDerWaalsContact C-N 3.3Å; M628-L630 PolarHBondContact O-N 3.32Å; M628-L631 PolarHBondContact O-N 3.42Å; M628-L631 HydrophobicContact SD-CD1 4.47Å; M628-D632 PolarHBondContact O-N 3.06Å; M628-Q662 HydrophobicContact CE-CB 3.58Å; M628-L663 HydrophobicContact CE-CD2 4.03Å; M628-L663 HydrophobicContact CE-CG 4.32Å; M628-L663 HydrophobicContact SD-CD2 3.53Å; M628-L663 VanDerWaalsContact SD-CD2 3.53Å; M628-L663 HydrophobicContact SD-CG 4.33Å; M628-I1029 HydrophobicContact CB-CG1 4.08Å; M628-I1029 HydrophobicContact CB-CG2 3.98Å; M628-M1033 HydrophobicContact CB-SD 3.93Å; M628-M1033 HydrophobicContact CE-CE 3.68Å; M628-M1033 HydrophobicContact CE-SD 3.74Å
629	Q	93.6	Very high	92.8	Very high	20 Å²	20	34.3 Å²	34.3	9%	0.093	19%	0.191	C	C	.	.	H	α-helix	trans	-60.2	-40.9	174.9	-76.5	169.1	58.1	0	0	111.8	P563 P590 G625 L626 T627 L631 D632 F635 I1029	P563-Q629 HydrophobicContact CB-CG 4.46Å; P563-Q629 HydrophobicContact CG-CG 4.39Å; P590-Q629 HydrophobicContact CB-CB 4.37Å; P590-Q629 HydrophobicContact CG-CB 4.02Å; G625-Q629 WeakPolarHBondContact O-CG 3.31Å; G625-Q629 PolarHBondContact O-N 3.07Å; G625-Q629 PolarHBondContact O-NE2 3.46Å; L626-Q629 WeakPolarHBondContact O-CB 3.14Å; L626-Q629 PolarHBondContact O-N 3.29Å; T627-Q629 VanDerWaalsContact C-N 3.3Å; T627-Q629 PolarHBondContact O-N 2.98Å; Q629-L631 PolarHBondContact O-N 2.93Å; Q629-D632 PolarHBondContact O-N 3.47Å; Q629-F635 WeakPolarHBondContact O-CD2 3.23Å; Q629-F635 WeakPolarHBondContact O-CE2 3.38Å; Q629-I1029 HydrophobicContact CB-CD1 4.27Å; Q629-I1029 HydrophobicContact CB-CG1 4.33Å; Q629-I1029 HydrophobicContact CG-CB 3.99Å; Q629-I1029 HydrophobicContact CG-CD1 3.7Å; Q629-I1029 HydrophobicContact CG-CG1 3.67Å
630	L	96	Very high	93.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-6.3	178.5	-61.3	-178	0	0	0	113.5	P590 F593 W617 T627 M628 F635 V640 I643 A644	P590-L630 HydrophobicContact CB-CD2 4.21Å; P590-L630 HydrophobicContact CG-CD2 3.89Å; P590-L630 HydrophobicContact CG-CG 4.42Å; F593-L630 HydrophobicContact CD2-CD2 4.03Å; W617-L630 HydrophobicContact CH2-CD1 3.52Å; W617-L630 HydrophobicContact CZ2-CD1 3.98Å; W617-L630 HydrophobicContact CZ3-CD1 4.31Å; T627-L630 PolarHBondContact O-N 3.27Å; M628-L630 VanDerWaalsContact C-N 3.3Å; M628-L630 PolarHBondContact O-N 3.32Å; L630-F635 HydrophobicContact CD2-CD2 4.48Å; L630-F635 HydrophobicContact CD2-CE1 4.49Å; L630-F635 HydrophobicContact CD2-CE2 4.2Å; L630-F635 HydrophobicContact CD2-CZ 4.21Å; L630-V640 HydrophobicContact CB-CG1 4.42Å; L630-V640 HydrophobicContact CD2-CG1 4.05Å; L630-I643 HydrophobicContact CD1-CD1 4.34Å; L630-A644 HydrophobicContact CB-CB 3.73Å; L630-A644 HydrophobicContact CD1-CB 4.31Å
631	L	95.6	Very high	93.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	0.2	178.2	-65.7	177.7	0	0	0	113.4	M628 Q629 R641 A644 V645 L648 L663 F669 L677	M628-L631 PolarHBondContact O-N 3.42Å; M628-L631 HydrophobicContact SD-CD1 4.47Å; Q629-L631 PolarHBondContact O-N 2.93Å; L631-R641 VanDerWaalsContact C-NH1 3.26Å; L631-R641 HydrophobicContact CD2-CB 4.17Å; L631-R641 PolarHBondContact O-NH1 3.26Å; L631-R641 PolarHBondContact O-NH2 3.28Å; L631-A644 HydrophobicContact CD1-CB 4.44Å; L631-A644 HydrophobicContact CD2-CB 3.94Å; L631-A644 HydrophobicContact CG-CB 3.9Å; L631-V645 HydrophobicContact CD2-CG2 4.13Å; L631-L648 HydrophobicContact CD1-CD1 3.65Å; L631-L663 HydrophobicContact CD1-CD2 4.4Å; L631-F669 WeakPolarHBondContact O-CD2 3.26Å; L631-L677 HydrophobicContact CD1-CD1 4.39Å
632	D	90.4	Very high	93.6	Very high	10 Å²	10	22.6 Å²	22.6	5%	0.053	12%	0.124	C	C	.	.	S	Bend	trans	-76.5	-174.3	176.2	81.4	5.1	0	0	0	112.3	M628 Q629 N634 F635 R641 I1029 M1033 M1036	M628-D632 PolarHBondContact O-N 3.06Å; Q629-D632 PolarHBondContact O-N 3.47Å; D632-N634 VanDerWaalsContact C-N 3.26Å; D632-N634 PolarHBondContact O-N 3.37Å; D632-N634 WeakPolarHBondContact OD1-CB 3.08Å; D632-N634 PolarHBondContact OD1-N 3.34Å; D632-N634 PolarHBondContact OD1-ND2 3.06Å; D632-N634 PolarHBondContact OD2-ND2 3.23Å; D632-F635 WeakPolarHBondContact OD1-CD2 3.22Å; D632-R641 PolarHBondContact O-NH1 2.87Å; D632-I1029 HydrophobicContact CB-CD1 4.12Å; D632-M1033 HydrophobicContact CB-CG 4.04Å; D632-M1036 HydrophobicContact CB-CE 4.35Å
633	C	87.7	Confident	93.8	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.034	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-12.7	-179.3	68.9	0	0	0	0	115.8	G390 Q391 L502 F635 F669 M1036	G390-C633 CarbonylContact C-O 3.36Å; G390-C633 WeakPolarHBondContact CA-O 3.17Å; Q391-C633 HydrophobicContact CG-CB 4.29Å; Q391-C633 VanDerWaalsContact CG-SG 3.59Å; Q391-C633 PolarHBondContact N-O 3Å; Q391-C633 PolarHBondContact NE2-SG 3.48Å; L502-C633 HydrophobicContact CD1-CB 3.8Å; C633-F635 VanDerWaalsContact C-N 3.26Å; C633-F635 PolarHBondContact O-N 2.97Å; C633-F669 HydrophobicContact CB-CD1 3.67Å; C633-F669 HydrophobicContact CB-CE1 3.89Å; C633-F669 HydrophobicContact CB-CG 4.28Å; C633-M1036 HydrophobicContact CB-CE 3.99Å; C633-M1036 HydrophobicContact CB-SD 3.6Å; C633-M1036 VanDerWaalsContact CB-SD 3.6Å; C633-M1036 VanDerWaalsContact SG-CE 3.54Å; C633-M1036 PolarHBondContact SG-SD 3.39Å
634	N	89.1	Confident	94	Very high	68 Å²	68	16.8 Å²	16.8	36%	0.364	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-21.7	-176.9	-65.9	-56.5	0	0	0	111.4	Q391 D632	Q391-N634 PolarHBondContact OE1-OD1 3.23Å; D632-N634 VanDerWaalsContact C-N 3.26Å; D632-N634 PolarHBondContact O-N 3.37Å; D632-N634 WeakPolarHBondContact OD1-CB 3.08Å; D632-N634 PolarHBondContact OD1-N 3.34Å; D632-N634 PolarHBondContact OD1-ND2 3.06Å; D632-N634 PolarHBondContact OD2-ND2 3.23Å
635	F	93.8	Very high	94.3	Very high	10 Å²	10	16.1 Å²	16.1	4%	0.044	9%	0.089	C	C	.	.			trans	-119.6	106.2	-174.4	-52.7	-77.5	0	0	0	110.9	P590 F593 Q629 L630 D632 C633 V640 R641	P590-F635 HydrophobicContact CB-CE2 4.49Å; P590-F635 HydrophobicContact CB-CZ 4.07Å; P590-F635 WeakPolarHBondContact O-CZ 3.2Å; F593-F635 HydrophobicContact CB-CD1 4.08Å; F593-F635 HydrophobicContact CB-CE1 3.66Å; Q629-F635 WeakPolarHBondContact O-CD2 3.23Å; Q629-F635 WeakPolarHBondContact O-CE2 3.38Å; L630-F635 HydrophobicContact CD2-CD2 4.48Å; L630-F635 HydrophobicContact CD2-CE1 4.49Å; L630-F635 HydrophobicContact CD2-CE2 4.2Å; L630-F635 HydrophobicContact CD2-CZ 4.21Å; D632-F635 WeakPolarHBondContact OD1-CD2 3.22Å; C633-F635 VanDerWaalsContact C-N 3.26Å; C633-F635 PolarHBondContact O-N 2.97Å; F635-V640 HydrophobicContact CB-CG1 4.24Å; F635-V640 HydrophobicContact CD1-CG1 4.11Å; F635-V640 HydrophobicContact CG-CG1 4.26Å; F635-R641 WeakPolarHBondContact O-CD 3.39Å; F635-R641 PolarHBondContact O-NH1 3.33Å
636	S	94.6	Very high	94.5	Very high	14 Å²	14	19.4 Å²	19.4	10%	0.098	10%	0.104	C	C	.	.			trans	-95.8	-10.5	171.9	-64.8	0	0	0	0	113.7	G390 E638 P671	G390-S636 WeakPolarHBondContact CA-OG 3.45Å; G390-S636 PolarHBondContact N-OG 3.07Å; S636-E638 PolarHBondContact O-N 2.73Å; S636-P671 WeakPolarHBondContact O-CG 3.31Å
637	D	96.4	Very high	94.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.104	C	C	.	.			trans	-69.1	126.7	-176.8	-179	-102.5	0	0	0	112.1	W598 Y608 N639 V640 R641	W598-D637 HydrophobicContact CE3-CB 4.43Å; W598-D637 HydrophobicContact CH2-CB 3.48Å; W598-D637 VanDerWaalsContact CH2-CB 3.48Å; W598-D637 HydrophobicContact CZ2-CB 4.2Å; W598-D637 HydrophobicContact CZ3-CB 3.62Å; W598-D637 WeakPolarHBondContact CZ3-OD2 3.44Å; Y608-D637 WeakPolarHBondContact CE1-OD2 3.49Å; Y608-D637 PolarHBondContact OH-OD2 2.87Å; D637-N639 VanDerWaalsContact C-N 3.32Å; D637-N639 PolarHBondContact O-N 3.3Å; D637-N639 WeakPolarHBondContact OD1-CA 3.27Å; D637-N639 WeakPolarHBondContact OD1-CB 3.29Å; D637-N639 PolarHBondContact OD1-N 3.48Å; D637-V640 HydrophobicContact CB-CB 4.21Å; D637-V640 HydrophobicContact CB-CG2 4.1Å; D637-V640 PolarHBondContact O-N 3.01Å; D637-V640 WeakPolarHBondContact OD1-CG2 3.46Å; D637-V640 PolarHBondContact OD1-N 3.46Å; D637-R641 VanDerWaalsContact O-CG 3.3Å; D637-R641 WeakPolarHBondContact O-CG 3.15Å; D637-R641 PolarHBondContact O-N 3.46Å; D637-R641 VanDerWaalsContact O-N 3.08Å
638	E	94.8	Very high	94.6	Very high	83 Å²	83	19.5 Å²	19.5	39%	0.388	10%	0.104	S	C	.	.	H	α-helix	trans	-61.5	-37.6	-176.7	-178.6	177.7	-147	0	0	112.6	K425 S636 A642	K425-E638 VanDerWaalsContact NZ-CD 3.27Å; K425-E638 IonicContact NZ-OE1 3.55Å; K425-E638 IonicContact NZ-OE2 2.78Å; K425-E638 PolarHBondContact NZ-OE2 2.94Å; S636-E638 PolarHBondContact O-N 2.73Å; E638-A642 WeakPolarHBondContact O-CB 3.22Å; E638-A642 PolarHBondContact O-N 3.19Å
639	N	94.1	Very high	94.7	Very high	65 Å²	65	23 Å²	23	35%	0.348	12%	0.12	S	C	.	.	H	α-helix	trans	-73	-40.8	-177.3	-67	-38.1	0	0	0	111.6	Y608 L611 D637 A642 I643	Y608-N639 HydrophobicContact CD1-CB 4.42Å; Y608-N639 WeakPolarHBondContact CD1-ND2 3.47Å; Y608-N639 HydrophobicContact CE1-CB 4.22Å; Y608-N639 WeakPolarHBondContact CE1-ND2 3.49Å; Y608-N639 VanDerWaalsContact CZ-ND2 3.27Å; L611-N639 HydrophobicContact CD1-CB 3.93Å; D637-N639 VanDerWaalsContact C-N 3.32Å; D637-N639 PolarHBondContact O-N 3.3Å; D637-N639 WeakPolarHBondContact OD1-CA 3.27Å; D637-N639 WeakPolarHBondContact OD1-CB 3.29Å; D637-N639 PolarHBondContact OD1-N 3.48Å; N639-A642 PolarHBondContact O-N 2.88Å; N639-I643 PolarHBondContact O-N 3.26Å; N639-I643 VanDerWaalsContact O-N 3.16Å
640	V	96.1	Very high	94.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.5	-45.6	174.1	174.8	0	0	0	0	110.7	F593 W598 L611 L630 F635 D637 A642 I643 A644	F593-V640 HydrophobicContact CB-CG2 4.47Å; F593-V640 HydrophobicContact CD1-CG2 4.13Å; F593-V640 HydrophobicContact CD2-CG1 3.87Å; F593-V640 HydrophobicContact CD2-CG2 4.14Å; F593-V640 HydrophobicContact CE1-CG2 4.46Å; F593-V640 HydrophobicContact CE2-CG1 4.36Å; F593-V640 HydrophobicContact CE2-CG2 4.45Å; F593-V640 HydrophobicContact CG-CG1 4.35Å; F593-V640 HydrophobicContact CG-CG2 3.99Å; W598-V640 HydrophobicContact CH2-CG2 4.03Å; W598-V640 HydrophobicContact CZ2-CG2 4.42Å; L611-V640 HydrophobicContact CD1-CG2 4.14Å; L630-V640 HydrophobicContact CB-CG1 4.42Å; L630-V640 HydrophobicContact CD2-CG1 4.05Å; F635-V640 HydrophobicContact CB-CG1 4.24Å; F635-V640 HydrophobicContact CD1-CG1 4.11Å; F635-V640 HydrophobicContact CG-CG1 4.26Å; D637-V640 HydrophobicContact CB-CB 4.21Å; D637-V640 HydrophobicContact CB-CG2 4.1Å; D637-V640 PolarHBondContact O-N 3.01Å; D637-V640 WeakPolarHBondContact OD1-CG2 3.46Å; D637-V640 PolarHBondContact OD1-N 3.46Å; V640-A642 PolarHBondContact O-N 2.89Å; V640-I643 WeakPolarHBondContact O-CG1 3.21Å; V640-A644 PolarHBondContact O-N 2.71Å
641	R	97.4	Very high	94.7	Very high	4 Å²	4	26 Å²	26	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-66.8	-37.8	178	-63.3	-177.9	77.5	75.8	7.3	111.8	L631 D632 F635 D637 I643 A644 V645 E670	L631-R641 VanDerWaalsContact C-NH1 3.26Å; L631-R641 HydrophobicContact CD2-CB 4.17Å; L631-R641 PolarHBondContact O-NH1 3.26Å; L631-R641 PolarHBondContact O-NH2 3.28Å; D632-R641 PolarHBondContact O-NH1 2.87Å; F635-R641 WeakPolarHBondContact O-CD 3.39Å; F635-R641 PolarHBondContact O-NH1 3.33Å; D637-R641 VanDerWaalsContact O-CG 3.3Å; D637-R641 WeakPolarHBondContact O-CG 3.15Å; D637-R641 PolarHBondContact O-N 3.46Å; D637-R641 VanDerWaalsContact O-N 3.08Å; R641-I643 PolarHBondContact O-N 3.34Å; R641-A644 WeakPolarHBondContact O-CB 3.32Å; R641-A644 PolarHBondContact O-N 3.26Å; R641-V645 PolarHBondContact O-N 2.8Å; R641-E670 IonicContact CZ-OE1 3.71Å; R641-E670 VanDerWaalsContact CZ-OE1 3.26Å; R641-E670 IonicContact NE-OE1 3.61Å; R641-E670 PolarHBondContact NE-OE1 3.05Å; R641-E670 IonicContact NE-OE2 3.27Å; R641-E670 PolarHBondContact NE-OE2 3.03Å; R641-E670 IonicContact NH2-OE1 2.66Å; R641-E670 PolarHBondContact NH2-OE1 3.04Å
642	A	96.2	Very high	94.7	Very high	35 Å²	35	28 Å²	28	29%	0.289	15%	0.152	S	C	.	.	H	α-helix	trans	-63.7	-38.9	178.9	0	0	0	0	0	113.3	E638 N639 V640 A644 V645 Q646 A676	E638-A642 WeakPolarHBondContact O-CB 3.22Å; E638-A642 PolarHBondContact O-N 3.19Å; N639-A642 PolarHBondContact O-N 2.88Å; V640-A642 PolarHBondContact O-N 2.89Å; A642-A644 VanDerWaalsContact C-N 3.26Å; A642-A644 PolarHBondContact O-N 2.81Å; A642-V645 PolarHBondContact O-N 3.31Å; A642-Q646 WeakPolarHBondContact O-CB 3.34Å; A642-Q646 PolarHBondContact O-N 3.13Å; A642-A676 HydrophobicContact CB-CB 4.5Å
643	I	95.6	Very high	94.9	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.015	16%	0.162	C	C	.	.	H	α-helix	trans	-68	-27.1	176.3	61.1	158	0	0	0	112.7	Y589 F593 L611 W617 L630 N639 V640 R641 K647	Y589-I643 HydrophobicContact CD2-CD1 4.14Å; Y589-I643 HydrophobicContact CE2-CD1 4.37Å; F593-I643 HydrophobicContact CE2-CD1 4.15Å; F593-I643 HydrophobicContact CZ-CD1 4.43Å; L611-I643 HydrophobicContact CD2-CD1 3.71Å; L611-I643 HydrophobicContact CD2-CG1 4.5Å; L611-I643 HydrophobicContact CD2-CG2 4.46Å; W617-I643 HydrophobicContact CD2-CD1 4.45Å; W617-I643 HydrophobicContact CZ2-CD1 4.39Å; W617-I643 PolarHBondContact NE1-O 3.05Å; L630-I643 HydrophobicContact CD1-CD1 4.34Å; N639-I643 PolarHBondContact O-N 3.26Å; N639-I643 VanDerWaalsContact O-N 3.16Å; V640-I643 WeakPolarHBondContact O-CG1 3.21Å; R641-I643 PolarHBondContact O-N 3.34Å; I643-K647 PolarHBondContact O-N 3.27Å
644	A	96.9	Very high	95.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-70.3	-48.5	172.9	0	0	0	0	0	110.4	T627 L630 L631 V640 R641 A642 Q646 K647 L648	T627-A644 HydrophobicContact CG2-CB 3.89Å; T627-A644 WeakPolarHBondContact CG2-O 3.29Å; L630-A644 HydrophobicContact CB-CB 3.73Å; L630-A644 HydrophobicContact CD1-CB 4.31Å; L631-A644 HydrophobicContact CD1-CB 4.44Å; L631-A644 HydrophobicContact CD2-CB 3.94Å; L631-A644 HydrophobicContact CG-CB 3.9Å; V640-A644 PolarHBondContact O-N 2.71Å; R641-A644 WeakPolarHBondContact O-CB 3.32Å; R641-A644 PolarHBondContact O-N 3.26Å; A642-A644 VanDerWaalsContact C-N 3.26Å; A642-A644 PolarHBondContact O-N 2.81Å; A644-Q646 VanDerWaalsContact C-N 3.27Å; A644-Q646 PolarHBondContact O-N 3.25Å; A644-K647 WeakPolarHBondContact O-CB 3.26Å; A644-K647 PolarHBondContact O-N 3.22Å; A644-L648 PolarHBondContact O-N 3.18Å; A644-L648 VanDerWaalsContact O-N 3.15Å
645	V	97.9	Very high	95.4	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-59.4	-39.3	175.5	178.1	0	0	0	0	111.6	L631 R641 A642 K647 L648 E649 A676 L677 F680	L631-V645 HydrophobicContact CD2-CG2 4.13Å; R641-V645 PolarHBondContact O-N 2.8Å; A642-V645 PolarHBondContact O-N 3.31Å; V645-K647 PolarHBondContact O-N 2.78Å; V645-L648 WeakPolarHBondContact O-CA 3.47Å; V645-L648 WeakPolarHBondContact O-CB 3.37Å; V645-L648 PolarHBondContact O-N 2.86Å; V645-E649 PolarHBondContact O-N 2.92Å; V645-E649 VanDerWaalsContact O-N 3.08Å; V645-A676 HydrophobicContact CB-CB 4.02Å; V645-A676 HydrophobicContact CG1-CB 4.07Å; V645-A676 HydrophobicContact CG2-CB 3.94Å; V645-L677 HydrophobicContact CG2-CB 3.95Å; V645-L677 HydrophobicContact CG2-CD1 4.5Å; V645-F680 HydrophobicContact CG1-CB 3.72Å; V645-F680 HydrophobicContact CG1-CD2 4.49Å; V645-F680 HydrophobicContact CG1-CG 4.23Å
646	Q	95.7	Very high	95.6	Very high	70 Å²	70	27.7 Å²	27.7	33%	0.327	15%	0.151	S	C	.	.	H	α-helix	trans	-55.5	-34.9	174.5	-174.2	-170.5	-23	0	0	112.5	R614 D618 A642 A644 E649	R614-Q646 VanDerWaalsContact CZ-OE1 3.23Å; D618-Q646 PolarHBondContact OD1-NE2 2.72Å; A642-Q646 WeakPolarHBondContact O-CB 3.34Å; A642-Q646 PolarHBondContact O-N 3.13Å; A644-Q646 VanDerWaalsContact C-N 3.27Å; A644-Q646 PolarHBondContact O-N 3.25Å; Q646-E649 WeakPolarHBondContact O-CB 3.39Å
647	K	95.4	Very high	95.6	Very high	15 Å²	15	28.3 Å²	28.3	7%	0.065	15%	0.153	C	C	.	.	H	α-helix	trans	-72.7	-39.8	173.4	-72.3	-62.1	-171	177.2	0	112.4	W617 D618 S620 L622 T627 I643 A644 V645 E649 S650	W617-K647 HydrophobicContact CZ2-CG 3.65Å; W617-K647 WeakPolarHBondContact O-CE 3.41Å; W617-K647 PolarHBondContact O-NZ 3.03Å; D618-K647 PolarHBondContact O-NZ 3.02Å; S620-K647 PolarHBondContact O-NZ 2.95Å; S620-K647 WeakPolarHBondContact OG-CE 3.26Å; S620-K647 PolarHBondContact OG-NZ 3.13Å; L622-K647 HydrophobicContact CD1-CB 3.87Å; T627-K647 HydrophobicContact CG2-CB 4.13Å; I643-K647 PolarHBondContact O-N 3.27Å; A644-K647 WeakPolarHBondContact O-CB 3.26Å; A644-K647 PolarHBondContact O-N 3.22Å; V645-K647 PolarHBondContact O-N 2.78Å; K647-E649 PolarHBondContact O-N 2.89Å; K647-S650 PolarHBondContact O-N 2.77Å; K647-S650 PolarHBondContact O-OG 3.43Å
648	L	96.8	Very high	95.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.3	-25.7	175.4	-60.1	-179.9	0	0	0	113.2	T627 L631 A644 V645 S650 L651 L663 L677 F680	T627-L648 HydrophobicContact CG2-CD1 4.49Å; T627-L648 HydrophobicContact CG2-CD2 3.56Å; T627-L648 HydrophobicContact CG2-CG 3.7Å; L631-L648 HydrophobicContact CD1-CD1 3.65Å; A644-L648 PolarHBondContact O-N 3.18Å; A644-L648 VanDerWaalsContact O-N 3.15Å; V645-L648 WeakPolarHBondContact O-CA 3.47Å; V645-L648 WeakPolarHBondContact O-CB 3.37Å; V645-L648 PolarHBondContact O-N 2.86Å; L648-S650 PolarHBondContact O-N 3.41Å; L648-S650 VanDerWaalsContact O-N 3.11Å; L648-L651 HydrophobicContact CB-CD1 4.25Å; L648-L651 HydrophobicContact CD2-CD1 3.63Å; L648-L651 WeakPolarHBondContact O-CB 3.45Å; L648-L651 PolarHBondContact O-N 2.93Å; L648-L663 HydrophobicContact CD1-CD2 3.55Å; L648-L677 HydrophobicContact CD1-CD1 4.36Å; L648-F680 HydrophobicContact CB-CD2 4.49Å; L648-F680 HydrophobicContact CB-CE1 4.25Å; L648-F680 HydrophobicContact CB-CE2 3.99Å; L648-F680 HydrophobicContact CB-CZ 3.86Å; L648-F680 HydrophobicContact CD1-CE1 4.47Å; L648-F680 WeakPolarHBondContact O-CE2 3.4Å
649	E	95.5	Very high	95.4	Very high	74 Å²	74	26.8 Å²	26.8	35%	0.346	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.3	173.3	-63.1	-64.5	176	0	0	113.6	V645 Q646 K647 K683	V645-E649 PolarHBondContact O-N 2.92Å; V645-E649 VanDerWaalsContact O-N 3.08Å; Q646-E649 WeakPolarHBondContact O-CB 3.39Å; K647-E649 PolarHBondContact O-N 2.89Å; E649-K683 IonicContact OE1-NZ 2.88Å; E649-K683 PolarHBondContact OE1-NZ 3.42Å; E649-K683 WeakPolarHBondContact OE2-CE 3.32Å; E649-K683 IonicContact OE2-NZ 3.76Å; E649-K683 PolarHBondContact OE2-NZ 3.41Å
650	S	94.9	Very high	95.6	Very high	78 Å²	78	23.8 Å²	23.8	55%	0.545	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-8.6	177	67.7	0	0	0	0	114.6	K647 L648 E652	K647-S650 PolarHBondContact O-N 2.77Å; K647-S650 PolarHBondContact O-OG 3.43Å; L648-S650 PolarHBondContact O-N 3.41Å; L648-S650 VanDerWaalsContact O-N 3.11Å; S650-E652 PolarHBondContact O-N 3.02Å
651	L	94.8	Very high	95.4	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.031	13%	0.131	C	C	.	.			trans	-65	133.6	176.6	-75.3	170.6	0	0	0	111	L622 V624 L648 D655 V656 R684	L622-L651 HydrophobicContact CD2-CD2 3.39Å; L622-L651 HydrophobicContact CD2-CG 3.73Å; V624-L651 HydrophobicContact CG2-CD2 3.93Å; L648-L651 HydrophobicContact CB-CD1 4.25Å; L648-L651 HydrophobicContact CD2-CD1 3.63Å; L648-L651 WeakPolarHBondContact O-CB 3.45Å; L648-L651 PolarHBondContact O-N 2.93Å; L651-D655 HydrophobicContact CD2-CB 3.76Å; L651-V656 HydrophobicContact CB-CG2 3.69Å; L651-V656 HydrophobicContact CD1-CG2 4.14Å; L651-R684 VanDerWaalsContact O-CZ 3.24Å; L651-R684 PolarHBondContact O-NH1 2.96Å; L651-R684 PolarHBondContact O-NH2 3.41Å
652	E	94.8	Very high	95.1	Very high	41 Å²	41	24.1 Å²	24.1	19%	0.192	13%	0.131	C	C	.	.			trans	-68.2	160.9	167.1	66.2	175.9	-162.7	0	0	111.6	T203 S204 S650 D654 D655 V656 R684	T203-E652 PolarHBondContact OG1-OE1 3.01Å; S204-E652 WeakPolarHBondContact CB-OE2 3.41Å; S204-E652 PolarHBondContact N-OE2 3.32Å; S204-E652 PolarHBondContact OG-OE2 3.03Å; S650-E652 PolarHBondContact O-N 3.02Å; E652-D654 VanDerWaalsContact C-N 3.25Å; E652-D654 HydrophobicContact CG-CB 4.28Å; E652-D654 PolarHBondContact O-N 3.42Å; E652-D655 HydrophobicContact CG-CB 4.16Å; E652-D655 PolarHBondContact O-N 3.41Å; E652-V656 PolarHBondContact O-N 2.9Å; E652-R684 VanDerWaalsContact C-NH2 3.3Å; E652-R684 PolarHBondContact O-NH2 2.67Å
653	D	95.5	Very high	95.2	Very high	50 Å²	50	22.5 Å²	22.5	27%	0.267	12%	0.117	S	C	.	.	H	α-helix	trans	-60.8	-35.6	-176.4	-75.6	-15.3	0	0	0	112.5	V656 L657 R684 N688 I691	D653-V656 PolarHBondContact O-N 2.76Å; D653-L657 WeakPolarHBondContact O-CG 3.41Å; D653-L657 PolarHBondContact O-N 2.79Å; D653-R684 IonicContact OD1-CZ 3.27Å; D653-R684 IonicContact OD1-NE 3.6Å; D653-R684 PolarHBondContact OD1-NE 3.33Å; D653-R684 IonicContact OD1-NH2 3.48Å; D653-R684 PolarHBondContact OD1-NH2 3.36Å; D653-N688 PolarHBondContact OD2-ND2 2.89Å; D653-I691 HydrophobicContact CB-CD1 3.85Å; D653-I691 WeakPolarHBondContact OD1-CD1 3.29Å
654	D	93	Very high	95.2	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.027	12%	0.116	C	C	.	.	H	α-helix	trans	-62.5	-45.4	176.7	-167.7	72.3	0	0	0	112	W201 K205 Q291 E652 L657 H658	W201-D654 PolarHBondContact NE1-OD1 3.49Å; K205-D654 IonicContact NZ-OD2 3.17Å; Q291-D654 PolarHBondContact NE2-OD1 2.91Å; Q291-D654 PolarHBondContact NE2-OD2 3.11Å; Q291-D654 VanDerWaalsContact NE2-OD2 3.17Å; E652-D654 VanDerWaalsContact C-N 3.25Å; E652-D654 HydrophobicContact CG-CB 4.28Å; E652-D654 PolarHBondContact O-N 3.42Å; D654-L657 WeakPolarHBondContact O-CB 3.4Å; D654-L657 PolarHBondContact O-N 2.88Å; D654-H658 PolarHBondContact O-N 3.15Å; D654-H658 PolarHBondContact O-ND1 2.74Å; D654-H658 IonicContact OD2-CE1 3.18Å; D654-H658 PolarHBondContact OD2-CE1 2.91Å; D654-H658 VanDerWaalsContact OD2-CE1 3.27Å; D654-H658 IonicContact OD2-ND1 3.83Å
655	D	94	Very high	94.9	Very high	32 Å²	32	22.9 Å²	22.9	17%	0.171	12%	0.119	C	C	.	.	H	α-helix	trans	-70.1	-33.9	175.6	-72.7	-29.4	0	0	0	112.5	K205 L651 E652 L657 H658 Y659	K205-D655 VanDerWaalsContact CE-OD1 3.26Å; K205-D655 WeakPolarHBondContact CE-OD1 3.39Å; K205-D655 IonicContact NZ-OD1 3.1Å; K205-D655 PolarHBondContact NZ-OD1 2.95Å; L651-D655 HydrophobicContact CD2-CB 3.76Å; E652-D655 HydrophobicContact CG-CB 4.16Å; E652-D655 PolarHBondContact O-N 3.41Å; D655-L657 VanDerWaalsContact C-N 3.28Å; D655-L657 PolarHBondContact O-N 3.25Å; D655-H658 WeakPolarHBondContact O-CB 3.43Å; D655-H658 PolarHBondContact O-N 2.89Å; D655-H658 VanDerWaalsContact O-N 3.12Å; D655-H658 IonicContact OD1-ND1 2.72Å; D655-Y659 WeakPolarHBondContact O-CD2 3.34Å; D655-Y659 PolarHBondContact O-N 2.87Å
656	V	96.9	Very high	94.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.5	-41.9	171.4	172.1	0	0	0	0	110.9	L651 E652 D653 H658 Y659 L660 F680 R684 I691	L651-V656 HydrophobicContact CB-CG2 3.69Å; L651-V656 HydrophobicContact CD1-CG2 4.14Å; E652-V656 PolarHBondContact O-N 2.9Å; D653-V656 PolarHBondContact O-N 2.76Å; V656-H658 VanDerWaalsContact C-N 3.26Å; V656-H658 PolarHBondContact O-N 2.9Å; V656-Y659 CarbonylContact O-C 3.58Å; V656-Y659 PolarHBondContact O-N 2.88Å; V656-Y659 VanDerWaalsContact O-N 3.14Å; V656-L660 HydrophobicContact CG1-CD1 4.39Å; V656-L660 WeakPolarHBondContact O-CA 3.21Å; V656-L660 VanDerWaalsContact O-CB 3.26Å; V656-L660 WeakPolarHBondContact O-CB 3.44Å; V656-L660 PolarHBondContact O-N 2.9Å; V656-F680 HydrophobicContact CG2-CZ 4.06Å; V656-R684 VanDerWaalsContact CG2-CZ 3.4Å; V656-I691 HydrophobicContact CB-CD1 4.01Å; V656-I691 HydrophobicContact CG1-CD1 3.86Å; V656-I691 HydrophobicContact CG1-CG1 4.42Å; V656-I691 HydrophobicContact CG1-CG2 4.22Å
657	L	95.1	Very high	94.8	Very high	27 Å²	27	19.4 Å²	19.4	14%	0.141	10%	0.102	C	C	.	.	H	α-helix	trans	-60.2	-35.3	175.7	-70.9	167.6	0	0	0	112.5	D653 D654 D655 Y659 R690 I691 F694 Q846	D653-L657 WeakPolarHBondContact O-CG 3.41Å; D653-L657 PolarHBondContact O-N 2.79Å; D654-L657 WeakPolarHBondContact O-CB 3.4Å; D654-L657 PolarHBondContact O-N 2.88Å; D655-L657 VanDerWaalsContact C-N 3.28Å; D655-L657 PolarHBondContact O-N 3.25Å; L657-Y659 VanDerWaalsContact C-N 3.32Å; L657-Y659 PolarHBondContact O-N 3.02Å; L657-R690 HydrophobicContact CD1-CG 4.05Å; L657-R690 HydrophobicContact CD2-CG 4.24Å; L657-I691 HydrophobicContact CD2-CB 4.48Å; L657-I691 HydrophobicContact CD2-CG1 3.85Å; L657-I691 HydrophobicContact CG-CG1 3.98Å; L657-F694 HydrophobicContact CD2-CD2 3.9Å; L657-Q846 PolarHBondContact O-NE2 3.48Å
658	H	92.7	Very high	94.8	Very high	35 Å²	35	18.8 Å²	18.8	16%	0.162	10%	0.1	C	C	.	.	H	α-helix	trans	-66.4	-29.2	176	-68.7	115.2	0	0	0	113.8	D654 D655 V656 Q846 I850	D654-H658 PolarHBondContact O-N 3.15Å; D654-H658 PolarHBondContact O-ND1 2.74Å; D654-H658 IonicContact OD2-CE1 3.18Å; D654-H658 PolarHBondContact OD2-CE1 2.91Å; D654-H658 VanDerWaalsContact OD2-CE1 3.27Å; D654-H658 IonicContact OD2-ND1 3.83Å; D655-H658 WeakPolarHBondContact O-CB 3.43Å; D655-H658 PolarHBondContact O-N 2.89Å; D655-H658 VanDerWaalsContact O-N 3.12Å; D655-H658 IonicContact OD1-ND1 2.72Å; V656-H658 VanDerWaalsContact C-N 3.26Å; V656-H658 PolarHBondContact O-N 2.9Å; H658-Q846 PolarHBondContact O-NE2 3.38Å; H658-I850 WeakPolarHBondContact O-CD1 3.36Å
659	Y	94.9	Very high	94.6	Very high	17 Å²	17	19.2 Å²	19.2	7%	0.067	10%	0.102	C	C	.	.	H	α-helix	trans	-114.2	1.6	-177.3	-56	-69.7	0	0	0	114	V624 D655 V656 L657 L661 Q662 L663 I850 L1026 L1030	V624-Y659 HydrophobicContact CB-CE2 4.36Å; V624-Y659 HydrophobicContact CG1-CD1 4.09Å; V624-Y659 HydrophobicContact CG1-CD2 3.91Å; V624-Y659 HydrophobicContact CG1-CE1 3.96Å; V624-Y659 HydrophobicContact CG1-CE2 3.81Å; V624-Y659 HydrophobicContact CG1-CG 4.07Å; V624-Y659 HydrophobicContact CG2-CE2 4.06Å; D655-Y659 WeakPolarHBondContact O-CD2 3.34Å; D655-Y659 PolarHBondContact O-N 2.87Å; V656-Y659 CarbonylContact O-C 3.58Å; V656-Y659 PolarHBondContact O-N 2.88Å; V656-Y659 VanDerWaalsContact O-N 3.14Å; L657-Y659 VanDerWaalsContact C-N 3.32Å; L657-Y659 PolarHBondContact O-N 3.02Å; Y659-L661 VanDerWaalsContact C-N 3.29Å; Y659-L661 PolarHBondContact O-N 3.37Å; Y659-Q662 PolarHBondContact O-N 3.31Å; Y659-Q662 VanDerWaalsContact O-N 3.1Å; Y659-L663 WeakPolarHBondContact O-CG 3.44Å; Y659-L663 PolarHBondContact O-N 3.32Å; Y659-I850 HydrophobicContact CD1-CD1 3.89Å; Y659-I850 HydrophobicContact CE1-CD1 3.83Å; Y659-I850 HydrophobicContact CE1-CG1 4.14Å; Y659-I850 HydrophobicContact CE1-CG2 4.25Å; Y659-L1026 HydrophobicContact CE1-CD1 4.1Å; Y659-L1026 HydrophobicContact CE1-CD2 4.44Å; Y659-L1030 HydrophobicContact CD1-CD2 4.08Å; Y659-L1030 HydrophobicContact CE1-CD1 4.45Å; Y659-L1030 HydrophobicContact CE1-CD2 4.44Å
660	L	96.7	Very high	94.6	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-57.3	-41.7	-171	-177.7	61.1	0	0	0	112.3	V656 L663 V664 L681 I691 F694 L695 F698	V656-L660 HydrophobicContact CG1-CD1 4.39Å; V656-L660 WeakPolarHBondContact O-CA 3.21Å; V656-L660 VanDerWaalsContact O-CB 3.26Å; V656-L660 WeakPolarHBondContact O-CB 3.44Å; V656-L660 PolarHBondContact O-N 2.9Å; L660-L663 PolarHBondContact O-N 2.86Å; L660-V664 HydrophobicContact CD1-CG2 4.38Å; L660-V664 VanDerWaalsContact O-CG2 3.32Å; L660-V664 WeakPolarHBondContact O-CG2 3.25Å; L660-V664 PolarHBondContact O-N 3.21Å; L660-L681 HydrophobicContact CD1-CD2 3.77Å; L660-I691 HydrophobicContact CD1-CG2 4.27Å; L660-I691 HydrophobicContact CD2-CG2 4.22Å; L660-F694 HydrophobicContact CD2-CB 3.67Å; L660-L695 HydrophobicContact CD1-CD1 4.48Å; L660-F698 HydrophobicContact CB-CE2 4.07Å; L660-F698 HydrophobicContact CD2-CD2 4.14Å; L660-F698 HydrophobicContact CD2-CE2 3.91Å; L660-F698 HydrophobicContact CG-CD2 3.93Å; L660-F698 HydrophobicContact CG-CE2 3.85Å
661	L	93.5	Very high	94.6	Very high	11 Å²	11	13.5 Å²	13.5	6%	0.058	7%	0.068	C	C	.	.	H	α-helix	trans	-61.4	-47.8	178.6	-178.1	58.5	0	0	0	110.9	Y659 L663 V664 Q665 F698 M842 L843 Q846	Y659-L661 VanDerWaalsContact C-N 3.29Å; Y659-L661 PolarHBondContact O-N 3.37Å; L661-L663 VanDerWaalsContact C-N 3.34Å; L661-L663 PolarHBondContact O-N 3.13Å; L661-V664 PolarHBondContact O-N 3.03Å; L661-Q665 VanDerWaalsContact O-CG 3.32Å; L661-Q665 WeakPolarHBondContact O-CG 3.48Å; L661-Q665 PolarHBondContact O-N 2.93Å; L661-F698 HydrophobicContact CB-CD2 4.26Å; L661-F698 HydrophobicContact CB-CE2 3.88Å; L661-F698 HydrophobicContact CB-CZ 4.28Å; L661-F698 HydrophobicContact CD1-CD1 4.23Å; L661-F698 HydrophobicContact CD1-CD2 4.14Å; L661-F698 HydrophobicContact CD1-CE1 4.48Å; L661-F698 HydrophobicContact CD1-CE2 4.38Å; L661-F698 HydrophobicContact CD1-CG 4.07Å; L661-M842 HydrophobicContact CD2-CB 4.46Å; L661-L843 HydrophobicContact CD2-CB 4.3Å; L661-L843 HydrophobicContact CD2-CD1 3.59Å; L661-L843 HydrophobicContact CG-CD1 4.21Å; L661-Q846 HydrophobicContact CB-CG 4.44Å; L661-Q846 HydrophobicContact CD2-CB 4.27Å
662	Q	91.4	Very high	94.7	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-67	-35.6	179.5	-69	79.2	10.1	0	0	112.2	M628 Y659 Q665 A666 L1030	M628-Q662 HydrophobicContact CE-CB 3.58Å; Y659-Q662 PolarHBondContact O-N 3.31Å; Y659-Q662 VanDerWaalsContact O-N 3.1Å; Q662-Q665 PolarHBondContact O-N 2.85Å; Q662-A666 WeakPolarHBondContact O-CB 3.42Å; Q662-A666 PolarHBondContact O-N 2.82Å; Q662-L1030 HydrophobicContact CB-CD2 4.15Å; Q662-L1030 HydrophobicContact CG-CD2 3.68Å
663	L	96.3	Very high	94.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67	-40.3	175	-67.7	168.7	0	0	0	112	M628 L631 L648 Y659 L660 L661 Q665 A666 V667 L677 F680 L681	M628-L663 HydrophobicContact CE-CD2 4.03Å; M628-L663 HydrophobicContact CE-CG 4.32Å; M628-L663 HydrophobicContact SD-CD2 3.53Å; M628-L663 VanDerWaalsContact SD-CD2 3.53Å; M628-L663 HydrophobicContact SD-CG 4.33Å; L631-L663 HydrophobicContact CD1-CD2 4.4Å; L648-L663 HydrophobicContact CD1-CD2 3.55Å; Y659-L663 WeakPolarHBondContact O-CG 3.44Å; Y659-L663 PolarHBondContact O-N 3.32Å; L660-L663 PolarHBondContact O-N 2.86Å; L661-L663 VanDerWaalsContact C-N 3.34Å; L661-L663 PolarHBondContact O-N 3.13Å; L663-Q665 VanDerWaalsContact C-N 3.32Å; L663-A666 WeakPolarHBondContact O-CB 3.33Å; L663-A666 PolarHBondContact O-N 2.9Å; L663-V667 PolarHBondContact O-N 3.46Å; L663-L677 HydrophobicContact CD2-CD1 4.1Å; L663-F680 HydrophobicContact CD1-CE1 4.11Å; L663-L681 HydrophobicContact CB-CD2 3.91Å
664	V	95.8	Very high	94.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.6	-43.2	172.6	169	0	0	0	0	110.5	L660 L661 A666 V667 L681 L695 F698 L699 F713	L660-V664 HydrophobicContact CD1-CG2 4.38Å; L660-V664 VanDerWaalsContact O-CG2 3.32Å; L660-V664 WeakPolarHBondContact O-CG2 3.25Å; L660-V664 PolarHBondContact O-N 3.21Å; L661-V664 PolarHBondContact O-N 3.03Å; V664-A666 VanDerWaalsContact C-N 3.33Å; V664-A666 PolarHBondContact O-N 3.44Å; V664-V667 WeakPolarHBondContact O-CB 3.38Å; V664-V667 PolarHBondContact O-N 2.92Å; V664-L681 HydrophobicContact CG2-CD1 4.24Å; V664-L695 HydrophobicContact CG2-CD1 3.71Å; V664-F698 HydrophobicContact CB-CB 4.49Å; V664-F698 HydrophobicContact CG1-CB 4.18Å; V664-F698 HydrophobicContact CG2-CB 4.24Å; V664-F698 HydrophobicContact CG2-CD2 4.36Å; V664-L699 HydrophobicContact CG1-CD2 4.07Å; V664-F713 HydrophobicContact CG1-CE1 4.15Å
665	Q	92.3	Very high	95	Very high	12 Å²	12	11.3 Å²	11.3	6%	0.056	6%	0.056	C	C	.	.	H	α-helix	trans	-64.6	-36.3	176.3	-70.5	-50.6	-37	0	0	112.8	L661 Q662 L663 V667 K668 E702 T1037	L661-Q665 VanDerWaalsContact O-CG 3.32Å; L661-Q665 WeakPolarHBondContact O-CG 3.48Å; L661-Q665 PolarHBondContact O-N 2.93Å; Q662-Q665 PolarHBondContact O-N 2.85Å; L663-Q665 VanDerWaalsContact C-N 3.32Å; Q665-V667 PolarHBondContact O-N 3.39Å; Q665-K668 VanDerWaalsContact O-CB 3.28Å; Q665-K668 WeakPolarHBondContact O-CB 3.37Å; Q665-K668 WeakPolarHBondContact O-CG 3.45Å; Q665-K668 PolarHBondContact O-N 3.44Å; Q665-K668 VanDerWaalsContact OE1-CE 3.24Å; Q665-E702 PolarHBondContact NE2-OE1 2.94Å; Q665-T1037 HydrophobicContact CB-CG2 3.49Å; Q665-T1037 VanDerWaalsContact CB-CG2 3.49Å; Q665-T1037 HydrophobicContact CG-CG2 3.7Å
666	A	94.3	Very high	95.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.6	-22.1	178.3	0	0	0	0	0	113.7	Q662 L663 V664 K668 F669 L677 M1033	Q662-A666 WeakPolarHBondContact O-CB 3.42Å; Q662-A666 PolarHBondContact O-N 2.82Å; L663-A666 WeakPolarHBondContact O-CB 3.33Å; L663-A666 PolarHBondContact O-N 2.9Å; V664-A666 VanDerWaalsContact C-N 3.33Å; V664-A666 PolarHBondContact O-N 3.44Å; A666-K668 PolarHBondContact O-N 3.24Å; A666-F669 HydrophobicContact CB-CD2 4.39Å; A666-F669 WeakPolarHBondContact O-CB 3.48Å; A666-F669 PolarHBondContact O-N 3.43Å; A666-L677 HydrophobicContact CB-CD2 3.71Å; A666-M1033 HydrophobicContact CB-CE 3.32Å
667	V	96.6	Very high	95.3	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.006	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-60.9	-24.1	172.7	177.1	0	0	0	0	111.8	L663 V664 Q665 F669 E670 L677 L681 R712 F713 I716	L663-V667 PolarHBondContact O-N 3.46Å; V664-V667 WeakPolarHBondContact O-CB 3.38Å; V664-V667 PolarHBondContact O-N 2.92Å; Q665-V667 PolarHBondContact O-N 3.39Å; V667-F669 PolarHBondContact O-N 3.22Å; V667-E670 WeakPolarHBondContact O-CB 3.45Å; V667-E670 PolarHBondContact O-N 2.77Å; V667-L677 HydrophobicContact CG2-CD2 3.92Å; V667-L677 HydrophobicContact CG2-CG 4.09Å; V667-L681 HydrophobicContact CG2-CD1 3.6Å; V667-R712 HydrophobicContact CG1-CG 4.23Å; V667-R712 PolarHBondContact O-NH1 3.32Å; V667-F713 HydrophobicContact CB-CE1 3.97Å; V667-F713 HydrophobicContact CG1-CD1 4.48Å; V667-F713 HydrophobicContact CG1-CE1 3.99Å; V667-I716 HydrophobicContact CG1-CD1 3.93Å
668	K	94.1	Very high	95.4	Very high	3 Å²	3	10.5 Å²	10.5	1%	0.013	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-64.8	-25.1	173.4	-63.3	179.2	172.9	168.6	0	112.5	A499 Q665 A666 E702 Y709 F713 T1037	A499-K668 HydrophobicContact CB-CB 3.99Å; A499-K668 HydrophobicContact CB-CD 4.39Å; Q665-K668 VanDerWaalsContact O-CB 3.28Å; Q665-K668 WeakPolarHBondContact O-CB 3.37Å; Q665-K668 WeakPolarHBondContact O-CG 3.45Å; Q665-K668 PolarHBondContact O-N 3.44Å; Q665-K668 VanDerWaalsContact OE1-CE 3.24Å; A666-K668 PolarHBondContact O-N 3.24Å; K668-E702 VanDerWaalsContact CE-OE2 3.29Å; K668-E702 WeakPolarHBondContact CE-OE2 3.42Å; K668-E702 VanDerWaalsContact NZ-CD 3.35Å; K668-E702 IonicContact NZ-OE1 2.93Å; K668-E702 IonicContact NZ-OE2 3.58Å; K668-E702 PolarHBondContact NZ-OE2 2.72Å; K668-Y709 HydrophobicContact CB-CD1 4.23Å; K668-Y709 HydrophobicContact CB-CD2 4.3Å; K668-Y709 HydrophobicContact CB-CE1 3.85Å; K668-Y709 HydrophobicContact CB-CE2 3.93Å; K668-Y709 HydrophobicContact CB-CG 4.45Å; K668-Y709 HydrophobicContact CD-CD2 3.88Å; K668-Y709 HydrophobicContact CD-CE2 4Å; K668-Y709 HydrophobicContact CD-CG 4.42Å; K668-Y709 HydrophobicContact CG-CD1 4.04Å; K668-Y709 HydrophobicContact CG-CD2 3.77Å; K668-Y709 HydrophobicContact CG-CE1 4.16Å; K668-Y709 HydrophobicContact CG-CE2 3.89Å; K668-Y709 HydrophobicContact CG-CG 3.86Å; K668-Y709 WeakPolarHBondContact O-CE1 3.46Å; K668-Y709 PolarHBondContact O-OH 2.98Å; K668-Y709 VanDerWaalsContact O-OH 3.11Å; K668-F713 HydrophobicContact CG-CE2 4.27Å; K668-F713 HydrophobicContact CG-CZ 3.88Å; K668-T1037 HydrophobicContact CD-CG2 4.43Å; K668-T1037 PolarHBondContact NZ-O 2.71Å; K668-T1037 VanDerWaalsContact NZ-O 3.17Å
669	F	93.7	Very high	95.7	Very high	9 Å²	9	11.4 Å²	11.4	4%	0.039	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-86.6	-7.4	177.3	-51.2	-51.7	0	0	0	113.9	A499 L502 L631 C633 A666 V667 M1033 M1036	A499-F669 HydrophobicContact CB-CD1 4.14Å; A499-F669 HydrophobicContact CB-CE1 3.55Å; A499-F669 HydrophobicContact CB-CZ 4.33Å; L502-F669 HydrophobicContact CD1-CD1 4.18Å; L631-F669 WeakPolarHBondContact O-CD2 3.26Å; C633-F669 HydrophobicContact CB-CD1 3.67Å; C633-F669 HydrophobicContact CB-CE1 3.89Å; C633-F669 HydrophobicContact CB-CG 4.28Å; A666-F669 HydrophobicContact CB-CD2 4.39Å; A666-F669 WeakPolarHBondContact O-CB 3.48Å; A666-F669 PolarHBondContact O-N 3.43Å; V667-F669 PolarHBondContact O-N 3.22Å; F669-M1033 HydrophobicContact CE2-CB 4.34Å; F669-M1033 HydrophobicContact CE2-CE 4.34Å; F669-M1033 HydrophobicContact CE2-CG 4.34Å; F669-M1036 HydrophobicContact CE1-CB 3.72Å; F669-M1036 HydrophobicContact CE1-CE 3.93Å; F669-M1036 HydrophobicContact CE1-CG 4.49Å; F669-M1036 HydrophobicContact CE1-SD 3.96Å; F669-M1036 HydrophobicContact CE2-CE 4.14Å; F669-M1036 HydrophobicContact CZ-CB 3.64Å; F669-M1036 HydrophobicContact CZ-CE 3.54Å; F669-M1036 HydrophobicContact CZ-CG 4.47Å; F669-M1036 HydrophobicContact CZ-SD 4.13Å
670	E	95.9	Very high	95.9	Very high	15 Å²	15	10.6 Å²	10.6	7%	0.07	6%	0.057	C	C	.	.			trans	-67.7	130.4	175.5	-65.2	-64.4	155.5	0	0	109.9	R641 V667 Y672 S675 R712	R641-E670 IonicContact CZ-OE1 3.71Å; R641-E670 VanDerWaalsContact CZ-OE1 3.26Å; R641-E670 IonicContact NE-OE1 3.61Å; R641-E670 PolarHBondContact NE-OE1 3.05Å; R641-E670 IonicContact NE-OE2 3.27Å; R641-E670 PolarHBondContact NE-OE2 3.03Å; R641-E670 IonicContact NH2-OE1 2.66Å; R641-E670 PolarHBondContact NH2-OE1 3.04Å; V667-E670 WeakPolarHBondContact O-CB 3.45Å; V667-E670 PolarHBondContact O-N 2.77Å; E670-Y672 VanDerWaalsContact C-N 3.33Å; E670-S675 WeakPolarHBondContact CG-OG 3.44Å; E670-S675 VanDerWaalsContact OE2-CB 3.28Å; E670-S675 WeakPolarHBondContact OE2-CB 3.47Å; E670-R712 PolarHBondContact O-NH1 3.25Å; E670-R712 PolarHBondContact O-NH2 2.94Å
671	P	95	Very high	96	Very high	16 Å²	16	10.6 Å²	10.6	10%	0.104	6%	0.057	C	C	.	.	S	Bend	trans	-64.4	-41.2	175.8	-20.8	31.6	0	0	0	111.6	L467 S636 R712	L467-P671 HydrophobicContact CD2-CB 4.15Å; S636-P671 WeakPolarHBondContact O-CG 3.31Å; P671-R712 PolarHBondContact O-NH2 3.34Å
672	Y	95.9	Very high	96.2	Very high	17 Å²	17	10.1 Å²	10.1	7%	0.067	5%	0.054	C	C	.	.	S	Bend	trans	-108.7	157.6	-175.4	-56.9	-79.8	0	0	0	112	E172 K425 G426 L467 I469 H471 E670	E172-Y672 WeakPolarHBondContact OE1-CA 3.48Å; E172-Y672 WeakPolarHBondContact OE1-CB 3.18Å; K425-Y672 HydrophobicContact CD-CE2 4.47Å; K425-Y672 HydrophobicContact CG-CE2 3.99Å; K425-Y672 WeakPolarHBondContact CG-OH 3.43Å; G426-Y672 PolarHBondContact N-OH 3.24Å; L467-Y672 HydrophobicContact CD1-CD1 3.88Å; L467-Y672 HydrophobicContact CD1-CE1 3.76Å; L467-Y672 HydrophobicContact CD2-CE1 4.4Å; I469-Y672 WeakPolarHBondContact O-CE1 3.42Å; I469-Y672 PolarHBondContact O-OH 3.16Å; H471-Y672 HydrophobicContact CB-CD1 4.11Å; E670-Y672 VanDerWaalsContact C-N 3.33Å
673	H	96.1	Very high	96.6	Very high	18 Å²	18	12.5 Å²	12.5	8%	0.083	7%	0.065	C	C	.	.	S	Bend	trans	-68.6	-41.7	177.6	-67.6	-64.9	0	0	0	112.8	E172 L173 T176 R712	E172-H673 VanDerWaalsContact CD-CD2 3.42Å; E172-H673 HydrophobicContact CG-CB 4.5Å; E172-H673 IonicContact OE1-CD2 3.24Å; E172-H673 PolarHBondContact OE1-CD2 3.43Å; E172-H673 IonicContact OE1-CG 2.64Å; E172-H673 PolarHBondContact OE1-N 2.66Å; E172-H673 IonicContact OE2-CD2 2.59Å; L173-H673 WeakPolarHBondContact CD2-NE2 3.37Å; T176-H673 HydrophobicContact CG2-CB 3.97Å; T176-H673 VanDerWaalsContact OG1-CB 3.3Å; T176-H673 WeakPolarHBondContact OG1-CB 3.38Å; H673-R712 VanDerWaalsContact ND1-CB 3.26Å; H673-R712 WeakPolarHBondContact ND1-CB 3.22Å; H673-R712 WeakPolarHBondContact ND1-CG 3.47Å; H673-R712 PolarHBondContact ND1-NE 2.8Å; H673-R712 VanDerWaalsContact ND1-NE 3.18Å
674	D	96.4	Very high	96.7	Very high	13 Å²	13	13 Å²	13	7%	0.07	7%	0.066	C	C	.	.	S	Bend	trans	-88.7	114	172.1	-175.8	16.8	0	0	0	110.4	T176 R179 R679	T176-D674 HydrophobicContact CG2-CB 3.96Å; R179-D674 WeakPolarHBondContact CB-OD2 3.32Å; R179-D674 VanDerWaalsContact CD-OD2 3.23Å; R179-D674 WeakPolarHBondContact CD-OD2 3.48Å; R179-D674 IonicContact CZ-OD2 2.75Å; R179-D674 IonicContact NE-OD2 3.16Å; R179-D674 PolarHBondContact NE-OD2 2.92Å; R179-D674 IonicContact NH1-OD2 3.83Å; R179-D674 PolarHBondContact NH1-OD2 3.39Å; D674-R679 IonicContact OD1-CZ 3.79Å; D674-R679 IonicContact OD1-NE 3.36Å; D674-R679 PolarHBondContact OD1-NE 3.1Å; D674-R679 IonicContact OD1-NH2 2.64Å; D674-R679 PolarHBondContact OD1-NH2 3.1Å; D674-R679 IonicContact OD2-CZ 3.62Å; D674-R679 IonicContact OD2-NE 2.69Å; D674-R679 IonicContact OD2-NH2 2.64Å; D674-R679 PolarHBondContact OD2-NH2 3.13Å
675	S	97.1	Very high	96.8	Very high	9 Å²	9	13 Å²	13	6%	0.063	7%	0.066	C	C	.	.			trans	-142.6	162.1	-178.9	70.6	0	0	0	0	111.5	E670 L677 A678 R679	E670-S675 WeakPolarHBondContact CG-OG 3.44Å; E670-S675 VanDerWaalsContact OE2-CB 3.28Å; E670-S675 WeakPolarHBondContact OE2-CB 3.47Å; S675-L677 PolarHBondContact O-N 3.14Å; S675-A678 PolarHBondContact O-N 2.94Å; S675-A678 WeakPolarHBondContact OG-CB 3.3Å; S675-A678 PolarHBondContact OG-N 3.13Å; S675-A678 VanDerWaalsContact OG-N 3.17Å; S675-R679 WeakPolarHBondContact O-CG 3.35Å; S675-R679 PolarHBondContact O-N 3.4Å
676	A	98	Very high	97.1	Very high	41 Å²	41	12.4 Å²	12.4	34%	0.339	6%	0.064	S	C	.	.	H	α-helix	trans	-56.7	-40.1	175.3	0	0	0	0	0	111.6	A642 V645 R679 F680	A642-A676 HydrophobicContact CB-CB 4.5Å; V645-A676 HydrophobicContact CB-CB 4.02Å; V645-A676 HydrophobicContact CG1-CB 4.07Å; V645-A676 HydrophobicContact CG2-CB 3.94Å; A676-R679 PolarHBondContact O-N 2.94Å; A676-F680 WeakPolarHBondContact O-CB 3.46Å; A676-F680 PolarHBondContact O-N 3.44Å
677	L	98.6	Very high	97.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67.3	-44.2	-180	178.3	62.4	0	0	0	112	L631 V645 L648 L663 A666 V667 S675 R679 F680 L681	L631-L677 HydrophobicContact CD1-CD1 4.39Å; V645-L677 HydrophobicContact CG2-CB 3.95Å; V645-L677 HydrophobicContact CG2-CD1 4.5Å; L648-L677 HydrophobicContact CD1-CD1 4.36Å; L663-L677 HydrophobicContact CD2-CD1 4.1Å; A666-L677 HydrophobicContact CB-CD2 3.71Å; V667-L677 HydrophobicContact CG2-CD2 3.92Å; V667-L677 HydrophobicContact CG2-CG 4.09Å; S675-L677 PolarHBondContact O-N 3.14Å; L677-R679 VanDerWaalsContact C-N 3.31Å; L677-R679 PolarHBondContact O-N 2.76Å; L677-F680 HydrophobicContact CD1-CD1 4.42Å; L677-F680 WeakPolarHBondContact O-CB 3.32Å; L677-F680 PolarHBondContact O-N 3.42Å; L677-L681 HydrophobicContact CD1-CG 4.46Å; L677-L681 HydrophobicContact CG-CD1 4.48Å; L677-L681 WeakPolarHBondContact O-CG 3.49Å; L677-L681 PolarHBondContact O-N 3.4Å
678	A	98.5	Very high	97.4	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-61.2	-41.9	176.5	0	0	0	0	0	111.5	S675 L681 L682 I716	S675-A678 PolarHBondContact O-N 2.94Å; S675-A678 WeakPolarHBondContact OG-CB 3.3Å; S675-A678 PolarHBondContact OG-N 3.13Å; S675-A678 VanDerWaalsContact OG-N 3.17Å; A678-L681 PolarHBondContact O-N 2.9Å; A678-L682 WeakPolarHBondContact O-CB 3.36Å; A678-L682 PolarHBondContact O-N 3.45Å; A678-I716 HydrophobicContact CB-CD1 3.89Å; A678-I716 HydrophobicContact CB-CG1 4.31Å
679	R	98.5	Very high	97.6	Very high	53 Å²	53	19.6 Å²	19.6	20%	0.2	9%	0.093	C	C	.	.	H	α-helix	trans	-65.8	-38.8	175.1	-67.6	178.8	-177.1	-147.8	-1	112.6	R179 L180 P183 D328 D674 S675 A676 L677 K683	R179-R679 VanDerWaalsContact NH2-NH2 3.18Å; L180-R679 HydrophobicContact CD2-CG 3.98Å; P183-R679 HydrophobicContact CG-CG 4.45Å; D328-R679 IonicContact OD1-NH1 3.44Å; D328-R679 PolarHBondContact OD1-NH1 3.3Å; D674-R679 IonicContact OD1-CZ 3.79Å; D674-R679 IonicContact OD1-NE 3.36Å; D674-R679 PolarHBondContact OD1-NE 3.1Å; D674-R679 IonicContact OD1-NH2 2.64Å; D674-R679 PolarHBondContact OD1-NH2 3.1Å; D674-R679 IonicContact OD2-CZ 3.62Å; D674-R679 IonicContact OD2-NE 2.69Å; D674-R679 IonicContact OD2-NH2 2.64Å; D674-R679 PolarHBondContact OD2-NH2 3.13Å; S675-R679 WeakPolarHBondContact O-CG 3.35Å; S675-R679 PolarHBondContact O-N 3.4Å; A676-R679 PolarHBondContact O-N 2.94Å; L677-R679 VanDerWaalsContact C-N 3.31Å; L677-R679 PolarHBondContact O-N 2.76Å; R679-K683 VanDerWaalsContact O-CB 3.25Å; R679-K683 WeakPolarHBondContact O-CB 3.49Å; R679-K683 PolarHBondContact O-N 2.92Å
680	F	98.8	Very high	97.8	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-60.3	-51.2	174.7	168.5	-97.6	0	0	0	111.1	V645 L648 V656 L663 A676 L677 L682 K683 R684	V645-F680 HydrophobicContact CG1-CB 3.72Å; V645-F680 HydrophobicContact CG1-CD2 4.49Å; V645-F680 HydrophobicContact CG1-CG 4.23Å; L648-F680 HydrophobicContact CB-CD2 4.49Å; L648-F680 HydrophobicContact CB-CE1 4.25Å; L648-F680 HydrophobicContact CB-CE2 3.99Å; L648-F680 HydrophobicContact CB-CZ 3.86Å; L648-F680 HydrophobicContact CD1-CE1 4.47Å; L648-F680 WeakPolarHBondContact O-CE2 3.4Å; V656-F680 HydrophobicContact CG2-CZ 4.06Å; L663-F680 HydrophobicContact CD1-CE1 4.11Å; A676-F680 WeakPolarHBondContact O-CB 3.46Å; A676-F680 PolarHBondContact O-N 3.44Å; L677-F680 HydrophobicContact CD1-CD1 4.42Å; L677-F680 WeakPolarHBondContact O-CB 3.32Å; L677-F680 PolarHBondContact O-N 3.42Å; F680-L682 PolarHBondContact O-N 3.32Å; F680-K683 PolarHBondContact O-N 2.97Å; F680-R684 HydrophobicContact CD1-CG 4.46Å; F680-R684 HydrophobicContact CD2-CG 4.03Å; F680-R684 HydrophobicContact CE1-CG 4.09Å; F680-R684 HydrophobicContact CE2-CG 3.64Å; F680-R684 HydrophobicContact CG-CG 4.44Å; F680-R684 HydrophobicContact CZ-CG 3.68Å; F680-R684 WeakPolarHBondContact O-CG 3.49Å; F680-R684 PolarHBondContact O-N 3.06Å
681	L	98.8	Very high	97.9	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-59.2	-46.5	178.5	-70.7	174.3	0	0	0	111.8	L660 L663 V664 V667 L677 A678 K683 R684 G685 L695	L660-L681 HydrophobicContact CD1-CD2 3.77Å; L663-L681 HydrophobicContact CB-CD2 3.91Å; V664-L681 HydrophobicContact CG2-CD1 4.24Å; V667-L681 HydrophobicContact CG2-CD1 3.6Å; L677-L681 HydrophobicContact CD1-CG 4.46Å; L677-L681 HydrophobicContact CG-CD1 4.48Å; L677-L681 WeakPolarHBondContact O-CG 3.49Å; L677-L681 PolarHBondContact O-N 3.4Å; A678-L681 PolarHBondContact O-N 2.9Å; L681-K683 VanDerWaalsContact C-N 3.35Å; L681-K683 PolarHBondContact O-N 3.22Å; L681-R684 PolarHBondContact O-N 3.41Å; L681-G685 PolarHBondContact O-N 3.45Å; L681-L695 HydrophobicContact CB-CD1 4.3Å; L681-L695 WeakPolarHBondContact O-CD2 3.47Å
682	L	98.8	Very high	98.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-57	-48.6	176.1	178.6	62.1	0	0	0	111.4	L180 R184 A678 F680 G685 L686 A719	L180-L682 HydrophobicContact CB-CD2 4.23Å; L180-L682 HydrophobicContact CD2-CD2 4.11Å; R184-L682 HydrophobicContact CB-CD2 4.34Å; A678-L682 WeakPolarHBondContact O-CB 3.36Å; A678-L682 PolarHBondContact O-N 3.45Å; F680-L682 PolarHBondContact O-N 3.32Å; L682-G685 PolarHBondContact O-N 3.27Å; L682-L686 HydrophobicContact CD1-CD1 3.76Å; L682-L686 HydrophobicContact CD1-CG 4.18Å; L682-L686 HydrophobicContact CG-CD1 3.87Å; L682-L686 WeakPolarHBondContact O-CB 3.4Å; L682-L686 VanDerWaalsContact O-CG 3.24Å; L682-L686 WeakPolarHBondContact O-CG 3.41Å; L682-L686 PolarHBondContact O-N 3.42Å; L682-A719 HydrophobicContact CD1-CB 3.96Å; L682-A719 HydrophobicContact CD2-CB 3.91Å
683	K	98.6	Very high	98.3	Very high	51 Å²	51	18.3 Å²	18.3	22%	0.222	9%	0.085	C	C	.	.	H	α-helix	trans	-60.7	-49.4	179.4	-179.7	176.7	47	175.3	0	112.1	E187 E649 R679 F680 L681 G685 L686 R687	E187-K683 HydrophobicContact CG-CG 4.12Å; E187-K683 VanDerWaalsContact OE2-CG 3.23Å; E187-K683 WeakPolarHBondContact OE2-CG 3.49Å; E649-K683 IonicContact OE1-NZ 2.88Å; E649-K683 PolarHBondContact OE1-NZ 3.42Å; E649-K683 WeakPolarHBondContact OE2-CE 3.32Å; E649-K683 IonicContact OE2-NZ 3.76Å; E649-K683 PolarHBondContact OE2-NZ 3.41Å; R679-K683 VanDerWaalsContact O-CB 3.25Å; R679-K683 WeakPolarHBondContact O-CB 3.49Å; R679-K683 PolarHBondContact O-N 2.92Å; F680-K683 PolarHBondContact O-N 2.97Å; L681-K683 VanDerWaalsContact C-N 3.35Å; L681-K683 PolarHBondContact O-N 3.22Å; K683-G685 VanDerWaalsContact C-N 3.34Å; K683-G685 PolarHBondContact O-N 3.29Å; K683-L686 PolarHBondContact O-N 3.34Å; K683-R687 WeakPolarHBondContact O-CB 3.38Å; K683-R687 PolarHBondContact O-N 3.05Å
684	R	98.4	Very high	98.4	Very high	11 Å²	11	19 Å²	19	4%	0.042	9%	0.087	C	C	.	.	H	α-helix	trans	-64.5	-39	179.9	-61.8	-57	-69.2	-95.5	2	111.9	L651 E652 D653 V656 F680 L681 R687 N688 I691	L651-R684 VanDerWaalsContact O-CZ 3.24Å; L651-R684 PolarHBondContact O-NH1 2.96Å; L651-R684 PolarHBondContact O-NH2 3.41Å; E652-R684 VanDerWaalsContact C-NH2 3.3Å; E652-R684 PolarHBondContact O-NH2 2.67Å; D653-R684 IonicContact OD1-CZ 3.27Å; D653-R684 IonicContact OD1-NE 3.6Å; D653-R684 PolarHBondContact OD1-NE 3.33Å; D653-R684 IonicContact OD1-NH2 3.48Å; D653-R684 PolarHBondContact OD1-NH2 3.36Å; V656-R684 VanDerWaalsContact CG2-CZ 3.4Å; F680-R684 HydrophobicContact CD1-CG 4.46Å; F680-R684 HydrophobicContact CD2-CG 4.03Å; F680-R684 HydrophobicContact CE1-CG 4.09Å; F680-R684 HydrophobicContact CE2-CG 3.64Å; F680-R684 HydrophobicContact CG-CG 4.44Å; F680-R684 HydrophobicContact CZ-CG 3.68Å; F680-R684 WeakPolarHBondContact O-CG 3.49Å; F680-R684 PolarHBondContact O-N 3.06Å; L681-R684 PolarHBondContact O-N 3.41Å; R684-R687 PolarHBondContact O-N 2.9Å; R684-N688 PolarHBondContact O-N 3.2Å; R684-N688 VanDerWaalsContact O-N 3.16Å; R684-I691 HydrophobicContact CB-CD1 4.35Å; R684-I691 HydrophobicContact CB-CG2 4.15Å
685	G	98.6	Very high	98.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.2	-38.4	174.9	0	0	0	0	0	113.7	L681 L682 K683 R687 G692	L681-G685 PolarHBondContact O-N 3.45Å; L682-G685 PolarHBondContact O-N 3.27Å; K683-G685 VanDerWaalsContact C-N 3.34Å; K683-G685 PolarHBondContact O-N 3.29Å; G685-R687 VanDerWaalsContact C-N 3.34Å; G685-G692 WeakPolarHBondContact O-CA 3.06Å
686	L	98.7	Very high	98.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-76.8	-20.3	178.3	-70.3	170.4	0	0	0	114.1	R184 E187 R191 Y196 L682 K683 Y720 G723	R184-L686 HydrophobicContact CB-CD1 4.04Å; R184-L686 HydrophobicContact CG-CD1 3.57Å; E187-L686 HydrophobicContact CB-CB 4.3Å; E187-L686 HydrophobicContact CB-CD1 4.38Å; E187-L686 HydrophobicContact CG-CB 3.73Å; R191-L686 WeakPolarHBondContact CD-O 3.38Å; R191-L686 PolarHBondContact NH1-O 2.89Å; Y196-L686 WeakPolarHBondContact CE2-O 3.34Å; L682-L686 HydrophobicContact CD1-CD1 3.76Å; L682-L686 HydrophobicContact CD1-CG 4.18Å; L682-L686 HydrophobicContact CG-CD1 3.87Å; L682-L686 WeakPolarHBondContact O-CB 3.4Å; L682-L686 VanDerWaalsContact O-CG 3.24Å; L682-L686 WeakPolarHBondContact O-CG 3.41Å; L682-L686 PolarHBondContact O-N 3.42Å; K683-L686 PolarHBondContact O-N 3.34Å; L686-Y720 HydrophobicContact CD2-CD2 3.99Å; L686-Y720 HydrophobicContact CD2-CE2 4.47Å; L686-Y720 HydrophobicContact CG-CD2 4.27Å; L686-G723 WeakPolarHBondContact CD2-O 3.31Å
687	R	98.3	Very high	98.6	Very high	115 Å²	115	16 Å²	16	43%	0.434	7%	0.065	S	C	.	.	H	α-helix	trans	-84.2	-35.4	177.9	-169.5	172.3	-67.1	-176.9	-0.9	113.1	E187 Y196 K683 R684 G685	E187-R687 VanDerWaalsContact OE1-CB 3.25Å; E187-R687 WeakPolarHBondContact OE1-CB 3.43Å; E187-R687 WeakPolarHBondContact OE1-CG 3.26Å; E187-R687 IonicContact OE1-CZ 3.81Å; E187-R687 IonicContact OE1-NE 3.25Å; E187-R687 PolarHBondContact OE1-NE 3.35Å; E187-R687 IonicContact OE1-NH2 2.73Å; E187-R687 PolarHBondContact OE1-NH2 3.48Å; E187-R687 IonicContact OE2-CZ 3.55Å; E187-R687 IonicContact OE2-NE 3.93Å; E187-R687 IonicContact OE2-NH2 3.12Å; E187-R687 PolarHBondContact OE2-NH2 3.26Å; Y196-R687 WeakPolarHBondContact CD2-O 3.25Å; K683-R687 WeakPolarHBondContact O-CB 3.38Å; K683-R687 PolarHBondContact O-N 3.05Å; R684-R687 PolarHBondContact O-N 2.9Å; G685-R687 VanDerWaalsContact C-N 3.34Å
688	N	98.1	Very high	98.6	Very high	15 Å²	15	16.6 Å²	16.6	8%	0.08	7%	0.068	C	C	.	.			trans	-132.9	119.7	-173.6	-175.8	-59.5	0	0	0	110.9	D653 R684 R690 I691 G692	D653-N688 PolarHBondContact OD2-ND2 2.89Å; R684-N688 PolarHBondContact O-N 3.2Å; R684-N688 VanDerWaalsContact O-N 3.16Å; N688-R690 VanDerWaalsContact C-N 3.3Å; N688-R690 PolarHBondContact O-N 2.99Å; N688-R690 WeakPolarHBondContact OD1-CA 3.18Å; N688-R690 WeakPolarHBondContact OD1-CB 3.4Å; N688-R690 PolarHBondContact OD1-N 2.91Å; N688-I691 HydrophobicContact CB-CB 4.25Å; N688-I691 HydrophobicContact CB-CD1 3.99Å; N688-I691 HydrophobicContact CB-CG1 4.11Å; N688-I691 PolarHBondContact O-N 2.84Å; N688-I691 PolarHBondContact OD1-N 3.42Å; N688-G692 PolarHBondContact O-N 3.39Å
689	K	98.2	Very high	98.5	Very high	25 Å²	25	16.6 Å²	16.6	11%	0.109	7%	0.068	C	C	.	.	H	α-helix	trans	-60.1	-34.4	-177.2	-68.6	-168	175.1	178.7	0	114	Y196 H199 D316 G692 H693 M728	Y196-K689 HydrophobicContact CD1-CG 4.47Å; Y196-K689 HydrophobicContact CD2-CG 4.08Å; Y196-K689 HydrophobicContact CE1-CD 4.4Å; Y196-K689 HydrophobicContact CE1-CG 4.12Å; Y196-K689 HydrophobicContact CE2-CG 3.7Å; Y196-K689 HydrophobicContact CG-CG 4.47Å; Y196-K689 VanDerWaalsContact O-CD 3.26Å; Y196-K689 WeakPolarHBondContact O-CD 3.41Å; Y196-K689 WeakPolarHBondContact O-CE 3.49Å; Y196-K689 WeakPolarHBondContact O-CG 3.43Å; H199-K689 HydrophobicContact CB-CB 4.05Å; H199-K689 HydrophobicContact CB-CG 4.44Å; D316-K689 VanDerWaalsContact OD1-CE 3.22Å; D316-K689 WeakPolarHBondContact OD1-CE 3.2Å; D316-K689 IonicContact OD1-NZ 3.43Å; D316-K689 PolarHBondContact OD1-NZ 3.35Å; D316-K689 WeakPolarHBondContact OD2-CE 3.46Å; D316-K689 IonicContact OD2-NZ 3.03Å; D316-K689 PolarHBondContact OD2-NZ 3.05Å; K689-G692 PolarHBondContact O-N 3.45Å; K689-H693 VanDerWaalsContact O-CB 3.27Å; K689-H693 WeakPolarHBondContact O-CB 3.37Å; K689-H693 PolarHBondContact O-N 3.45Å; K689-M728 HydrophobicContact CB-CE 4.44Å; K689-M728 HydrophobicContact CB-SD 3.62Å; K689-M728 HydrophobicContact CD-CG 3.98Å; K689-M728 HydrophobicContact CD-SD 3.81Å; K689-M728 HydrophobicContact CG-CE 4.07Å; K689-M728 HydrophobicContact CG-CG 4.29Å; K689-M728 HydrophobicContact CG-SD 3.52Å; K689-M728 VanDerWaalsContact CG-SD 3.52Å
690	R	98.4	Very high	98.5	Very high	24 Å²	24	15 Å²	15	9%	0.091	6%	0.062	C	C	.	.	H	α-helix	trans	-68.2	-43.9	178.8	-164.2	173	-172.6	95.3	4.9	110.7	W201 L657 N688 H693 F694 D788 P789	W201-R690 VanDerWaalsContact CE3-CZ 3.46Å; W201-R690 VanDerWaalsContact CZ3-CZ 3.49Å; W201-R690 VanDerWaalsContact CZ3-NH2 3.26Å; L657-R690 HydrophobicContact CD1-CG 4.05Å; L657-R690 HydrophobicContact CD2-CG 4.24Å; N688-R690 VanDerWaalsContact C-N 3.3Å; N688-R690 PolarHBondContact O-N 2.99Å; N688-R690 WeakPolarHBondContact OD1-CA 3.18Å; N688-R690 WeakPolarHBondContact OD1-CB 3.4Å; N688-R690 PolarHBondContact OD1-N 2.91Å; R690-H693 PolarHBondContact O-N 3.02Å; R690-F694 HydrophobicContact CG-CD2 4.35Å; R690-F694 HydrophobicContact CG-CE2 4.08Å; R690-F694 VanDerWaalsContact O-CD2 3.25Å; R690-F694 WeakPolarHBondContact O-CD2 3.15Å; R690-F694 PolarHBondContact O-N 2.76Å; R690-D788 IonicContact NH2-OD1 3.73Å; R690-P789 HydrophobicContact CG-CG 4.4Å
691	I	98.8	Very high	98.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.8	-47.9	173.1	-62	177.2	0	0	0	110.1	D653 V656 L657 L660 R684 N688 H693 F694 L695	D653-I691 HydrophobicContact CB-CD1 3.85Å; D653-I691 WeakPolarHBondContact OD1-CD1 3.29Å; V656-I691 HydrophobicContact CB-CD1 4.01Å; V656-I691 HydrophobicContact CG1-CD1 3.86Å; V656-I691 HydrophobicContact CG1-CG1 4.42Å; V656-I691 HydrophobicContact CG1-CG2 4.22Å; L657-I691 HydrophobicContact CD2-CB 4.48Å; L657-I691 HydrophobicContact CD2-CG1 3.85Å; L657-I691 HydrophobicContact CG-CG1 3.98Å; L660-I691 HydrophobicContact CD1-CG2 4.27Å; L660-I691 HydrophobicContact CD2-CG2 4.22Å; R684-I691 HydrophobicContact CB-CD1 4.35Å; R684-I691 HydrophobicContact CB-CG2 4.15Å; N688-I691 HydrophobicContact CB-CB 4.25Å; N688-I691 HydrophobicContact CB-CD1 3.99Å; N688-I691 HydrophobicContact CB-CG1 4.11Å; N688-I691 PolarHBondContact O-N 2.84Å; N688-I691 PolarHBondContact OD1-N 3.42Å; I691-H693 VanDerWaalsContact C-N 3.32Å; I691-H693 PolarHBondContact O-N 2.96Å; I691-F694 PolarHBondContact O-N 2.95Å; I691-L695 VanDerWaalsContact O-CB 3.25Å; I691-L695 WeakPolarHBondContact O-CB 3.34Å; I691-L695 PolarHBondContact O-N 3.38Å
692	G	98.8	Very high	98	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.4	-41	178.9	0	0	0	0	0	113.3	G685 N688 K689 L695 F696 Y720	G685-G692 WeakPolarHBondContact O-CA 3.06Å; N688-G692 PolarHBondContact O-N 3.39Å; K689-G692 PolarHBondContact O-N 3.45Å; G692-L695 PolarHBondContact O-N 3.45Å; G692-F696 WeakPolarHBondContact O-CB 3.06Å; G692-F696 PolarHBondContact O-N 3.12Å; G692-Y720 WeakPolarHBondContact CA-OH 3.2Å; G692-Y720 VanDerWaalsContact O-CZ 3.31Å; G692-Y720 PolarHBondContact O-OH 3.16Å; G692-Y720 VanDerWaalsContact O-OH 3.04Å
693	H	98.9	Very high	97.8	Very high	6 Å²	6	15.4 Å²	15.4	3%	0.028	6%	0.064	C	C	.	.	H	α-helix	trans	-60.8	-49.6	176.6	177.2	89	0	0	0	112.7	K689 R690 I691 F696 W697 F732 Q735 P786 P789	K689-H693 VanDerWaalsContact O-CB 3.27Å; K689-H693 WeakPolarHBondContact O-CB 3.37Å; K689-H693 PolarHBondContact O-N 3.45Å; R690-H693 PolarHBondContact O-N 3.02Å; I691-H693 VanDerWaalsContact C-N 3.32Å; I691-H693 PolarHBondContact O-N 2.96Å; H693-F696 WeakPolarHBondContact O-CB 3.44Å; H693-F696 PolarHBondContact O-N 3.14Å; H693-W697 AromaticContact CD2-CD1 3.99Å; H693-W697 AromaticContact CE1-CD1 3.75Å; H693-W697 AromaticContact CE1-NE1 3.43Å; H693-W697 PolarHBondContact CE1-NE1 3.34Å; H693-W697 AromaticContact NE2-CD1 3.54Å; H693-W697 AromaticContact NE2-NE1 3.64Å; H693-W697 VanDerWaalsContact O-CD1 3.3Å; H693-W697 PolarHBondContact O-N 3.39Å; H693-F732 AromaticContact ND1-CE1 3.77Å; H693-Q735 PolarHBondContact CE1-OE1 3.3Å; H693-P786 PolarHBondContact NE2-O 3.15Å; H693-P789 HydrophobicContact CB-CB 4.4Å; H693-P789 HydrophobicContact CB-CG 4.35Å
694	F	98.7	Very high	97.5	Very high	31 Å²	31	15 Å²	15	14%	0.136	7%	0.07	C	C	.	.	H	α-helix	trans	-71.6	-34.9	177.8	-72.2	-66.5	0	0	0	112.4	L657 L660 R690 I691 F696 W697 F698 Y787 P789 I870	L657-F694 HydrophobicContact CD2-CD2 3.9Å; L660-F694 HydrophobicContact CD2-CB 3.67Å; R690-F694 HydrophobicContact CG-CD2 4.35Å; R690-F694 HydrophobicContact CG-CE2 4.08Å; R690-F694 VanDerWaalsContact O-CD2 3.25Å; R690-F694 WeakPolarHBondContact O-CD2 3.15Å; R690-F694 PolarHBondContact O-N 2.76Å; I691-F694 PolarHBondContact O-N 2.95Å; F694-F696 VanDerWaalsContact C-N 3.3Å; F694-F696 PolarHBondContact O-N 2.91Å; F694-W697 PolarHBondContact O-N 3.05Å; F694-F698 HydrophobicContact CB-CE2 4.08Å; F694-F698 HydrophobicContact CB-CZ 4.06Å; F694-F698 HydrophobicContact CD1-CE1 4.38Å; F694-F698 HydrophobicContact CD1-CZ 4.26Å; F694-F698 HydrophobicContact CG-CZ 4.48Å; F694-F698 WeakPolarHBondContact O-CB 3.28Å; F694-F698 WeakPolarHBondContact O-CD1 3.4Å; F694-F698 WeakPolarHBondContact O-CD2 3.43Å; F694-F698 WeakPolarHBondContact O-CG 3.34Å; F694-F698 PolarHBondContact O-N 2.83Å; F694-Y787 WeakPolarHBondContact CZ-O 3.17Å; F694-P789 HydrophobicContact CE2-CG 4.44Å; F694-I870 HydrophobicContact CD1-CD1 4.13Å; F694-I870 HydrophobicContact CE1-CD1 4.3Å
695	L	98.8	Very high	96.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58.4	-43.7	173.3	179.8	63.9	0	0	0	111.1	L660 V664 L681 I691 G692 W697 L699	L660-L695 HydrophobicContact CD1-CD1 4.48Å; V664-L695 HydrophobicContact CG2-CD1 3.71Å; L681-L695 HydrophobicContact CB-CD1 4.3Å; L681-L695 WeakPolarHBondContact O-CD2 3.47Å; I691-L695 VanDerWaalsContact O-CB 3.25Å; I691-L695 WeakPolarHBondContact O-CB 3.34Å; I691-L695 PolarHBondContact O-N 3.38Å; G692-L695 PolarHBondContact O-N 3.45Å; L695-W697 PolarHBondContact O-N 3.05Å; L695-L699 HydrophobicContact CD1-CD1 3.77Å; L695-L699 HydrophobicContact CD1-CG 3.99Å; L695-L699 HydrophobicContact CG-CD1 3.83Å; L695-L699 HydrophobicContact CG-CG 4.41Å; L695-L699 WeakPolarHBondContact O-CB 3.37Å; L695-L699 VanDerWaalsContact O-CG 3.23Å; L695-L699 WeakPolarHBondContact O-CG 3.48Å; L695-L699 PolarHBondContact O-N 3.38Å
696	F	98.9	Very high	96.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-54.8	-53	174.7	171.6	-90.2	0	0	0	111.5	L157 G692 H693 F694 R700 L717 Y720 L721 F732 V736	L157-F696 HydrophobicContact CB-CE2 4.45Å; G692-F696 WeakPolarHBondContact O-CB 3.06Å; G692-F696 PolarHBondContact O-N 3.12Å; H693-F696 WeakPolarHBondContact O-CB 3.44Å; H693-F696 PolarHBondContact O-N 3.14Å; F694-F696 VanDerWaalsContact C-N 3.3Å; F694-F696 PolarHBondContact O-N 2.91Å; F696-R700 VanDerWaalsContact O-CB 3.22Å; F696-R700 WeakPolarHBondContact O-CB 3.48Å; F696-R700 PolarHBondContact O-N 3.48Å; F696-L717 HydrophobicContact CB-CD1 4.33Å; F696-L717 HydrophobicContact CD2-CD1 3.68Å; F696-L717 HydrophobicContact CE2-CD1 4.4Å; F696-L717 HydrophobicContact CG-CD1 4.33Å; F696-Y720 HydrophobicContact CB-CE1 4.05Å; F696-L721 HydrophobicContact CD2-CD2 3.83Å; F696-L721 HydrophobicContact CE2-CD1 4.36Å; F696-L721 HydrophobicContact CE2-CD2 3.96Å; F696-F732 HydrophobicContact CB-CD1 4.28Å; F696-F732 HydrophobicContact CB-CE1 3.59Å; F696-F732 HydrophobicContact CB-CE2 4.29Å; F696-F732 HydrophobicContact CB-CZ 3.6Å; F696-F732 AromaticContact CD1-CD1 3.4Å; F696-F732 HydrophobicContact CD1-CD1 3.4Å; F696-F732 VanDerWaalsContact CD1-CD1 3.4Å; F696-F732 AromaticContact CD1-CE1 3.48Å; F696-F732 HydrophobicContact CD1-CE1 3.48Å; F696-F732 VanDerWaalsContact CD1-CE1 3.48Å; F696-F732 HydrophobicContact CD1-CG 4.18Å; F696-F732 HydrophobicContact CD1-CZ 4.3Å; F696-F732 AromaticContact CD2-CD1 3.97Å; F696-F732 HydrophobicContact CD2-CD1 3.97Å; F696-F732 HydrophobicContact CD2-CD2 4.06Å; F696-F732 HydrophobicContact CD2-CE1 4.09Å; F696-F732 HydrophobicContact CD2-CE2 4.18Å; F696-F732 AromaticContact CD2-CG 3.97Å; F696-F732 HydrophobicContact CD2-CG 3.97Å; F696-F732 HydrophobicContact CD2-CZ 4.2Å; F696-F732 HydrophobicContact CE1-CB 4.39Å; F696-F732 AromaticContact CE1-CD1 3.62Å; F696-F732 HydrophobicContact CE1-CD1 3.62Å; F696-F732 HydrophobicContact CE1-CE1 4.19Å; F696-F732 HydrophobicContact CE1-CG 4.16Å; F696-F732 HydrophobicContact CE2-CB 4.14Å; F696-F732 HydrophobicContact CE2-CD1 4.17Å; F696-F732 HydrophobicContact CE2-CD2 4.33Å; F696-F732 AromaticContact CE2-CG 3.97Å; F696-F732 HydrophobicContact CE2-CG 3.97Å; F696-F732 AromaticContact CG-CD1 3.61Å; F696-F732 HydrophobicContact CG-CD1 3.61Å; F696-F732 HydrophobicContact CG-CD2 4.37Å; F696-F732 AromaticContact CG-CE1 3.44Å; F696-F732 HydrophobicContact CG-CE1 3.44Å; F696-F732 VanDerWaalsContact CG-CE1 3.44Å; F696-F732 HydrophobicContact CG-CE2 4.24Å; F696-F732 HydrophobicContact CG-CG 4.1Å; F696-F732 AromaticContact CG-CZ 3.78Å; F696-F732 HydrophobicContact CG-CZ 3.78Å; F696-F732 HydrophobicContact CZ-CB 4.01Å; F696-F732 HydrophobicContact CZ-CD1 4Å; F696-F732 HydrophobicContact CZ-CG 4.06Å; F696-V736 HydrophobicContact CE1-CG2 4.39Å; F696-V736 HydrophobicContact CZ-CG2 4.02Å
697	W	98.6	Very high	96	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.6	-39.9	-176	-76	114	0	0	0	113.1	H693 F694 L695 R700 S701 Q735 V736 I739 P786 I870 T872	H693-W697 AromaticContact CD2-CD1 3.99Å; H693-W697 AromaticContact CE1-CD1 3.75Å; H693-W697 AromaticContact CE1-NE1 3.43Å; H693-W697 PolarHBondContact CE1-NE1 3.34Å; H693-W697 AromaticContact NE2-CD1 3.54Å; H693-W697 AromaticContact NE2-NE1 3.64Å; H693-W697 VanDerWaalsContact O-CD1 3.3Å; H693-W697 PolarHBondContact O-N 3.39Å; F694-W697 PolarHBondContact O-N 3.05Å; L695-W697 PolarHBondContact O-N 3.05Å; W697-R700 PolarHBondContact O-N 3.26Å; W697-S701 WeakPolarHBondContact O-CB 3.3Å; W697-S701 PolarHBondContact O-N 3.25Å; W697-S701 PolarHBondContact O-OG 2.97Å; W697-S701 VanDerWaalsContact O-OG 3.11Å; W697-Q735 HydrophobicContact CH2-CB 4.35Å; W697-Q735 HydrophobicContact CZ2-CB 3.73Å; W697-Q735 HydrophobicContact CZ2-CG 4.49Å; W697-V736 HydrophobicContact CH2-CG2 4.03Å; W697-I739 HydrophobicContact CH2-CD1 3.14Å; W697-I739 HydrophobicContact CZ2-CD1 3.86Å; W697-I739 HydrophobicContact CZ3-CD1 3.68Å; W697-P786 HydrophobicContact CZ2-CB 4.33Å; W697-P786 HydrophobicContact CZ2-CG 4.29Å; W697-I870 HydrophobicContact CB-CD1 3.44Å; W697-I870 VanDerWaalsContact CB-CD1 3.44Å; W697-I870 HydrophobicContact CB-CG1 4.04Å; W697-I870 HydrophobicContact CG-CD1 3.62Å; W697-I870 HydrophobicContact CG-CG1 4.42Å; W697-T872 HydrophobicContact CE3-CG2 4.01Å; W697-T872 HydrophobicContact CZ3-CG2 3.95Å
698	F	97.6	Very high	95.8	Very high	14 Å²	14	19.4 Å²	19.4	6%	0.061	9%	0.091	C	C	.	.	H	α-helix	trans	-65.2	-42.3	178.1	-62.6	-13.6	0	0	0	111.9	L660 L661 V664 F694 S701 E702 M842	L660-F698 HydrophobicContact CB-CE2 4.07Å; L660-F698 HydrophobicContact CD2-CD2 4.14Å; L660-F698 HydrophobicContact CD2-CE2 3.91Å; L660-F698 HydrophobicContact CG-CD2 3.93Å; L660-F698 HydrophobicContact CG-CE2 3.85Å; L661-F698 HydrophobicContact CB-CD2 4.26Å; L661-F698 HydrophobicContact CB-CE2 3.88Å; L661-F698 HydrophobicContact CB-CZ 4.28Å; L661-F698 HydrophobicContact CD1-CD1 4.23Å; L661-F698 HydrophobicContact CD1-CD2 4.14Å; L661-F698 HydrophobicContact CD1-CE1 4.48Å; L661-F698 HydrophobicContact CD1-CE2 4.38Å; L661-F698 HydrophobicContact CD1-CG 4.07Å; V664-F698 HydrophobicContact CB-CB 4.49Å; V664-F698 HydrophobicContact CG1-CB 4.18Å; V664-F698 HydrophobicContact CG2-CB 4.24Å; V664-F698 HydrophobicContact CG2-CD2 4.36Å; F694-F698 HydrophobicContact CB-CE2 4.08Å; F694-F698 HydrophobicContact CB-CZ 4.06Å; F694-F698 HydrophobicContact CD1-CE1 4.38Å; F694-F698 HydrophobicContact CD1-CZ 4.26Å; F694-F698 HydrophobicContact CG-CZ 4.48Å; F694-F698 WeakPolarHBondContact O-CB 3.28Å; F694-F698 WeakPolarHBondContact O-CD1 3.4Å; F694-F698 WeakPolarHBondContact O-CD2 3.43Å; F694-F698 WeakPolarHBondContact O-CG 3.34Å; F694-F698 PolarHBondContact O-N 2.83Å; F698-S701 PolarHBondContact O-OG 3.29Å; F698-E702 PolarHBondContact O-N 3.3Å; F698-M842 HydrophobicContact CD1-CE 3.55Å; F698-M842 HydrophobicContact CE1-CE 3.41Å; F698-M842 VanDerWaalsContact CE1-CE 3.41Å
699	L	98.3	Very high	95.5	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-65.6	-48.3	174.2	-68	173.3	0	0	0	111	V664 L695 S701 E702 I703 F713 I716 L717	V664-L699 HydrophobicContact CG1-CD2 4.07Å; L695-L699 HydrophobicContact CD1-CD1 3.77Å; L695-L699 HydrophobicContact CD1-CG 3.99Å; L695-L699 HydrophobicContact CG-CD1 3.83Å; L695-L699 HydrophobicContact CG-CG 4.41Å; L695-L699 WeakPolarHBondContact O-CB 3.37Å; L695-L699 VanDerWaalsContact O-CG 3.23Å; L695-L699 WeakPolarHBondContact O-CG 3.48Å; L695-L699 PolarHBondContact O-N 3.38Å; L699-S701 VanDerWaalsContact C-N 3.34Å; L699-S701 PolarHBondContact O-N 2.88Å; L699-E702 PolarHBondContact O-N 3.36Å; L699-I703 WeakPolarHBondContact O-CD1 3.16Å; L699-I703 VanDerWaalsContact O-CG1 3.23Å; L699-I703 WeakPolarHBondContact O-CG1 3.47Å; L699-I703 PolarHBondContact O-N 3.12Å; L699-F713 HydrophobicContact CD2-CB 3.97Å; L699-F713 HydrophobicContact CD2-CD1 3.26Å; L699-F713 HydrophobicContact CD2-CE1 3.94Å; L699-F713 HydrophobicContact CD2-CG 3.9Å; L699-I716 HydrophobicContact CD1-CB 4.33Å; L699-I716 HydrophobicContact CD1-CG2 3.84Å; L699-L717 HydrophobicContact CB-CB 4.42Å; L699-L717 HydrophobicContact CB-CD1 4.27Å; L699-L717 HydrophobicContact CB-CD2 4.37Å; L699-L717 HydrophobicContact CD1-CB 4.15Å; L699-L717 HydrophobicContact CD1-CD1 4.07Å
700	R	97.6	Very high	95.4	Very high	20 Å²	20	19 Å²	19	8%	0.075	9%	0.089	C	C	.	.	H	α-helix	trans	-61.1	-39.9	-178.2	-168	-178	-167.6	-82.9	-2.1	112.7	L157 F696 W697 E702 I703 A704 L717 T872	L157-R700 WeakPolarHBondContact O-CD 2.72Å; L157-R700 PolarHBondContact O-NE 3.22Å; F696-R700 VanDerWaalsContact O-CB 3.22Å; F696-R700 WeakPolarHBondContact O-CB 3.48Å; F696-R700 PolarHBondContact O-N 3.48Å; W697-R700 PolarHBondContact O-N 3.26Å; R700-E702 VanDerWaalsContact C-N 3.34Å; R700-I703 PolarHBondContact O-N 2.84Å; R700-A704 PolarHBondContact O-N 3.04Å; R700-A704 VanDerWaalsContact O-N 3.14Å; R700-L717 HydrophobicContact CB-CD2 4.28Å; R700-T872 PolarHBondContact NH1-O 3.32Å
701	S	93.7	Very high	95.2	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-63.2	-40.8	176.5	57.5	0	0	0	0	112.2	W697 F698 L699 A704 Q705	W697-S701 WeakPolarHBondContact O-CB 3.3Å; W697-S701 PolarHBondContact O-N 3.25Å; W697-S701 PolarHBondContact O-OG 2.97Å; W697-S701 VanDerWaalsContact O-OG 3.11Å; F698-S701 PolarHBondContact O-OG 3.29Å; L699-S701 VanDerWaalsContact C-N 3.34Å; L699-S701 PolarHBondContact O-N 2.88Å; S701-A704 PolarHBondContact O-N 3.04Å; S701-Q705 WeakPolarHBondContact O-CB 2.81Å; S701-Q705 WeakPolarHBondContact O-CG 3.16Å; S701-Q705 PolarHBondContact O-N 3.18Å
702	E	92.4	Very high	95.1	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.009	9%	0.089	C	C	.	.	H	α-helix	trans	-71.3	-37.5	177.9	-72.3	-67	151.6	0	0	112.1	Q665 K668 F698 L699 R700 A704 Q705 S706 F713 R839	Q665-E702 PolarHBondContact NE2-OE1 2.94Å; K668-E702 VanDerWaalsContact CE-OE2 3.29Å; K668-E702 WeakPolarHBondContact CE-OE2 3.42Å; K668-E702 VanDerWaalsContact NZ-CD 3.35Å; K668-E702 IonicContact NZ-OE1 2.93Å; K668-E702 IonicContact NZ-OE2 3.58Å; K668-E702 PolarHBondContact NZ-OE2 2.72Å; F698-E702 PolarHBondContact O-N 3.3Å; L699-E702 PolarHBondContact O-N 3.36Å; R700-E702 VanDerWaalsContact C-N 3.34Å; E702-A704 VanDerWaalsContact C-N 3.27Å; E702-A704 PolarHBondContact O-N 3.24Å; E702-Q705 PolarHBondContact O-N 3.05Å; E702-S706 WeakPolarHBondContact O-CA 3.42Å; E702-S706 WeakPolarHBondContact O-CB 3.39Å; E702-S706 PolarHBondContact O-N 2.65Å; E702-F713 HydrophobicContact CB-CD2 3.61Å; E702-F713 HydrophobicContact CB-CE2 3.6Å; E702-F713 HydrophobicContact CB-CG 4.48Å; E702-F713 HydrophobicContact CB-CZ 4.45Å; E702-F713 HydrophobicContact CG-CD2 4.48Å; E702-F713 HydrophobicContact CG-CE2 4.02Å; E702-R839 VanDerWaalsContact OE1-CD 3.22Å; E702-R839 WeakPolarHBondContact OE1-CD 3.41Å; E702-R839 IonicContact OE1-CZ 3.35Å; E702-R839 IonicContact OE1-NH1 3.38Å; E702-R839 PolarHBondContact OE1-NH1 2.88Å; E702-R839 IonicContact OE2-NH1 3.85Å; E702-R839 PolarHBondContact OE2-NH1 2.83Å
703	I	95.7	Very high	95.1	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.026	9%	0.089	C	C	.	.	H	α-helix	trans	-58.6	-41.7	174.5	-68.6	162.5	0	0	0	110.9	I158 Y160 L699 R700 Q710 F713 A714 L717	I158-I703 HydrophobicContact CG2-CD1 3.95Å; Y160-I703 HydrophobicContact CG-CG2 4.47Å; L699-I703 WeakPolarHBondContact O-CD1 3.16Å; L699-I703 VanDerWaalsContact O-CG1 3.23Å; L699-I703 WeakPolarHBondContact O-CG1 3.47Å; L699-I703 PolarHBondContact O-N 3.12Å; R700-I703 PolarHBondContact O-N 2.84Å; I703-Q710 HydrophobicContact CG2-CB 4.33Å; I703-Q710 WeakPolarHBondContact O-CB 3.41Å; I703-F713 HydrophobicContact CD1-CB 4.06Å; I703-F713 HydrophobicContact CG1-CB 3.59Å; I703-A714 HydrophobicContact CD1-CB 4.05Å; I703-A714 HydrophobicContact CG1-CB 4.38Å; I703-L717 HydrophobicContact CD1-CB 4.27Å; I703-L717 HydrophobicContact CD1-CD2 3.68Å
704	A	91.7	Very high	95	Very high	44 Å²	44	18.5 Å²	18.5	36%	0.364	9%	0.087	S	C	.	.	H	α-helix	trans	-73.1	-26.2	-179.2	0	0	0	0	0	113.8	R700 S701 E702 D874	R700-A704 PolarHBondContact O-N 3.04Å; R700-A704 VanDerWaalsContact O-N 3.14Å; S701-A704 PolarHBondContact O-N 3.04Å; E702-A704 VanDerWaalsContact C-N 3.27Å; E702-A704 PolarHBondContact O-N 3.24Å; A704-D874 HydrophobicContact CB-CB 4.32Å
705	Q	85.9	Confident	95	Very high	37 Å²	37	17.1 Å²	17.1	17%	0.173	8%	0.082	C	C	.	.	H	α-helix	trans	-112.1	-26.3	-169.2	-68.7	176.6	-2.3	0	0	114.5	S701 E702 S871 G873 D874	S701-Q705 WeakPolarHBondContact O-CB 2.81Å; S701-Q705 WeakPolarHBondContact O-CG 3.16Å; S701-Q705 PolarHBondContact O-N 3.18Å; E702-Q705 PolarHBondContact O-N 3.05Å; Q705-S871 PolarHBondContact NE2-OG 3.38Å; Q705-G873 PolarHBondContact NE2-O 2.85Å; Q705-D874 HydrophobicContact CG-CB 4.28Å
706	S	89	Confident	95	Very high	8 Å²	8	17.3 Å²	17.3	6%	0.056	8%	0.082	C	C	.	.			trans	-115.1	96	-173.6	-175.5	0	0	0	0	112	E702 H708 Y709 Q710	E702-S706 WeakPolarHBondContact O-CA 3.42Å; E702-S706 WeakPolarHBondContact O-CB 3.39Å; E702-S706 PolarHBondContact O-N 2.65Å; S706-H708 PolarHBondContact O-N 3.3Å; S706-Y709 PolarHBondContact O-N 2.72Å; S706-Q710 WeakPolarHBondContact O-CB 3.43Å; S706-Q710 PolarHBondContact O-N 3.42Å
707	R	90.8	Very high	95	Very high	139 Å²	139	17.3 Å²	17.3	53%	0.525	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.5	173.7	-66.5	-171.9	178.7	-174.3	-0	113.3	W485 Y709	W485-R707 HydrophobicContact CH2-CB 3.88Å; W485-R707 HydrophobicContact CZ3-CB 3.88Å; R707-Y709 VanDerWaalsContact C-N 3.28Å; R707-Y709 PolarHBondContact O-N 3.09Å
708	H	92.4	Very high	95	Very high	33 Å²	33	17.5 Å²	17.5	15%	0.153	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-28.2	178.6	-56.3	99.8	0	0	0	113.1	Y463 W485 D500 T503 A505 S706	Y463-H708 PolarHBondContact OH-NE2 3.46Å; W485-H708 AromaticContact CD2-CD2 3.36Å; W485-H708 AromaticContact CD2-NE2 3.5Å; W485-H708 AromaticContact CE2-CD2 3.53Å; W485-H708 AromaticContact CE3-CD2 3.55Å; W485-H708 AromaticContact CE3-NE2 3.38Å; W485-H708 AromaticContact CG-CD2 3.84Å; W485-H708 AromaticContact CG-NE2 3.84Å; W485-H708 AromaticContact CZ2-CD2 3.88Å; W485-H708 AromaticContact CZ3-CD2 3.89Å; W485-H708 AromaticContact CZ3-NE2 3.97Å; D500-H708 VanDerWaalsContact CG-ND1 3.3Å; D500-H708 IonicContact OD1-CG 3.82Å; D500-H708 IonicContact OD1-ND1 2.77Å; D500-H708 PolarHBondContact OD1-ND1 3.16Å; D500-H708 IonicContact OD2-CE1 2.7Å; D500-H708 IonicContact OD2-ND1 3.12Å; T503-H708 HydrophobicContact CG2-CB 4.04Å; T503-H708 PolarHBondContact OG1-O 3.2Å; A505-H708 WeakPolarHBondContact CB-O 3.28Å; S706-H708 PolarHBondContact O-N 3.3Å
709	Y	93.6	Very high	95	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.016	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-3.4	-171.2	-67.6	-76.3	0	0	0	114.6	A499 T503 K668 S706 R707 Q711 R712 F713	A499-Y709 PolarHBondContact O-OH 3.02Å; T503-Y709 PolarHBondContact N-OH 3.34Å; K668-Y709 HydrophobicContact CB-CD1 4.23Å; K668-Y709 HydrophobicContact CB-CD2 4.3Å; K668-Y709 HydrophobicContact CB-CE1 3.85Å; K668-Y709 HydrophobicContact CB-CE2 3.93Å; K668-Y709 HydrophobicContact CB-CG 4.45Å; K668-Y709 HydrophobicContact CD-CD2 3.88Å; K668-Y709 HydrophobicContact CD-CE2 4Å; K668-Y709 HydrophobicContact CD-CG 4.42Å; K668-Y709 HydrophobicContact CG-CD1 4.04Å; K668-Y709 HydrophobicContact CG-CD2 3.77Å; K668-Y709 HydrophobicContact CG-CE1 4.16Å; K668-Y709 HydrophobicContact CG-CE2 3.89Å; K668-Y709 HydrophobicContact CG-CG 3.86Å; K668-Y709 WeakPolarHBondContact O-CE1 3.46Å; K668-Y709 PolarHBondContact O-OH 2.98Å; K668-Y709 VanDerWaalsContact O-OH 3.11Å; S706-Y709 PolarHBondContact O-N 2.72Å; R707-Y709 VanDerWaalsContact C-N 3.28Å; R707-Y709 PolarHBondContact O-N 3.09Å; Y709-Q711 VanDerWaalsContact C-N 3.27Å; Y709-Q711 PolarHBondContact O-N 3.46Å; Y709-R712 PolarHBondContact O-N 2.94Å; Y709-R712 VanDerWaalsContact O-N 3.1Å; Y709-F713 HydrophobicContact CG-CE2 4.43Å; Y709-F713 WeakPolarHBondContact O-CD2 3.47Å; Y709-F713 PolarHBondContact O-N 3.41Å; Y709-F713 VanDerWaalsContact O-N 3.1Å
710	Q	94.3	Very high	95.1	Very high	29 Å²	29	17.1 Å²	17.1	14%	0.136	8%	0.083	C	C	.	.	H	α-helix	trans	-51.9	-41.4	-177.5	65.8	-176.5	38.5	0	0	113.3	Y160 I703 S706 F713 A714	Y160-Q710 HydrophobicContact CD2-CG 4.44Å; Y160-Q710 HydrophobicContact CE2-CG 4.29Å; I703-Q710 HydrophobicContact CG2-CB 4.33Å; I703-Q710 WeakPolarHBondContact O-CB 3.41Å; S706-Q710 WeakPolarHBondContact O-CB 3.43Å; S706-Q710 PolarHBondContact O-N 3.42Å; Q710-F713 PolarHBondContact O-N 3.21Å; Q710-A714 WeakPolarHBondContact O-CB 3.01Å; Q710-A714 PolarHBondContact O-N 3.46Å
711	Q	95.2	Very high	95.1	Very high	12 Å²	12	16.4 Å²	16.4	6%	0.056	8%	0.081	C	C	.	.	H	α-helix	trans	-61.8	-46.9	179.6	-75.2	170.6	-40.6	0	0	111.7	Y160 N167 L173 Y709 A714 V715	Y160-Q711 HydrophobicContact CE1-CG 3.99Å; Y160-Q711 VanDerWaalsContact OH-CG 3.3Å; Y160-Q711 WeakPolarHBondContact OH-CG 3.35Å; N167-Q711 PolarHBondContact O-NE2 3.08Å; L173-Q711 HydrophobicContact CD1-CB 3.81Å; L173-Q711 HydrophobicContact CD1-CG 3.99Å; L173-Q711 HydrophobicContact CD2-CB 3.97Å; Y709-Q711 VanDerWaalsContact C-N 3.27Å; Y709-Q711 PolarHBondContact O-N 3.46Å; Q711-A714 PolarHBondContact O-N 2.91Å; Q711-V715 WeakPolarHBondContact O-CG2 3.39Å; Q711-V715 PolarHBondContact O-N 3.25Å
712	R	96.8	Very high	95.3	Very high	6 Å²	6	17.6 Å²	17.6	2%	0.023	9%	0.085	C	C	.	.	H	α-helix	trans	-61.6	-51.6	178.7	-176	174.8	-68.5	177.4	-5.3	111.2	V667 E670 P671 H673 Y709 A714 V715 I716	V667-R712 HydrophobicContact CG1-CG 4.23Å; V667-R712 PolarHBondContact O-NH1 3.32Å; E670-R712 PolarHBondContact O-NH1 3.25Å; E670-R712 PolarHBondContact O-NH2 2.94Å; P671-R712 PolarHBondContact O-NH2 3.34Å; H673-R712 VanDerWaalsContact ND1-CB 3.26Å; H673-R712 WeakPolarHBondContact ND1-CB 3.22Å; H673-R712 WeakPolarHBondContact ND1-CG 3.47Å; H673-R712 PolarHBondContact ND1-NE 2.8Å; H673-R712 VanDerWaalsContact ND1-NE 3.18Å; Y709-R712 PolarHBondContact O-N 2.94Å; Y709-R712 VanDerWaalsContact O-N 3.1Å; R712-A714 VanDerWaalsContact C-N 3.3Å; R712-A714 PolarHBondContact O-N 3.49Å; R712-V715 PolarHBondContact O-N 2.85Å; R712-I716 HydrophobicContact CG-CD1 4.42Å; R712-I716 PolarHBondContact O-N 3.45Å
713	F	97.9	Very high	95.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.4	-35.6	-178.1	-70	-47.2	0	0	0	112.3	V664 V667 K668 L699 E702 I703 Y709 Q710 V715 I716 L717	V664-F713 HydrophobicContact CG1-CE1 4.15Å; V667-F713 HydrophobicContact CB-CE1 3.97Å; V667-F713 HydrophobicContact CG1-CD1 4.48Å; V667-F713 HydrophobicContact CG1-CE1 3.99Å; K668-F713 HydrophobicContact CG-CE2 4.27Å; K668-F713 HydrophobicContact CG-CZ 3.88Å; L699-F713 HydrophobicContact CD2-CB 3.97Å; L699-F713 HydrophobicContact CD2-CD1 3.26Å; L699-F713 HydrophobicContact CD2-CE1 3.94Å; L699-F713 HydrophobicContact CD2-CG 3.9Å; E702-F713 HydrophobicContact CB-CD2 3.61Å; E702-F713 HydrophobicContact CB-CE2 3.6Å; E702-F713 HydrophobicContact CB-CG 4.48Å; E702-F713 HydrophobicContact CB-CZ 4.45Å; E702-F713 HydrophobicContact CG-CD2 4.48Å; E702-F713 HydrophobicContact CG-CE2 4.02Å; I703-F713 HydrophobicContact CD1-CB 4.06Å; I703-F713 HydrophobicContact CG1-CB 3.59Å; Y709-F713 HydrophobicContact CG-CE2 4.43Å; Y709-F713 WeakPolarHBondContact O-CD2 3.47Å; Y709-F713 PolarHBondContact O-N 3.41Å; Y709-F713 VanDerWaalsContact O-N 3.1Å; Q710-F713 PolarHBondContact O-N 3.21Å; F713-V715 PolarHBondContact O-N 2.87Å; F713-I716 PolarHBondContact O-N 2.93Å; F713-L717 WeakPolarHBondContact O-CB 3.45Å; F713-L717 PolarHBondContact O-N 3.16Å
714	A	98.1	Very high	95.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-39.5	177.3	0	0	0	0	0	112.4	I158 Y160 V162 I703 Q710 Q711 R712 L717 E718	I158-A714 HydrophobicContact CG2-CB 3.73Å; Y160-A714 HydrophobicContact CD1-CB 3.54Å; Y160-A714 HydrophobicContact CE1-CB 4.4Å; Y160-A714 HydrophobicContact CG-CB 4.21Å; V162-A714 HydrophobicContact CG1-CB 3.52Å; V162-A714 WeakPolarHBondContact CG1-O 3.29Å; I703-A714 HydrophobicContact CD1-CB 4.05Å; I703-A714 HydrophobicContact CG1-CB 4.38Å; Q710-A714 WeakPolarHBondContact O-CB 3.01Å; Q710-A714 PolarHBondContact O-N 3.46Å; Q711-A714 PolarHBondContact O-N 2.91Å; R712-A714 VanDerWaalsContact C-N 3.3Å; R712-A714 PolarHBondContact O-N 3.49Å; A714-L717 PolarHBondContact O-N 3.26Å; A714-E718 WeakPolarHBondContact O-CB 3.31Å; A714-E718 PolarHBondContact O-N 2.71Å
715	V	98.1	Very high	96	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.018	7%	0.069	C	C	.	.	H	α-helix	trans	-64.2	-42	175.2	169.4	0	0	0	0	111.9	L173 T176 R177 L180 Q711 R712 F713 L717 E718 A719	L173-V715 HydrophobicContact CD2-CG2 4.02Å; T176-V715 HydrophobicContact CG2-CG1 3.71Å; R177-V715 HydrophobicContact CG-CB 4.29Å; R177-V715 HydrophobicContact CG-CG1 3.64Å; R177-V715 HydrophobicContact CG-CG2 3.8Å; L180-V715 HydrophobicContact CD1-CG1 4.02Å; Q711-V715 WeakPolarHBondContact O-CG2 3.39Å; Q711-V715 PolarHBondContact O-N 3.25Å; R712-V715 PolarHBondContact O-N 2.85Å; F713-V715 PolarHBondContact O-N 2.87Å; V715-L717 VanDerWaalsContact C-N 3.34Å; V715-E718 PolarHBondContact O-N 3.15Å; V715-A719 PolarHBondContact O-N 3.42Å; V715-A719 VanDerWaalsContact O-N 3.11Å
716	I	98.7	Very high	96.6	Very high	3 Å²	3	18 Å²	18	2%	0.015	8%	0.082	C	C	.	.	H	α-helix	trans	-63.8	-43.1	175.6	-60.8	169.3	0	0	0	110.2	V667 A678 L699 R712 F713 A719 Y720	V667-I716 HydrophobicContact CG1-CD1 3.93Å; A678-I716 HydrophobicContact CB-CD1 3.89Å; A678-I716 HydrophobicContact CB-CG1 4.31Å; L699-I716 HydrophobicContact CD1-CB 4.33Å; L699-I716 HydrophobicContact CD1-CG2 3.84Å; R712-I716 HydrophobicContact CG-CD1 4.42Å; R712-I716 PolarHBondContact O-N 3.45Å; F713-I716 PolarHBondContact O-N 2.93Å; I716-A719 PolarHBondContact O-N 3.13Å; I716-Y720 PolarHBondContact O-N 3.21Å
717	L	98.8	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67	-39.9	-179.6	-169.9	57.5	0	0	0	112.1	I158 F696 L699 R700 I703 F713 A714 V715 Y720 L721	I158-L717 HydrophobicContact CB-CD2 4.27Å; I158-L717 HydrophobicContact CG1-CB 4.39Å; I158-L717 HydrophobicContact CG1-CD2 3.99Å; I158-L717 HydrophobicContact CG1-CG 4.02Å; I158-L717 HydrophobicContact CG2-CD2 4.25Å; F696-L717 HydrophobicContact CB-CD1 4.33Å; F696-L717 HydrophobicContact CD2-CD1 3.68Å; F696-L717 HydrophobicContact CE2-CD1 4.4Å; F696-L717 HydrophobicContact CG-CD1 4.33Å; L699-L717 HydrophobicContact CB-CB 4.42Å; L699-L717 HydrophobicContact CB-CD1 4.27Å; L699-L717 HydrophobicContact CB-CD2 4.37Å; L699-L717 HydrophobicContact CD1-CB 4.15Å; L699-L717 HydrophobicContact CD1-CD1 4.07Å; R700-L717 HydrophobicContact CB-CD2 4.28Å; I703-L717 HydrophobicContact CD1-CB 4.27Å; I703-L717 HydrophobicContact CD1-CD2 3.68Å; F713-L717 WeakPolarHBondContact O-CB 3.45Å; F713-L717 PolarHBondContact O-N 3.16Å; A714-L717 PolarHBondContact O-N 3.26Å; V715-L717 VanDerWaalsContact C-N 3.34Å; L717-Y720 HydrophobicContact CD1-CD1 4.13Å; L717-Y720 PolarHBondContact O-N 3.09Å; L717-L721 HydrophobicContact CD1-CG 4.4Å; L717-L721 HydrophobicContact CG-CD1 4.14Å; L717-L721 HydrophobicContact CG-CG 4.42Å; L717-L721 WeakPolarHBondContact O-CB 3.35Å; L717-L721 VanDerWaalsContact O-CG 3.29Å; L717-L721 WeakPolarHBondContact O-CG 3.49Å; L717-L721 PolarHBondContact O-N 2.87Å
718	E	98.6	Very high	97.3	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.019	7%	0.066	C	C	.	.	H	α-helix	trans	-58.4	-48.3	172.4	-175.2	-169.3	-160.6	0	0	110.9	Q151 L154 I158 V162 R177 A714 V715 Y720 L721 R722	Q151-E718 PolarHBondContact OE1-OE1 3.01Å; L154-E718 HydrophobicContact CD1-CG 4.28Å; I158-E718 HydrophobicContact CD1-CB 3.85Å; I158-E718 HydrophobicContact CD1-CG 4.47Å; V162-E718 HydrophobicContact CG1-CB 4.32Å; V162-E718 HydrophobicContact CG2-CB 4.39Å; V162-E718 VanDerWaalsContact CG2-CD 3.47Å; V162-E718 HydrophobicContact CG2-CG 4.2Å; V162-E718 WeakPolarHBondContact CG2-OE2 3.13Å; R177-E718 IonicContact CZ-OE1 3.22Å; R177-E718 IonicContact CZ-OE2 2.77Å; R177-E718 IonicContact NE-OE1 3.08Å; R177-E718 IonicContact NE-OE2 3.68Å; R177-E718 PolarHBondContact NE-OE2 3.32Å; R177-E718 IonicContact NH2-OE1 3.47Å; R177-E718 PolarHBondContact NH2-OE1 2.91Å; R177-E718 IonicContact NH2-OE2 3.92Å; R177-E718 PolarHBondContact NH2-OE2 3.49Å; A714-E718 WeakPolarHBondContact O-CB 3.31Å; A714-E718 PolarHBondContact O-N 2.71Å; V715-E718 PolarHBondContact O-N 3.15Å; E718-Y720 VanDerWaalsContact C-N 3.29Å; E718-Y720 PolarHBondContact O-N 3.25Å; E718-L721 PolarHBondContact O-N 3.17Å; E718-R722 HydrophobicContact CG-CG 4.5Å; E718-R722 WeakPolarHBondContact O-CG 3.23Å; E718-R722 PolarHBondContact O-N 2.67Å; E718-R722 IonicContact OE1-CZ 2.76Å; E718-R722 IonicContact OE1-NE 3.82Å; E718-R722 PolarHBondContact OE1-NE 3.18Å; E718-R722 VanDerWaalsContact OE1-NE 3.13Å; E718-R722 IonicContact OE1-NH2 3.08Å; E718-R722 PolarHBondContact OE1-NH2 2.83Å
719	A	98.4	Very high	97.6	Very high	8 Å²	8	11.1 Å²	11.1	7%	0.066	6%	0.059	C	C	.	.	H	α-helix	trans	-59.7	-41.3	179	0	0	0	0	0	111.7	L180 R184 L682 V715 I716	L180-A719 HydrophobicContact CB-CB 3.92Å; L180-A719 HydrophobicContact CD1-CB 3.97Å; R184-A719 WeakPolarHBondContact CD-O 3.48Å; R184-A719 WeakPolarHBondContact CG-O 3.47Å; L682-A719 HydrophobicContact CD1-CB 3.96Å; L682-A719 HydrophobicContact CD2-CB 3.91Å; V715-A719 PolarHBondContact O-N 3.42Å; V715-A719 VanDerWaalsContact O-N 3.11Å; I716-A719 PolarHBondContact O-N 3.13Å
720	Y	98.8	Very high	97.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.6	-50.5	175.6	167.1	-104	0	0	0	112.3	L686 G692 F696 I716 L717 E718 R722 G723 C724 M728 F732	L686-Y720 HydrophobicContact CD2-CD2 3.99Å; L686-Y720 HydrophobicContact CD2-CE2 4.47Å; L686-Y720 HydrophobicContact CG-CD2 4.27Å; G692-Y720 WeakPolarHBondContact CA-OH 3.2Å; G692-Y720 VanDerWaalsContact O-CZ 3.31Å; G692-Y720 PolarHBondContact O-OH 3.16Å; G692-Y720 VanDerWaalsContact O-OH 3.04Å; F696-Y720 HydrophobicContact CB-CE1 4.05Å; I716-Y720 PolarHBondContact O-N 3.21Å; L717-Y720 HydrophobicContact CD1-CD1 4.13Å; L717-Y720 PolarHBondContact O-N 3.09Å; E718-Y720 VanDerWaalsContact C-N 3.29Å; E718-Y720 PolarHBondContact O-N 3.25Å; Y720-R722 PolarHBondContact O-N 2.95Å; Y720-G723 CarbonylContact O-C 3.55Å; Y720-G723 PolarHBondContact O-N 2.83Å; Y720-C724 HydrophobicContact CE1-CB 4.19Å; Y720-C724 HydrophobicContact CE2-CB 4.02Å; Y720-C724 WeakPolarHBondContact O-CB 3.5Å; Y720-C724 PolarHBondContact O-N 3.06Å; Y720-M728 HydrophobicContact CE2-CE 4.37Å; Y720-M728 WeakPolarHBondContact OH-CE 3.42Å; Y720-F732 AromaticContact CE1-CE2 3.73Å; Y720-F732 HydrophobicContact CE1-CE2 3.73Å; Y720-F732 HydrophobicContact CE1-CZ 4.04Å
721	L	98.7	Very high	98	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-63.3	-29.2	-177.7	-69.6	174.3	0	0	0	112.8	L154 L157 I158 F696 L717 E718 G723 C724 L729 F732	L154-L721 HydrophobicContact CD2-CB 3.65Å; L154-L721 HydrophobicContact CD2-CD1 4.19Å; L157-L721 HydrophobicContact CB-CD1 3.94Å; L157-L721 HydrophobicContact CD1-CD1 4.33Å; L157-L721 HydrophobicContact CD1-CD2 4.44Å; I158-L721 HydrophobicContact CD1-CD1 4.38Å; I158-L721 HydrophobicContact CG1-CD1 3.77Å; F696-L721 HydrophobicContact CD2-CD2 3.83Å; F696-L721 HydrophobicContact CE2-CD1 4.36Å; F696-L721 HydrophobicContact CE2-CD2 3.96Å; L717-L721 HydrophobicContact CD1-CG 4.4Å; L717-L721 HydrophobicContact CG-CD1 4.14Å; L717-L721 HydrophobicContact CG-CG 4.42Å; L717-L721 WeakPolarHBondContact O-CB 3.35Å; L717-L721 VanDerWaalsContact O-CG 3.29Å; L717-L721 WeakPolarHBondContact O-CG 3.49Å; L717-L721 PolarHBondContact O-N 2.87Å; E718-L721 PolarHBondContact O-N 3.17Å; L721-G723 PolarHBondContact O-N 2.98Å; L721-C724 PolarHBondContact O-SG 3.49Å; L721-L729 HydrophobicContact CB-CD1 4.16Å; L721-L729 HydrophobicContact CD2-CD1 3.94Å; L721-F732 HydrophobicContact CD2-CD2 3.9Å; L721-F732 HydrophobicContact CD2-CE2 4.28Å
722	R	97.9	Very high	98.2	Very high	28 Å²	28	16.1 Å²	16.1	11%	0.106	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.8	172.9	-71.6	176.1	176.9	-83.3	-1.3	114	F150 L154 V318 E718 Y720	F150-R722 HydrophobicContact CE1-CG 4.21Å; L154-R722 HydrophobicContact CD1-CG 3.69Å; V318-R722 VanDerWaalsContact CG1-O 3.25Å; V318-R722 WeakPolarHBondContact CG1-O 3.45Å; E718-R722 HydrophobicContact CG-CG 4.5Å; E718-R722 WeakPolarHBondContact O-CG 3.23Å; E718-R722 PolarHBondContact O-N 2.67Å; E718-R722 IonicContact OE1-CZ 2.76Å; E718-R722 IonicContact OE1-NE 3.82Å; E718-R722 PolarHBondContact OE1-NE 3.18Å; E718-R722 VanDerWaalsContact OE1-NE 3.13Å; E718-R722 IonicContact OE1-NH2 3.08Å; E718-R722 PolarHBondContact OE1-NH2 2.83Å; Y720-R722 PolarHBondContact O-N 2.95Å
723	G	98	Very high	98.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-8.2	-178.8	0	0	0	0	0	115	R191 L686 Y720 L721 G725	R191-G723 PolarHBondContact NH1-O 3.21Å; L686-G723 WeakPolarHBondContact CD2-O 3.31Å; Y720-G723 CarbonylContact O-C 3.55Å; Y720-G723 PolarHBondContact O-N 2.83Å; L721-G723 PolarHBondContact O-N 2.98Å; G723-G725 PolarHBondContact O-N 2.84Å
724	C	98.1	Very high	98.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-70.3	-16.6	-173.8	69.4	0	0	0	0	114.1	Y196 Y720 L721 M728	Y196-C724 WeakPolarHBondContact OH-CA 3.39Å; Y196-C724 PolarHBondContact OH-O 3.06Å; Y720-C724 HydrophobicContact CE1-CB 4.19Å; Y720-C724 HydrophobicContact CE2-CB 4.02Å; Y720-C724 WeakPolarHBondContact O-CB 3.5Å; Y720-C724 PolarHBondContact O-N 3.06Å; L721-C724 PolarHBondContact O-SG 3.49Å; C724-M728 HydrophobicContact CB-CB 4.32Å; C724-M728 HydrophobicContact CB-CE 3.62Å
725	G	97.8	Very high	98.2	Very high	6 Å²	6	19.2 Å²	19.2	6%	0.062	10%	0.1	C	C	.	.			trans	86.9	155.9	-175.7	0	0	0	0	0	112.8	D316 E317 G723 A727 M728 L729	D316-G725 WeakPolarHBondContact O-CA 3.39Å; E317-G725 WeakPolarHBondContact O-CA 3.46Å; G723-G725 PolarHBondContact O-N 2.84Å; G725-A727 PolarHBondContact O-N 3.26Å; G725-M728 PolarHBondContact O-N 2.85Å; G725-L729 PolarHBondContact O-N 2.99Å; G725-L729 VanDerWaalsContact O-N 3.16Å
726	M	97.7	Very high	98.3	Very high	91 Å²	91	19.2 Å²	19.2	45%	0.448	10%	0.1	S	C	.	.	H	α-helix	trans	-63.3	-38.6	-171.9	-73	-56.6	-63	0	0	114	E317 M728 L729 Q730	E317-M726 WeakPolarHBondContact O-CG 3.33Å; E317-M726 PolarHBondContact O-N 3.26Å; M726-M728 PolarHBondContact O-N 3.01Å; M726-L729 PolarHBondContact O-N 2.86Å; M726-L729 HydrophobicContact SD-CD2 4.22Å; M726-Q730 PolarHBondContact O-N 3.31Å
727	A	97.6	Very high	98.2	Very high	23 Å²	23	22.9 Å²	22.9	19%	0.19	12%	0.117	C	C	.	.	H	α-helix	trans	-58.4	-48.7	178.5	0	0	0	0	0	112.2	L315 G725 L729 Q730 D731	L315-A727 HydrophobicContact CB-CB 4.26Å; L315-A727 WeakPolarHBondContact O-CB 3.44Å; L315-A727 PolarHBondContact O-N 2.8Å; G725-A727 PolarHBondContact O-N 3.26Å; A727-L729 VanDerWaalsContact C-N 3.35Å; A727-L729 PolarHBondContact O-N 2.99Å; A727-Q730 PolarHBondContact O-N 3.31Å; A727-D731 PolarHBondContact O-N 3.35Å
728	M	98.3	Very high	98.1	Very high	10 Å²	10	23 Å²	23	5%	0.049	12%	0.118	C	C	.	.	H	α-helix	trans	-68	-34.9	177.1	-72.2	-144.1	-57.5	0	0	112.6	Y196 K689 Y720 C724 G725 M726 Q730 D731 F732	Y196-M728 WeakPolarHBondContact OH-CE 3.1Å; K689-M728 HydrophobicContact CB-CE 4.44Å; K689-M728 HydrophobicContact CB-SD 3.62Å; K689-M728 HydrophobicContact CD-CG 3.98Å; K689-M728 HydrophobicContact CD-SD 3.81Å; K689-M728 HydrophobicContact CG-CE 4.07Å; K689-M728 HydrophobicContact CG-CG 4.29Å; K689-M728 HydrophobicContact CG-SD 3.52Å; K689-M728 VanDerWaalsContact CG-SD 3.52Å; Y720-M728 HydrophobicContact CE2-CE 4.37Å; Y720-M728 WeakPolarHBondContact OH-CE 3.42Å; C724-M728 HydrophobicContact CB-CB 4.32Å; C724-M728 HydrophobicContact CB-CE 3.62Å; G725-M728 PolarHBondContact O-N 2.85Å; M726-M728 PolarHBondContact O-N 3.01Å; M728-Q730 VanDerWaalsContact C-N 3.27Å; M728-Q730 PolarHBondContact O-N 3.18Å; M728-D731 PolarHBondContact O-N 3.1Å; M728-F732 HydrophobicContact CB-CE2 4.13Å; M728-F732 WeakPolarHBondContact O-CD2 3.28Å; M728-F732 WeakPolarHBondContact O-CG 3.42Å; M728-F732 PolarHBondContact O-N 2.83Å
729	L	98.3	Very high	98.1	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-62	-38.9	176.2	-160.6	72.1	0	0	0	111.6	F150 L154 L157 L721 G725 M726 A727 T733	F150-L729 HydrophobicContact CE2-CD2 3.71Å; F150-L729 HydrophobicContact CZ-CD2 4.48Å; L154-L729 HydrophobicContact CD2-CD1 4.09Å; L157-L729 HydrophobicContact CD1-CD1 3.53Å; L157-L729 HydrophobicContact CD1-CG 4.08Å; L721-L729 HydrophobicContact CB-CD1 4.16Å; L721-L729 HydrophobicContact CD2-CD1 3.94Å; G725-L729 PolarHBondContact O-N 2.99Å; G725-L729 VanDerWaalsContact O-N 3.16Å; M726-L729 PolarHBondContact O-N 2.86Å; M726-L729 HydrophobicContact SD-CD2 4.22Å; A727-L729 VanDerWaalsContact C-N 3.35Å; A727-L729 PolarHBondContact O-N 2.99Å; L729-T733 WeakPolarHBondContact O-CB 3.48Å; L729-T733 PolarHBondContact O-N 3.3Å; L729-T733 PolarHBondContact O-OG1 3.26Å
730	Q	97.8	Very high	97.9	Very high	121 Å²	121	26.6 Å²	26.6	57%	0.565	13%	0.133	S	C	*	.	H	α-helix	trans	-67.6	-42.7	174	-172.6	172.7	14	0	0	111.8	M726 A727 M728 F732 T733 Q734	M726-Q730 PolarHBondContact O-N 3.31Å; A727-Q730 PolarHBondContact O-N 3.31Å; M728-Q730 VanDerWaalsContact C-N 3.27Å; M728-Q730 PolarHBondContact O-N 3.18Å; Q730-F732 PolarHBondContact O-N 3.39Å; Q730-T733 WeakPolarHBondContact O-CB 3.43Å; Q730-T733 PolarHBondContact O-N 3.46Å; Q730-Q734 WeakPolarHBondContact O-CG 3.33Å; Q730-Q734 PolarHBondContact O-N 2.92Å
731	D	98.3	Very high	97.8	Very high	27 Å²	27	28.6 Å²	28.6	14%	0.144	14%	0.143	C	C	.	.	H	α-helix	trans	-59.7	-45.4	176.3	-74.3	-26.3	0	0	0	111.6	A727 M728 T733 Q734 Q735 R784	A727-D731 PolarHBondContact O-N 3.35Å; M728-D731 PolarHBondContact O-N 3.1Å; D731-T733 VanDerWaalsContact C-N 3.34Å; D731-T733 PolarHBondContact O-N 3Å; D731-Q734 PolarHBondContact O-N 2.72Å; D731-Q735 VanDerWaalsContact O-CG 3.24Å; D731-Q735 WeakPolarHBondContact O-CG 3.33Å; D731-Q735 PolarHBondContact O-N 3.15Å; D731-Q735 PolarHBondContact O-NE2 3.03Å; D731-R784 IonicContact OD1-NE 3.6Å; D731-R784 WeakPolarHBondContact OD2-CD 3.39Å; D731-R784 IonicContact OD2-CZ 3.74Å; D731-R784 IonicContact OD2-NE 3.28Å; D731-R784 PolarHBondContact OD2-NE 3.32Å; D731-R784 IonicContact OD2-NH2 3.74Å
732	F	98.8	Very high	97.7	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-38.7	175.7	-67.2	-51.3	0	0	0	112.2	L157 H693 F696 Y720 L721 M728 Q730 Q734 Q735 V736	L157-F732 HydrophobicContact CD2-CB 4.1Å; H693-F732 AromaticContact ND1-CE1 3.77Å; F696-F732 HydrophobicContact CB-CD1 4.28Å; F696-F732 HydrophobicContact CB-CE1 3.59Å; F696-F732 HydrophobicContact CB-CE2 4.29Å; F696-F732 HydrophobicContact CB-CZ 3.6Å; F696-F732 AromaticContact CD1-CD1 3.4Å; F696-F732 HydrophobicContact CD1-CD1 3.4Å; F696-F732 VanDerWaalsContact CD1-CD1 3.4Å; F696-F732 AromaticContact CD1-CE1 3.48Å; F696-F732 HydrophobicContact CD1-CE1 3.48Å; F696-F732 VanDerWaalsContact CD1-CE1 3.48Å; F696-F732 HydrophobicContact CD1-CG 4.18Å; F696-F732 HydrophobicContact CD1-CZ 4.3Å; F696-F732 AromaticContact CD2-CD1 3.97Å; F696-F732 HydrophobicContact CD2-CD1 3.97Å; F696-F732 HydrophobicContact CD2-CD2 4.06Å; F696-F732 HydrophobicContact CD2-CE1 4.09Å; F696-F732 HydrophobicContact CD2-CE2 4.18Å; F696-F732 AromaticContact CD2-CG 3.97Å; F696-F732 HydrophobicContact CD2-CG 3.97Å; F696-F732 HydrophobicContact CD2-CZ 4.2Å; F696-F732 HydrophobicContact CE1-CB 4.39Å; F696-F732 AromaticContact CE1-CD1 3.62Å; F696-F732 HydrophobicContact CE1-CD1 3.62Å; F696-F732 HydrophobicContact CE1-CE1 4.19Å; F696-F732 HydrophobicContact CE1-CG 4.16Å; F696-F732 HydrophobicContact CE2-CB 4.14Å; F696-F732 HydrophobicContact CE2-CD1 4.17Å; F696-F732 HydrophobicContact CE2-CD2 4.33Å; F696-F732 AromaticContact CE2-CG 3.97Å; F696-F732 HydrophobicContact CE2-CG 3.97Å; F696-F732 AromaticContact CG-CD1 3.61Å; F696-F732 HydrophobicContact CG-CD1 3.61Å; F696-F732 HydrophobicContact CG-CD2 4.37Å; F696-F732 AromaticContact CG-CE1 3.44Å; F696-F732 HydrophobicContact CG-CE1 3.44Å; F696-F732 VanDerWaalsContact CG-CE1 3.44Å; F696-F732 HydrophobicContact CG-CE2 4.24Å; F696-F732 HydrophobicContact CG-CG 4.1Å; F696-F732 AromaticContact CG-CZ 3.78Å; F696-F732 HydrophobicContact CG-CZ 3.78Å; F696-F732 HydrophobicContact CZ-CB 4.01Å; F696-F732 HydrophobicContact CZ-CD1 4Å; F696-F732 HydrophobicContact CZ-CG 4.06Å; Y720-F732 AromaticContact CE1-CE2 3.73Å; Y720-F732 HydrophobicContact CE1-CE2 3.73Å; Y720-F732 HydrophobicContact CE1-CZ 4.04Å; L721-F732 HydrophobicContact CD2-CD2 3.9Å; L721-F732 HydrophobicContact CD2-CE2 4.28Å; M728-F732 HydrophobicContact CB-CE2 4.13Å; M728-F732 WeakPolarHBondContact O-CD2 3.28Å; M728-F732 WeakPolarHBondContact O-CG 3.42Å; M728-F732 PolarHBondContact O-N 2.83Å; Q730-F732 PolarHBondContact O-N 3.39Å; F732-Q734 VanDerWaalsContact C-N 3.35Å; F732-Q734 PolarHBondContact O-N 3.18Å; F732-Q735 PolarHBondContact O-N 3.16Å; F732-V736 WeakPolarHBondContact O-CB 3.43Å; F732-V736 WeakPolarHBondContact O-CG2 3.37Å; F732-V736 PolarHBondContact O-N 3.25Å
733	T	98.3	Very high	97.6	Very high	32 Å²	32	30 Å²	30	20%	0.196	15%	0.151	C	C	.	.	H	α-helix	trans	-59.4	-46.7	176.9	-58.8	0	0	0	0	110.9	L729 Q730 D731 Q737	L729-T733 WeakPolarHBondContact O-CB 3.48Å; L729-T733 PolarHBondContact O-N 3.3Å; L729-T733 PolarHBondContact O-OG1 3.26Å; Q730-T733 WeakPolarHBondContact O-CB 3.43Å; Q730-T733 PolarHBondContact O-N 3.46Å; D731-T733 VanDerWaalsContact C-N 3.34Å; D731-T733 PolarHBondContact O-N 3Å; T733-Q737 WeakPolarHBondContact O-CB 3.1Å; T733-Q737 WeakPolarHBondContact O-CG 3.23Å; T733-Q737 PolarHBondContact O-N 3.44Å
734	Q	97.9	Very high	97.4	Very high	40 Å²	40	36.8 Å²	36.8	19%	0.187	18%	0.181	C	C	.	.	H	α-helix	trans	-63.8	-43.7	177.5	-69.5	174.8	-6.3	0	0	112.1	Q730 D731 F732 Q737 V738 P780 S782 F783	Q730-Q734 WeakPolarHBondContact O-CG 3.33Å; Q730-Q734 PolarHBondContact O-N 2.92Å; D731-Q734 PolarHBondContact O-N 2.72Å; F732-Q734 VanDerWaalsContact C-N 3.35Å; F732-Q734 PolarHBondContact O-N 3.18Å; Q734-Q737 PolarHBondContact O-N 2.94Å; Q734-V738 WeakPolarHBondContact O-CG2 3.47Å; Q734-V738 PolarHBondContact O-N 3.32Å; Q734-V738 VanDerWaalsContact O-N 3.09Å; Q734-P780 HydrophobicContact CB-CB 4.3Å; Q734-P780 HydrophobicContact CB-CG 4.37Å; Q734-P780 HydrophobicContact CG-CB 4.33Å; Q734-S782 PolarHBondContact OE1-O 3.26Å; Q734-F783 HydrophobicContact CB-CB 4.23Å
735	Q	98.5	Very high	97.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-48.7	179.2	-68.3	166.7	41.8	0	0	111.7	H693 W697 D731 F732 Q737 V738 I739 F783 R784	H693-Q735 PolarHBondContact CE1-OE1 3.3Å; W697-Q735 HydrophobicContact CH2-CB 4.35Å; W697-Q735 HydrophobicContact CZ2-CB 3.73Å; W697-Q735 HydrophobicContact CZ2-CG 4.49Å; D731-Q735 VanDerWaalsContact O-CG 3.24Å; D731-Q735 WeakPolarHBondContact O-CG 3.33Å; D731-Q735 PolarHBondContact O-N 3.15Å; D731-Q735 PolarHBondContact O-NE2 3.03Å; F732-Q735 PolarHBondContact O-N 3.16Å; Q735-Q737 VanDerWaalsContact C-N 3.33Å; Q735-Q737 PolarHBondContact O-N 2.99Å; Q735-V738 PolarHBondContact O-N 2.7Å; Q735-I739 WeakPolarHBondContact O-CD1 3.3Å; Q735-I739 WeakPolarHBondContact O-CG1 3.22Å; Q735-I739 PolarHBondContact O-N 3.43Å; Q735-F783 HydrophobicContact CG-CB 4.5Å; Q735-F783 HydrophobicContact CG-CD2 4.38Å; Q735-R784 WeakPolarHBondContact CG-O 3.33Å
736	V	98.3	Very high	97	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-42.9	179.1	171.1	0	0	0	0	110.8	L157 F696 W697 F732 V738 I739 E740	L157-V736 HydrophobicContact CD2-CB 4.42Å; L157-V736 HydrophobicContact CD2-CG2 4.12Å; F696-V736 HydrophobicContact CE1-CG2 4.39Å; F696-V736 HydrophobicContact CZ-CG2 4.02Å; W697-V736 HydrophobicContact CH2-CG2 4.03Å; F732-V736 WeakPolarHBondContact O-CB 3.43Å; F732-V736 WeakPolarHBondContact O-CG2 3.37Å; F732-V736 PolarHBondContact O-N 3.25Å; V736-V738 PolarHBondContact O-N 2.87Å; V736-I739 PolarHBondContact O-N 2.67Å; V736-E740 HydrophobicContact CG1-CG 4.33Å; V736-E740 WeakPolarHBondContact O-CG 3.07Å; V736-E740 PolarHBondContact O-N 2.93Å
737	Q	96.9	Very high	96.7	Very high	80 Å²	80	36.4 Å²	36.4	37%	0.374	18%	0.178	S	C	.	.	H	α-helix	trans	-57.8	-46.9	175.4	-76	172.4	-2.5	0	0	112.6	T733 Q734 Q735 I739 E740 M741 P780	T733-Q737 WeakPolarHBondContact O-CB 3.1Å; T733-Q737 WeakPolarHBondContact O-CG 3.23Å; T733-Q737 PolarHBondContact O-N 3.44Å; Q734-Q737 PolarHBondContact O-N 2.94Å; Q735-Q737 VanDerWaalsContact C-N 3.33Å; Q735-Q737 PolarHBondContact O-N 2.99Å; Q737-I739 VanDerWaalsContact C-N 3.32Å; Q737-I739 PolarHBondContact O-N 3.25Å; Q737-E740 PolarHBondContact O-N 2.95Å; Q737-M741 WeakPolarHBondContact O-CB 3.25Å; Q737-M741 VanDerWaalsContact O-CG 3.25Å; Q737-M741 WeakPolarHBondContact O-CG 2.97Å; Q737-M741 PolarHBondContact O-N 2.84Å; Q737-P780 HydrophobicContact CB-CG 4.24Å
738	V	97.6	Very high	96.3	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-60	-44.3	177.2	171.3	0	0	0	0	110.8	Q734 Q735 V736 M741 L742 L779 P780 F783	Q734-V738 WeakPolarHBondContact O-CG2 3.47Å; Q734-V738 PolarHBondContact O-N 3.32Å; Q734-V738 VanDerWaalsContact O-N 3.09Å; Q735-V738 PolarHBondContact O-N 2.7Å; V736-V738 PolarHBondContact O-N 2.87Å; V738-M741 PolarHBondContact O-N 3.1Å; V738-L742 HydrophobicContact CG1-CD1 3.83Å; V738-L742 HydrophobicContact CG1-CG 4.27Å; V738-L742 WeakPolarHBondContact O-CB 3.45Å; V738-L742 VanDerWaalsContact O-CG 3.29Å; V738-L742 WeakPolarHBondContact O-CG 3.48Å; V738-L742 PolarHBondContact O-N 2.9Å; V738-L779 HydrophobicContact CB-CD1 4.46Å; V738-L779 HydrophobicContact CG1-CD1 4.37Å; V738-L779 HydrophobicContact CG2-CD1 3.94Å; V738-P780 HydrophobicContact CG2-CB 4.35Å; V738-P780 HydrophobicContact CG2-CG 3.9Å; V738-F783 HydrophobicContact CG1-CD1 4.44Å; V738-F783 HydrophobicContact CG1-CE1 4.05Å; V738-F783 HydrophobicContact CG1-CE2 4.17Å; V738-F783 HydrophobicContact CG1-CZ 3.91Å; V738-F783 HydrophobicContact CG2-CB 4.34Å; V738-F783 HydrophobicContact CG2-CD1 3.77Å; V738-F783 HydrophobicContact CG2-CD2 4.4Å; V738-F783 HydrophobicContact CG2-CE1 4.16Å; V738-F783 HydrophobicContact CG2-CG 3.92Å
739	I	97.4	Very high	95.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-46.1	-179.4	-72.9	154.8	0	0	0	111.5	W697 Q735 V736 Q737 M741 L742 Q743 P786 F832 T872 I876 M878	W697-I739 HydrophobicContact CH2-CD1 3.14Å; W697-I739 HydrophobicContact CZ2-CD1 3.86Å; W697-I739 HydrophobicContact CZ3-CD1 3.68Å; Q735-I739 WeakPolarHBondContact O-CD1 3.3Å; Q735-I739 WeakPolarHBondContact O-CG1 3.22Å; Q735-I739 PolarHBondContact O-N 3.43Å; V736-I739 PolarHBondContact O-N 2.67Å; Q737-I739 VanDerWaalsContact C-N 3.32Å; Q737-I739 PolarHBondContact O-N 3.25Å; I739-M741 VanDerWaalsContact C-N 3.35Å; I739-M741 PolarHBondContact O-N 3.07Å; I739-L742 PolarHBondContact O-N 3.37Å; I739-Q743 VanDerWaalsContact O-CB 3.3Å; I739-Q743 WeakPolarHBondContact O-CB 3.48Å; I739-Q743 PolarHBondContact O-N 2.94Å; I739-P786 HydrophobicContact CD1-CG 4.4Å; I739-F832 HydrophobicContact CG2-CE2 4.38Å; I739-T872 HydrophobicContact CD1-CG2 3.77Å; I739-T872 HydrophobicContact CG1-CG2 4.41Å; I739-I876 HydrophobicContact CG2-CD1 3.78Å; I739-M878 HydrophobicContact CG1-CE 3.72Å
740	E	96.2	Very high	95.2	Very high	88 Å²	88	39.5 Å²	39.5	41%	0.411	19%	0.189	S	C	.	.	H	α-helix	trans	-63.1	-41	178.4	-72.1	176.4	174.2	0	0	111.7	V736 Q737 Q743 K744	V736-E740 HydrophobicContact CG1-CG 4.33Å; V736-E740 WeakPolarHBondContact O-CG 3.07Å; V736-E740 PolarHBondContact O-N 2.93Å; Q737-E740 PolarHBondContact O-N 2.95Å; E740-Q743 PolarHBondContact O-N 3.32Å; E740-K744 PolarHBondContact O-N 2.97Å
741	M	96.1	Very high	94.5	Very high	42 Å²	42	38.3 Å²	38.3	21%	0.207	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-46.3	175.8	-70.4	176.8	-171.4	0	0	111.9	Q737 V738 I739 Q743 K744 V745 L774 S778 L779	Q737-M741 WeakPolarHBondContact O-CB 3.25Å; Q737-M741 VanDerWaalsContact O-CG 3.25Å; Q737-M741 WeakPolarHBondContact O-CG 2.97Å; Q737-M741 PolarHBondContact O-N 2.84Å; V738-M741 PolarHBondContact O-N 3.1Å; I739-M741 VanDerWaalsContact C-N 3.35Å; I739-M741 PolarHBondContact O-N 3.07Å; M741-Q743 VanDerWaalsContact C-N 3.34Å; M741-K744 PolarHBondContact O-N 2.88Å; M741-V745 WeakPolarHBondContact O-CG2 3.32Å; M741-V745 PolarHBondContact O-N 2.96Å; M741-L774 HydrophobicContact CB-CD1 4.21Å; M741-L774 HydrophobicContact CG-CD2 4.47Å; M741-L774 HydrophobicContact SD-CD2 4.39Å; M741-S778 WeakPolarHBondContact CE-O 3.3Å; M741-L779 HydrophobicContact SD-CD1 3.98Å
742	L	96.1	Very high	93.5	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-36.3	177.2	-70.8	178.2	0	0	0	112.3	V738 I739 V745 T746 L771 L813 F832 M878	V738-L742 HydrophobicContact CG1-CD1 3.83Å; V738-L742 HydrophobicContact CG1-CG 4.27Å; V738-L742 WeakPolarHBondContact O-CB 3.45Å; V738-L742 VanDerWaalsContact O-CG 3.29Å; V738-L742 WeakPolarHBondContact O-CG 3.48Å; V738-L742 PolarHBondContact O-N 2.9Å; I739-L742 PolarHBondContact O-N 3.37Å; L742-V745 PolarHBondContact O-N 3Å; L742-T746 WeakPolarHBondContact O-CB 3.31Å; L742-T746 PolarHBondContact O-N 2.94Å; L742-T746 PolarHBondContact O-OG1 3.12Å; L742-L771 HydrophobicContact CD2-CD2 4.25Å; L742-L813 HydrophobicContact CD1-CD1 3.63Å; L742-L813 HydrophobicContact CD2-CD1 3.69Å; L742-L813 HydrophobicContact CG-CD1 4.3Å; L742-F832 HydrophobicContact CB-CD1 4.16Å; L742-F832 HydrophobicContact CB-CD2 4.01Å; L742-F832 HydrophobicContact CB-CE1 4.05Å; L742-F832 HydrophobicContact CB-CE2 3.89Å; L742-F832 HydrophobicContact CB-CG 4.14Å; L742-F832 HydrophobicContact CB-CZ 3.91Å; L742-F832 HydrophobicContact CD1-CD2 3.94Å; L742-F832 HydrophobicContact CD1-CE2 4.41Å; L742-F832 HydrophobicContact CD1-CG 4.29Å; L742-M878 HydrophobicContact CD1-CE 3.99Å
743	Q	95.7	Very high	92.1	Very high	57 Å²	57	41.3 Å²	41.3	27%	0.266	21%	0.211	S	C	.	.	H	α-helix	trans	-59.8	-49.4	173.3	-177.8	178.2	18.8	0	0	110.5	I739 E740 M741 V745 T746 I747 F832 I876	I739-Q743 VanDerWaalsContact O-CB 3.3Å; I739-Q743 WeakPolarHBondContact O-CB 3.48Å; I739-Q743 PolarHBondContact O-N 2.94Å; E740-Q743 PolarHBondContact O-N 3.32Å; M741-Q743 VanDerWaalsContact C-N 3.34Å; Q743-V745 PolarHBondContact O-N 3.27Å; Q743-T746 PolarHBondContact O-N 3.33Å; Q743-T746 VanDerWaalsContact O-N 3.13Å; Q743-I747 HydrophobicContact CG-CD1 3.99Å; Q743-I747 WeakPolarHBondContact O-CG1 3.48Å; Q743-I747 PolarHBondContact O-N 3.05Å; Q743-F832 HydrophobicContact CB-CZ 4.15Å; Q743-I876 HydrophobicContact CG-CG2 4.4Å
744	K	94.6	Very high	90.4	Very high	144 Å²	144	42.6 Å²	42.6	63%	0.626	23%	0.225	S	C	*	.	H	α-helix	trans	-58.9	-46.4	177.3	-174.1	175.8	-178.7	175.9	0	112.1	E740 M741 T746 I747 D748	E740-K744 PolarHBondContact O-N 2.97Å; M741-K744 PolarHBondContact O-N 2.88Å; K744-T746 VanDerWaalsContact C-N 3.29Å; K744-T746 PolarHBondContact O-N 3.3Å; K744-I747 PolarHBondContact O-N 2.91Å; K744-D748 PolarHBondContact O-N 3.23Å
745	V	93.9	Very high	88.4	Confident	7 Å²	7	49 Å²	49	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-57.9	-43.8	174.8	170.9	0	0	0	0	111.1	M741 L742 Q743 D748 I749 L767 K770 L774 L811	M741-V745 WeakPolarHBondContact O-CG2 3.32Å; M741-V745 PolarHBondContact O-N 2.96Å; L742-V745 PolarHBondContact O-N 3Å; Q743-V745 PolarHBondContact O-N 3.27Å; V745-D748 PolarHBondContact O-N 3.34Å; V745-I749 HydrophobicContact CG1-CG1 4.19Å; V745-I749 WeakPolarHBondContact O-CB 3.37Å; V745-I749 VanDerWaalsContact O-CG1 3.22Å; V745-I749 WeakPolarHBondContact O-CG1 3.23Å; V745-I749 PolarHBondContact O-N 3.45Å; V745-L767 HydrophobicContact CG1-CD1 3.69Å; V745-K770 HydrophobicContact CG2-CB 4.48Å; V745-L774 HydrophobicContact CG2-CD1 3.44Å; V745-L774 VanDerWaalsContact CG2-CD1 3.44Å; V745-L811 HydrophobicContact CG1-CD1 4.3Å
746	T	92.1	Very high	86.3	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-66	-41.6	-178.7	-53.6	0	0	0	0	112	L742 Q743 K744 I749 K750 L811 F832 H834	L742-T746 WeakPolarHBondContact O-CB 3.31Å; L742-T746 PolarHBondContact O-N 2.94Å; L742-T746 PolarHBondContact O-OG1 3.12Å; Q743-T746 PolarHBondContact O-N 3.33Å; Q743-T746 VanDerWaalsContact O-N 3.13Å; K744-T746 VanDerWaalsContact C-N 3.29Å; K744-T746 PolarHBondContact O-N 3.3Å; T746-I749 PolarHBondContact O-N 3.11Å; T746-K750 HydrophobicContact CG2-CD 4.15Å; T746-K750 HydrophobicContact CG2-CG 4.45Å; T746-K750 WeakPolarHBondContact O-CB 3.48Å; T746-K750 VanDerWaalsContact O-CG 3.26Å; T746-K750 WeakPolarHBondContact O-CG 2.94Å; T746-K750 PolarHBondContact O-N 3.49Å; T746-L811 VanDerWaalsContact OG1-CD1 3.23Å; T746-L811 WeakPolarHBondContact OG1-CD1 3.22Å; T746-F832 WeakPolarHBondContact OG1-CD1 3.5Å; T746-F832 WeakPolarHBondContact OG1-CE1 3.2Å; T746-H834 HydrophobicContact CG2-CB 3.52Å
747	I	91.3	Very high	84.3	Confident	81 Å²	81	66.6 Å²	66.6	42%	0.415	33%	0.328	S	S	.	.	H	α-helix	trans	-60.2	-47.2	175.1	-69.1	167.5	0	0	0	110.2	Q743 K744 I749 K750 S751	Q743-I747 HydrophobicContact CG-CD1 3.99Å; Q743-I747 WeakPolarHBondContact O-CG1 3.48Å; Q743-I747 PolarHBondContact O-N 3.05Å; K744-I747 PolarHBondContact O-N 2.91Å; I747-I749 PolarHBondContact O-N 3.31Å; I747-K750 PolarHBondContact O-N 3.18Å; I747-S751 PolarHBondContact O-N 3.49Å
748	D	90.2	Very high	82.8	Confident	48 Å²	48	70 Å²	70	26%	0.257	35%	0.348	S	S	.	.	H	α-helix	trans	-58.7	-50.9	177.4	-70.6	-9.6	0	0	0	111	K744 V745 K750 S751 L752 K770	K744-D748 PolarHBondContact O-N 3.23Å; V745-D748 PolarHBondContact O-N 3.34Å; D748-K750 VanDerWaalsContact C-N 3.3Å; D748-K750 PolarHBondContact O-N 3.38Å; D748-S751 WeakPolarHBondContact O-CB 3.35Å; D748-S751 PolarHBondContact O-N 2.99Å; D748-S751 VanDerWaalsContact O-N 3.13Å; D748-S751 PolarHBondContact O-OG 3.21Å; D748-L752 VanDerWaalsContact O-CD1 3.27Å; D748-L752 WeakPolarHBondContact O-CD1 3.47Å; D748-L752 VanDerWaalsContact O-CG 3.3Å; D748-L752 WeakPolarHBondContact O-CG 3.48Å; D748-L752 PolarHBondContact O-N 3.44Å; D748-K770 HydrophobicContact CB-CD 4.4Å; D748-K770 IonicContact OD2-NZ 2.74Å; D748-K770 PolarHBondContact OD2-NZ 3.32Å
749	I	88.1	Confident	81.7	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-62	-35.9	-179.5	-68.4	-64.2	0	0	0	112.3	V745 T746 I747 L752 S753 V763 Q766 L767 K770 V803	V745-I749 HydrophobicContact CG1-CG1 4.19Å; V745-I749 WeakPolarHBondContact O-CB 3.37Å; V745-I749 VanDerWaalsContact O-CG1 3.22Å; V745-I749 WeakPolarHBondContact O-CG1 3.23Å; V745-I749 PolarHBondContact O-N 3.45Å; T746-I749 PolarHBondContact O-N 3.11Å; I747-I749 PolarHBondContact O-N 3.31Å; I749-L752 HydrophobicContact CD1-CD1 4.36Å; I749-L752 PolarHBondContact O-N 2.9Å; I749-S753 PolarHBondContact O-N 2.91Å; I749-S753 PolarHBondContact O-OG 3.4Å; I749-V763 HydrophobicContact CG2-CG1 3.76Å; I749-Q766 HydrophobicContact CD1-CB 4.45Å; I749-Q766 HydrophobicContact CD1-CG 4.46Å; I749-L767 HydrophobicContact CD1-CB 3.95Å; I749-L767 HydrophobicContact CG1-CB 4.45Å; I749-L767 HydrophobicContact CG1-CD1 4.27Å; I749-K770 HydrophobicContact CD1-CD 4.48Å; I749-V803 HydrophobicContact CG2-CG2 4.02Å
750	K	85.1	Confident	80.8	Confident	51 Å²	51	74 Å²	74	22%	0.222	38%	0.375	C	S	.	.	H	α-helix	trans	-68.5	-38.8	174.5	-75.4	-179.7	178	-143.4	0	112.2	T746 I747 D748 L752 S753 K808 H834	T746-K750 HydrophobicContact CG2-CD 4.15Å; T746-K750 HydrophobicContact CG2-CG 4.45Å; T746-K750 WeakPolarHBondContact O-CB 3.48Å; T746-K750 VanDerWaalsContact O-CG 3.26Å; T746-K750 WeakPolarHBondContact O-CG 2.94Å; T746-K750 PolarHBondContact O-N 3.49Å; I747-K750 PolarHBondContact O-N 3.18Å; D748-K750 VanDerWaalsContact C-N 3.3Å; D748-K750 PolarHBondContact O-N 3.38Å; K750-L752 PolarHBondContact O-N 3.14Å; K750-S753 CarbonylContact O-C 3.27Å; K750-S753 PolarHBondContact O-N 3.28Å; K750-K808 WeakPolarHBondContact CE-O 3.27Å; K750-K808 PolarHBondContact NZ-O 3.43Å; K750-H834 PolarHBondContact NZ-O 3.43Å
751	S	82.8	Confident	80.2	Confident	96 Å²	96	74.7 Å²	74.7	67%	0.671	39%	0.39	S	S	*	.	H	α-helix	trans	-62.7	-31.2	176.6	77.2	0	0	0	0	112.8	I747 D748 S753	I747-S751 PolarHBondContact O-N 3.49Å; D748-S751 WeakPolarHBondContact O-CB 3.35Å; D748-S751 PolarHBondContact O-N 2.99Å; D748-S751 VanDerWaalsContact O-N 3.13Å; D748-S751 PolarHBondContact O-OG 3.21Å; S751-S753 VanDerWaalsContact C-N 3.33Å
752	L	78.1	Confident	79.7	Confident	80 Å²	80	79.6 Å²	79.6	42%	0.419	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.6	-179.9	-65.7	156.5	0	0	0	113.2	D748 I749 K750 Q766	D748-L752 VanDerWaalsContact O-CD1 3.27Å; D748-L752 WeakPolarHBondContact O-CD1 3.47Å; D748-L752 VanDerWaalsContact O-CG 3.3Å; D748-L752 WeakPolarHBondContact O-CG 3.48Å; D748-L752 PolarHBondContact O-N 3.44Å; I749-L752 HydrophobicContact CD1-CD1 4.36Å; I749-L752 PolarHBondContact O-N 2.9Å; K750-L752 PolarHBondContact O-N 3.14Å; L752-Q766 HydrophobicContact CD1-CG 4.19Å; L752-Q766 VanDerWaalsContact CD1-NE2 3.31Å
753	S	68.9	Low	79.3	Confident	12 Å²	12	79.9 Å²	79.9	8%	0.084	41%	0.414	C	S	.	.	S	Bend	trans	-131.6	102.1	-173.6	67.4	0	0	0	0	110	I749 K750 S751 E755 K809	I749-S753 PolarHBondContact O-N 2.91Å; I749-S753 PolarHBondContact O-OG 3.4Å; K750-S753 CarbonylContact O-C 3.27Å; K750-S753 PolarHBondContact O-N 3.28Å; S751-S753 VanDerWaalsContact C-N 3.33Å; S753-E755 PolarHBondContact O-N 2.81Å; S753-K809 PolarHBondContact O-NZ 2.94Å; S753-K809 WeakPolarHBondContact OG-CD 3.47Å; S753-K809 PolarHBondContact OG-NZ 3.29Å
754	A	62.7	Low	78.9	Confident	59 Å²	59	79.7 Å²	79.7	49%	0.488	41%	0.414	S	S	.	.			trans	-55.3	141.8	177.9	0	0	0	0	0	111.5	K756 Y757 K809	A754-K756 PolarHBondContact O-N 2.8Å; A754-Y757 HydrophobicContact CB-CD2 3.87Å; A754-Y757 HydrophobicContact CB-CE2 4.22Å; A754-Y757 PolarHBondContact O-N 2.86Å; A754-K809 PolarHBondContact O-NZ 2.94Å
755	E	56.5	Low	78.7	Confident	175 Å²	175	76.5 Å²	76.5	82%	0.818	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.8	-172	-66	-173.4	159	0	0	114.3	S753	S753-E755 PolarHBondContact O-N 2.81Å
756	K	53	Low	78.6	Confident	196 Å²	196	78.7 Å²	78.7	85%	0.852	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-12.8	-173.9	-66.6	-176.1	179.4	178.2	0	115.7	A754	A754-K756 PolarHBondContact O-N 2.8Å
757	Y	57.8	Low	78.7	Confident	176 Å²	176	78.7 Å²	78.7	69%	0.69	42%	0.42	S	S	*	.	S	Bend	trans	-109.9	148.3	-175.6	-59.1	-83.3	0	0	0	112.1	A754	A754-Y757 HydrophobicContact CB-CD2 3.87Å; A754-Y757 HydrophobicContact CB-CE2 4.22Å; A754-Y757 PolarHBondContact O-N 2.86Å
758	D	65.1	Low	78.9	Confident	151 Å²	151	77.7 Å²	77.7	81%	0.807	41%	0.412	S	S	*	.			trans	-56	153.5	173.6	-74.3	-35.1	0	0	0	112.1	S760	D758-S760 PolarHBondContact O-N 2.82Å; D758-S760 VanDerWaalsContact O-N 3.14Å
759	V	74	Confident	79.1	Confident	32 Å²	32	80.8 Å²	80.8	19%	0.194	43%	0.425	C	S	.	.			trans	-66.9	110.7	178.1	179.1	0	0	0	0	109.1	V763 I764 V803	V759-V763 HydrophobicContact CG1-CB 4.37Å; V759-V763 HydrophobicContact CG1-CG1 4.3Å; V759-I764 HydrophobicContact CG1-CD1 4.18Å; V759-I764 HydrophobicContact CG1-CG1 3.83Å; V759-V803 HydrophobicContact CG1-CB 3.86Å; V759-V803 HydrophobicContact CG1-CG1 4.24Å; V759-V803 HydrophobicContact CG2-CB 4.37Å; V759-V803 HydrophobicContact CG2-CG1 3.92Å
760	S	78.9	Confident	79.5	Confident	54 Å²	54	83.3 Å²	83.3	38%	0.378	44%	0.436	S	S	.	.			trans	-76	157.3	177.3	75.5	0	0	0	0	112.3	D758 Q762 V763 I764	D758-S760 PolarHBondContact O-N 2.82Å; D758-S760 VanDerWaalsContact O-N 3.14Å; S760-Q762 PolarHBondContact O-N 2.68Å; S760-V763 WeakPolarHBondContact O-CB 3.41Å; S760-V763 PolarHBondContact O-N 2.82Å; S760-V763 VanDerWaalsContact O-N 3.09Å; S760-V763 WeakPolarHBondContact OG-CG2 3.47Å; S760-V763 PolarHBondContact OG-N 3.38Å; S760-I764 PolarHBondContact O-N 2.83Å
761	S	83.6	Confident	79.9	Confident	103 Å²	103	80.9 Å²	80.9	72%	0.72	43%	0.425	S	S	*	.	H	α-helix	trans	-58.1	-31.8	174.3	55.1	0	0	0	0	112.8	I764 S765	S761-I764 PolarHBondContact O-N 2.83Å; S761-S765 PolarHBondContact O-N 2.93Å
762	Q	85.3	Confident	80.6	Confident	145 Å²	145	80.8 Å²	80.8	68%	0.678	42%	0.415	S	S	*	.	H	α-helix	trans	-63.6	-40.4	175.6	-172.3	178	-1.8	0	0	112	S760 I764 S765 Q766	S760-Q762 PolarHBondContact O-N 2.68Å; Q762-I764 VanDerWaalsContact C-N 3.34Å; Q762-I764 PolarHBondContact O-N 3.09Å; Q762-S765 PolarHBondContact O-N 2.82Å; Q762-Q766 WeakPolarHBondContact O-CB 3.43Å; Q762-Q766 PolarHBondContact O-N 2.77Å
763	V	86.9	Confident	81.3	Confident	9 Å²	9	81.3 Å²	81.3	6%	0.055	42%	0.418	C	S	.	.	H	α-helix	trans	-64.3	-40.5	177	174.5	0	0	0	0	110.9	I749 V759 S760 Q766 L767 V803	I749-V763 HydrophobicContact CG2-CG1 3.76Å; V759-V763 HydrophobicContact CG1-CB 4.37Å; V759-V763 HydrophobicContact CG1-CG1 4.3Å; S760-V763 WeakPolarHBondContact O-CB 3.41Å; S760-V763 PolarHBondContact O-N 2.82Å; S760-V763 VanDerWaalsContact O-N 3.09Å; S760-V763 WeakPolarHBondContact OG-CG2 3.47Å; S760-V763 PolarHBondContact OG-N 3.38Å; V763-Q766 PolarHBondContact O-N 2.84Å; V763-L767 PolarHBondContact O-N 2.82Å; V763-V803 HydrophobicContact CG1-CG2 4.29Å
764	I	88.6	Confident	82.5	Confident	52 Å²	52	82.2 Å²	82.2	27%	0.267	42%	0.422	S	S	.	.	H	α-helix	trans	-66	-43.6	176.9	-61.1	173.3	0	0	0	110.7	V759 S760 S761 Q762 Q766 L767 K768	V759-I764 HydrophobicContact CG1-CD1 4.18Å; V759-I764 HydrophobicContact CG1-CG1 3.83Å; S760-I764 PolarHBondContact O-N 2.83Å; S761-I764 PolarHBondContact O-N 2.83Å; Q762-I764 VanDerWaalsContact C-N 3.34Å; Q762-I764 PolarHBondContact O-N 3.09Å; I764-Q766 VanDerWaalsContact C-N 3.32Å; I764-Q766 PolarHBondContact O-N 2.92Å; I764-L767 WeakPolarHBondContact O-CB 3.48Å; I764-L767 PolarHBondContact O-N 2.83Å; I764-K768 HydrophobicContact CG2-CD 4.5Å; I764-K768 WeakPolarHBondContact O-CG 3.46Å; I764-K768 PolarHBondContact O-N 2.95Å
765	S	90.8	Very high	84	Confident	77 Å²	77	82.3 Å²	82.3	54%	0.538	41%	0.412	S	S	.	.	H	α-helix	trans	-59.4	-44.3	175.9	-174.8	0	0	0	0	111.6	S761 Q762 L767 K768 Q769	S761-S765 PolarHBondContact O-N 2.93Å; Q762-S765 PolarHBondContact O-N 2.82Å; S765-L767 PolarHBondContact O-N 2.93Å; S765-K768 PolarHBondContact O-N 3.26Å; S765-Q769 PolarHBondContact O-N 2.86Å
766	Q	91.9	Very high	85.6	Confident	54 Å²	54	80.4 Å²	80.4	25%	0.252	41%	0.407	S	S	.	.	H	α-helix	trans	-67.9	-35.7	178.7	-168.5	166.2	15.8	0	0	113.2	I749 L752 Q762 V763 I764 K770	I749-Q766 HydrophobicContact CD1-CB 4.45Å; I749-Q766 HydrophobicContact CD1-CG 4.46Å; L752-Q766 HydrophobicContact CD1-CG 4.19Å; L752-Q766 VanDerWaalsContact CD1-NE2 3.31Å; Q762-Q766 WeakPolarHBondContact O-CB 3.43Å; Q762-Q766 PolarHBondContact O-N 2.77Å; V763-Q766 PolarHBondContact O-N 2.84Å; I764-Q766 VanDerWaalsContact C-N 3.32Å; I764-Q766 PolarHBondContact O-N 2.92Å; Q766-K770 WeakPolarHBondContact O-CB 3.16Å; Q766-K770 WeakPolarHBondContact O-CG 3.4Å; Q766-K770 PolarHBondContact O-N 3.14Å
767	L	93.8	Very high	87.2	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-57.8	-53.5	169.8	171.9	68.5	0	0	0	110	V745 I749 V763 I764 S765 Q769 K770 L771 V803 L811	V745-L767 HydrophobicContact CG1-CD1 3.69Å; I749-L767 HydrophobicContact CD1-CB 3.95Å; I749-L767 HydrophobicContact CG1-CB 4.45Å; I749-L767 HydrophobicContact CG1-CD1 4.27Å; V763-L767 PolarHBondContact O-N 2.82Å; I764-L767 WeakPolarHBondContact O-CB 3.48Å; I764-L767 PolarHBondContact O-N 2.83Å; S765-L767 PolarHBondContact O-N 2.93Å; L767-Q769 VanDerWaalsContact C-N 3.35Å; L767-Q769 PolarHBondContact O-N 2.76Å; L767-K770 PolarHBondContact O-N 3.47Å; L767-K770 VanDerWaalsContact O-N 3.16Å; L767-L771 HydrophobicContact CD1-CD1 3.96Å; L767-L771 HydrophobicContact CD1-CG 4.06Å; L767-L771 HydrophobicContact CG-CD1 3.96Å; L767-L771 HydrophobicContact CG-CG 4.37Å; L767-L771 WeakPolarHBondContact O-CG 3.48Å; L767-L771 PolarHBondContact O-N 3Å; L767-V803 HydrophobicContact CB-CG2 4.43Å; L767-V803 HydrophobicContact CD2-CG2 3.69Å; L767-L811 HydrophobicContact CD1-CD1 4.22Å; L767-L811 HydrophobicContact CD1-CD2 4.01Å; L767-L811 HydrophobicContact CD2-CD2 4.29Å
768	K	95	Very high	88.5	Confident	60 Å²	60	69.8 Å²	69.8	26%	0.261	38%	0.383	S	S	.	.	H	α-helix	trans	-58.4	-45.7	-177.8	-71.2	-176.4	173	-167.6	0	111.7	I764 S765 K770 L771 E772 I798 E799 C801	I764-K768 HydrophobicContact CG2-CD 4.5Å; I764-K768 WeakPolarHBondContact O-CG 3.46Å; I764-K768 PolarHBondContact O-N 2.95Å; S765-K768 PolarHBondContact O-N 3.26Å; K768-K770 PolarHBondContact O-N 3.44Å; K768-L771 PolarHBondContact O-N 3.21Å; K768-E772 WeakPolarHBondContact O-CG 3.31Å; K768-E772 PolarHBondContact O-N 2.97Å; K768-I798 HydrophobicContact CB-CG2 3.81Å; K768-I798 HydrophobicContact CD-CG2 4.5Å; K768-I798 WeakPolarHBondContact CE-O 3.44Å; K768-I798 HydrophobicContact CG-CG2 3.9Å; K768-E799 PolarHBondContact NZ-O 3.34Å; K768-C801 WeakPolarHBondContact CE-O 3.5Å
769	Q	94.9	Very high	89.7	Confident	114 Å²	114	63.5 Å²	63.5	53%	0.533	35%	0.35	S	S	.	.	H	α-helix	trans	-59.3	-43.8	175.7	-171.9	-174.9	17	0	0	112.8	S765 L767 E772 N773	S765-Q769 PolarHBondContact O-N 2.86Å; L767-Q769 VanDerWaalsContact C-N 3.35Å; L767-Q769 PolarHBondContact O-N 2.76Å; Q769-E772 PolarHBondContact O-N 3.46Å; Q769-N773 VanDerWaalsContact O-CG 3.25Å; Q769-N773 PolarHBondContact O-N 2.9Å; Q769-N773 PolarHBondContact O-ND2 2.88Å
770	K	94.9	Very high	90.7	Very high	53 Å²	53	62.9 Å²	62.9	23%	0.23	35%	0.346	C	S	.	.	H	α-helix	trans	-64.4	-41.1	177	-78.9	178	175	-79	0	111.7	V745 D748 I749 Q766 L767 K768 N773 L774	V745-K770 HydrophobicContact CG2-CB 4.48Å; D748-K770 HydrophobicContact CB-CD 4.4Å; D748-K770 IonicContact OD2-NZ 2.74Å; D748-K770 PolarHBondContact OD2-NZ 3.32Å; I749-K770 HydrophobicContact CD1-CD 4.48Å; Q766-K770 WeakPolarHBondContact O-CB 3.16Å; Q766-K770 WeakPolarHBondContact O-CG 3.4Å; Q766-K770 PolarHBondContact O-N 3.14Å; L767-K770 PolarHBondContact O-N 3.47Å; L767-K770 VanDerWaalsContact O-N 3.16Å; K768-K770 PolarHBondContact O-N 3.44Å; K770-N773 PolarHBondContact O-N 3.05Å; K770-L774 WeakPolarHBondContact O-CG 3.25Å; K770-L774 PolarHBondContact O-N 3.28Å
771	L	95.5	Very high	91.3	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-65.3	-40.2	176.7	-67.1	178.2	0	0	0	111.9	L742 L767 K768 L774 Q775 L796 I798 C801 L813	L742-L771 HydrophobicContact CD2-CD2 4.25Å; L767-L771 HydrophobicContact CD1-CD1 3.96Å; L767-L771 HydrophobicContact CD1-CG 4.06Å; L767-L771 HydrophobicContact CG-CD1 3.96Å; L767-L771 HydrophobicContact CG-CG 4.37Å; L767-L771 WeakPolarHBondContact O-CG 3.48Å; L767-L771 PolarHBondContact O-N 3Å; K768-L771 PolarHBondContact O-N 3.21Å; L771-L774 PolarHBondContact O-N 3.03Å; L771-Q775 WeakPolarHBondContact O-CB 3.4Å; L771-Q775 PolarHBondContact O-N 3.44Å; L771-L796 HydrophobicContact CB-CD1 4.39Å; L771-L796 HydrophobicContact CD2-CD1 4.13Å; L771-I798 HydrophobicContact CB-CD1 4.48Å; L771-C801 HydrophobicContact CD1-CB 3.87Å; L771-L813 HydrophobicContact CD1-CD2 4.03Å
772	E	95.9	Very high	91.9	Very high	95 Å²	95	65.9 Å²	65.9	44%	0.444	34%	0.342	S	S	.	.	H	α-helix	trans	-59.4	-47	173.9	-76.9	174.2	-158.9	0	0	111.5	K768 Q769 L774 Q775 N776 I798	K768-E772 WeakPolarHBondContact O-CG 3.31Å; K768-E772 PolarHBondContact O-N 2.97Å; Q769-E772 PolarHBondContact O-N 3.46Å; E772-L774 VanDerWaalsContact C-N 3.34Å; E772-L774 PolarHBondContact O-N 3.43Å; E772-Q775 PolarHBondContact O-N 3.41Å; E772-N776 WeakPolarHBondContact O-CB 3.43Å; E772-N776 VanDerWaalsContact O-CG 3.26Å; E772-N776 PolarHBondContact O-N 2.73Å; E772-N776 PolarHBondContact O-ND2 2.89Å; E772-I798 HydrophobicContact CB-CD1 4.14Å; E772-I798 HydrophobicContact CG-CD1 3.38Å; E772-I798 HydrophobicContact CG-CG2 4.2Å
773	N	94.3	Very high	92.5	Very high	91 Å²	91	59 Å²	59	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-42.8	178.2	-69.7	-21.9	0	0	0	112.1	Q769 K770 S777	Q769-N773 VanDerWaalsContact O-CG 3.25Å; Q769-N773 PolarHBondContact O-N 2.9Å; Q769-N773 PolarHBondContact O-ND2 2.88Å; K770-N773 PolarHBondContact O-N 3.05Å; N773-S777 WeakPolarHBondContact O-CB 3.23Å; N773-S777 PolarHBondContact O-N 3.13Å; N773-S777 PolarHBondContact O-OG 3.38Å
774	L	93.2	Very high	93.1	Very high	31 Å²	31	60.6 Å²	60.6	16%	0.162	32%	0.316	C	S	.	.	H	α-helix	trans	-63.8	-48.5	176.4	-73.1	179.6	0	0	0	111.5	M741 V745 K770 L771 E772 N776 S777 S778 L779	M741-L774 HydrophobicContact CB-CD1 4.21Å; M741-L774 HydrophobicContact CG-CD2 4.47Å; M741-L774 HydrophobicContact SD-CD2 4.39Å; V745-L774 HydrophobicContact CG2-CD1 3.44Å; V745-L774 VanDerWaalsContact CG2-CD1 3.44Å; K770-L774 WeakPolarHBondContact O-CG 3.25Å; K770-L774 PolarHBondContact O-N 3.28Å; L771-L774 PolarHBondContact O-N 3.03Å; E772-L774 VanDerWaalsContact C-N 3.34Å; E772-L774 PolarHBondContact O-N 3.43Å; L774-N776 VanDerWaalsContact C-N 3.26Å; L774-N776 PolarHBondContact O-N 3.48Å; L774-S777 PolarHBondContact O-N 3.37Å; L774-S778 PolarHBondContact O-N 2.83Å; L774-S778 PolarHBondContact O-OG 2.61Å; L774-L779 HydrophobicContact CB-CB 4.48Å; L774-L779 WeakPolarHBondContact O-CB 3.41Å; L774-L779 PolarHBondContact O-N 2.54Å
775	Q	93.4	Very high	93.6	Very high	61 Å²	61	58.1 Å²	58.1	29%	0.285	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-34.7	-179	-178.4	159.1	-87	0	0	112.8	L771 E772	L771-Q775 WeakPolarHBondContact O-CB 3.4Å; L771-Q775 PolarHBondContact O-N 3.44Å; E772-Q775 PolarHBondContact O-N 3.41Å
776	N	91	Very high	93.9	Very high	135 Å²	135	54.5 Å²	54.5	72%	0.722	28%	0.278	S	S	*	.	H	α-helix	trans	-78.9	-21.8	-179.3	-70.1	-23.2	0	0	0	114.3	E772 L774	E772-N776 WeakPolarHBondContact O-CB 3.43Å; E772-N776 VanDerWaalsContact O-CG 3.26Å; E772-N776 PolarHBondContact O-N 2.73Å; E772-N776 PolarHBondContact O-ND2 2.89Å; L774-N776 VanDerWaalsContact C-N 3.26Å; L774-N776 PolarHBondContact O-N 3.48Å
777	S	86.5	Confident	94.2	Very high	93 Å²	93	53 Å²	53	65%	0.65	27%	0.269	S	S	*	.	H	α-helix	trans	-123.4	-35.5	-165.3	63.4	0	0	0	0	115.6	N773 L774	N773-S777 WeakPolarHBondContact O-CB 3.23Å; N773-S777 PolarHBondContact O-N 3.13Å; N773-S777 PolarHBondContact O-OG 3.38Å; L774-S777 PolarHBondContact O-N 3.37Å
778	S	85	Confident	94.4	Very high	55 Å²	55	54 Å²	54	39%	0.385	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.9	-27.3	-158.7	45.6	0	0	0	0	115	M741 L774	M741-S778 WeakPolarHBondContact CE-O 3.3Å; L774-S778 PolarHBondContact O-N 2.83Å; L774-S778 PolarHBondContact O-OG 2.61Å
779	L	90.9	Very high	94.5	Very high	20 Å²	20	51.4 Å²	51.4	11%	0.105	27%	0.265	C	S	.	.	S	Bend	trans	-66	133.5	-179.8	-165.6	71.6	0	0	0	110.5	V738 M741 L774 K781 L796	V738-L779 HydrophobicContact CB-CD1 4.46Å; V738-L779 HydrophobicContact CG1-CD1 4.37Å; V738-L779 HydrophobicContact CG2-CD1 3.94Å; M741-L779 HydrophobicContact SD-CD1 3.98Å; L774-L779 HydrophobicContact CB-CB 4.48Å; L774-L779 WeakPolarHBondContact O-CB 3.41Å; L774-L779 PolarHBondContact O-N 2.54Å; L779-K781 PolarHBondContact O-N 2.9Å; L779-L796 HydrophobicContact CD2-CD1 3.85Å; L779-L796 HydrophobicContact CD2-CG 4.45Å
780	P	94.1	Very high	94.5	Very high	19 Å²	19	46 Å²	46	12%	0.123	24%	0.24	C	C	.	.			trans	-52.2	135	170.4	-29	37.2	0	0	0	111.5	Q734 Q737 V738 S782	Q734-P780 HydrophobicContact CB-CB 4.3Å; Q734-P780 HydrophobicContact CB-CG 4.37Å; Q734-P780 HydrophobicContact CG-CB 4.33Å; Q737-P780 HydrophobicContact CB-CG 4.24Å; V738-P780 HydrophobicContact CG2-CB 4.35Å; V738-P780 HydrophobicContact CG2-CG 3.9Å; P780-S782 PolarHBondContact O-N 2.93Å; P780-S782 VanDerWaalsContact O-N 3.14Å
781	K	92.3	Very high	94.6	Very high	195 Å²	195	45 Å²	45	85%	0.848	24%	0.236	S	C	*	.	S	Bend	trans	-58.9	-27.8	-179.8	-67	-174.2	179.4	-178.3	0	113.2	L779 G794	L779-K781 PolarHBondContact O-N 2.9Å; K781-G794 CarbonylContact O-C 3.58Å
782	S	96.6	Very high	94.7	Very high	24 Å²	24	47.9 Å²	47.9	17%	0.168	25%	0.249	C	C	.	.			trans	-157	155.7	174.3	63.6	0	0	0	0	110.2	Q734 P780 K792 A793	Q734-S782 PolarHBondContact OE1-O 3.26Å; P780-S782 PolarHBondContact O-N 2.93Å; P780-S782 VanDerWaalsContact O-N 3.14Å; S782-K792 WeakPolarHBondContact OG-CE 3.46Å; S782-A793 CarbonylContact C-O 3.52Å; S782-A793 WeakPolarHBondContact CA-O 3.34Å; S782-A793 WeakPolarHBondContact CB-O 3.48Å
783	F	97.9	Very high	94.8	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.009	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	155.6	172.6	66.7	-75.2	0	0	0	110	Q734 Q735 V738 K792 A793 F815 I830	Q734-F783 HydrophobicContact CB-CB 4.23Å; Q735-F783 HydrophobicContact CG-CB 4.5Å; Q735-F783 HydrophobicContact CG-CD2 4.38Å; V738-F783 HydrophobicContact CG1-CD1 4.44Å; V738-F783 HydrophobicContact CG1-CE1 4.05Å; V738-F783 HydrophobicContact CG1-CE2 4.17Å; V738-F783 HydrophobicContact CG1-CZ 3.91Å; V738-F783 HydrophobicContact CG2-CB 4.34Å; V738-F783 HydrophobicContact CG2-CD1 3.77Å; V738-F783 HydrophobicContact CG2-CD2 4.4Å; V738-F783 HydrophobicContact CG2-CE1 4.16Å; V738-F783 HydrophobicContact CG2-CG 3.92Å; F783-K792 CarbonylContact O-C 3.58Å; F783-K792 WeakPolarHBondContact O-CA 3.16Å; F783-A793 HydrophobicContact CD1-CB 4.06Å; F783-A793 HydrophobicContact CE1-CB 3.56Å; F783-A793 HydrophobicContact CE2-CB 4.33Å; F783-A793 HydrophobicContact CZ-CB 3.71Å; F783-A793 PolarHBondContact N-O 2.99Å; F783-A793 PolarHBondContact O-N 3.26Å; F783-F815 HydrophobicContact CE1-CD1 4.16Å; F783-F815 AromaticContact CE1-CE1 3.72Å; F783-F815 HydrophobicContact CE1-CE1 3.72Å; F783-F815 HydrophobicContact CE1-CZ 4.11Å; F783-F815 HydrophobicContact CZ-CE1 4.12Å; F783-F815 HydrophobicContact CZ-CE2 4.49Å; F783-F815 HydrophobicContact CZ-CZ 4.03Å; F783-I830 HydrophobicContact CZ-CD1 4.45Å
784	R	98.1	Very high	94.9	Very high	42 Å²	42	39.2 Å²	39.2	16%	0.158	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	140.8	172.2	-62.3	-175.6	177.8	-67	-14.3	110.4	D278 D731 Q735 P786 P789 L791	D278-R784 VanDerWaalsContact CB-NH1 3.28Å; D278-R784 IonicContact OD2-CZ 3.43Å; D278-R784 IonicContact OD2-NH1 3.31Å; D278-R784 PolarHBondContact OD2-NH1 3.5Å; D278-R784 IonicContact OD2-NH2 2.7Å; D278-R784 PolarHBondContact OD2-NH2 2.94Å; D731-R784 IonicContact OD1-NE 3.6Å; D731-R784 WeakPolarHBondContact OD2-CD 3.39Å; D731-R784 IonicContact OD2-CZ 3.74Å; D731-R784 IonicContact OD2-NE 3.28Å; D731-R784 PolarHBondContact OD2-NE 3.32Å; D731-R784 IonicContact OD2-NH2 3.74Å; Q735-R784 WeakPolarHBondContact CG-O 3.33Å; R784-P786 WeakPolarHBondContact O-CD 3.4Å; R784-P789 WeakPolarHBondContact CD-O 3.44Å; R784-P789 PolarHBondContact NH1-O 3.39Å; R784-L791 WeakPolarHBondContact CA-O 3.27Å
785	V	98.5	Very high	95	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	123.7	179.1	-179.1	0	0	0	0	109.6	Y787 D788 L791 A793 I828 I830	V785-Y787 VanDerWaalsContact C-N 3.3Å; V785-Y787 HydrophobicContact CG1-CD1 3.84Å; V785-Y787 HydrophobicContact CG1-CD2 3.84Å; V785-Y787 HydrophobicContact CG1-CE1 3.5Å; V785-Y787 HydrophobicContact CG1-CE2 3.49Å; V785-Y787 VanDerWaalsContact CG1-CE2 3.49Å; V785-Y787 HydrophobicContact CG1-CG 4Å; V785-Y787 PolarHBondContact O-N 3.36Å; V785-Y787 VanDerWaalsContact O-N 3.17Å; V785-D788 CarbonylContact O-C 3.51Å; V785-D788 PolarHBondContact O-N 2.95Å; V785-D788 VanDerWaalsContact O-O 3.08Å; V785-L791 HydrophobicContact CB-CB 4.29Å; V785-L791 HydrophobicContact CG2-CB 3.9Å; V785-L791 PolarHBondContact N-O 3.01Å; V785-A793 HydrophobicContact CG2-CB 4.12Å; V785-I828 HydrophobicContact CG2-CG2 4.03Å; V785-I830 HydrophobicContact CG1-CD1 4.14Å; V785-I830 HydrophobicContact CG2-CD1 4.38Å
786	P	98.4	Very high	95.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.6	-173.3	-32.6	39.7	0	0	0	115.7	H693 W697 I739 R784 I870 M878	H693-P786 PolarHBondContact NE2-O 3.15Å; W697-P786 HydrophobicContact CZ2-CB 4.33Å; W697-P786 HydrophobicContact CZ2-CG 4.29Å; I739-P786 HydrophobicContact CD1-CG 4.4Å; R784-P786 WeakPolarHBondContact O-CD 3.4Å; P786-I870 HydrophobicContact CB-CG2 3.78Å; P786-I870 VanDerWaalsContact O-CD1 3.31Å; P786-I870 WeakPolarHBondContact O-CD1 3.5Å; P786-M878 HydrophobicContact CB-SD 4.48Å; P786-M878 HydrophobicContact CG-SD 3.73Å
787	Y	97.6	Very high	95.4	Very high	21 Å²	21	33.1 Å²	33.1	8%	0.082	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-10.3	177.1	59.1	-108.6	0	0	0	114	F694 V785 G829 I830 M878 Q880	F694-Y787 WeakPolarHBondContact CZ-O 3.17Å; V785-Y787 VanDerWaalsContact C-N 3.3Å; V785-Y787 HydrophobicContact CG1-CD1 3.84Å; V785-Y787 HydrophobicContact CG1-CD2 3.84Å; V785-Y787 HydrophobicContact CG1-CE1 3.5Å; V785-Y787 HydrophobicContact CG1-CE2 3.49Å; V785-Y787 VanDerWaalsContact CG1-CE2 3.49Å; V785-Y787 HydrophobicContact CG1-CG 4Å; V785-Y787 PolarHBondContact O-N 3.36Å; V785-Y787 VanDerWaalsContact O-N 3.17Å; Y787-G829 PolarHBondContact OH-O 3.47Å; Y787-I830 HydrophobicContact CE1-CG1 4.18Å; Y787-I830 HydrophobicContact CE1-CG2 4.49Å; Y787-M878 HydrophobicContact CD1-CB 4.24Å; Y787-M878 HydrophobicContact CE1-CB 4.47Å; Y787-Q880 HydrophobicContact CD2-CB 4.32Å; Y787-Q880 HydrophobicContact CE1-CB 4.16Å; Y787-Q880 HydrophobicContact CE2-CB 3.74Å; Y787-Q880 HydrophobicContact CE2-CG 3.94Å
788	D	97.6	Very high	95.8	Very high	21 Å²	21	29.7 Å²	29.7	11%	0.112	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	90	176	-174	2.3	0	0	0	110.1	R277 R690 V785 G790 L791	R277-D788 IonicContact CZ-OD2 3.83Å; R277-D788 IonicContact NH1-OD2 3.52Å; R277-D788 IonicContact NH2-OD1 3.65Å; R277-D788 PolarHBondContact NH2-OD1 2.61Å; R277-D788 IonicContact NH2-OD2 2.86Å; R277-D788 PolarHBondContact NH2-OD2 3.43Å; R690-D788 IonicContact NH2-OD1 3.73Å; V785-D788 CarbonylContact O-C 3.51Å; V785-D788 PolarHBondContact O-N 2.95Å; V785-D788 VanDerWaalsContact O-O 3.08Å; D788-G790 PolarHBondContact O-N 3.07Å; D788-G790 VanDerWaalsContact O-N 3.08Å; D788-G790 PolarHBondContact OD1-N 3.01Å; D788-L791 HydrophobicContact CB-CD1 4.28Å; D788-L791 PolarHBondContact O-N 3.28Å; D788-L791 WeakPolarHBondContact OD2-CD1 3.23Å
789	P	97	Very high	96.3	Very high	7 Å²	7	35 Å²	35	5%	0.045	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	-13.5	-174.5	25.3	-33.9	0	0	0	114.3	R690 H693 F694 R784 L791	R690-P789 HydrophobicContact CG-CG 4.4Å; H693-P789 HydrophobicContact CB-CB 4.4Å; H693-P789 HydrophobicContact CB-CG 4.35Å; F694-P789 HydrophobicContact CE2-CG 4.44Å; R784-P789 WeakPolarHBondContact CD-O 3.44Å; R784-P789 PolarHBondContact NH1-O 3.39Å; P789-L791 VanDerWaalsContact C-N 3.28Å
790	G	96.5	Very high	96.5	Very high	1 Å²	1	39 Å²	39	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-20.3	173.8	0	0	0	0	0	113	R277 D278 D788	R277-G790 CarbonylContact C-O 3.57Å; R277-G790 VanDerWaalsContact CA-O 3.29Å; R277-G790 WeakPolarHBondContact CA-O 3.32Å; D278-G790 PolarHBondContact N-O 2.95Å; D788-G790 PolarHBondContact O-N 3.07Å; D788-G790 VanDerWaalsContact O-N 3.08Å; D788-G790 PolarHBondContact OD1-N 3.01Å
791	L	97.1	Very high	96.6	Very high	30 Å²	30	38.2 Å²	38.2	16%	0.157	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	138.3	177.1	-70.1	174.4	0	0	0	111.6	R277 R784 V785 D788 P789	R277-L791 HydrophobicContact CG-CD2 4Å; R784-L791 WeakPolarHBondContact CA-O 3.27Å; V785-L791 HydrophobicContact CB-CB 4.29Å; V785-L791 HydrophobicContact CG2-CB 3.9Å; V785-L791 PolarHBondContact N-O 3.01Å; D788-L791 HydrophobicContact CB-CD1 4.28Å; D788-L791 PolarHBondContact O-N 3.28Å; D788-L791 WeakPolarHBondContact OD2-CD1 3.23Å; P789-L791 VanDerWaalsContact C-N 3.28Å
792	K	97.1	Very high	96.7	Very high	61 Å²	61	33.5 Å²	33.5	27%	0.265	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	108.4	177.8	-160.2	172.9	-178.3	167.8	0	110.2	S782 F783 A818	S782-K792 WeakPolarHBondContact OG-CE 3.46Å; F783-K792 CarbonylContact O-C 3.58Å; F783-K792 WeakPolarHBondContact O-CA 3.16Å; K792-A818 HydrophobicContact CB-CB 4.17Å; K792-A818 HydrophobicContact CD-CB 4.16Å; K792-A818 HydrophobicContact CG-CB 3.86Å; K792-A818 PolarHBondContact O-N 3.36Å
793	A	97.8	Very high	96.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	133.7	173.8	0	0	0	0	0	109.8	S782 F783 V785 F815 I828	S782-A793 CarbonylContact C-O 3.52Å; S782-A793 WeakPolarHBondContact CA-O 3.34Å; S782-A793 WeakPolarHBondContact CB-O 3.48Å; F783-A793 HydrophobicContact CD1-CB 4.06Å; F783-A793 HydrophobicContact CE1-CB 3.56Å; F783-A793 HydrophobicContact CE2-CB 4.33Å; F783-A793 HydrophobicContact CZ-CB 3.71Å; F783-A793 PolarHBondContact N-O 2.99Å; F783-A793 PolarHBondContact O-N 3.26Å; V785-A793 HydrophobicContact CG2-CB 4.12Å; A793-F815 HydrophobicContact CB-CB 3.96Å; A793-F815 HydrophobicContact CB-CD1 4.2Å; A793-F815 HydrophobicContact CB-CG 4.01Å; A793-I828 HydrophobicContact CB-CD1 4.48Å
794	G	95.8	Very high	95.9	Very high	5 Å²	5	35.5 Å²	35.5	5%	0.052	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-127.7	178.5	0	0	0	0	0	111.9	K781 F815 Q816	K781-G794 CarbonylContact O-C 3.58Å; G794-F815 WeakPolarHBondContact O-CD1 3.44Å; G794-Q816 WeakPolarHBondContact CA-O 3.44Å; G794-Q816 PolarHBondContact N-O 3.05Å
795	T	95	Very high	95	Very high	62 Å²	62	38 Å²	38	38%	0.38	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	145.9	179.6	52.2	0	0	0	0	112	F815 Q816	T795-F815 CarbonylContact O-C 3.47Å; T795-F815 VanDerWaalsContact O-CA 3.3Å; T795-F815 WeakPolarHBondContact O-CA 3.47Å; T795-Q816 PolarHBondContact O-N 2.87Å; T795-Q816 PolarHBondContact OG1-OE1 3.43Å; T795-Q816 VanDerWaalsContact OG1-OE1 3.12Å
796	L	96.5	Very high	94	Very high	10 Å²	10	41 Å²	41	5%	0.052	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	135.2	171.9	-79.3	161.6	0	0	0	110.8	L771 L779 I798 L813 F815	L771-L796 HydrophobicContact CB-CD1 4.39Å; L771-L796 HydrophobicContact CD2-CD1 4.13Å; L779-L796 HydrophobicContact CD2-CD1 3.85Å; L779-L796 HydrophobicContact CD2-CG 4.45Å; L796-I798 VanDerWaalsContact C-N 3.34Å; L796-I798 HydrophobicContact CB-CG1 3.89Å; L796-I798 PolarHBondContact O-N 3.32Å; L796-L813 HydrophobicContact CD2-CB 4.29Å; L796-L813 HydrophobicContact CD2-CD2 4.49Å; L796-F815 HydrophobicContact CD1-CE1 4.29Å; L796-F815 HydrophobicContact CD2-CD1 3.66Å; L796-F815 HydrophobicContact CD2-CD2 4.15Å; L796-F815 HydrophobicContact CD2-CE1 3.26Å; L796-F815 HydrophobicContact CD2-CE2 3.77Å; L796-F815 HydrophobicContact CD2-CG 4.1Å; L796-F815 HydrophobicContact CD2-CZ 3.33Å; L796-F815 HydrophobicContact CG-CD1 3.8Å; L796-F815 HydrophobicContact CG-CE1 3.43Å; L796-F815 VanDerWaalsContact CG-CE1 3.43Å; L796-F815 HydrophobicContact CG-CZ 4Å
797	V	96.8	Very high	92.9	Very high	27 Å²	27	49.7 Å²	49.7	16%	0.164	26%	0.259	C	S	.	.			trans	-89.1	78.2	165.5	-171	0	0	0	0	107.7	E799 K800 C801 E814 Q816 T827	V797-E799 PolarHBondContact O-N 2.93Å; V797-E799 VanDerWaalsContact O-N 3.14Å; V797-K800 HydrophobicContact CG1-CB 4.27Å; V797-K800 HydrophobicContact CG1-CD 3.99Å; V797-K800 HydrophobicContact CG1-CG 3.88Å; V797-K800 PolarHBondContact O-N 3.49Å; V797-C801 PolarHBondContact O-N 2.97Å; V797-C801 PolarHBondContact O-SG 3.49Å; V797-C801 VanDerWaalsContact O-SG 3.37Å; V797-E814 HydrophobicContact CB-CB 4.36Å; V797-E814 PolarHBondContact N-O 3.3Å; V797-Q816 HydrophobicContact CG2-CG 3.75Å; V797-T827 HydrophobicContact CB-CG2 4.48Å; V797-T827 HydrophobicContact CG2-CG2 3.81Å
798	I	95.9	Very high	92.1	Very high	20 Å²	20	52.5 Å²	52.5	10%	0.103	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-57.7	-33.4	-170	-59.1	177.5	0	0	0	111.9	K768 L771 E772 L796 K800 C801	K768-I798 HydrophobicContact CB-CG2 3.81Å; K768-I798 HydrophobicContact CD-CG2 4.5Å; K768-I798 WeakPolarHBondContact CE-O 3.44Å; K768-I798 HydrophobicContact CG-CG2 3.9Å; L771-I798 HydrophobicContact CB-CD1 4.48Å; E772-I798 HydrophobicContact CB-CD1 4.14Å; E772-I798 HydrophobicContact CG-CD1 3.38Å; E772-I798 HydrophobicContact CG-CG2 4.2Å; L796-I798 VanDerWaalsContact C-N 3.34Å; L796-I798 HydrophobicContact CB-CG1 3.89Å; L796-I798 PolarHBondContact O-N 3.32Å; I798-K800 PolarHBondContact O-N 3.32Å; I798-C801 WeakPolarHBondContact O-CB 3.38Å; I798-C801 PolarHBondContact O-N 3.45Å; I798-C801 VanDerWaalsContact O-N 3.09Å
799	E	95.9	Very high	91.6	Very high	167 Å²	167	52 Å²	52	78%	0.78	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-56.8	-36.5	177.6	-64.2	-177.9	177.8	0	0	113	K768 V797	K768-E799 PolarHBondContact NZ-O 3.34Å; V797-E799 PolarHBondContact O-N 2.93Å; V797-E799 VanDerWaalsContact O-N 3.14Å
800	K	95.2	Very high	91.3	Very high	104 Å²	104	52 Å²	52	45%	0.452	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-89.2	-11.1	-179.8	-62.6	-172.3	179.8	-175.7	0	113.7	V797 I798 E814	V797-K800 HydrophobicContact CG1-CB 4.27Å; V797-K800 HydrophobicContact CG1-CD 3.99Å; V797-K800 HydrophobicContact CG1-CG 3.88Å; V797-K800 PolarHBondContact O-N 3.49Å; I798-K800 PolarHBondContact O-N 3.32Å; K800-E814 HydrophobicContact CB-CB 4.18Å; K800-E814 HydrophobicContact CB-CG 4.22Å; K800-E814 WeakPolarHBondContact CD-OE2 3.41Å; K800-E814 IonicContact NZ-OE2 3.59Å
801	C	95.7	Very high	91.3	Very high	2 Å²	2	52 Å²	52	1%	0.014	27%	0.269	C	S	.	.			trans	-72.2	138.2	178.1	-63.7	0	0	0	0	111.2	K768 L771 V797 I798 W812 L813	K768-C801 WeakPolarHBondContact CE-O 3.5Å; L771-C801 HydrophobicContact CD1-CB 3.87Å; V797-C801 PolarHBondContact O-N 2.97Å; V797-C801 PolarHBondContact O-SG 3.49Å; V797-C801 VanDerWaalsContact O-SG 3.37Å; I798-C801 WeakPolarHBondContact O-CB 3.38Å; I798-C801 PolarHBondContact O-N 3.45Å; I798-C801 VanDerWaalsContact O-N 3.09Å; C801-W812 VanDerWaalsContact CA-O 3.27Å; C801-W812 WeakPolarHBondContact CA-O 3.48Å; C801-L813 HydrophobicContact CB-CD2 4.38Å
802	K	93.7	Very high	91.3	Very high	97 Å²	97	53 Å²	53	42%	0.422	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	163.6	-177.9	61.9	-175.2	176.9	-172.1	0	112.4	W812	K802-W812 HydrophobicContact CD-CG 4.46Å; K802-W812 HydrophobicContact CG-CB 3.63Å; K802-W812 HydrophobicContact CG-CG 3.92Å; K802-W812 PolarHBondContact N-O 3.06Å; K802-W812 PolarHBondContact O-N 3.09Å
803	V	91.3	Very high	91.3	Very high	9 Å²	9	50.1 Å²	50.1	6%	0.055	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.4	167.2	-175.6	0	0	0	0	108	I749 V759 V763 L767 K809 L811	I749-V803 HydrophobicContact CG2-CG2 4.02Å; V759-V803 HydrophobicContact CG1-CB 3.86Å; V759-V803 HydrophobicContact CG1-CG1 4.24Å; V759-V803 HydrophobicContact CG2-CB 4.37Å; V759-V803 HydrophobicContact CG2-CG1 3.92Å; V763-V803 HydrophobicContact CG1-CG2 4.29Å; L767-V803 HydrophobicContact CB-CG2 4.43Å; L767-V803 HydrophobicContact CD2-CG2 3.69Å; V803-K809 HydrophobicContact CG1-CB 3.79Å; V803-L811 HydrophobicContact CG2-CD2 4.02Å
804	M	87.4	Confident	91.3	Very high	59 Å²	59	51.3 Å²	51.3	29%	0.291	26%	0.264	S	S	.	.			trans	-75.2	142.9	179.5	-59.3	179.5	68.9	0	0	111.2	S806 P810 W812 I831	M804-S806 PolarHBondContact O-N 3.34Å; M804-P810 HydrophobicContact CB-CG 3.9Å; M804-P810 HydrophobicContact CG-CG 4.21Å; M804-P810 PolarHBondContact N-O 3.24Å; M804-P810 HydrophobicContact SD-CB 4.47Å; M804-P810 HydrophobicContact SD-CG 3.82Å; M804-W812 HydrophobicContact CE-CE3 4.37Å; M804-W812 HydrophobicContact CG-CB 4.19Å; M804-W812 HydrophobicContact SD-CE3 4.12Å; M804-I831 HydrophobicContact CE-CD1 4.38Å; M804-I831 HydrophobicContact SD-CD1 3.93Å; M804-I831 HydrophobicContact SD-CG1 4.09Å; M804-I831 HydrophobicContact SD-CG2 4.32Å
805	A	78.4	Confident	91.3	Very high	94 Å²	94	51.2 Å²	51.2	78%	0.777	26%	0.262	S	S	*	.	S	Bend	trans	-75.4	67.2	175.8	0	0	0	0	0	111.3
806	S	77.4	Confident	91.4	Very high	62 Å²	62	53.4 Å²	53.4	43%	0.434	27%	0.268	S	S	.	.	S	Bend	trans	-130.5	156.9	175.8	170.5	0	0	0	0	109.8	M804 K808 K809	M804-S806 PolarHBondContact O-N 3.34Å; S806-K808 PolarHBondContact O-N 3.33Å; S806-K809 WeakPolarHBondContact O-CG 3.41Å; S806-K809 PolarHBondContact O-N 3.41Å
807	K	74.8	Confident	91.4	Very high	184 Å²	184	54.1 Å²	54.1	80%	0.8	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-37.7	179.2	-67.6	178.9	-178.8	172.1	0	112.6
808	K	81.8	Confident	91.3	Very high	80 Å²	80	54.7 Å²	54.7	35%	0.348	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.7	-176.5	-62	-75.9	-177.6	145	0	113.5	K750 S806 G835 D836	K750-K808 WeakPolarHBondContact CE-O 3.27Å; K750-K808 PolarHBondContact NZ-O 3.43Å; S806-K808 PolarHBondContact O-N 3.33Å; K808-G835 PolarHBondContact NZ-O 3.15Å; K808-D836 WeakPolarHBondContact CD-OD1 3.21Å; K808-D836 WeakPolarHBondContact CE-OD1 3.35Å; K808-D836 WeakPolarHBondContact CG-OD2 3.13Å; K808-D836 IonicContact NZ-OD1 2.87Å; K808-D836 PolarHBondContact NZ-OD1 3.23Å
809	K	86.5	Confident	91.3	Very high	10 Å²	10	54.4 Å²	54.4	4%	0.043	28%	0.279	C	S	.	.			trans	46	55.7	175.5	-57.3	-179.4	-172.9	-179.5	0	113.6	S753 A754 V803 S806	S753-K809 PolarHBondContact O-NZ 2.94Å; S753-K809 WeakPolarHBondContact OG-CD 3.47Å; S753-K809 PolarHBondContact OG-NZ 3.29Å; A754-K809 PolarHBondContact O-NZ 2.94Å; V803-K809 HydrophobicContact CG1-CB 3.79Å; S806-K809 WeakPolarHBondContact O-CG 3.41Å; S806-K809 PolarHBondContact O-N 3.41Å
810	P	91.8	Very high	91	Very high	8 Å²	8	52.5 Å²	52.5	5%	0.052	28%	0.281	C	S	.	.			trans	-65.4	152	177.3	27.4	-30.2	0	0	0	111.1	M804 I831 K833	M804-P810 HydrophobicContact CB-CG 3.9Å; M804-P810 HydrophobicContact CG-CG 4.21Å; M804-P810 PolarHBondContact N-O 3.24Å; M804-P810 HydrophobicContact SD-CB 4.47Å; M804-P810 HydrophobicContact SD-CG 3.82Å; P810-I831 HydrophobicContact CB-CG2 3.83Å; P810-K833 HydrophobicContact CB-CB 4.48Å; P810-K833 HydrophobicContact CB-CG 4.25Å
811	L	95.6	Very high	91	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.4	177	-53	-175.3	0	0	0	109.4	V745 T746 L767 V803 L813 I831 F832	V745-L811 HydrophobicContact CG1-CD1 4.3Å; T746-L811 VanDerWaalsContact OG1-CD1 3.23Å; T746-L811 WeakPolarHBondContact OG1-CD1 3.22Å; L767-L811 HydrophobicContact CD1-CD1 4.22Å; L767-L811 HydrophobicContact CD1-CD2 4.01Å; L767-L811 HydrophobicContact CD2-CD2 4.29Å; V803-L811 HydrophobicContact CG2-CD2 4.02Å; L811-L813 HydrophobicContact CB-CD2 4.2Å; L811-L813 HydrophobicContact CB-CG 4.21Å; L811-I831 CarbonylContact O-C 3.53Å; L811-I831 VanDerWaalsContact O-CA 3.26Å; L811-I831 WeakPolarHBondContact O-CA 3.37Å; L811-F832 HydrophobicContact CB-CB 4.28Å; L811-F832 HydrophobicContact CD1-CD1 4.48Å; L811-F832 PolarHBondContact N-O 3.11Å; L811-F832 PolarHBondContact O-N 3.36Å
812	W	96.4	Very high	90.8	Very high	52 Å²	52	51.7 Å²	51.7	20%	0.197	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115.5	167	178.7	-69	0	0	0	108	C801 K802 M804 E814 I831 I881	C801-W812 VanDerWaalsContact CA-O 3.27Å; C801-W812 WeakPolarHBondContact CA-O 3.48Å; K802-W812 HydrophobicContact CD-CG 4.46Å; K802-W812 HydrophobicContact CG-CB 3.63Å; K802-W812 HydrophobicContact CG-CG 3.92Å; K802-W812 PolarHBondContact N-O 3.06Å; K802-W812 PolarHBondContact O-N 3.09Å; M804-W812 HydrophobicContact CE-CE3 4.37Å; M804-W812 HydrophobicContact CG-CB 4.19Å; M804-W812 HydrophobicContact SD-CE3 4.12Å; W812-E814 PolarHBondContact NE1-OE1 3.33Å; W812-I831 HydrophobicContact CE3-CD1 4.42Å; W812-I831 HydrophobicContact CE3-CG1 4.28Å; W812-I881 HydrophobicContact CD2-CD1 3.43Å; W812-I881 VanDerWaalsContact CD2-CD1 3.43Å; W812-I881 HydrophobicContact CD2-CG1 4.49Å; W812-I881 VanDerWaalsContact CE2-CD1 3.41Å; W812-I881 HydrophobicContact CE3-CD1 3.71Å; W812-I881 HydrophobicContact CE3-CG1 4.32Å; W812-I881 HydrophobicContact CG-CD1 3.98Å; W812-I881 HydrophobicContact CH2-CD1 3.93Å; W812-I881 HydrophobicContact CH2-CG1 4.24Å; W812-I881 HydrophobicContact CH2-CG2 3.5Å; W812-I881 VanDerWaalsContact CH2-CG2 3.5Å; W812-I881 HydrophobicContact CZ2-CD1 3.68Å; W812-I881 HydrophobicContact CZ2-CG1 4.41Å; W812-I881 HydrophobicContact CZ2-CG2 3.73Å; W812-I881 HydrophobicContact CZ3-CD1 3.94Å; W812-I881 HydrophobicContact CZ3-CG1 4.19Å; W812-I881 HydrophobicContact CZ3-CG2 4.19Å
813	L	97.8	Very high	90.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.1	-176.7	-55.4	174	0	0	0	109.6	L742 L771 L796 C801 L811 F815 G829 I830 F832	L742-L813 HydrophobicContact CD1-CD1 3.63Å; L742-L813 HydrophobicContact CD2-CD1 3.69Å; L742-L813 HydrophobicContact CG-CD1 4.3Å; L771-L813 HydrophobicContact CD1-CD2 4.03Å; L796-L813 HydrophobicContact CD2-CB 4.29Å; L796-L813 HydrophobicContact CD2-CD2 4.49Å; C801-L813 HydrophobicContact CB-CD2 4.38Å; L811-L813 HydrophobicContact CB-CD2 4.2Å; L811-L813 HydrophobicContact CB-CG 4.21Å; L813-F815 HydrophobicContact CB-CD2 4.44Å; L813-F815 HydrophobicContact CB-CE2 3.69Å; L813-F815 HydrophobicContact CB-CZ 4.34Å; L813-F815 HydrophobicContact CD1-CE2 4.34Å; L813-F815 HydrophobicContact CD1-CZ 4.38Å; L813-G829 WeakPolarHBondContact O-CA 3.42Å; L813-I830 WeakPolarHBondContact CB-O 3.39Å; L813-I830 PolarHBondContact N-O 3.11Å; L813-I830 PolarHBondContact O-N 3.39Å; L813-F832 HydrophobicContact CD1-CB 4.1Å
814	E	97.4	Very high	90.3	Very high	26 Å²	26	53.4 Å²	53.4	12%	0.121	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132	174.2	-71.4	-165.8	-143.7	0	0	110	V797 K800 W812 T827 I828	V797-E814 HydrophobicContact CB-CB 4.36Å; V797-E814 PolarHBondContact N-O 3.3Å; K800-E814 HydrophobicContact CB-CB 4.18Å; K800-E814 HydrophobicContact CB-CG 4.22Å; K800-E814 WeakPolarHBondContact CD-OE2 3.41Å; K800-E814 IonicContact NZ-OE2 3.59Å; W812-E814 PolarHBondContact NE1-OE1 3.33Å; E814-T827 HydrophobicContact CB-CG2 4.31Å; E814-T827 WeakPolarHBondContact OE2-CB 3.4Å; E814-T827 PolarHBondContact OE2-OG1 3.16Å; E814-I828 WeakPolarHBondContact CA-O 3.44Å
815	F	97.2	Very high	90.3	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.009	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	150.3	-179.4	-61.9	-98.5	0	0	0	110.4	F783 A793 G794 T795 L796 L813 T827 I828 I830	F783-F815 HydrophobicContact CE1-CD1 4.16Å; F783-F815 AromaticContact CE1-CE1 3.72Å; F783-F815 HydrophobicContact CE1-CE1 3.72Å; F783-F815 HydrophobicContact CE1-CZ 4.11Å; F783-F815 HydrophobicContact CZ-CE1 4.12Å; F783-F815 HydrophobicContact CZ-CE2 4.49Å; F783-F815 HydrophobicContact CZ-CZ 4.03Å; A793-F815 HydrophobicContact CB-CB 3.96Å; A793-F815 HydrophobicContact CB-CD1 4.2Å; A793-F815 HydrophobicContact CB-CG 4.01Å; G794-F815 WeakPolarHBondContact O-CD1 3.44Å; T795-F815 CarbonylContact O-C 3.47Å; T795-F815 VanDerWaalsContact O-CA 3.3Å; T795-F815 WeakPolarHBondContact O-CA 3.47Å; L796-F815 HydrophobicContact CD1-CE1 4.29Å; L796-F815 HydrophobicContact CD2-CD1 3.66Å; L796-F815 HydrophobicContact CD2-CD2 4.15Å; L796-F815 HydrophobicContact CD2-CE1 3.26Å; L796-F815 HydrophobicContact CD2-CE2 3.77Å; L796-F815 HydrophobicContact CD2-CG 4.1Å; L796-F815 HydrophobicContact CD2-CZ 3.33Å; L796-F815 HydrophobicContact CG-CD1 3.8Å; L796-F815 HydrophobicContact CG-CE1 3.43Å; L796-F815 VanDerWaalsContact CG-CE1 3.43Å; L796-F815 HydrophobicContact CG-CZ 4Å; L813-F815 HydrophobicContact CB-CD2 4.44Å; L813-F815 HydrophobicContact CB-CE2 3.69Å; L813-F815 HydrophobicContact CB-CZ 4.34Å; L813-F815 HydrophobicContact CD1-CE2 4.34Å; L813-F815 HydrophobicContact CD1-CZ 4.38Å; F815-T827 CarbonylContact O-C 3.6Å; F815-T827 WeakPolarHBondContact O-CA 3.28Å; F815-T827 WeakPolarHBondContact O-CB 3.48Å; F815-I828 HydrophobicContact CB-CB 4.4Å; F815-I828 PolarHBondContact N-O 3.38Å; F815-I828 PolarHBondContact O-N 3.11Å; F815-I830 HydrophobicContact CD2-CD1 4.12Å; F815-I830 HydrophobicContact CE2-CB 4.43Å; F815-I830 HydrophobicContact CE2-CD1 4.01Å
816	Q	96.6	Very high	90.8	Very high	109 Å²	109	59 Å²	59	51%	0.509	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	151.5	162.4	-64.3	-175.9	-12.4	0	0	109.6	G794 T795 V797 A818	G794-Q816 WeakPolarHBondContact CA-O 3.44Å; G794-Q816 PolarHBondContact N-O 3.05Å; T795-Q816 PolarHBondContact O-N 2.87Å; T795-Q816 PolarHBondContact OG1-OE1 3.43Å; T795-Q816 VanDerWaalsContact OG1-OE1 3.12Å; V797-Q816 HydrophobicContact CG2-CG 3.75Å; Q816-A818 PolarHBondContact O-N 2.88Å
817	C	95.8	Very high	91.6	Very high	25 Å²	25	56.9 Å²	56.9	17%	0.169	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128.9	167.7	-171.7	0	0	0	0	108.9	D819 V822 I828	C817-D819 PolarHBondContact O-N 3.25Å; C817-V822 HydrophobicContact CB-CB 4.18Å; C817-V822 HydrophobicContact CB-CG1 4.2Å; C817-V822 HydrophobicContact CB-CG2 4.07Å; C817-I828 HydrophobicContact CB-CD1 4.2Å
818	A	96.1	Very high	92.7	Very high	39 Å²	39	49 Å²	49	32%	0.322	27%	0.267	S	S	.	.	S	Bend	trans	-74.3	-15.7	179.4	0	0	0	0	0	112.8	K792 Q816	K792-A818 HydrophobicContact CB-CB 4.17Å; K792-A818 HydrophobicContact CD-CB 4.16Å; K792-A818 HydrophobicContact CG-CB 3.86Å; K792-A818 PolarHBondContact O-N 3.36Å; Q816-A818 PolarHBondContact O-N 2.88Å
819	D	93.8	Very high	93.4	Very high	14 Å²	14	45.5 Å²	45.5	8%	0.075	25%	0.254	C	S	.	.			trans	-81.3	118.5	179.5	-173.3	-22.2	0	0	0	110.6	R273 G276 R277 C817 T821 V822	R273-D819 IonicContact CZ-OD2 3.87Å; R273-D819 IonicContact NH1-OD2 3.28Å; R273-D819 PolarHBondContact NH1-OD2 3.38Å; R273-D819 IonicContact NH2-OD1 3.34Å; R273-D819 PolarHBondContact NH2-OD1 3.04Å; R273-D819 IonicContact NH2-OD2 3.82Å; R273-D819 PolarHBondContact NH2-OD2 2.74Å; G276-D819 VanDerWaalsContact CA-OD2 3.24Å; G276-D819 WeakPolarHBondContact CA-OD2 2.89Å; G276-D819 PolarHBondContact N-OD2 2.89Å; R277-D819 PolarHBondContact N-OD2 3.28Å; C817-D819 PolarHBondContact O-N 3.25Å; D819-T821 PolarHBondContact O-N 2.89Å; D819-T821 VanDerWaalsContact OD1-CB 3.3Å; D819-T821 WeakPolarHBondContact OD1-CB 3.4Å; D819-T821 WeakPolarHBondContact OD1-CG2 3.39Å; D819-T821 PolarHBondContact OD1-N 3.18Å; D819-T821 PolarHBondContact OD1-OG1 3.15Å; D819-T821 PolarHBondContact OD2-OG1 2.71Å; D819-V822 WeakPolarHBondContact O-CB 3.4Å; D819-V822 WeakPolarHBondContact O-CG1 3.5Å; D819-V822 PolarHBondContact O-N 3.13Å
820	P	91.6	Very high	94	Very high	126 Å²	126	45 Å²	45	82%	0.818	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-11.7	-179.1	31	-37.1	0	0	0	113.7	V822	P820-V822 VanDerWaalsContact C-N 3.27Å
821	T	93.4	Very high	94.3	Very high	35 Å²	35	45.9 Å²	45.9	22%	0.215	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	0.4	177.7	70.4	0	0	0	0	113	R273 G276 V306 D819 L823	R273-T821 PolarHBondContact NH2-OG1 3.26Å; G276-T821 PolarHBondContact N-OG1 3.36Å; V306-T821 HydrophobicContact CB-CG2 4.42Å; V306-T821 HydrophobicContact CG1-CG2 4.3Å; V306-T821 HydrophobicContact CG2-CG2 4.05Å; D819-T821 PolarHBondContact O-N 2.89Å; D819-T821 VanDerWaalsContact OD1-CB 3.3Å; D819-T821 WeakPolarHBondContact OD1-CB 3.4Å; D819-T821 WeakPolarHBondContact OD1-CG2 3.39Å; D819-T821 PolarHBondContact OD1-N 3.18Å; D819-T821 PolarHBondContact OD1-OG1 3.15Å; D819-T821 PolarHBondContact OD2-OG1 2.71Å; T821-L823 PolarHBondContact O-N 3.31Å
822	V	92.2	Very high	94.4	Very high	54 Å²	54	45.9 Å²	45.9	33%	0.327	26%	0.256	S	S	.	.			trans	-58.6	131.4	173.7	72.9	0	0	0	0	109.9	C817 D819 P820 S824	C817-V822 HydrophobicContact CB-CB 4.18Å; C817-V822 HydrophobicContact CB-CG1 4.2Å; C817-V822 HydrophobicContact CB-CG2 4.07Å; D819-V822 WeakPolarHBondContact O-CB 3.4Å; D819-V822 WeakPolarHBondContact O-CG1 3.5Å; D819-V822 PolarHBondContact O-N 3.13Å; P820-V822 VanDerWaalsContact C-N 3.27Å; V822-S824 WeakPolarHBondContact CG2-O 3.47Å
823	L	89.8	Confident	94.3	Very high	97 Å²	97	44.5 Å²	44.5	51%	0.508	25%	0.251	S	S	.	.	S	Bend	trans	-90.3	-13.2	-176.8	-61.9	176.5	0	0	0	113.1	C275 H304 T821	C275-L823 HydrophobicContact CB-CD1 4.09Å; C275-L823 HydrophobicContact CB-CG 4.09Å; H304-L823 HydrophobicContact CB-CD1 3.42Å; H304-L823 VanDerWaalsContact CB-CD1 3.42Å; T821-L823 PolarHBondContact O-N 3.31Å
824	S	85.6	Confident	94.1	Very high	45 Å²	45	46.3 Å²	46.3	32%	0.315	26%	0.26	S	S	.	.			trans	-117	143.5	179.7	179.6	0	0	0	0	110.3	V822 E826	V822-S824 WeakPolarHBondContact CG2-O 3.47Å; S824-E826 PolarHBondContact O-N 2.97Å; S824-E826 WeakPolarHBondContact OG-CB 3.34Å; S824-E826 VanDerWaalsContact OG-CD 3.25Å; S824-E826 WeakPolarHBondContact OG-CG 3.43Å; S824-E826 PolarHBondContact OG-N 3.29Å; S824-E826 VanDerWaalsContact OG-N 3.16Å; S824-E826 PolarHBondContact OG-OE1 3.45Å
825	N	86.1	Confident	93.6	Very high	169 Å²	169	46 Å²	46	90%	0.904	26%	0.264	S	S	*	.			trans	-82.1	9.6	171.7	-69.1	-35.6	0	0	0	112.4
826	E	88.7	Confident	93.1	Very high	103 Å²	103	47.9 Å²	47.9	48%	0.481	27%	0.274	S	S	.	.			trans	-65.3	146.6	176.8	-74.2	164.1	-131.9	0	0	112.4	S824 K883	S824-E826 PolarHBondContact O-N 2.97Å; S824-E826 WeakPolarHBondContact OG-CB 3.34Å; S824-E826 VanDerWaalsContact OG-CD 3.25Å; S824-E826 WeakPolarHBondContact OG-CG 3.43Å; S824-E826 PolarHBondContact OG-N 3.29Å; S824-E826 VanDerWaalsContact OG-N 3.16Å; S824-E826 PolarHBondContact OG-OE1 3.45Å; E826-K883 VanDerWaalsContact OE2-CD 3.29Å; E826-K883 WeakPolarHBondContact OE2-CD 3.36Å; E826-K883 WeakPolarHBondContact OE2-CE 3.3Å; E826-K883 IonicContact OE2-NZ 2.66Å; E826-K883 PolarHBondContact OE2-NZ 3.43Å
827	T	95.3	Very high	92.5	Very high	17 Å²	17	44.9 Å²	44.9	10%	0.104	26%	0.261	C	S	.	.			trans	-82.6	160.6	179.1	49.6	0	0	0	0	111.9	V797 E814 F815 K883	V797-T827 HydrophobicContact CB-CG2 4.48Å; V797-T827 HydrophobicContact CG2-CG2 3.81Å; E814-T827 HydrophobicContact CB-CG2 4.31Å; E814-T827 WeakPolarHBondContact OE2-CB 3.4Å; E814-T827 PolarHBondContact OE2-OG1 3.16Å; F815-T827 CarbonylContact O-C 3.6Å; F815-T827 WeakPolarHBondContact O-CA 3.28Å; F815-T827 WeakPolarHBondContact O-CB 3.48Å; T827-K883 WeakPolarHBondContact O-CE 3.28Å; T827-K883 PolarHBondContact O-NZ 2.77Å
828	I	97.3	Very high	92.3	Very high	17 Å²	17	43.7 Å²	43.7	9%	0.087	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	107.7	166.6	-60.9	170.1	0	0	0	106.9	V785 A793 E814 F815 C817 I830	V785-I828 HydrophobicContact CG2-CG2 4.03Å; A793-I828 HydrophobicContact CB-CD1 4.48Å; E814-I828 WeakPolarHBondContact CA-O 3.44Å; F815-I828 HydrophobicContact CB-CB 4.4Å; F815-I828 PolarHBondContact N-O 3.38Å; F815-I828 PolarHBondContact O-N 3.11Å; C817-I828 HydrophobicContact CB-CD1 4.2Å; I828-I830 HydrophobicContact CG2-CD1 4.33Å; I828-I830 HydrophobicContact CG2-CG1 4.25Å
829	G	97.4	Very high	91.7	Very high	8 Å²	8	43.6 Å²	43.6	8%	0.082	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	126.8	179	0	0	0	0	0	112.2	Y787 L813 I881	Y787-G829 PolarHBondContact OH-O 3.47Å; L813-G829 WeakPolarHBondContact O-CA 3.42Å; G829-I881 PolarHBondContact O-N 3.46Å; G829-I881 VanDerWaalsContact O-N 3.12Å
830	I	98.3	Very high	91.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.2	177.9	-59.5	174.3	0	0	0	109.3	F783 V785 Y787 L813 F815 I828 M878	F783-I830 HydrophobicContact CZ-CD1 4.45Å; V785-I830 HydrophobicContact CG1-CD1 4.14Å; V785-I830 HydrophobicContact CG2-CD1 4.38Å; Y787-I830 HydrophobicContact CE1-CG1 4.18Å; Y787-I830 HydrophobicContact CE1-CG2 4.49Å; L813-I830 WeakPolarHBondContact CB-O 3.39Å; L813-I830 PolarHBondContact N-O 3.11Å; L813-I830 PolarHBondContact O-N 3.39Å; F815-I830 HydrophobicContact CD2-CD1 4.12Å; F815-I830 HydrophobicContact CE2-CB 4.43Å; F815-I830 HydrophobicContact CE2-CD1 4.01Å; I828-I830 HydrophobicContact CG2-CD1 4.33Å; I828-I830 HydrophobicContact CG2-CG1 4.25Å; I830-M878 HydrophobicContact CG2-CB 3.94Å; I830-M878 HydrophobicContact CG2-CG 3.92Å; I830-M878 HydrophobicContact CG2-SD 4.05Å
831	I	97.9	Very high	91.1	Very high	25 Å²	25	38.3 Å²	38.3	13%	0.128	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.7	164.2	-66.4	166.9	0	0	0	108.2	M804 P810 L811 W812 M878 I879 I881	M804-I831 HydrophobicContact CE-CD1 4.38Å; M804-I831 HydrophobicContact SD-CD1 3.93Å; M804-I831 HydrophobicContact SD-CG1 4.09Å; M804-I831 HydrophobicContact SD-CG2 4.32Å; P810-I831 HydrophobicContact CB-CG2 3.83Å; L811-I831 CarbonylContact O-C 3.53Å; L811-I831 VanDerWaalsContact O-CA 3.26Å; L811-I831 WeakPolarHBondContact O-CA 3.37Å; W812-I831 HydrophobicContact CE3-CD1 4.42Å; W812-I831 HydrophobicContact CE3-CG1 4.28Å; I831-M878 CarbonylContact O-C 3.58Å; I831-M878 WeakPolarHBondContact O-CA 3.34Å; I831-I879 HydrophobicContact CB-CB 4.16Å; I831-I879 PolarHBondContact N-O 3.16Å; I831-I879 PolarHBondContact O-N 2.98Å; I831-I881 HydrophobicContact CD1-CG1 4.01Å; I831-I881 HydrophobicContact CG1-CD1 3.94Å; I831-I881 HydrophobicContact CG1-CG1 3.67Å
832	F	97.6	Very high	90.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.8	170	-174.7	-92.1	0	0	0	109.5	I739 L742 Q743 T746 L811 L813 I876 M878	I739-F832 HydrophobicContact CG2-CE2 4.38Å; L742-F832 HydrophobicContact CB-CD1 4.16Å; L742-F832 HydrophobicContact CB-CD2 4.01Å; L742-F832 HydrophobicContact CB-CE1 4.05Å; L742-F832 HydrophobicContact CB-CE2 3.89Å; L742-F832 HydrophobicContact CB-CG 4.14Å; L742-F832 HydrophobicContact CB-CZ 3.91Å; L742-F832 HydrophobicContact CD1-CD2 3.94Å; L742-F832 HydrophobicContact CD1-CE2 4.41Å; L742-F832 HydrophobicContact CD1-CG 4.29Å; Q743-F832 HydrophobicContact CB-CZ 4.15Å; T746-F832 WeakPolarHBondContact OG1-CD1 3.5Å; T746-F832 WeakPolarHBondContact OG1-CE1 3.2Å; L811-F832 HydrophobicContact CB-CB 4.28Å; L811-F832 HydrophobicContact CD1-CD1 4.48Å; L811-F832 PolarHBondContact N-O 3.11Å; L811-F832 PolarHBondContact O-N 3.36Å; L813-F832 HydrophobicContact CD1-CB 4.1Å; F832-I876 HydrophobicContact CZ-CB 4.46Å; F832-M878 HydrophobicContact CD2-CE 3.99Å; F832-M878 HydrophobicContact CD2-CG 4.09Å; F832-M878 HydrophobicContact CE2-CE 4.38Å
833	K	94.6	Very high	90.7	Very high	24 Å²	24	34.8 Å²	34.8	10%	0.104	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.2	-175.8	-157.8	177.5	-169.2	-166.6	0	109.8	P810 D836 L838 I876 G877 I879	P810-K833 HydrophobicContact CB-CB 4.48Å; P810-K833 HydrophobicContact CB-CG 4.25Å; K833-D836 HydrophobicContact CD-CB 4.28Å; K833-D836 WeakPolarHBondContact CE-OD2 3.44Å; K833-D836 IonicContact NZ-OD2 2.77Å; K833-D836 PolarHBondContact NZ-OD2 3.36Å; K833-L838 HydrophobicContact CB-CD1 4.17Å; K833-L838 HydrophobicContact CD-CD1 4.47Å; K833-L838 HydrophobicContact CD-CD2 3.91Å; K833-L838 HydrophobicContact CD-CG 4.45Å; K833-I876 VanDerWaalsContact O-CA 3.31Å; K833-I876 WeakPolarHBondContact O-CA 3.33Å; K833-G877 PolarHBondContact N-O 2.87Å; K833-G877 PolarHBondContact O-N 3.21Å; K833-G877 VanDerWaalsContact O-N 3.09Å; K833-I879 HydrophobicContact CD-CD1 4.16Å
834	H	92.9	Very high	90.6	Very high	38 Å²	38	30.1 Å²	30.1	18%	0.176	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136	176.6	176.3	-82.2	0	0	0	110.2	T746 K750 K875 I876	T746-H834 HydrophobicContact CG2-CB 3.52Å; K750-H834 PolarHBondContact NZ-O 3.43Å; H834-K875 CarbonylContact C-O 3.56Å; H834-K875 WeakPolarHBondContact CA-O 3.29Å; H834-I876 HydrophobicContact CB-CG2 4.2Å; H834-I876 WeakPolarHBondContact CD2-CG2 3.24Å
835	G	87.9	Confident	91	Very high	20 Å²	20	28 Å²	28	21%	0.206	15%	0.148	C	C	.	.	S	Bend	trans	93.8	8.7	175.8	0	0	0	0	0	115.4	K808 K875	K808-G835 PolarHBondContact NZ-O 3.15Å; G835-K875 PolarHBondContact N-O 3.3Å
836	D	85.8	Confident	91.2	Very high	40 Å²	40	20.6 Å²	20.6	21%	0.214	11%	0.107	C	C	.	.	S	Bend	trans	-129.7	145	170.9	-71.5	-17.2	0	0	0	109.6	K808 K833 K875	K808-D836 WeakPolarHBondContact CD-OD1 3.21Å; K808-D836 WeakPolarHBondContact CE-OD1 3.35Å; K808-D836 WeakPolarHBondContact CG-OD2 3.13Å; K808-D836 IonicContact NZ-OD1 2.87Å; K808-D836 PolarHBondContact NZ-OD1 3.23Å; K833-D836 HydrophobicContact CD-CB 4.28Å; K833-D836 WeakPolarHBondContact CE-OD2 3.44Å; K833-D836 IonicContact NZ-OD2 2.77Å; K833-D836 PolarHBondContact NZ-OD2 3.36Å; D836-K875 CarbonylContact O-C 3.58Å; D836-K875 VanDerWaalsContact O-C 3.24Å; D836-K875 VanDerWaalsContact O-CA 3.28Å; D836-K875 WeakPolarHBondContact O-CA 3.46Å
837	D	85.3	Confident	91.4	Very high	47 Å²	47	15.7 Å²	15.7	25%	0.251	8%	0.084	S	C	.	.			trans	-82.6	115.2	173.9	-175.1	-11.2	0	0	0	109.6	R839	D837-R839 VanDerWaalsContact OD1-CB 3.32Å; D837-R839 WeakPolarHBondContact OD1-CB 3.35Å; D837-R839 VanDerWaalsContact OD1-CG 3.3Å; D837-R839 WeakPolarHBondContact OD1-CG 3.34Å; D837-R839 PolarHBondContact OD1-N 3.1Å; D837-R839 IonicContact OD1-NE 2.72Å; D837-R839 PolarHBondContact OD1-NE 2.95Å; D837-R839 IonicContact OD2-CZ 2.64Å; D837-R839 IonicContact OD2-NE 3.47Å; D837-R839 PolarHBondContact OD2-NE 3.47Å; D837-R839 VanDerWaalsContact OD2-NE 3.1Å; D837-R839 IonicContact OD2-NH2 3.66Å; D837-R839 PolarHBondContact OD2-NH2 3.25Å
838	L	89.8	Confident	91.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.			trans	-90.9	0.1	-177.7	-73.6	179.2	0	0	0	114.2	K833 Q840 D841 M842 I879	K833-L838 HydrophobicContact CB-CD1 4.17Å; K833-L838 HydrophobicContact CD-CD1 4.47Å; K833-L838 HydrophobicContact CD-CD2 3.91Å; K833-L838 HydrophobicContact CD-CG 4.45Å; L838-Q840 PolarHBondContact O-N 3.09Å; L838-D841 HydrophobicContact CD2-CB 4.36Å; L838-D841 PolarHBondContact O-N 3.15Å; L838-M842 VanDerWaalsContact O-CG 3.27Å; L838-M842 WeakPolarHBondContact O-CG 3.37Å; L838-M842 PolarHBondContact O-N 3.02Å; L838-I879 HydrophobicContact CD1-CD1 4.22Å; L838-I879 HydrophobicContact CD1-CG1 4.08Å; L838-I879 HydrophobicContact CD2-CD1 4Å
839	R	85.4	Confident	91.2	Very high	36 Å²	36	17.2 Å²	17.2	14%	0.136	9%	0.087	C	C	.	.	H	α-helix	trans	-61.6	-34.2	178.2	-67.3	-179.3	-63.5	179	-8.7	112.2	E702 D837 L843	E702-R839 VanDerWaalsContact OE1-CD 3.22Å; E702-R839 WeakPolarHBondContact OE1-CD 3.41Å; E702-R839 IonicContact OE1-CZ 3.35Å; E702-R839 IonicContact OE1-NH1 3.38Å; E702-R839 PolarHBondContact OE1-NH1 2.88Å; E702-R839 IonicContact OE2-NH1 3.85Å; E702-R839 PolarHBondContact OE2-NH1 2.83Å; D837-R839 VanDerWaalsContact OD1-CB 3.32Å; D837-R839 WeakPolarHBondContact OD1-CB 3.35Å; D837-R839 VanDerWaalsContact OD1-CG 3.3Å; D837-R839 WeakPolarHBondContact OD1-CG 3.34Å; D837-R839 PolarHBondContact OD1-N 3.1Å; D837-R839 IonicContact OD1-NE 2.72Å; D837-R839 PolarHBondContact OD1-NE 2.95Å; D837-R839 IonicContact OD2-CZ 2.64Å; D837-R839 IonicContact OD2-NE 3.47Å; D837-R839 PolarHBondContact OD2-NE 3.47Å; D837-R839 VanDerWaalsContact OD2-NE 3.1Å; D837-R839 IonicContact OD2-NH2 3.66Å; D837-R839 PolarHBondContact OD2-NH2 3.25Å; R839-L843 VanDerWaalsContact O-CB 3.25Å; R839-L843 WeakPolarHBondContact O-CB 2.98Å; R839-L843 PolarHBondContact O-N 3.32Å
840	Q	83.6	Confident	91	Very high	20 Å²	20	16.8 Å²	16.8	9%	0.093	8%	0.083	C	C	.	.	H	α-helix	trans	-63.4	-49.2	175.6	-177.5	173.4	-7.7	0	0	111.4	L838 L843 I844 F965 I968 M1039	L838-Q840 PolarHBondContact O-N 3.09Å; Q840-L843 WeakPolarHBondContact O-CB 3.48Å; Q840-L843 PolarHBondContact O-N 3.23Å; Q840-I844 WeakPolarHBondContact O-CG1 3.49Å; Q840-I844 PolarHBondContact O-N 3.18Å; Q840-F965 PolarHBondContact NE2-O 2.92Å; Q840-F965 VanDerWaalsContact NE2-O 3.16Å; Q840-I968 HydrophobicContact CG-CD1 4.19Å; Q840-M1039 HydrophobicContact CB-SD 4.45Å
841	D	88.3	Confident	90.9	Very high	10 Å²	10	16.8 Å²	16.8	5%	0.053	8%	0.083	C	C	.	.	H	α-helix	trans	-61.8	-45.5	176.5	-69	-100.8	0	0	0	112.1	L838 L843 I844 L845 F965	L838-D841 HydrophobicContact CD2-CB 4.36Å; L838-D841 PolarHBondContact O-N 3.15Å; D841-L843 PolarHBondContact O-N 3.16Å; D841-I844 PolarHBondContact O-N 3.13Å; D841-L845 WeakPolarHBondContact O-CB 2.98Å; D841-L845 WeakPolarHBondContact O-CD1 3.27Å; D841-L845 VanDerWaalsContact O-CG 3.31Å; D841-L845 WeakPolarHBondContact O-CG 3.14Å; D841-L845 PolarHBondContact O-N 2.8Å; D841-F965 PolarHBondContact OD1-N 3.35Å
842	M	90.3	Very high	90.7	Very high	8 Å²	8	17.3 Å²	17.3	4%	0.039	9%	0.085	C	C	.	.	H	α-helix	trans	-52.7	-42.2	175.7	-72.6	170.3	67.3	0	0	111.5	L661 F698 L838 Q846 C869 I870 S871	L661-M842 HydrophobicContact CD2-CB 4.46Å; F698-M842 HydrophobicContact CD1-CE 3.55Å; F698-M842 HydrophobicContact CE1-CE 3.41Å; F698-M842 VanDerWaalsContact CE1-CE 3.41Å; L838-M842 VanDerWaalsContact O-CG 3.27Å; L838-M842 WeakPolarHBondContact O-CG 3.37Å; L838-M842 PolarHBondContact O-N 3.02Å; M842-Q846 WeakPolarHBondContact O-CB 3.18Å; M842-Q846 PolarHBondContact O-N 3.3Å; M842-C869 WeakPolarHBondContact CG-O 3.33Å; M842-I870 HydrophobicContact CE-CG1 4.21Å; M842-S871 VanDerWaalsContact SD-CB 3.51Å; M842-S871 PolarHBondContact SD-N 3.35Å
843	L	86.1	Confident	90.4	Very high	6 Å²	6	18 Å²	18	3%	0.031	9%	0.089	C	C	.	.	H	α-helix	trans	-71.8	-44.7	-175.3	-170.9	62	0	0	0	112.6	L661 R839 Q840 D841 L845 Q846 I847 M1034 M1039	L661-L843 HydrophobicContact CD2-CB 4.3Å; L661-L843 HydrophobicContact CD2-CD1 3.59Å; L661-L843 HydrophobicContact CG-CD1 4.21Å; R839-L843 VanDerWaalsContact O-CB 3.25Å; R839-L843 WeakPolarHBondContact O-CB 2.98Å; R839-L843 PolarHBondContact O-N 3.32Å; Q840-L843 WeakPolarHBondContact O-CB 3.48Å; Q840-L843 PolarHBondContact O-N 3.23Å; D841-L843 PolarHBondContact O-N 3.16Å; L843-L845 VanDerWaalsContact C-N 3.32Å; L843-L845 PolarHBondContact O-N 2.91Å; L843-Q846 WeakPolarHBondContact O-CB 3.41Å; L843-Q846 PolarHBondContact O-N 2.88Å; L843-Q846 VanDerWaalsContact O-N 3.13Å; L843-I847 WeakPolarHBondContact O-CG1 3.49Å; L843-I847 PolarHBondContact O-N 3.15Å; L843-M1034 HydrophobicContact CD1-CE 3.99Å; L843-M1034 HydrophobicContact CD1-CG 3.69Å; L843-M1034 HydrophobicContact CD1-SD 3.36Å; L843-M1034 WeakPolarHBondContact CD1-SD 3.47Å; L843-M1034 HydrophobicContact CD2-CB 3.9Å; L843-M1034 HydrophobicContact CD2-CE 3.32Å; L843-M1034 HydrophobicContact CD2-CG 3.59Å; L843-M1034 HydrophobicContact CD2-SD 3.7Å; L843-M1034 HydrophobicContact CG-CE 3.37Å; L843-M1034 HydrophobicContact CG-CG 3.99Å; L843-M1034 HydrophobicContact CG-SD 3.51Å; L843-M1034 VanDerWaalsContact CG-SD 3.51Å; L843-M1039 HydrophobicContact CD2-CE 3.03Å; L843-M1039 HydrophobicContact CD2-SD 3.33Å; L843-M1039 WeakPolarHBondContact CD2-SD 3.1Å
844	I	88.7	Confident	90.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.7	-44.7	175.2	-64.6	-61.1	0	0	0	110.3	Q840 D841 Q846 I847 L848 L942 I944 F965 I968	Q840-I844 WeakPolarHBondContact O-CG1 3.49Å; Q840-I844 PolarHBondContact O-N 3.18Å; D841-I844 PolarHBondContact O-N 3.13Å; I844-Q846 PolarHBondContact O-N 3.37Å; I844-I847 PolarHBondContact O-N 3Å; I844-I847 VanDerWaalsContact O-N 3.15Å; I844-L848 HydrophobicContact CG2-CD1 4.35Å; I844-L848 HydrophobicContact CG2-CG 4.46Å; I844-L848 WeakPolarHBondContact O-CG 3.38Å; I844-L848 PolarHBondContact O-N 3.41Å; I844-L942 HydrophobicContact CG2-CD1 4.43Å; I844-I944 HydrophobicContact CG2-CD1 3.77Å; I844-F965 HydrophobicContact CB-CB 4.05Å; I844-F965 HydrophobicContact CB-CD1 4.49Å; I844-F965 HydrophobicContact CB-CD2 4.27Å; I844-F965 HydrophobicContact CB-CG 4.02Å; I844-F965 HydrophobicContact CG1-CB 4.04Å; I844-F965 HydrophobicContact CG2-CB 4.05Å; I844-F965 HydrophobicContact CG2-CD1 3.61Å; I844-F965 HydrophobicContact CG2-CD2 4.01Å; I844-F965 HydrophobicContact CG2-CE1 3.97Å; I844-F965 HydrophobicContact CG2-CE2 4.35Å; I844-F965 HydrophobicContact CG2-CG 3.61Å; I844-F965 HydrophobicContact CG2-CZ 4.32Å; I844-I968 HydrophobicContact CD1-CB 4.4Å; I844-I968 HydrophobicContact CD1-CD1 4.07Å; I844-I968 HydrophobicContact CD1-CG2 3.77Å; I844-I968 HydrophobicContact CG1-CG2 3.97Å
845	L	93.1	Very high	90.5	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-60.7	-35.8	174.7	-71	162.4	0	0	0	112.2	D841 L843 L848 R849 P866 Y867 C869 F965	D841-L845 WeakPolarHBondContact O-CB 2.98Å; D841-L845 WeakPolarHBondContact O-CD1 3.27Å; D841-L845 VanDerWaalsContact O-CG 3.31Å; D841-L845 WeakPolarHBondContact O-CG 3.14Å; D841-L845 PolarHBondContact O-N 2.8Å; L843-L845 VanDerWaalsContact C-N 3.32Å; L843-L845 PolarHBondContact O-N 2.91Å; L845-L848 HydrophobicContact CD2-CD1 4.45Å; L845-L848 PolarHBondContact O-N 3.39Å; L845-R849 WeakPolarHBondContact O-CG 2.9Å; L845-R849 PolarHBondContact O-N 2.78Å; L845-R849 VanDerWaalsContact O-N 3.12Å; L845-P866 HydrophobicContact CD2-CB 4.11Å; L845-Y867 HydrophobicContact CD1-CD2 4.06Å; L845-Y867 HydrophobicContact CD1-CE2 3.71Å; L845-Y867 HydrophobicContact CD2-CD1 4.05Å; L845-Y867 HydrophobicContact CD2-CD2 4.45Å; L845-Y867 HydrophobicContact CD2-CE1 3.94Å; L845-Y867 HydrophobicContact CD2-CE2 4.36Å; L845-Y867 HydrophobicContact CD2-CG 4.3Å; L845-C869 HydrophobicContact CD1-CB 3.26Å; L845-F965 HydrophobicContact CD2-CE2 3.87Å; L845-F965 HydrophobicContact CG-CD2 4.43Å; L845-F965 HydrophobicContact CG-CE2 3.98Å
846	Q	91.9	Very high	90.6	Very high	13 Å²	13	16.5 Å²	16.5	6%	0.061	8%	0.078	C	C	.	.	H	α-helix	trans	-66.8	-43.2	174.2	-166.7	62.5	23.2	0	0	112.3	L657 H658 L661 M842 L843 I844 L848 R849 I850	L657-Q846 PolarHBondContact O-NE2 3.48Å; H658-Q846 PolarHBondContact O-NE2 3.38Å; L661-Q846 HydrophobicContact CB-CG 4.44Å; L661-Q846 HydrophobicContact CD2-CB 4.27Å; M842-Q846 WeakPolarHBondContact O-CB 3.18Å; M842-Q846 PolarHBondContact O-N 3.3Å; L843-Q846 WeakPolarHBondContact O-CB 3.41Å; L843-Q846 PolarHBondContact O-N 2.88Å; L843-Q846 VanDerWaalsContact O-N 3.13Å; I844-Q846 PolarHBondContact O-N 3.37Å; Q846-L848 VanDerWaalsContact C-N 3.32Å; Q846-L848 PolarHBondContact O-N 2.85Å; Q846-R849 WeakPolarHBondContact O-CB 3.45Å; Q846-R849 PolarHBondContact O-N 3.42Å; Q846-I850 WeakPolarHBondContact O-CG1 3.17Å; Q846-I850 PolarHBondContact O-N 2.83Å
847	I	91.6	Very high	90.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.1	-38.9	175.5	-62.6	-58.9	0	0	0	111	L843 I844 R849 I850 M851 L942 L1030 F1031 M1034	L843-I847 WeakPolarHBondContact O-CG1 3.49Å; L843-I847 PolarHBondContact O-N 3.15Å; I844-I847 PolarHBondContact O-N 3Å; I844-I847 VanDerWaalsContact O-N 3.15Å; I847-R849 VanDerWaalsContact C-N 3.31Å; I847-R849 PolarHBondContact O-N 3.1Å; I847-I850 HydrophobicContact CD1-CD1 4.15Å; I847-I850 CarbonylContact O-C 3.47Å; I847-I850 WeakPolarHBondContact O-CB 3.33Å; I847-I850 PolarHBondContact O-N 3.04Å; I847-I850 VanDerWaalsContact O-N 3.1Å; I847-M851 HydrophobicContact CG2-CE 3.99Å; I847-M851 HydrophobicContact CG2-CG 4.31Å; I847-M851 HydrophobicContact CG2-SD 4.48Å; I847-M851 WeakPolarHBondContact O-CG 2.8Å; I847-M851 PolarHBondContact O-N 2.79Å; I847-L942 HydrophobicContact CG2-CD1 4.22Å; I847-L942 HydrophobicContact CG2-CD2 4.01Å; I847-L1030 HydrophobicContact CD1-CB 4Å; I847-L1030 HydrophobicContact CD1-CD1 4.05Å; I847-F1031 HydrophobicContact CB-CZ 4.27Å; I847-F1031 HydrophobicContact CD1-CE2 4.37Å; I847-F1031 HydrophobicContact CD1-CZ 4.32Å; I847-F1031 HydrophobicContact CG1-CE2 4.28Å; I847-F1031 HydrophobicContact CG1-CZ 3.79Å; I847-F1031 HydrophobicContact CG2-CE2 3.94Å; I847-F1031 HydrophobicContact CG2-CZ 3.82Å; I847-M1034 HydrophobicContact CD1-CE 4.39Å; I847-M1034 HydrophobicContact CD1-SD 3.79Å; I847-M1034 HydrophobicContact CG1-CE 4.04Å; I847-M1034 HydrophobicContact CG1-SD 4.03Å
848	L	94.5	Very high	90.7	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-59.3	-41.2	174.6	-68	175.7	0	0	0	111.6	I844 L845 Q846 I850 M851 E852 L864 P866 Y935 A938 L942 F965	I844-L848 HydrophobicContact CG2-CD1 4.35Å; I844-L848 HydrophobicContact CG2-CG 4.46Å; I844-L848 WeakPolarHBondContact O-CG 3.38Å; I844-L848 PolarHBondContact O-N 3.41Å; L845-L848 HydrophobicContact CD2-CD1 4.45Å; L845-L848 PolarHBondContact O-N 3.39Å; Q846-L848 VanDerWaalsContact C-N 3.32Å; Q846-L848 PolarHBondContact O-N 2.85Å; L848-I850 VanDerWaalsContact C-N 3.34Å; L848-I850 PolarHBondContact O-N 2.8Å; L848-M851 HydrophobicContact CD2-SD 4.45Å; L848-M851 PolarHBondContact O-N 3.32Å; L848-E852 PolarHBondContact O-N 3.22Å; L848-L864 HydrophobicContact CB-CD1 4.11Å; L848-L864 HydrophobicContact CD2-CD1 3.89Å; L848-P866 HydrophobicContact CB-CB 4.29Å; L848-Y935 HydrophobicContact CD1-CE1 4.09Å; L848-A938 HydrophobicContact CD2-CB 3.57Å; L848-L942 HydrophobicContact CD2-CD1 4.27Å; L848-F965 HydrophobicContact CD1-CE1 4.49Å; L848-F965 HydrophobicContact CD1-CZ 4.04Å
849	R	94.1	Very high	90.7	Very high	64 Å²	64	22.7 Å²	22.7	24%	0.242	12%	0.115	C	C	.	.	H	α-helix	trans	-62.5	-39	173	-68.6	176.7	-169.2	111.2	11.4	112.6	L845 Q846 I847 E852 S853 P866 Y867	L845-R849 WeakPolarHBondContact O-CG 2.9Å; L845-R849 PolarHBondContact O-N 2.78Å; L845-R849 VanDerWaalsContact O-N 3.12Å; Q846-R849 WeakPolarHBondContact O-CB 3.45Å; Q846-R849 PolarHBondContact O-N 3.42Å; I847-R849 VanDerWaalsContact C-N 3.31Å; I847-R849 PolarHBondContact O-N 3.1Å; R849-E852 PolarHBondContact O-N 3.17Å; R849-S853 PolarHBondContact O-N 3.07Å; R849-P866 HydrophobicContact CG-CB 3.72Å; R849-P866 HydrophobicContact CG-CG 3.53Å; R849-P866 PolarHBondContact NH2-O 3.17Å; R849-Y867 PolarHBondContact NH2-O 2.73Å; R849-Y867 VanDerWaalsContact NH2-O 3.1Å
850	I	93.6	Very high	91	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.3	-41.2	175.5	-65.6	168.1	0	0	0	110.6	H658 Y659 Q846 I847 L848 E852 S853 I854 L1026 L1030	H658-I850 WeakPolarHBondContact O-CD1 3.36Å; Y659-I850 HydrophobicContact CD1-CD1 3.89Å; Y659-I850 HydrophobicContact CE1-CD1 3.83Å; Y659-I850 HydrophobicContact CE1-CG1 4.14Å; Y659-I850 HydrophobicContact CE1-CG2 4.25Å; Q846-I850 WeakPolarHBondContact O-CG1 3.17Å; Q846-I850 PolarHBondContact O-N 2.83Å; I847-I850 HydrophobicContact CD1-CD1 4.15Å; I847-I850 CarbonylContact O-C 3.47Å; I847-I850 WeakPolarHBondContact O-CB 3.33Å; I847-I850 PolarHBondContact O-N 3.04Å; I847-I850 VanDerWaalsContact O-N 3.1Å; L848-I850 VanDerWaalsContact C-N 3.34Å; L848-I850 PolarHBondContact O-N 2.8Å; I850-E852 VanDerWaalsContact C-N 3.34Å; I850-E852 PolarHBondContact O-N 3.06Å; I850-S853 WeakPolarHBondContact O-CB 3.05Å; I850-S853 PolarHBondContact O-N 3.15Å; I850-I854 HydrophobicContact CG2-CD1 4.09Å; I850-I854 WeakPolarHBondContact O-CG1 3.4Å; I850-I854 PolarHBondContact O-N 2.92Å; I850-L1026 HydrophobicContact CG2-CD2 4.37Å; I850-L1030 HydrophobicContact CD1-CD1 3.73Å; I850-L1030 HydrophobicContact CD1-CD2 4.44Å; I850-L1030 HydrophobicContact CG2-CD1 4.13Å
851	M	95.7	Very high	91.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.1	-41.9	174.4	-69.5	-176.2	169.7	0	0	111.6	I847 L848 I854 W855 A938 V941 L942 L1020 L1027	I847-M851 HydrophobicContact CG2-CE 3.99Å; I847-M851 HydrophobicContact CG2-CG 4.31Å; I847-M851 HydrophobicContact CG2-SD 4.48Å; I847-M851 WeakPolarHBondContact O-CG 2.8Å; I847-M851 PolarHBondContact O-N 2.79Å; L848-M851 HydrophobicContact CD2-SD 4.45Å; L848-M851 PolarHBondContact O-N 3.32Å; M851-I854 PolarHBondContact O-N 3.23Å; M851-W855 HydrophobicContact CB-CE3 4.27Å; M851-W855 HydrophobicContact CB-CH2 3.94Å; M851-W855 HydrophobicContact CB-CZ2 4.27Å; M851-W855 HydrophobicContact CB-CZ3 3.93Å; M851-W855 PolarHBondContact O-N 2.66Å; M851-W855 HydrophobicContact SD-CH2 4.41Å; M851-A938 HydrophobicContact SD-CB 3.75Å; M851-V941 HydrophobicContact CE-CB 4.35Å; M851-V941 HydrophobicContact CE-CG1 4.01Å; M851-L942 HydrophobicContact CE-CD1 4.12Å; M851-L942 HydrophobicContact CE-CD2 3.57Å; M851-L942 HydrophobicContact CE-CG 3.75Å; M851-L942 HydrophobicContact SD-CD1 4.47Å; M851-L1020 HydrophobicContact CB-CD2 4.09Å; M851-L1020 HydrophobicContact CE-CD1 3.89Å; M851-L1020 HydrophobicContact CG-CD1 4.32Å; M851-L1020 HydrophobicContact CG-CD2 3.83Å; M851-L1020 HydrophobicContact SD-CD1 3.96Å; M851-L1027 HydrophobicContact CE-CD2 4.28Å
852	E	93.8	Very high	91.8	Very high	36 Å²	36	21.8 Å²	21.8	17%	0.168	11%	0.113	C	C	.	.	H	α-helix	trans	-60.3	-44	172.5	-72.7	-170.2	110.6	0	0	112.5	K298 L848 R849 I850 I854 W855 E856 L864 P866	K298-E852 IonicContact NZ-OE1 2.61Å; L848-E852 PolarHBondContact O-N 3.22Å; R849-E852 PolarHBondContact O-N 3.17Å; I850-E852 VanDerWaalsContact C-N 3.34Å; I850-E852 PolarHBondContact O-N 3.06Å; E852-I854 VanDerWaalsContact C-N 3.33Å; E852-I854 PolarHBondContact O-N 3.35Å; E852-W855 HydrophobicContact CG-CE3 4.46Å; E852-W855 PolarHBondContact O-N 3.15Å; E852-E856 WeakPolarHBondContact O-CB 3.36Å; E852-E856 PolarHBondContact O-N 2.93Å; E852-L864 HydrophobicContact CG-CB 3.83Å; E852-L864 HydrophobicContact CG-CD1 3.91Å; E852-L864 HydrophobicContact CG-CG 3.91Å; E852-L864 WeakPolarHBondContact OE1-CB 3.39Å; E852-L864 PolarHBondContact OE1-N 3.28Å; E852-P866 VanDerWaalsContact OE2-CD 3.32Å; E852-P866 WeakPolarHBondContact OE2-CD 3.3Å; E852-P866 WeakPolarHBondContact OE2-CG 3.49Å
853	S	91.8	Very high	92	Very high	13 Å²	13	22.3 Å²	22.3	9%	0.091	12%	0.117	C	C	.	.	H	α-helix	trans	-61.9	-40.2	176.3	-177.1	0	0	0	0	111.8	R849 I850 E856 T857	R849-S853 PolarHBondContact O-N 3.07Å; I850-S853 WeakPolarHBondContact O-CB 3.05Å; I850-S853 PolarHBondContact O-N 3.15Å; S853-E856 WeakPolarHBondContact O-CB 3.19Å; S853-E856 PolarHBondContact O-N 3.14Å; S853-T857 WeakPolarHBondContact O-CG2 3.47Å; S853-T857 PolarHBondContact O-N 2.9Å; S853-T857 VanDerWaalsContact O-N 3.1Å
854	I	93.5	Very high	92.4	Very high	6 Å²	6	22.5 Å²	22.5	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-61.9	-50	173.1	-68.9	163.8	0	0	0	110.5	I850 M851 E852 E856 T857 E858 L1020 H1023 L1026 L1027	I850-I854 HydrophobicContact CG2-CD1 4.09Å; I850-I854 WeakPolarHBondContact O-CG1 3.4Å; I850-I854 PolarHBondContact O-N 2.92Å; M851-I854 PolarHBondContact O-N 3.23Å; E852-I854 VanDerWaalsContact C-N 3.33Å; E852-I854 PolarHBondContact O-N 3.35Å; I854-E856 VanDerWaalsContact C-N 3.27Å; I854-E856 PolarHBondContact O-N 2.93Å; I854-T857 PolarHBondContact O-N 3.37Å; I854-T857 VanDerWaalsContact O-N 3.12Å; I854-T857 PolarHBondContact O-OG1 3.05Å; I854-E858 PolarHBondContact O-N 3.07Å; I854-L1020 HydrophobicContact CB-CD2 4.44Å; I854-L1020 HydrophobicContact CD1-CD2 4.21Å; I854-L1020 HydrophobicContact CG2-CD2 4.18Å; I854-H1023 HydrophobicContact CD1-CB 3.87Å; I854-H1023 HydrophobicContact CG1-CB 4.35Å; I854-H1023 HydrophobicContact CG2-CB 4.34Å; I854-H1023 VanDerWaalsContact CG2-CD2 3.44Å; I854-H1023 WeakPolarHBondContact CG2-CD2 3.42Å; I854-L1026 HydrophobicContact CD1-CD2 4.32Å; I854-L1027 HydrophobicContact CD1-CD2 4.46Å
855	W	95.2	Very high	92.6	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-63.3	-33.4	178.4	-66	-37.9	0	0	0	112.7	M851 E852 T857 E858 C859 L860 L862 L864 V937 A938 A1016 L1020	M851-W855 HydrophobicContact CB-CE3 4.27Å; M851-W855 HydrophobicContact CB-CH2 3.94Å; M851-W855 HydrophobicContact CB-CZ2 4.27Å; M851-W855 HydrophobicContact CB-CZ3 3.93Å; M851-W855 PolarHBondContact O-N 2.66Å; M851-W855 HydrophobicContact SD-CH2 4.41Å; E852-W855 HydrophobicContact CG-CE3 4.46Å; E852-W855 PolarHBondContact O-N 3.15Å; W855-T857 VanDerWaalsContact C-N 3.35Å; W855-T857 PolarHBondContact O-N 3.45Å; W855-E858 CarbonylContact O-C 3.47Å; W855-E858 WeakPolarHBondContact O-CA 3.3Å; W855-E858 PolarHBondContact O-N 3.41Å; W855-E858 VanDerWaalsContact O-N 3.12Å; W855-C859 PolarHBondContact O-N 2.85Å; W855-C859 VanDerWaalsContact O-N 3.11Å; W855-L860 CarbonylContact C-O 3.5Å; W855-L860 HydrophobicContact CB-CB 3.95Å; W855-L860 WeakPolarHBondContact CB-O 3.19Å; W855-L860 WeakPolarHBondContact O-CB 3.34Å; W855-L860 PolarHBondContact O-N 3.14Å; W855-L862 HydrophobicContact CD2-CD1 3.33Å; W855-L862 HydrophobicContact CD2-CG 3.96Å; W855-L862 VanDerWaalsContact CE2-CD1 3.41Å; W855-L862 HydrophobicContact CE3-CB 3.96Å; W855-L862 HydrophobicContact CE3-CD1 3.43Å; W855-L862 VanDerWaalsContact CE3-CD1 3.43Å; W855-L862 HydrophobicContact CE3-CG 3.85Å; W855-L862 HydrophobicContact CG-CD1 3.95Å; W855-L862 HydrophobicContact CG-CG 4.3Å; W855-L862 HydrophobicContact CH2-CD1 3.7Å; W855-L862 HydrophobicContact CZ2-CD1 3.6Å; W855-L862 HydrophobicContact CZ3-CB 4.12Å; W855-L862 HydrophobicContact CZ3-CD1 3.61Å; W855-L862 HydrophobicContact CZ3-CG 4.29Å; W855-L864 HydrophobicContact CH2-CD1 4.15Å; W855-L864 HydrophobicContact CZ3-CD1 3.52Å; W855-L864 HydrophobicContact CZ3-CD2 4.29Å; W855-L864 HydrophobicContact CZ3-CG 3.81Å; W855-V937 HydrophobicContact CZ2-CG1 4.12Å; W855-A938 HydrophobicContact CH2-CB 4.38Å; W855-A1016 HydrophobicContact CZ2-CB 4.24Å; W855-A1016 PolarHBondContact NE1-O 3.02Å; W855-L1020 HydrophobicContact CZ2-CD1 3.81Å; W855-L1020 HydrophobicContact CZ2-CD2 4.16Å; W855-L1020 HydrophobicContact CZ2-CG 4.02Å
856	E	91.3	Very high	92.7	Very high	45 Å²	45	25.4 Å²	25.4	21%	0.21	14%	0.135	C	C	.	.	H	α-helix	trans	-61.2	-42.6	172.9	-177.9	172.8	-170.3	0	0	111.4	P208 E852 S853 I854 E858 C859	P208-E856 HydrophobicContact CB-CG 4.39Å; P208-E856 HydrophobicContact CG-CG 3.45Å; P208-E856 VanDerWaalsContact CG-CG 3.45Å; P208-E856 VanDerWaalsContact CG-OE1 3.22Å; P208-E856 WeakPolarHBondContact CG-OE1 3.08Å; E852-E856 WeakPolarHBondContact O-CB 3.36Å; E852-E856 PolarHBondContact O-N 2.93Å; S853-E856 WeakPolarHBondContact O-CB 3.19Å; S853-E856 PolarHBondContact O-N 3.14Å; I854-E856 VanDerWaalsContact C-N 3.27Å; I854-E856 PolarHBondContact O-N 2.93Å; E856-E858 PolarHBondContact O-N 2.95Å; E856-C859 PolarHBondContact O-N 3.13Å
857	T	87.8	Confident	92.9	Very high	84 Å²	84	25.2 Å²	25.2	52%	0.515	13%	0.134	S	C	.	.	H	α-helix	trans	-62.3	-29.1	175	62	0	0	0	0	112.9	S853 I854 W855 C859	S853-T857 WeakPolarHBondContact O-CG2 3.47Å; S853-T857 PolarHBondContact O-N 2.9Å; S853-T857 VanDerWaalsContact O-N 3.1Å; I854-T857 PolarHBondContact O-N 3.37Å; I854-T857 VanDerWaalsContact O-N 3.12Å; I854-T857 PolarHBondContact O-OG1 3.05Å; W855-T857 VanDerWaalsContact C-N 3.35Å; W855-T857 PolarHBondContact O-N 3.45Å; T857-C859 VanDerWaalsContact C-N 3.33Å
858	E	85.8	Confident	93.1	Very high	81 Å²	81	25.5 Å²	25.5	38%	0.379	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	14.1	175.5	-63.8	-63.7	158.5	0	0	113.3	I854 W855 E856 L860 A1019	I854-E858 PolarHBondContact O-N 3.07Å; W855-E858 CarbonylContact O-C 3.47Å; W855-E858 WeakPolarHBondContact O-CA 3.3Å; W855-E858 PolarHBondContact O-N 3.41Å; W855-E858 VanDerWaalsContact O-N 3.12Å; E856-E858 PolarHBondContact O-N 2.95Å; E858-L860 VanDerWaalsContact C-N 3.32Å; E858-L860 HydrophobicContact CB-CD1 4.49Å; E858-L860 PolarHBondContact O-N 3.49Å; E858-A1019 HydrophobicContact CB-CB 4.21Å; E858-A1019 HydrophobicContact CG-CB 3.86Å
859	C	88.7	Confident	93.2	Very high	51 Å²	51	26 Å²	26	35%	0.345	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	39.5	179.4	-64.9	0	0	0	0	114.3	D209 W855 E856 T857	D209-C859 HydrophobicContact CB-CB 4.39Å; W855-C859 PolarHBondContact O-N 2.85Å; W855-C859 VanDerWaalsContact O-N 3.11Å; E856-C859 PolarHBondContact O-N 3.13Å; T857-C859 VanDerWaalsContact C-N 3.33Å
860	L	92.1	Very high	93.4	Very high	12 Å²	12	23 Å²	23	6%	0.063	13%	0.129	C	C	.	.			trans	-117.7	122.7	178.1	-73.8	171.1	0	0	0	110.9	W855 E858 R1015	W855-L860 CarbonylContact C-O 3.5Å; W855-L860 HydrophobicContact CB-CB 3.95Å; W855-L860 WeakPolarHBondContact CB-O 3.19Å; W855-L860 WeakPolarHBondContact O-CB 3.34Å; W855-L860 PolarHBondContact O-N 3.14Å; E858-L860 VanDerWaalsContact C-N 3.32Å; E858-L860 HydrophobicContact CB-CD1 4.49Å; E858-L860 PolarHBondContact O-N 3.49Å; L860-R1015 HydrophobicContact CD1-CB 3.97Å; L860-R1015 HydrophobicContact CD2-CB 4.44Å; L860-R1015 VanDerWaalsContact CD2-CZ 3.42Å; L860-R1015 VanDerWaalsContact CD2-NH2 3.34Å
861	D	92.9	Very high	93.5	Very high	33 Å²	33	23 Å²	23	18%	0.176	13%	0.129	C	C	.	.			trans	-103.1	101.4	169.1	-174.8	7.3	0	0	0	109.9	Y210 K298 C863 Y930	Y210-D861 HydrophobicContact CD1-CB 4.22Å; Y210-D861 HydrophobicContact CD2-CB 3.89Å; Y210-D861 HydrophobicContact CE1-CB 4.14Å; Y210-D861 HydrophobicContact CE2-CB 3.81Å; Y210-D861 HydrophobicContact CG-CB 4.11Å; K298-D861 VanDerWaalsContact CE-CG 3.41Å; K298-D861 WeakPolarHBondContact CE-OD1 3.32Å; K298-D861 WeakPolarHBondContact CE-OD2 3.21Å; K298-D861 IonicContact NZ-OD1 3.76Å; K298-D861 PolarHBondContact NZ-OD1 3.26Å; K298-D861 IonicContact NZ-OD2 3.75Å; D861-C863 VanDerWaalsContact C-N 3.31Å; D861-C863 PolarHBondContact OD1-N 2.94Å; D861-Y930 VanDerWaalsContact O-CD1 3.31Å; D861-Y930 WeakPolarHBondContact O-CD1 3.38Å
862	L	95.3	Very high	93.5	Very high	3 Å²	3	23 Å²	23	2%	0.016	13%	0.129	C	C	.	.			trans	-91.2	8.1	178	-56.1	-168.9	0	0	0	113.3	W855 L864 Y930 S931 V1012 A1016	W855-L862 HydrophobicContact CD2-CD1 3.33Å; W855-L862 HydrophobicContact CD2-CG 3.96Å; W855-L862 VanDerWaalsContact CE2-CD1 3.41Å; W855-L862 HydrophobicContact CE3-CB 3.96Å; W855-L862 HydrophobicContact CE3-CD1 3.43Å; W855-L862 VanDerWaalsContact CE3-CD1 3.43Å; W855-L862 HydrophobicContact CE3-CG 3.85Å; W855-L862 HydrophobicContact CG-CD1 3.95Å; W855-L862 HydrophobicContact CG-CG 4.3Å; W855-L862 HydrophobicContact CH2-CD1 3.7Å; W855-L862 HydrophobicContact CZ2-CD1 3.6Å; W855-L862 HydrophobicContact CZ3-CB 4.12Å; W855-L862 HydrophobicContact CZ3-CD1 3.61Å; W855-L862 HydrophobicContact CZ3-CG 4.29Å; L862-L864 PolarHBondContact O-N 2.86Å; L862-L864 VanDerWaalsContact O-N 3.11Å; L862-Y930 HydrophobicContact CD2-CD1 4.26Å; L862-Y930 CarbonylContact O-C 3.49Å; L862-S931 VanDerWaalsContact O-CA 3.26Å; L862-S931 WeakPolarHBondContact O-CA 3.37Å; L862-S931 PolarHBondContact O-N 3.05Å; L862-V1012 HydrophobicContact CD2-CG1 3.39Å; L862-A1016 HydrophobicContact CD1-CB 3.3Å; L862-A1016 HydrophobicContact CD2-CB 4.45Å; L862-A1016 HydrophobicContact CG-CB 4.47Å
863	C	93.8	Very high	93.4	Very high	18 Å²	18	21.5 Å²	21.5	12%	0.122	12%	0.123	C	C	.	.			trans	53.4	33.8	172.6	-62.4	0	0	0	0	114.4	D861 R927 N959	D861-C863 VanDerWaalsContact C-N 3.31Å; D861-C863 PolarHBondContact OD1-N 2.94Å; C863-R927 HydrophobicContact CB-CG 4.45Å; C863-N959 PolarHBondContact O-ND2 3.24Å; C863-N959 PolarHBondContact O-OD1 2.7Å
864	L	94.8	Very high	93.4	Very high	10 Å²	10	25 Å²	25	5%	0.052	14%	0.14	C	C	.	.			trans	-63.9	160.4	175.4	-58.1	-167.1	0	0	0	110.5	L848 E852 W855 L862 P866 Y935	L848-L864 HydrophobicContact CB-CD1 4.11Å; L848-L864 HydrophobicContact CD2-CD1 3.89Å; E852-L864 HydrophobicContact CG-CB 3.83Å; E852-L864 HydrophobicContact CG-CD1 3.91Å; E852-L864 HydrophobicContact CG-CG 3.91Å; E852-L864 WeakPolarHBondContact OE1-CB 3.39Å; E852-L864 PolarHBondContact OE1-N 3.28Å; W855-L864 HydrophobicContact CH2-CD1 4.15Å; W855-L864 HydrophobicContact CZ3-CD1 3.52Å; W855-L864 HydrophobicContact CZ3-CD2 4.29Å; W855-L864 HydrophobicContact CZ3-CG 3.81Å; L862-L864 PolarHBondContact O-N 2.86Å; L862-L864 VanDerWaalsContact O-N 3.11Å; L864-P866 VanDerWaalsContact C-CD 3.5Å; L864-Y935 HydrophobicContact CB-CE2 4.22Å; L864-Y935 HydrophobicContact CD2-CD1 4.49Å; L864-Y935 HydrophobicContact CD2-CD2 3.57Å; L864-Y935 HydrophobicContact CD2-CE2 3.59Å; L864-Y935 HydrophobicContact CD2-CG 4.03Å; L864-Y935 HydrophobicContact CG-CE2 4.49Å
865	L	94.1	Very high	93.3	Very high	37 Å²	37	30 Å²	30	19%	0.194	16%	0.162	C	C	.	.			trans	-128.6	75.1	177.9	-156.8	163.1	0	0	0	109.7	Y867 V882 Y935 F961	L865-Y867 VanDerWaalsContact C-N 3.26Å; L865-Y867 PolarHBondContact O-N 3.11Å; L865-V882 HydrophobicContact CD1-CG1 3.87Å; L865-V882 HydrophobicContact CD2-CG1 4.29Å; L865-V882 HydrophobicContact CD2-CG2 3.62Å; L865-Y935 PolarHBondContact N-OH 2.76Å; L865-Y935 PolarHBondContact O-OH 3.45Å; L865-Y935 VanDerWaalsContact O-OH 3.14Å; L865-F961 HydrophobicContact CB-CB 3.9Å; L865-F961 HydrophobicContact CB-CG 4.22Å; L865-F961 HydrophobicContact CD1-CD1 4.07Å; L865-F961 HydrophobicContact CD1-CE1 4.35Å; L865-F961 HydrophobicContact CD1-CG 4.45Å
866	P	94.9	Very high	93.3	Very high	25 Å²	25	30.1 Å²	30.1	16%	0.162	16%	0.163	C	C	.	.			trans	-75.6	81.1	173.6	31.9	-34.7	0	0	0	110.3	L845 L848 R849 E852 L864	L845-P866 HydrophobicContact CD2-CB 4.11Å; L848-P866 HydrophobicContact CB-CB 4.29Å; R849-P866 HydrophobicContact CG-CB 3.72Å; R849-P866 HydrophobicContact CG-CG 3.53Å; R849-P866 PolarHBondContact NH2-O 3.17Å; E852-P866 VanDerWaalsContact OE2-CD 3.32Å; E852-P866 WeakPolarHBondContact OE2-CD 3.3Å; E852-P866 WeakPolarHBondContact OE2-CG 3.49Å; L864-P866 VanDerWaalsContact C-CD 3.5Å
867	Y	96.1	Very high	93.6	Very high	10 Å²	10	28 Å²	28	4%	0.039	15%	0.153	C	C	.	.			trans	-55.8	156.9	179.3	58.6	-94.5	0	0	0	112.8	L845 R849 L865 C869 I879 F961 I963 D964 F965	L845-Y867 HydrophobicContact CD1-CD2 4.06Å; L845-Y867 HydrophobicContact CD1-CE2 3.71Å; L845-Y867 HydrophobicContact CD2-CD1 4.05Å; L845-Y867 HydrophobicContact CD2-CD2 4.45Å; L845-Y867 HydrophobicContact CD2-CE1 3.94Å; L845-Y867 HydrophobicContact CD2-CE2 4.36Å; L845-Y867 HydrophobicContact CD2-CG 4.3Å; R849-Y867 PolarHBondContact NH2-O 2.73Å; R849-Y867 VanDerWaalsContact NH2-O 3.1Å; L865-Y867 VanDerWaalsContact C-N 3.26Å; L865-Y867 PolarHBondContact O-N 3.11Å; Y867-C869 HydrophobicContact CE2-CB 4.43Å; Y867-C869 PolarHBondContact O-N 2.8Å; Y867-I879 HydrophobicContact CD2-CG2 3.76Å; Y867-I879 HydrophobicContact CE2-CG2 3.57Å; Y867-F961 HydrophobicContact CD1-CD2 4.43Å; Y867-I963 HydrophobicContact CD1-CG2 4.49Å; Y867-I963 HydrophobicContact CE1-CB 4.36Å; Y867-I963 HydrophobicContact CE1-CG2 3.72Å; Y867-I963 WeakPolarHBondContact OH-CA 3.45Å; Y867-D964 PolarHBondContact OH-N 2.66Å; Y867-F965 HydrophobicContact CE1-CE2 4.2Å; Y867-F965 WeakPolarHBondContact OH-CE2 3.45Å
868	G	96.4	Very high	94.1	Very high	6 Å²	6	24 Å²	24	6%	0.062	13%	0.128	C	C	.	.			trans	-62.3	125.6	177.4	0	0	0	0	0	111.5	I879 Q880	G868-I879 CarbonylContact O-C 3.32Å; G868-I879 WeakPolarHBondContact O-CA 3.29Å; G868-Q880 WeakPolarHBondContact O-CB 3.21Å; G868-Q880 PolarHBondContact O-N 2.67Å
869	C	96.8	Very high	94.6	Very high	11 Å²	11	21.1 Å²	21.1	7%	0.074	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	129.7	172.9	-178.2	0	0	0	0	107.5	M842 L845 Y867 M878	M842-C869 WeakPolarHBondContact CG-O 3.33Å; L845-C869 HydrophobicContact CD1-CB 3.26Å; Y867-C869 HydrophobicContact CE2-CB 4.43Å; Y867-C869 PolarHBondContact O-N 2.8Å; C869-M878 WeakPolarHBondContact CA-O 3.39Å
870	I	96.8	Very high	95.1	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	129.1	180	-160.3	164.7	0	0	0	110.8	F694 W697 P786 M842 T872 G877 M878	F694-I870 HydrophobicContact CD1-CD1 4.13Å; F694-I870 HydrophobicContact CE1-CD1 4.3Å; W697-I870 HydrophobicContact CB-CD1 3.44Å; W697-I870 VanDerWaalsContact CB-CD1 3.44Å; W697-I870 HydrophobicContact CB-CG1 4.04Å; W697-I870 HydrophobicContact CG-CD1 3.62Å; W697-I870 HydrophobicContact CG-CG1 4.42Å; P786-I870 HydrophobicContact CB-CG2 3.78Å; P786-I870 VanDerWaalsContact O-CD1 3.31Å; P786-I870 WeakPolarHBondContact O-CD1 3.5Å; M842-I870 HydrophobicContact CE-CG1 4.21Å; I870-T872 HydrophobicContact CG2-CG2 4.07Å; I870-G877 CarbonylContact O-C 3.59Å; I870-G877 WeakPolarHBondContact O-CA 3.4Å; I870-M878 HydrophobicContact CG2-CB 4.28Å; I870-M878 PolarHBondContact N-O 3.46Å; I870-M878 PolarHBondContact O-N 2.72Å
871	S	95.3	Very high	95.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	132	168.7	-176.5	0	0	0	0	108.2	Q705 M842 G873 I876	Q705-S871 PolarHBondContact NE2-OG 3.38Å; M842-S871 VanDerWaalsContact SD-CB 3.51Å; M842-S871 PolarHBondContact SD-N 3.35Å; S871-G873 PolarHBondContact OG-O 2.89Å; S871-I876 PolarHBondContact OG-O 3.28Å
872	T	96.1	Very high	95.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-1.3	-174.8	58	0	0	0	0	112.9	W697 R700 I739 I870 I876 G877	W697-T872 HydrophobicContact CE3-CG2 4.01Å; W697-T872 HydrophobicContact CZ3-CG2 3.95Å; R700-T872 PolarHBondContact NH1-O 3.32Å; I739-T872 HydrophobicContact CD1-CG2 3.77Å; I739-T872 HydrophobicContact CG1-CG2 4.41Å; I870-T872 HydrophobicContact CG2-CG2 4.07Å; T872-I876 PolarHBondContact N-O 2.99Å; T872-G877 WeakPolarHBondContact OG1-CA 3.42Å
873	G	92.6	Very high	95.2	Very high	3 Å²	3	26.2 Å²	26.2	3%	0.031	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	-166.2	-177	0	0	0	0	0	111.9	Q705 S871 K875 I876	Q705-G873 PolarHBondContact NE2-O 2.85Å; S871-G873 PolarHBondContact OG-O 2.89Å; G873-K875 PolarHBondContact O-N 3.19Å; G873-K875 VanDerWaalsContact O-N 3.08Å; G873-I876 PolarHBondContact O-N 3.4Å
874	D	91.6	Very high	95.1	Very high	87 Å²	87	30.4 Å²	30.4	47%	0.465	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	111.1	-177	-175.4	22.3	0	0	0	112.7	A704 Q705 I876	A704-D874 HydrophobicContact CB-CB 4.32Å; Q705-D874 HydrophobicContact CG-CB 4.28Å; D874-I876 PolarHBondContact O-N 3.37Å
875	K	91.6	Very high	95.1	Very high	111 Å²	111	30.9 Å²	30.9	48%	0.483	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	31.6	-178.4	-64.4	171.1	-174	172.4	0	114	H834 G835 D836 G873	H834-K875 CarbonylContact C-O 3.56Å; H834-K875 WeakPolarHBondContact CA-O 3.29Å; G835-K875 PolarHBondContact N-O 3.3Å; D836-K875 CarbonylContact O-C 3.58Å; D836-K875 VanDerWaalsContact O-C 3.24Å; D836-K875 VanDerWaalsContact O-CA 3.28Å; D836-K875 WeakPolarHBondContact O-CA 3.46Å; G873-K875 PolarHBondContact O-N 3.19Å; G873-K875 VanDerWaalsContact O-N 3.08Å
876	I	95.1	Very high	95.1	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.3	175.3	59.2	170.5	0	0	0	111.1	I739 Q743 F832 K833 H834 S871 T872 G873 D874	I739-I876 HydrophobicContact CG2-CD1 3.78Å; Q743-I876 HydrophobicContact CG-CG2 4.4Å; F832-I876 HydrophobicContact CZ-CB 4.46Å; K833-I876 VanDerWaalsContact O-CA 3.31Å; K833-I876 WeakPolarHBondContact O-CA 3.33Å; H834-I876 HydrophobicContact CB-CG2 4.2Å; H834-I876 WeakPolarHBondContact CD2-CG2 3.24Å; S871-I876 PolarHBondContact OG-O 3.28Å; T872-I876 PolarHBondContact N-O 2.99Å; G873-I876 PolarHBondContact O-N 3.4Å; D874-I876 PolarHBondContact O-N 3.37Å
877	G	96.8	Very high	95	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	-178.9	171.2	0	0	0	0	0	114.1	K833 I870 T872	K833-G877 PolarHBondContact N-O 2.87Å; K833-G877 PolarHBondContact O-N 3.21Å; K833-G877 VanDerWaalsContact O-N 3.09Å; I870-G877 CarbonylContact O-C 3.59Å; I870-G877 WeakPolarHBondContact O-CA 3.4Å; T872-G877 WeakPolarHBondContact OG1-CA 3.42Å
878	M	98.1	Very high	94.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	136.8	-175.5	-69.4	-176.2	174.4	0	0	110.9	I739 L742 P786 Y787 I830 I831 F832 C869 I870	I739-M878 HydrophobicContact CG1-CE 3.72Å; L742-M878 HydrophobicContact CD1-CE 3.99Å; P786-M878 HydrophobicContact CB-SD 4.48Å; P786-M878 HydrophobicContact CG-SD 3.73Å; Y787-M878 HydrophobicContact CD1-CB 4.24Å; Y787-M878 HydrophobicContact CE1-CB 4.47Å; I830-M878 HydrophobicContact CG2-CB 3.94Å; I830-M878 HydrophobicContact CG2-CG 3.92Å; I830-M878 HydrophobicContact CG2-SD 4.05Å; I831-M878 CarbonylContact O-C 3.58Å; I831-M878 WeakPolarHBondContact O-CA 3.34Å; F832-M878 HydrophobicContact CD2-CE 3.99Å; F832-M878 HydrophobicContact CD2-CG 4.09Å; F832-M878 HydrophobicContact CE2-CE 4.38Å; C869-M878 WeakPolarHBondContact CA-O 3.39Å; I870-M878 HydrophobicContact CG2-CB 4.28Å; I870-M878 PolarHBondContact N-O 3.46Å; I870-M878 PolarHBondContact O-N 2.72Å
879	I	97.6	Very high	94.5	Very high	20 Å²	20	29.9 Å²	29.9	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.3	177.7	-55.7	169.1	0	0	0	108.5	I831 K833 L838 Y867 G868	I831-I879 HydrophobicContact CB-CB 4.16Å; I831-I879 PolarHBondContact N-O 3.16Å; I831-I879 PolarHBondContact O-N 2.98Å; K833-I879 HydrophobicContact CD-CD1 4.16Å; L838-I879 HydrophobicContact CD1-CD1 4.22Å; L838-I879 HydrophobicContact CD1-CG1 4.08Å; L838-I879 HydrophobicContact CD2-CD1 4Å; Y867-I879 HydrophobicContact CD2-CG2 3.76Å; Y867-I879 HydrophobicContact CE2-CG2 3.57Å; G868-I879 CarbonylContact O-C 3.32Å; G868-I879 WeakPolarHBondContact O-CA 3.29Å
880	Q	97.8	Very high	94.1	Very high	71 Å²	71	34.4 Å²	34.4	33%	0.332	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	135.4	175.5	-177.9	-176.9	14.7	0	0	110.4	Y787 G868	Y787-Q880 HydrophobicContact CD2-CB 4.32Å; Y787-Q880 HydrophobicContact CE1-CB 4.16Å; Y787-Q880 HydrophobicContact CE2-CB 3.74Å; Y787-Q880 HydrophobicContact CE2-CG 3.94Å; G868-Q880 WeakPolarHBondContact O-CB 3.21Å; G868-Q880 PolarHBondContact O-N 2.67Å
881	I	96.2	Very high	93.9	Very high	21 Å²	21	34.4 Å²	34.4	11%	0.108	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-85.5	119.7	167.1	-64.8	170	0	0	0	108.3	W812 G829 I831	W812-I881 HydrophobicContact CD2-CD1 3.43Å; W812-I881 VanDerWaalsContact CD2-CD1 3.43Å; W812-I881 HydrophobicContact CD2-CG1 4.49Å; W812-I881 VanDerWaalsContact CE2-CD1 3.41Å; W812-I881 HydrophobicContact CE3-CD1 3.71Å; W812-I881 HydrophobicContact CE3-CG1 4.32Å; W812-I881 HydrophobicContact CG-CD1 3.98Å; W812-I881 HydrophobicContact CH2-CD1 3.93Å; W812-I881 HydrophobicContact CH2-CG1 4.24Å; W812-I881 HydrophobicContact CH2-CG2 3.5Å; W812-I881 VanDerWaalsContact CH2-CG2 3.5Å; W812-I881 HydrophobicContact CZ2-CD1 3.68Å; W812-I881 HydrophobicContact CZ2-CG1 4.41Å; W812-I881 HydrophobicContact CZ2-CG2 3.73Å; W812-I881 HydrophobicContact CZ3-CD1 3.94Å; W812-I881 HydrophobicContact CZ3-CG1 4.19Å; W812-I881 HydrophobicContact CZ3-CG2 4.19Å; G829-I881 PolarHBondContact O-N 3.46Å; G829-I881 VanDerWaalsContact O-N 3.12Å; I831-I881 HydrophobicContact CD1-CG1 4.01Å; I831-I881 HydrophobicContact CG1-CD1 3.94Å; I831-I881 HydrophobicContact CG1-CG1 3.67Å
882	V	94.9	Very high	93.6	Very high	29 Å²	29	34.4 Å²	34.4	18%	0.176	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-76.7	122.1	170	-174.9	0	0	0	0	108.1	L865 A885 F961	L865-V882 HydrophobicContact CD1-CG1 3.87Å; L865-V882 HydrophobicContact CD2-CG1 4.29Å; L865-V882 HydrophobicContact CD2-CG2 3.62Å; V882-A885 HydrophobicContact CB-CB 4.32Å; V882-A885 HydrophobicContact CG1-CB 4.03Å; V882-F961 HydrophobicContact CB-CE1 4.47Å; V882-F961 HydrophobicContact CB-CE2 4.21Å; V882-F961 HydrophobicContact CB-CZ 3.74Å; V882-F961 HydrophobicContact CG1-CE1 4.01Å; V882-F961 HydrophobicContact CG1-CZ 3.78Å; V882-F961 HydrophobicContact CG2-CE2 3.87Å; V882-F961 HydrophobicContact CG2-CZ 3.91Å
883	K	91.2	Very high	93.1	Very high	85 Å²	85	37.8 Å²	37.8	37%	0.37	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	156.4	-179.8	-66.6	178.2	-179.8	163.3	0	111.1	E826 T827 A885	E826-K883 VanDerWaalsContact OE2-CD 3.29Å; E826-K883 WeakPolarHBondContact OE2-CD 3.36Å; E826-K883 WeakPolarHBondContact OE2-CE 3.3Å; E826-K883 IonicContact OE2-NZ 2.66Å; E826-K883 PolarHBondContact OE2-NZ 3.43Å; T827-K883 WeakPolarHBondContact O-CE 3.28Å; T827-K883 PolarHBondContact O-NZ 2.77Å; K883-A885 PolarHBondContact O-N 3.5Å
884	D	92.9	Very high	92.8	Very high	105 Å²	105	42 Å²	42	56%	0.561	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	37.7	174.5	-47.4	-38.1	0	0	0	112.6	S955 E956	D884-S955 CarbonylContact O-C 3.57Å; D884-S955 VanDerWaalsContact O-CA 3.23Å; D884-S955 WeakPolarHBondContact O-CA 3.36Å; D884-E956 HydrophobicContact CB-CB 4.28Å; D884-E956 HydrophobicContact CB-CG 3.99Å; D884-E956 WeakPolarHBondContact O-CG 2.93Å; D884-E956 PolarHBondContact O-N 3.36Å
885	A	95.1	Very high	92.4	Very high	20 Å²	20	41.9 Å²	41.9	17%	0.165	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.8	-178.7	0	0	0	0	0	110.9	V882 K883 M953 I954 F961	V882-A885 HydrophobicContact CB-CB 4.32Å; V882-A885 HydrophobicContact CG1-CB 4.03Å; K883-A885 PolarHBondContact O-N 3.5Å; A885-M953 HydrophobicContact CB-CE 3.94Å; A885-I954 VanDerWaalsContact CA-O 3.29Å; A885-I954 WeakPolarHBondContact CA-O 3.21Å; A885-F961 HydrophobicContact CB-CE1 3.78Å; A885-F961 HydrophobicContact CB-CZ 3.69Å
886	T	93.6	Very high	91.8	Very high	37 Å²	37	37.8 Å²	37.8	23%	0.227	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.7	-176.4	-56.4	0	0	0	0	109.4	Q890 I891 M953 I954	T886-Q890 HydrophobicContact CG2-CB 3.67Å; T886-I891 HydrophobicContact CG2-CG1 3.95Å; T886-M953 VanDerWaalsContact O-CA 3.31Å; T886-M953 WeakPolarHBondContact O-CA 3.29Å; T886-I954 PolarHBondContact N-O 3.09Å; T886-I954 PolarHBondContact O-N 3.19Å
887	T	93.4	Very high	90.8	Very high	16 Å²	16	39.2 Å²	39.2	10%	0.098	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	148.4	175.6	69.7	0	0	0	0	111	A889 Q890 I891 D950 I952 M953	T887-A889 PolarHBondContact O-N 3.18Å; T887-Q890 PolarHBondContact O-N 2.82Å; T887-Q890 VanDerWaalsContact O-N 3.15Å; T887-Q890 WeakPolarHBondContact OG1-CB 3.39Å; T887-Q890 VanDerWaalsContact OG1-CG 3.26Å; T887-Q890 WeakPolarHBondContact OG1-CG 3.47Å; T887-Q890 PolarHBondContact OG1-N 3.28Å; T887-Q890 VanDerWaalsContact OG1-N 3.13Å; T887-I891 PolarHBondContact O-N 3.1Å; T887-I891 VanDerWaalsContact O-N 3.14Å; T887-D950 WeakPolarHBondContact CG2-O 3.11Å; T887-I952 WeakPolarHBondContact CA-O 3.23Å; T887-M953 HydrophobicContact CG2-CE 4.46Å; T887-M953 HydrophobicContact CG2-CG 3.95Å; T887-M953 HydrophobicContact CG2-SD 4.49Å
888	I	92.5	Very high	89.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-35.4	175.4	-57.2	-58.6	0	0	0	110.4	I891 Q892 L907 N949 I952 I954 L960 F991	I888-I891 PolarHBondContact O-N 3.1Å; I888-Q892 HydrophobicContact CG2-CG 4.44Å; I888-Q892 WeakPolarHBondContact O-CG 3.26Å; I888-Q892 PolarHBondContact O-N 3.1Å; I888-L907 HydrophobicContact CD1-CD1 3.75Å; I888-L907 HydrophobicContact CD1-CD2 4.18Å; I888-N949 HydrophobicContact CB-CB 4.14Å; I888-N949 HydrophobicContact CG2-CB 4.19Å; I888-N949 PolarHBondContact N-O 3.18Å; I888-I952 HydrophobicContact CG1-CB 4.07Å; I888-I952 HydrophobicContact CG1-CG2 3.85Å; I888-I952 PolarHBondContact N-O 2.85Å; I888-I954 HydrophobicContact CD1-CB 4.09Å; I888-I954 HydrophobicContact CD1-CG2 3.84Å; I888-L960 HydrophobicContact CD1-CD1 4.22Å; I888-F991 HydrophobicContact CD1-CE1 4.14Å; I888-F991 HydrophobicContact CG1-CE1 4.13Å; I888-F991 HydrophobicContact CG1-CZ 4.27Å; I888-F991 HydrophobicContact CG2-CE1 4.28Å
889	A	88.6	Confident	88.5	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.033	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-45.5	176.3	0	0	0	0	0	112.3	T887 I891 Q892 Q893 N949 D950	T887-A889 PolarHBondContact O-N 3.18Å; A889-I891 VanDerWaalsContact C-N 3.33Å; A889-I891 PolarHBondContact O-N 3.18Å; A889-Q892 PolarHBondContact O-N 3.34Å; A889-Q893 VanDerWaalsContact O-CB 3.31Å; A889-Q893 WeakPolarHBondContact O-CB 3.32Å; A889-Q893 WeakPolarHBondContact O-CG 3.48Å; A889-Q893 PolarHBondContact O-N 3.21Å; A889-N949 HydrophobicContact CB-CB 3.87Å; A889-N949 WeakPolarHBondContact CB-O 3.4Å; A889-N949 PolarHBondContact N-O 2.85Å; A889-D950 HydrophobicContact CB-CB 4.37Å; A889-D950 WeakPolarHBondContact CB-OD1 3.46Å
890	Q	89.4	Confident	86.9	Confident	106 Å²	106	48.1 Å²	48.1	50%	0.495	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-39.5	177.3	-78.5	170.8	-12.4	0	0	111.8	T886 T887 Q893 S894	T886-Q890 HydrophobicContact CG2-CB 3.67Å; T887-Q890 PolarHBondContact O-N 2.82Å; T887-Q890 VanDerWaalsContact O-N 3.15Å; T887-Q890 WeakPolarHBondContact OG1-CB 3.39Å; T887-Q890 VanDerWaalsContact OG1-CG 3.26Å; T887-Q890 WeakPolarHBondContact OG1-CG 3.47Å; T887-Q890 PolarHBondContact OG1-N 3.28Å; T887-Q890 VanDerWaalsContact OG1-N 3.13Å; Q890-Q893 PolarHBondContact O-N 2.72Å; Q890-S894 PolarHBondContact O-N 2.88Å
891	I	91.4	Very high	86	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-48.5	175.6	-66.5	169.8	0	0	0	110.4	T886 T887 I888 A889 S894 V906 L907 W910 I954	T886-I891 HydrophobicContact CG2-CG1 3.95Å; T887-I891 PolarHBondContact O-N 3.1Å; T887-I891 VanDerWaalsContact O-N 3.14Å; I888-I891 PolarHBondContact O-N 3.1Å; A889-I891 VanDerWaalsContact C-N 3.33Å; A889-I891 PolarHBondContact O-N 3.18Å; I891-S894 PolarHBondContact O-N 3.5Å; I891-S894 PolarHBondContact O-OG 2.88Å; I891-V906 HydrophobicContact CG2-CG1 3.99Å; I891-L907 HydrophobicContact CD1-CD1 3.94Å; I891-L907 HydrophobicContact CG2-CD1 4.35Å; I891-W910 HydrophobicContact CD1-CD2 3.7Å; I891-W910 HydrophobicContact CD1-CE3 3.91Å; I891-W910 HydrophobicContact CD1-CG 4.13Å; I891-W910 HydrophobicContact CD1-CH2 4.38Å; I891-W910 HydrophobicContact CD1-CZ2 4.18Å; I891-W910 HydrophobicContact CD1-CZ3 4.26Å; I891-W910 HydrophobicContact CG1-CD2 4.14Å; I891-W910 HydrophobicContact CG1-CG 4.14Å; I891-W910 HydrophobicContact CG2-CB 3.8Å; I891-W910 HydrophobicContact CG2-CG 3.89Å; I891-I954 HydrophobicContact CD1-CG2 3.42Å; I891-I954 VanDerWaalsContact CD1-CG2 3.42Å
892	Q	88.4	Confident	85.3	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-44.8	176.9	-71.3	-73.4	-12.3	0	0	112.5	I888 A889 S894 T895 V896 F902 K903 D990	I888-Q892 HydrophobicContact CG2-CG 4.44Å; I888-Q892 WeakPolarHBondContact O-CG 3.26Å; I888-Q892 PolarHBondContact O-N 3.1Å; A889-Q892 PolarHBondContact O-N 3.34Å; Q892-S894 VanDerWaalsContact C-N 3.26Å; Q892-S894 PolarHBondContact O-N 3.23Å; Q892-T895 PolarHBondContact O-N 3.15Å; Q892-T895 VanDerWaalsContact O-N 3.16Å; Q892-V896 WeakPolarHBondContact O-CB 3.38Å; Q892-V896 PolarHBondContact O-N 3.36Å; Q892-F902 HydrophobicContact CB-CD1 4.01Å; Q892-F902 HydrophobicContact CB-CE1 4.38Å; Q892-F902 HydrophobicContact CG-CD1 4.11Å; Q892-K903 PolarHBondContact NE2-O 3.26Å; Q892-K903 PolarHBondContact OE1-O 3.38Å; Q892-D990 PolarHBondContact NE2-OD2 3.23Å; Q892-D990 VanDerWaalsContact NE2-OD2 3.16Å
893	Q	86.9	Confident	84.8	Confident	71 Å²	71	52.7 Å²	52.7	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-61.6	-32.5	179.7	-75.5	164.4	18.2	0	0	112.7	A889 Q890 T895 G897	A889-Q893 VanDerWaalsContact O-CB 3.31Å; A889-Q893 WeakPolarHBondContact O-CB 3.32Å; A889-Q893 WeakPolarHBondContact O-CG 3.48Å; A889-Q893 PolarHBondContact O-N 3.21Å; Q890-Q893 PolarHBondContact O-N 2.72Å; Q893-T895 PolarHBondContact O-N 3.25Å; Q893-G897 VanDerWaalsContact O-CA 3.26Å; Q893-G897 WeakPolarHBondContact O-CA 3.47Å; Q893-G897 PolarHBondContact O-N 3.49Å
894	S	86.2	Confident	84.6	Confident	91 Å²	91	51.1 Å²	51.1	64%	0.636	30%	0.299	S	S	*	.	H	α-helix	trans	-60	-28.1	177.6	75.8	0	0	0	0	113.4	Q890 I891 Q892	Q890-S894 PolarHBondContact O-N 2.88Å; I891-S894 PolarHBondContact O-N 3.5Å; I891-S894 PolarHBondContact O-OG 2.88Å; Q892-S894 VanDerWaalsContact C-N 3.26Å; Q892-S894 PolarHBondContact O-N 3.23Å
895	T	82.9	Confident	84.6	Confident	84 Å²	84	51.1 Å²	51.1	52%	0.515	30%	0.295	S	S	.	.	H	α-helix	trans	-105.6	-38.6	-177.7	-59.7	0	0	0	0	112.8	Q892 Q893 V906	Q892-T895 PolarHBondContact O-N 3.15Å; Q892-T895 VanDerWaalsContact O-N 3.16Å; Q893-T895 PolarHBondContact O-N 3.25Å; T895-V906 HydrophobicContact CG2-CG2 3.94Å
896	V	79.5	Confident	84.5	Confident	26 Å²	26	50.6 Å²	50.6	16%	0.158	29%	0.29	C	S	.	.	H	α-helix	trans	-101.6	-13.6	-170.8	178.1	0	0	0	0	112.4	Q892 T899 A901 K903	Q892-V896 WeakPolarHBondContact O-CB 3.38Å; Q892-V896 PolarHBondContact O-N 3.36Å; V896-T899 VanDerWaalsContact CG1-OG1 3.31Å; V896-T899 WeakPolarHBondContact CG1-OG1 3.35Å; V896-T899 PolarHBondContact O-OG1 3.31Å; V896-A901 HydrophobicContact CG1-CB 4.03Å; V896-A901 WeakPolarHBondContact CG1-O 3.39Å; V896-K903 HydrophobicContact CG2-CB 4.38Å; V896-K903 HydrophobicContact CG2-CD 4.19Å; V896-K903 HydrophobicContact CG2-CG 4.04Å
897	G	74	Confident	84.5	Confident	33 Å²	33	48.8 Å²	48.8	34%	0.34	28%	0.279	S	S	.	.			trans	72.4	-166.3	-171.4	0	0	0	0	0	112.7	Q893 T899	Q893-G897 VanDerWaalsContact O-CA 3.26Å; Q893-G897 WeakPolarHBondContact O-CA 3.47Å; Q893-G897 PolarHBondContact O-N 3.49Å; G897-T899 PolarHBondContact O-N 2.92Å
898	N	73.5	Confident	84.5	Confident	126 Å²	126	49.4 Å²	49.4	67%	0.674	28%	0.282	S	S	*	.	S	Bend	trans	-78.5	47	-179.4	-65.3	-19.7	0	0	0	112.4	F1087	N898-F1087 WeakPolarHBondContact O-CZ 3.43Å
899	T	71.6	Confident	84.6	Confident	72 Å²	72	54.6 Å²	54.6	44%	0.442	31%	0.306	S	S	.	.	S	Bend	trans	-122.7	152.2	178.9	75.5	0	0	0	0	110.6	V896 G897 A901 F1087	V896-T899 VanDerWaalsContact CG1-OG1 3.31Å; V896-T899 WeakPolarHBondContact CG1-OG1 3.35Å; V896-T899 PolarHBondContact O-OG1 3.31Å; G897-T899 PolarHBondContact O-N 2.92Å; T899-A901 PolarHBondContact O-N 2.79Å; T899-F1087 VanDerWaalsContact C-CZ 3.43Å
900	G	65.7	Low	84.9	Confident	11 Å²	11	55.8 Å²	55.8	11%	0.113	31%	0.31	C	S	.	.	S	Bend	trans	-77.7	11	179.4	0	0	0	0	0	114.4	F902 F1084	G900-F902 WeakPolarHBondContact O-CD2 3.35Å; G900-F902 PolarHBondContact O-N 3.24Å; G900-F1084 VanDerWaalsContact O-CD2 3.31Å; G900-F1084 WeakPolarHBondContact O-CD2 3.47Å
901	A	77.6	Confident	85.2	Confident	64 Å²	64	50.7 Å²	50.7	53%	0.529	29%	0.286	S	S	.	.			trans	-82.6	53.6	-176.9	0	0	0	0	0	112	V896 T899	V896-A901 HydrophobicContact CG1-CB 4.03Å; V896-A901 WeakPolarHBondContact CG1-O 3.39Å; T899-A901 PolarHBondContact O-N 2.79Å
902	F	81.2	Confident	85.3	Confident	32 Å²	32	53.5 Å²	53.5	14%	0.14	30%	0.298	C	S	.	.			trans	-53.4	143.1	-177.3	-57	-61.1	0	0	0	112	Q892 G900 W1080 Q1083 F1087	Q892-F902 HydrophobicContact CB-CD1 4.01Å; Q892-F902 HydrophobicContact CB-CE1 4.38Å; Q892-F902 HydrophobicContact CG-CD1 4.11Å; G900-F902 WeakPolarHBondContact O-CD2 3.35Å; G900-F902 PolarHBondContact O-N 3.24Å; F902-W1080 HydrophobicContact CB-CD2 3.73Å; F902-W1080 HydrophobicContact CB-CE3 3.64Å; F902-W1080 HydrophobicContact CB-CH2 3.69Å; F902-W1080 HydrophobicContact CB-CZ2 3.79Å; F902-W1080 HydrophobicContact CB-CZ3 3.62Å; F902-W1080 HydrophobicContact CD2-CD2 4.33Å; F902-W1080 AromaticContact CD2-CE3 3.67Å; F902-W1080 HydrophobicContact CD2-CE3 3.67Å; F902-W1080 AromaticContact CD2-CZ3 3.97Å; F902-W1080 HydrophobicContact CD2-CZ3 3.97Å; F902-W1080 HydrophobicContact CG-CD2 4.42Å; F902-W1080 AromaticContact CG-CE3 3.87Å; F902-W1080 HydrophobicContact CG-CE3 3.87Å; F902-W1080 HydrophobicContact CG-CH2 4.28Å; F902-W1080 AromaticContact CG-CZ3 3.8Å; F902-W1080 HydrophobicContact CG-CZ3 3.8Å; F902-Q1083 HydrophobicContact CE2-CB 4.22Å; F902-F1087 HydrophobicContact CE2-CB 4.12Å; F902-F1087 HydrophobicContact CZ-CB 3.97Å; F902-F1087 HydrophobicContact CZ-CD2 4.02Å; F902-F1087 HydrophobicContact CZ-CG 4.17Å
903	K	85.7	Confident	85.7	Confident	120 Å²	120	60.5 Å²	60.5	52%	0.522	33%	0.331	S	S	.	.			trans	-117.7	137.2	-179	-73.7	-174.5	179.4	-176.5	0	110.6	Q892 V896 E905 V906	Q892-K903 PolarHBondContact NE2-O 3.26Å; Q892-K903 PolarHBondContact OE1-O 3.38Å; V896-K903 HydrophobicContact CG2-CB 4.38Å; V896-K903 HydrophobicContact CG2-CD 4.19Å; V896-K903 HydrophobicContact CG2-CG 4.04Å; K903-E905 VanDerWaalsContact C-N 3.33Å; K903-E905 PolarHBondContact O-N 3.08Å; K903-V906 HydrophobicContact CB-CG2 3.6Å; K903-V906 HydrophobicContact CD-CG2 4.49Å
904	D	87.5	Confident	86	Confident	53 Å²	53	61 Å²	61	28%	0.283	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-36.9	-175.3	-56.7	2.9	0	0	0	112.1	V906 P989 D990 F993 W1080	D904-V906 PolarHBondContact O-N 3.35Å; D904-P989 HydrophobicContact CB-CB 4.43Å; D904-P989 WeakPolarHBondContact OD1-CB 3.41Å; D904-D990 VanDerWaalsContact O-CA 3.25Å; D904-D990 WeakPolarHBondContact O-CA 3.5Å; D904-D990 WeakPolarHBondContact O-CB 3.49Å; D904-F993 HydrophobicContact CB-CB 4.37Å; D904-F993 HydrophobicContact CB-CD2 4.2Å; D904-F993 HydrophobicContact CB-CG 4.48Å; D904-F993 WeakPolarHBondContact O-CB 3.44Å; D904-W1080 PolarHBondContact OD1-NE1 3.45Å
905	E	91.1	Very high	86.4	Confident	104 Å²	104	57.1 Å²	57.1	49%	0.486	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-17.9	-168.4	-52	169.8	-166.6	0	0	114.1	K903 L907 N908 H909 F993	K903-E905 VanDerWaalsContact C-N 3.33Å; K903-E905 PolarHBondContact O-N 3.08Å; E905-L907 PolarHBondContact O-N 3.04Å; E905-N908 PolarHBondContact O-N 2.74Å; E905-H909 PolarHBondContact O-N 2.78Å; E905-H909 IonicContact OE2-CE1 3.17Å; E905-F993 HydrophobicContact CB-CD1 4.49Å; E905-F993 HydrophobicContact CB-CE1 4.09Å; E905-F993 HydrophobicContact CB-CZ 4.15Å; E905-F993 HydrophobicContact CG-CD2 4.29Å; E905-F993 HydrophobicContact CG-CE1 4.08Å; E905-F993 HydrophobicContact CG-CE2 3.74Å; E905-F993 HydrophobicContact CG-CZ 3.63Å
906	V	93.3	Very high	86.8	Confident	9 Å²	9	57.8 Å²	57.8	6%	0.055	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-43.2	-165.2	177.3	0	0	0	0	112.1	I891 T895 K903 D904 N908 H909 W910	I891-V906 HydrophobicContact CG2-CG1 3.99Å; T895-V906 HydrophobicContact CG2-CG2 3.94Å; K903-V906 HydrophobicContact CB-CG2 3.6Å; K903-V906 HydrophobicContact CD-CG2 4.49Å; D904-V906 PolarHBondContact O-N 3.35Å; V906-N908 VanDerWaalsContact C-N 3.34Å; V906-N908 PolarHBondContact O-N 2.86Å; V906-H909 PolarHBondContact O-N 2.87Å; V906-W910 WeakPolarHBondContact O-CB 3.49Å; V906-W910 PolarHBondContact O-N 3.06Å
907	L	94.1	Very high	87.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64.1	-41.6	-179.8	-176.2	61.3	0	0	0	111.6	I888 I891 E905 W910 L911 F928 I954 D990 F991 V994	I888-L907 HydrophobicContact CD1-CD1 3.75Å; I888-L907 HydrophobicContact CD1-CD2 4.18Å; I891-L907 HydrophobicContact CD1-CD1 3.94Å; I891-L907 HydrophobicContact CG2-CD1 4.35Å; E905-L907 PolarHBondContact O-N 3.04Å; L907-W910 PolarHBondContact O-N 2.97Å; L907-L911 PolarHBondContact O-N 3.48Å; L907-F928 HydrophobicContact CD2-CE2 4.09Å; L907-F928 HydrophobicContact CD2-CZ 4.23Å; L907-I954 HydrophobicContact CD1-CD1 4.16Å; L907-I954 HydrophobicContact CD1-CG2 4.12Å; L907-D990 HydrophobicContact CB-CB 4.11Å; L907-F991 HydrophobicContact CD2-CD1 3.58Å; L907-F991 HydrophobicContact CD2-CE1 3.84Å; L907-V994 HydrophobicContact CB-CG2 4.19Å; L907-V994 HydrophobicContact CD2-CG2 3.91Å; L907-V994 HydrophobicContact CG-CG2 3.86Å
908	N	94.3	Very high	88.4	Confident	29 Å²	29	64 Å²	64	16%	0.155	33%	0.331	C	S	.	.	H	α-helix	trans	-67.2	-41.1	178	-176	68.6	0	0	0	112	E905 V906 L911 K912 F921 F993 V994	E905-N908 PolarHBondContact O-N 2.74Å; V906-N908 VanDerWaalsContact C-N 3.34Å; V906-N908 PolarHBondContact O-N 2.86Å; N908-L911 PolarHBondContact O-N 2.86Å; N908-K912 WeakPolarHBondContact O-CB 3.41Å; N908-K912 PolarHBondContact O-N 3.41Å; N908-F921 WeakPolarHBondContact OD1-CZ 3.21Å; N908-F993 HydrophobicContact CB-CD1 3.64Å; N908-F993 HydrophobicContact CB-CE1 4.02Å; N908-V994 HydrophobicContact CB-CG2 3.94Å
909	H	94.3	Very high	89.3	Confident	108 Å²	108	66 Å²	66	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-44.5	174	-73.1	170.9	0	0	0	112.1	E905 V906 L911 K912 E913	E905-H909 PolarHBondContact O-N 2.78Å; E905-H909 IonicContact OE2-CE1 3.17Å; V906-H909 PolarHBondContact O-N 2.87Å; H909-L911 VanDerWaalsContact C-N 3.34Å; H909-L911 PolarHBondContact O-N 2.8Å; H909-K912 PolarHBondContact O-N 2.65Å; H909-E913 WeakPolarHBondContact O-CB 3.14Å; H909-E913 PolarHBondContact O-N 2.92Å
910	W	95.4	Very high	90.2	Very high	29 Å²	29	68.8 Å²	68.8	11%	0.11	34%	0.342	C	S	.	.	H	α-helix	trans	-58.4	-46.3	175.1	179.7	89.8	0	0	0	111.4	I891 V906 L907 K912 E913 K914 I954 E956	I891-W910 HydrophobicContact CD1-CD2 3.7Å; I891-W910 HydrophobicContact CD1-CE3 3.91Å; I891-W910 HydrophobicContact CD1-CG 4.13Å; I891-W910 HydrophobicContact CD1-CH2 4.38Å; I891-W910 HydrophobicContact CD1-CZ2 4.18Å; I891-W910 HydrophobicContact CD1-CZ3 4.26Å; I891-W910 HydrophobicContact CG1-CD2 4.14Å; I891-W910 HydrophobicContact CG1-CG 4.14Å; I891-W910 HydrophobicContact CG2-CB 3.8Å; I891-W910 HydrophobicContact CG2-CG 3.89Å; V906-W910 WeakPolarHBondContact O-CB 3.49Å; V906-W910 PolarHBondContact O-N 3.06Å; L907-W910 PolarHBondContact O-N 2.97Å; W910-K912 VanDerWaalsContact C-N 3.32Å; W910-K912 PolarHBondContact O-N 2.75Å; W910-E913 WeakPolarHBondContact O-CB 3.36Å; W910-E913 PolarHBondContact O-N 2.91Å; W910-K914 HydrophobicContact CD2-CG 4.15Å; W910-K914 HydrophobicContact CE3-CG 4.35Å; W910-K914 HydrophobicContact CH2-CG 4.14Å; W910-K914 HydrophobicContact CZ2-CD 4.48Å; W910-K914 HydrophobicContact CZ2-CG 3.93Å; W910-K914 HydrophobicContact CZ3-CG 4.34Å; W910-K914 WeakPolarHBondContact O-CG 3.45Å; W910-K914 PolarHBondContact O-N 3.3Å; W910-I954 HydrophobicContact CE3-CG2 4.3Å; W910-I954 HydrophobicContact CH2-CG2 4.05Å; W910-I954 HydrophobicContact CZ3-CG1 4.49Å; W910-I954 HydrophobicContact CZ3-CG2 3.72Å; W910-E956 HydrophobicContact CH2-CG 4.09Å; W910-E956 HydrophobicContact CZ2-CG 4.25Å
911	L	94.8	Very high	91.5	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-65.5	-36.7	179.3	-166.7	64.1	0	0	0	111.9	L907 N908 H909 K914 C915 F921 A924 V925 I954 V994	L907-L911 PolarHBondContact O-N 3.48Å; N908-L911 PolarHBondContact O-N 2.86Å; H909-L911 VanDerWaalsContact C-N 3.34Å; H909-L911 PolarHBondContact O-N 2.8Å; L911-K914 PolarHBondContact O-N 2.7Å; L911-C915 WeakPolarHBondContact O-CB 3.48Å; L911-C915 PolarHBondContact O-N 3.42Å; L911-F921 HydrophobicContact CB-CE2 4.31Å; L911-F921 HydrophobicContact CD2-CE2 4.47Å; L911-F921 HydrophobicContact CG-CE2 4.31Å; L911-A924 HydrophobicContact CD1-CB 4.14Å; L911-A924 HydrophobicContact CD2-CB 4.19Å; L911-A924 HydrophobicContact CG-CB 4.22Å; L911-V925 HydrophobicContact CD2-CG2 4.28Å; L911-I954 HydrophobicContact CD1-CD1 4.48Å; L911-V994 HydrophobicContact CD2-CG1 4.27Å
912	K	94.5	Very high	92.3	Very high	60 Å²	60	69.7 Å²	69.7	26%	0.261	33%	0.332	S	S	.	.	H	α-helix	trans	-67.6	-35.5	175.1	-168.8	63.4	173.3	-177.4	0	112.6	N908 H909 W910 C915 P916 E918 F921	N908-K912 WeakPolarHBondContact O-CB 3.41Å; N908-K912 PolarHBondContact O-N 3.41Å; H909-K912 PolarHBondContact O-N 2.65Å; W910-K912 VanDerWaalsContact C-N 3.32Å; W910-K912 PolarHBondContact O-N 2.75Å; K912-C915 CarbonylContact O-C 3.37Å; K912-C915 PolarHBondContact O-N 2.91Å; K912-C915 VanDerWaalsContact O-O 3.1Å; K912-P916 WeakPolarHBondContact O-CA 3.38Å; K912-E918 IonicContact NZ-OE1 3Å; K912-E918 IonicContact NZ-OE2 3.38Å; K912-E918 PolarHBondContact NZ-OE2 3.35Å; K912-F921 HydrophobicContact CB-CD2 4.08Å; K912-F921 HydrophobicContact CB-CE2 3.73Å; K912-F921 HydrophobicContact CB-CZ 4.29Å; K912-F921 HydrophobicContact CD-CB 4.16Å; K912-F921 HydrophobicContact CD-CD1 3.74Å; K912-F921 HydrophobicContact CD-CD2 3.47Å; K912-F921 VanDerWaalsContact CD-CD2 3.47Å; K912-F921 HydrophobicContact CD-CE1 3.93Å; K912-F921 HydrophobicContact CD-CE2 3.69Å; K912-F921 HydrophobicContact CD-CG 3.49Å; K912-F921 VanDerWaalsContact CD-CG 3.49Å; K912-F921 HydrophobicContact CD-CZ 3.91Å; K912-F921 HydrophobicContact CG-CD2 4.41Å; K912-F921 HydrophobicContact CG-CE2 4.33Å; K912-F921 VanDerWaalsContact NZ-CD1 3.29Å
913	E	95.1	Very high	92.9	Very high	148 Å²	148	70.2 Å²	70.2	69%	0.692	34%	0.343	S	S	*	.	H	α-helix	trans	-65.7	-42.9	174.6	-172.3	-173.3	159.7	0	0	111.3	H909 W910 C915	H909-E913 WeakPolarHBondContact O-CB 3.14Å; H909-E913 PolarHBondContact O-N 2.92Å; W910-E913 WeakPolarHBondContact O-CB 3.36Å; W910-E913 PolarHBondContact O-N 2.91Å; E913-C915 VanDerWaalsContact C-N 3.34Å
914	K	94.7	Very high	93.3	Very high	81 Å²	81	64.6 Å²	64.6	35%	0.352	32%	0.319	S	S	.	.	H	α-helix	trans	-70.5	-30.8	176.2	-63.4	-59	-174.3	163	0	113.1	W910 L911 P916 E956	W910-K914 HydrophobicContact CD2-CG 4.15Å; W910-K914 HydrophobicContact CE3-CG 4.35Å; W910-K914 HydrophobicContact CH2-CG 4.14Å; W910-K914 HydrophobicContact CZ2-CD 4.48Å; W910-K914 HydrophobicContact CZ2-CG 3.93Å; W910-K914 HydrophobicContact CZ3-CG 4.34Å; W910-K914 WeakPolarHBondContact O-CG 3.45Å; W910-K914 PolarHBondContact O-N 3.3Å; L911-K914 PolarHBondContact O-N 2.7Å; K914-P916 VanDerWaalsContact C-CD 3.48Å; K914-P916 WeakPolarHBondContact O-CD 3.44Å; K914-E956 HydrophobicContact CB-CB 4.25Å; K914-E956 HydrophobicContact CB-CG 4.41Å; K914-E956 HydrophobicContact CD-CG 3.86Å; K914-E956 WeakPolarHBondContact CE-OE1 3.28Å; K914-E956 HydrophobicContact CG-CB 4.39Å; K914-E956 HydrophobicContact CG-CG 4.02Å; K914-E956 IonicContact NZ-OE1 3.87Å; K914-E956 PolarHBondContact NZ-OE1 2.59Å
915	C	93.8	Very high	93.7	Very high	10 Å²	10	62.2 Å²	62.2	7%	0.068	31%	0.306	C	S	.	.			trans	-118.8	74.2	177.5	-68.6	0	0	0	0	111.2	L911 K912 E913 I917 K920 F921 E956	L911-C915 WeakPolarHBondContact O-CB 3.48Å; L911-C915 PolarHBondContact O-N 3.42Å; K912-C915 CarbonylContact O-C 3.37Å; K912-C915 PolarHBondContact O-N 2.91Å; K912-C915 VanDerWaalsContact O-O 3.1Å; E913-C915 VanDerWaalsContact C-N 3.34Å; C915-I917 PolarHBondContact O-N 3.32Å; C915-K920 HydrophobicContact CB-CB 4.29Å; C915-F921 HydrophobicContact CB-CB 4.07Å; C915-F921 HydrophobicContact CB-CD2 4.31Å; C915-F921 WeakPolarHBondContact O-CB 3.17Å; C915-E956 PolarHBondContact SG-O 3.42Å; C915-E956 VanDerWaalsContact SG-O 3.42Å
916	P	91.6	Very high	93.9	Very high	99 Å²	99	62.2 Å²	62.2	64%	0.643	31%	0.306	S	S	*	.			trans	-69.5	-23.9	-176.8	27.6	-34.9	0	0	0	112.8	K912 K914	K912-P916 WeakPolarHBondContact O-CA 3.38Å; K914-P916 VanDerWaalsContact C-CD 3.48Å; K914-P916 WeakPolarHBondContact O-CD 3.44Å
917	I	93.8	Very high	94	Very high	89 Å²	89	65.4 Å²	65.4	46%	0.456	32%	0.317	S	S	.	.	S	Bend	trans	-78.4	125.1	177.2	-58.3	174.1	0	0	0	108.8	C915 E919 K920 F921	C915-I917 PolarHBondContact O-N 3.32Å; I917-E919 VanDerWaalsContact C-N 3.34Å; I917-E919 HydrophobicContact CG2-CB 4.44Å; I917-E919 PolarHBondContact O-N 2.9Å; I917-K920 HydrophobicContact CB-CB 4.2Å; I917-K920 HydrophobicContact CB-CD 4.39Å; I917-K920 HydrophobicContact CB-CG 4.15Å; I917-K920 HydrophobicContact CD1-CD 4.13Å; I917-K920 HydrophobicContact CG2-CG 4.37Å; I917-K920 PolarHBondContact O-N 3.08Å; I917-F921 PolarHBondContact O-N 3.46Å
918	E	92.2	Very high	94.2	Very high	101 Å²	101	65.4 Å²	65.4	47%	0.472	32%	0.317	S	S	.	.	H	α-helix	trans	-54.6	-45.9	-175.4	-169.7	59.6	-140.2	0	0	112.9	K912 K920 F921 Q922	K912-E918 IonicContact NZ-OE1 3Å; K912-E918 IonicContact NZ-OE2 3.38Å; K912-E918 PolarHBondContact NZ-OE2 3.35Å; E918-K920 VanDerWaalsContact C-N 3.34Å; E918-K920 PolarHBondContact O-N 3.13Å; E918-F921 WeakPolarHBondContact O-CB 3Å; E918-F921 PolarHBondContact O-N 2.66Å; E918-Q922 WeakPolarHBondContact O-CG 3.48Å; E918-Q922 PolarHBondContact O-N 2.92Å; E918-Q922 PolarHBondContact OE1-NE2 3.32Å
919	E	92.4	Very high	94.3	Very high	167 Å²	167	64.1 Å²	64.1	78%	0.78	31%	0.31	S	S	*	.	H	α-helix	trans	-60.2	-41.8	177.6	-65.2	177.5	176.4	0	0	112.4	I917 A923	I917-E919 VanDerWaalsContact C-N 3.34Å; I917-E919 HydrophobicContact CG2-CB 4.44Å; I917-E919 PolarHBondContact O-N 2.9Å; E919-A923 WeakPolarHBondContact O-CB 3.4Å; E919-A923 PolarHBondContact O-N 3.41Å
920	K	90.7	Very high	94.4	Very high	131 Å²	131	61.3 Å²	61.3	57%	0.57	30%	0.295	S	S	*	.	H	α-helix	trans	-68.2	-38.6	176.3	-69.2	-167.4	177.4	-174.5	0	111.5	C915 I917 E918 A923 A924	C915-K920 HydrophobicContact CB-CB 4.29Å; I917-K920 HydrophobicContact CB-CB 4.2Å; I917-K920 HydrophobicContact CB-CD 4.39Å; I917-K920 HydrophobicContact CB-CG 4.15Å; I917-K920 HydrophobicContact CD1-CD 4.13Å; I917-K920 HydrophobicContact CG2-CG 4.37Å; I917-K920 PolarHBondContact O-N 3.08Å; E918-K920 VanDerWaalsContact C-N 3.34Å; E918-K920 PolarHBondContact O-N 3.13Å; K920-A923 PolarHBondContact O-N 2.92Å; K920-A924 WeakPolarHBondContact O-CB 3.33Å; K920-A924 PolarHBondContact O-N 2.96Å
921	F	94.5	Very high	94.5	Very high	17 Å²	17	60 Å²	60	8%	0.075	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-47.7	176.9	-179.2	-111.8	0	0	0	111.4	N908 L911 K912 C915 I917 E918 A923 A924 V925	N908-F921 WeakPolarHBondContact OD1-CZ 3.21Å; L911-F921 HydrophobicContact CB-CE2 4.31Å; L911-F921 HydrophobicContact CD2-CE2 4.47Å; L911-F921 HydrophobicContact CG-CE2 4.31Å; K912-F921 HydrophobicContact CB-CD2 4.08Å; K912-F921 HydrophobicContact CB-CE2 3.73Å; K912-F921 HydrophobicContact CB-CZ 4.29Å; K912-F921 HydrophobicContact CD-CB 4.16Å; K912-F921 HydrophobicContact CD-CD1 3.74Å; K912-F921 HydrophobicContact CD-CD2 3.47Å; K912-F921 VanDerWaalsContact CD-CD2 3.47Å; K912-F921 HydrophobicContact CD-CE1 3.93Å; K912-F921 HydrophobicContact CD-CE2 3.69Å; K912-F921 HydrophobicContact CD-CG 3.49Å; K912-F921 VanDerWaalsContact CD-CG 3.49Å; K912-F921 HydrophobicContact CD-CZ 3.91Å; K912-F921 HydrophobicContact CG-CD2 4.41Å; K912-F921 HydrophobicContact CG-CE2 4.33Å; K912-F921 VanDerWaalsContact NZ-CD1 3.29Å; C915-F921 HydrophobicContact CB-CB 4.07Å; C915-F921 HydrophobicContact CB-CD2 4.31Å; C915-F921 WeakPolarHBondContact O-CB 3.17Å; I917-F921 PolarHBondContact O-N 3.46Å; E918-F921 WeakPolarHBondContact O-CB 3Å; E918-F921 PolarHBondContact O-N 2.66Å; F921-A923 VanDerWaalsContact C-N 3.32Å; F921-A923 PolarHBondContact O-N 2.86Å; F921-A924 WeakPolarHBondContact O-CB 2.91Å; F921-A924 PolarHBondContact O-N 3.34Å; F921-A924 VanDerWaalsContact O-N 3.11Å; F921-V925 HydrophobicContact CD1-CG2 4.31Å; F921-V925 HydrophobicContact CD2-CG2 4.37Å; F921-V925 HydrophobicContact CE1-CG2 3.9Å; F921-V925 HydrophobicContact CE2-CG2 3.96Å; F921-V925 HydrophobicContact CZ-CG2 3.71Å; F921-V925 WeakPolarHBondContact O-CG2 3.4Å; F921-V925 PolarHBondContact O-N 3.36Å
922	Q	94.4	Very high	94.7	Very high	77 Å²	77	60 Å²	60	36%	0.36	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-40.8	176.7	-66.8	-58.2	-34.2	0	0	111.7	E918 A924 V925 E926	E918-Q922 WeakPolarHBondContact O-CG 3.48Å; E918-Q922 PolarHBondContact O-N 2.92Å; E918-Q922 PolarHBondContact OE1-NE2 3.32Å; Q922-A924 VanDerWaalsContact C-N 3.32Å; Q922-A924 PolarHBondContact O-N 3.31Å; Q922-V925 PolarHBondContact O-N 3.44Å; Q922-E926 WeakPolarHBondContact O-CB 3.43Å; Q922-E926 PolarHBondContact O-N 3.14Å
923	A	92.5	Very high	94.8	Very high	43 Å²	43	57.1 Å²	57.1	36%	0.355	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-36.1	173.4	0	0	0	0	0	112.8	E919 K920 F921 R927	E919-A923 WeakPolarHBondContact O-CB 3.4Å; E919-A923 PolarHBondContact O-N 3.41Å; K920-A923 PolarHBondContact O-N 2.92Å; F921-A923 VanDerWaalsContact C-N 3.32Å; F921-A923 PolarHBondContact O-N 2.86Å; A923-R927 WeakPolarHBondContact O-CB 3.26Å; A923-R927 PolarHBondContact O-N 2.96Å
924	A	94.8	Very high	94.9	Very high	2 Å²	2	50 Å²	50	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-70.4	-41	176	0	0	0	0	0	112.1	L911 K920 F921 Q922 R927 F928 T957	L911-A924 HydrophobicContact CD1-CB 4.14Å; L911-A924 HydrophobicContact CD2-CB 4.19Å; L911-A924 HydrophobicContact CG-CB 4.22Å; K920-A924 WeakPolarHBondContact O-CB 3.33Å; K920-A924 PolarHBondContact O-N 2.96Å; F921-A924 WeakPolarHBondContact O-CB 2.91Å; F921-A924 PolarHBondContact O-N 3.34Å; F921-A924 VanDerWaalsContact O-N 3.11Å; Q922-A924 VanDerWaalsContact C-N 3.32Å; Q922-A924 PolarHBondContact O-N 3.31Å; A924-R927 PolarHBondContact O-N 2.68Å; A924-F928 WeakPolarHBondContact O-CB 3.39Å; A924-F928 PolarHBondContact O-N 2.93Å; A924-T957 WeakPolarHBondContact CA-O 3.12Å
925	V	96.4	Very high	95	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-42	173.3	172	0	0	0	0	110.8	L911 F921 Q922 F928 V929 V994	L911-V925 HydrophobicContact CD2-CG2 4.28Å; F921-V925 HydrophobicContact CD1-CG2 4.31Å; F921-V925 HydrophobicContact CD2-CG2 4.37Å; F921-V925 HydrophobicContact CE1-CG2 3.9Å; F921-V925 HydrophobicContact CE2-CG2 3.96Å; F921-V925 HydrophobicContact CZ-CG2 3.71Å; F921-V925 WeakPolarHBondContact O-CG2 3.4Å; F921-V925 PolarHBondContact O-N 3.36Å; Q922-V925 PolarHBondContact O-N 3.44Å; V925-F928 WeakPolarHBondContact O-CB 3.35Å; V925-F928 PolarHBondContact O-N 2.78Å; V925-V929 WeakPolarHBondContact O-CG2 3.49Å; V925-V929 PolarHBondContact O-N 2.65Å; V925-V994 HydrophobicContact CG1-CG1 4.49Å; V925-V994 HydrophobicContact CG2-CG1 4.32Å
926	E	94.8	Very high	95	Very high	103 Å²	103	45.9 Å²	45.9	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-47.6	174.4	-175.8	172	-148	0	0	111.1	Q922 F928 V929 Y930	Q922-E926 WeakPolarHBondContact O-CB 3.43Å; Q922-E926 PolarHBondContact O-N 3.14Å; E926-F928 VanDerWaalsContact C-N 3.26Å; E926-F928 PolarHBondContact O-N 3.03Å; E926-V929 WeakPolarHBondContact O-CB 3.38Å; E926-V929 PolarHBondContact O-N 3.39Å; E926-V929 VanDerWaalsContact O-N 3.08Å; E926-Y930 HydrophobicContact CG-CD2 3.84Å; E926-Y930 HydrophobicContact CG-CE2 3.56Å; E926-Y930 VanDerWaalsContact O-CD2 3.25Å; E926-Y930 WeakPolarHBondContact O-CD2 3.42Å; E926-Y930 PolarHBondContact O-N 3.15Å; E926-Y930 VanDerWaalsContact O-N 3.09Å
927	R	95.2	Very high	95.3	Very high	77 Å²	77	41.1 Å²	41.1	29%	0.291	20%	0.195	S	C	.	.	H	α-helix	trans	-59.2	-37.9	175.2	-173.3	167.9	-69.7	109.5	-4.9	112.3	C863 A923 A924 Y930 S931 T957 G958 N959	C863-R927 HydrophobicContact CB-CG 4.45Å; A923-R927 WeakPolarHBondContact O-CB 3.26Å; A923-R927 PolarHBondContact O-N 2.96Å; A924-R927 PolarHBondContact O-N 2.68Å; R927-Y930 PolarHBondContact O-N 3.46Å; R927-S931 WeakPolarHBondContact O-CB 3.39Å; R927-S931 PolarHBondContact O-N 3.4Å; R927-S931 PolarHBondContact O-OG 2.79Å; R927-T957 PolarHBondContact NH1-O 3.01Å; R927-G958 CarbonylContact C-O 3.54Å; R927-N959 HydrophobicContact CG-CB 4.16Å
928	F	97.4	Very high	95.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-44.7	173.7	179	-93.2	0	0	0	111.6	L907 A924 V925 E926 Y930 S931 C932 I954 G958 L960 F991 V994 M995	L907-F928 HydrophobicContact CD2-CE2 4.09Å; L907-F928 HydrophobicContact CD2-CZ 4.23Å; A924-F928 WeakPolarHBondContact O-CB 3.39Å; A924-F928 PolarHBondContact O-N 2.93Å; V925-F928 WeakPolarHBondContact O-CB 3.35Å; V925-F928 PolarHBondContact O-N 2.78Å; E926-F928 VanDerWaalsContact C-N 3.26Å; E926-F928 PolarHBondContact O-N 3.03Å; F928-Y930 PolarHBondContact O-N 2.67Å; F928-S931 PolarHBondContact O-OG 3.35Å; F928-C932 HydrophobicContact CE1-CB 4.39Å; F928-C932 WeakPolarHBondContact O-CB 3.27Å; F928-C932 PolarHBondContact O-N 3.2Å; F928-I954 HydrophobicContact CD2-CD1 3.67Å; F928-I954 HydrophobicContact CE2-CD1 4Å; F928-G958 WeakPolarHBondContact CA-O 3.23Å; F928-G958 WeakPolarHBondContact CB-O 3.29Å; F928-G958 PolarHBondContact N-O 3.28Å; F928-G958 VanDerWaalsContact N-O 3.09Å; F928-L960 HydrophobicContact CD2-CB 4.3Å; F928-L960 HydrophobicContact CE2-CB 4.39Å; F928-L960 HydrophobicContact CE2-CD1 4.03Å; F928-F991 HydrophobicContact CE1-CB 4.22Å; F928-F991 HydrophobicContact CE2-CD1 4.47Å; F928-F991 HydrophobicContact CZ-CB 3.79Å; F928-F991 AromaticContact CZ-CD1 3.92Å; F928-F991 HydrophobicContact CZ-CD1 3.92Å; F928-F991 HydrophobicContact CZ-CD2 4.47Å; F928-F991 AromaticContact CZ-CG 3.81Å; F928-F991 HydrophobicContact CZ-CG 3.81Å; F928-V994 HydrophobicContact CB-CG1 4.32Å; F928-V994 HydrophobicContact CD1-CB 4Å; F928-V994 HydrophobicContact CD1-CG1 3.46Å; F928-V994 VanDerWaalsContact CD1-CG1 3.46Å; F928-V994 HydrophobicContact CD2-CG1 4.46Å; F928-V994 HydrophobicContact CE1-CB 3.78Å; F928-V994 HydrophobicContact CE1-CG1 3.8Å; F928-V994 HydrophobicContact CE1-CG2 4.46Å; F928-V994 HydrophobicContact CG-CG1 3.83Å; F928-V994 HydrophobicContact CZ-CB 4.26Å; F928-V994 HydrophobicContact CZ-CG1 4.42Å; F928-V994 HydrophobicContact CZ-CG2 4.46Å; F928-M995 HydrophobicContact CD1-CE 4.12Å; F928-M995 HydrophobicContact CD1-CG 4.42Å; F928-M995 HydrophobicContact CE1-CE 3.66Å; F928-M995 HydrophobicContact CE1-CG 4.24Å
929	V	97.5	Very high	95.3	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-48.1	176.8	167.7	0	0	0	0	111.5	V925 E926 A933 M995 H1005 K1008 F1009	V925-V929 WeakPolarHBondContact O-CG2 3.49Å; V925-V929 PolarHBondContact O-N 2.65Å; E926-V929 WeakPolarHBondContact O-CB 3.38Å; E926-V929 PolarHBondContact O-N 3.39Å; E926-V929 VanDerWaalsContact O-N 3.08Å; V929-A933 VanDerWaalsContact O-CB 3.28Å; V929-A933 WeakPolarHBondContact O-CB 3.07Å; V929-A933 PolarHBondContact O-N 3.42Å; V929-M995 HydrophobicContact CG2-CG 4.03Å; V929-H1005 HydrophobicContact CG2-CB 4.25Å; V929-K1008 HydrophobicContact CG1-CG 4.41Å; V929-F1009 HydrophobicContact CG1-CB 4.01Å
930	Y	97	Very high	95.3	Very high	49 Å²	49	24.7 Å²	24.7	19%	0.192	12%	0.116	C	C	.	.	H	α-helix	trans	-68.2	-49.1	-179.1	-76.7	-79	0	0	0	112.8	D861 L862 E926 R927 F928 A933 G934 K1008 V1012	D861-Y930 VanDerWaalsContact O-CD1 3.31Å; D861-Y930 WeakPolarHBondContact O-CD1 3.38Å; L862-Y930 HydrophobicContact CD2-CD1 4.26Å; L862-Y930 CarbonylContact O-C 3.49Å; E926-Y930 HydrophobicContact CG-CD2 3.84Å; E926-Y930 HydrophobicContact CG-CE2 3.56Å; E926-Y930 VanDerWaalsContact O-CD2 3.25Å; E926-Y930 WeakPolarHBondContact O-CD2 3.42Å; E926-Y930 PolarHBondContact O-N 3.15Å; E926-Y930 VanDerWaalsContact O-N 3.09Å; R927-Y930 PolarHBondContact O-N 3.46Å; F928-Y930 PolarHBondContact O-N 2.67Å; Y930-A933 PolarHBondContact O-N 3.18Å; Y930-G934 PolarHBondContact O-N 3.19Å; Y930-K1008 WeakPolarHBondContact OH-CE 3.34Å; Y930-V1012 HydrophobicContact CD1-CG1 3.89Å; Y930-V1012 HydrophobicContact CD1-CG2 4.09Å; Y930-V1012 HydrophobicContact CE1-CG1 4.22Å; Y930-V1012 HydrophobicContact CE1-CG2 3.67Å
931	S	97.5	Very high	95.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.1	-40.6	179.3	56.7	0	0	0	0	112.5	L862 R927 F928 G934 Y935 N959 L960	L862-S931 VanDerWaalsContact O-CA 3.26Å; L862-S931 WeakPolarHBondContact O-CA 3.37Å; L862-S931 PolarHBondContact O-N 3.05Å; R927-S931 WeakPolarHBondContact O-CB 3.39Å; R927-S931 PolarHBondContact O-N 3.4Å; R927-S931 PolarHBondContact O-OG 2.79Å; F928-S931 PolarHBondContact O-OG 3.35Å; S931-G934 PolarHBondContact O-N 3.05Å; S931-Y935 WeakPolarHBondContact O-CD2 3.21Å; S931-Y935 PolarHBondContact O-N 2.61Å; S931-N959 VanDerWaalsContact CB-OD1 3.25Å; S931-N959 WeakPolarHBondContact CB-OD1 3.43Å; S931-L960 WeakPolarHBondContact CB-O 3.36Å; S931-L960 PolarHBondContact OG-N 3.38Å
932	C	97.2	Very high	95	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.7	-46.9	173	-174.2	0	0	0	0	111.2	F928 G934 Y935 C936 L960 M995 F1009	F928-C932 HydrophobicContact CE1-CB 4.39Å; F928-C932 WeakPolarHBondContact O-CB 3.27Å; F928-C932 PolarHBondContact O-N 3.2Å; C932-G934 PolarHBondContact O-N 3.47Å; C932-Y935 PolarHBondContact O-N 3.44Å; C932-C936 WeakPolarHBondContact O-CB 3.3Å; C932-C936 PolarHBondContact O-N 3.33Å; C932-C936 PolarHBondContact O-SG 3.3Å; C932-L960 HydrophobicContact CB-CD2 3.88Å; C932-M995 HydrophobicContact CB-CE 3.94Å; C932-F1009 HydrophobicContact CB-CE2 4.34Å
933	A	97.4	Very high	94.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.1	-45.7	177	0	0	0	0	0	112.3	V929 Y930 C936 V937 F1009 V1012	V929-A933 VanDerWaalsContact O-CB 3.28Å; V929-A933 WeakPolarHBondContact O-CB 3.07Å; V929-A933 PolarHBondContact O-N 3.42Å; Y930-A933 PolarHBondContact O-N 3.18Å; A933-C936 PolarHBondContact O-N 3.2Å; A933-V937 WeakPolarHBondContact O-CG2 3.5Å; A933-V937 PolarHBondContact O-N 2.93Å; A933-F1009 HydrophobicContact CB-CD2 3.85Å; A933-F1009 HydrophobicContact CB-CE2 3.97Å; A933-V1012 HydrophobicContact CB-CB 4.1Å; A933-V1012 HydrophobicContact CB-CG1 3.57Å
934	G	97	Very high	94.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.3	-49.8	177.2	0	0	0	0	0	112.8	Y930 S931 C932 V937 A938	Y930-G934 PolarHBondContact O-N 3.19Å; S931-G934 PolarHBondContact O-N 3.05Å; C932-G934 PolarHBondContact O-N 3.47Å; G934-V937 PolarHBondContact O-N 3.23Å; G934-A938 VanDerWaalsContact O-CB 3.26Å; G934-A938 WeakPolarHBondContact O-CB 3.43Å; G934-A938 PolarHBondContact O-N 3.45Å
935	Y	96.4	Very high	93.1	Very high	1 Å²	1	12.2 Å²	12.2	0%	0.004	5%	0.053	C	C	.	.	H	α-helix	trans	-69.7	-33.7	178.5	-82.8	-78.3	0	0	0	112.9	L848 L864 L865 S931 C932 T939 L960 F961 H962	L848-Y935 HydrophobicContact CD1-CE1 4.09Å; L864-Y935 HydrophobicContact CB-CE2 4.22Å; L864-Y935 HydrophobicContact CD2-CD1 4.49Å; L864-Y935 HydrophobicContact CD2-CD2 3.57Å; L864-Y935 HydrophobicContact CD2-CE2 3.59Å; L864-Y935 HydrophobicContact CD2-CG 4.03Å; L864-Y935 HydrophobicContact CG-CE2 4.49Å; L865-Y935 PolarHBondContact N-OH 2.76Å; L865-Y935 PolarHBondContact O-OH 3.45Å; L865-Y935 VanDerWaalsContact O-OH 3.14Å; S931-Y935 WeakPolarHBondContact O-CD2 3.21Å; S931-Y935 PolarHBondContact O-N 2.61Å; C932-Y935 PolarHBondContact O-N 3.44Å; Y935-T939 VanDerWaalsContact O-CB 3.29Å; Y935-T939 WeakPolarHBondContact O-CB 3.5Å; Y935-T939 VanDerWaalsContact O-CG2 3.25Å; Y935-T939 WeakPolarHBondContact O-CG2 3.46Å; Y935-T939 PolarHBondContact O-N 3.4Å; Y935-T939 PolarHBondContact O-OG1 2.95Å; Y935-L960 WeakPolarHBondContact CD2-O 3.38Å; Y935-L960 WeakPolarHBondContact CE2-O 3.42Å; Y935-F961 VanDerWaalsContact CE2-CA 3.42Å; Y935-F961 HydrophobicContact CE2-CB 3.63Å; Y935-F961 WeakPolarHBondContact OH-CB 3.48Å; Y935-H962 HydrophobicContact CD1-CB 3.83Å; Y935-H962 AromaticContact CD1-CD2 3.54Å; Y935-H962 AromaticContact CD1-CG 3.75Å; Y935-H962 HydrophobicContact CE1-CB 3.92Å; Y935-H962 AromaticContact CG-CD2 3.63Å
936	C	95.3	Very high	92	Very high	2 Å²	2	13 Å²	13	1%	0.014	6%	0.057	C	C	.	.	H	α-helix	trans	-60.8	-49	172.6	-72.5	0	0	0	0	111.1	C932 A933 T939 F940 F985	C932-C936 WeakPolarHBondContact O-CB 3.3Å; C932-C936 PolarHBondContact O-N 3.33Å; C932-C936 PolarHBondContact O-SG 3.3Å; A933-C936 PolarHBondContact O-N 3.2Å; C936-T939 PolarHBondContact O-OG1 2.84Å; C936-F940 WeakPolarHBondContact O-CB 3.22Å; C936-F940 PolarHBondContact O-N 3.27Å; C936-F940 VanDerWaalsContact O-N 3.09Å; C936-F985 HydrophobicContact CB-CD2 3.71Å; C936-F985 HydrophobicContact CB-CE2 3.94Å; C936-F985 HydrophobicContact CB-CG 4.16Å; C936-F985 VanDerWaalsContact SG-CD2 3.58Å
937	V	96.9	Very high	91.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-65.1	-47.2	178.3	173.5	0	0	0	0	111.1	W855 A933 G934 F940 V941 C1013 A1016 L1020 F1068	W855-V937 HydrophobicContact CZ2-CG1 4.12Å; A933-V937 WeakPolarHBondContact O-CG2 3.5Å; A933-V937 PolarHBondContact O-N 2.93Å; G934-V937 PolarHBondContact O-N 3.23Å; V937-F940 PolarHBondContact O-N 2.8Å; V937-V941 HydrophobicContact CG1-CG2 4.47Å; V937-V941 WeakPolarHBondContact O-CG2 2.98Å; V937-V941 PolarHBondContact O-N 3.1Å; V937-C1013 HydrophobicContact CG2-CB 4.28Å; V937-C1013 WeakPolarHBondContact CG2-O 3.05Å; V937-A1016 HydrophobicContact CB-CB 4.43Å; V937-A1016 HydrophobicContact CG1-CB 4.3Å; V937-A1016 HydrophobicContact CG2-CB 4.04Å; V937-L1020 HydrophobicContact CG1-CD1 3.84Å; V937-F1068 HydrophobicContact CB-CZ 4.35Å; V937-F1068 HydrophobicContact CG2-CE1 4.03Å; V937-F1068 HydrophobicContact CG2-CE2 4.31Å; V937-F1068 HydrophobicContact CG2-CZ 3.56Å
938	A	94.4	Very high	90.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-62.5	-51.7	-179.3	0	0	0	0	0	111.6	L848 M851 W855 G934 F940 V941 L942	L848-A938 HydrophobicContact CD2-CB 3.57Å; M851-A938 HydrophobicContact SD-CB 3.75Å; W855-A938 HydrophobicContact CH2-CB 4.38Å; G934-A938 VanDerWaalsContact O-CB 3.26Å; G934-A938 WeakPolarHBondContact O-CB 3.43Å; G934-A938 PolarHBondContact O-N 3.45Å; A938-F940 VanDerWaalsContact C-N 3.26Å; A938-F940 PolarHBondContact O-N 3.12Å; A938-V941 PolarHBondContact O-N 2.96Å; A938-L942 WeakPolarHBondContact O-CB 3.45Å; A938-L942 WeakPolarHBondContact O-CG 3.29Å; A938-L942 PolarHBondContact O-N 2.79Å
939	T	92	Very high	90.3	Very high	4 Å²	4	5.9 Å²	5.9	3%	0.025	3%	0.027	C	C	.	.	H	α-helix	trans	-64.6	-31.6	-178.7	56.3	0	0	0	0	112.9	Y935 C936 G943 I944	Y935-T939 VanDerWaalsContact O-CB 3.29Å; Y935-T939 WeakPolarHBondContact O-CB 3.5Å; Y935-T939 VanDerWaalsContact O-CG2 3.25Å; Y935-T939 WeakPolarHBondContact O-CG2 3.46Å; Y935-T939 PolarHBondContact O-N 3.4Å; Y935-T939 PolarHBondContact O-OG1 2.95Å; C936-T939 PolarHBondContact O-OG1 2.84Å; T939-G943 WeakPolarHBondContact O-CA 3.39Å; T939-G943 PolarHBondContact O-N 2.82Å; T939-I944 HydrophobicContact CG2-CB 4.18Å; T939-I944 HydrophobicContact CG2-CD1 4.07Å; T939-I944 PolarHBondContact O-N 3.18Å
940	F	92.1	Very high	89.6	Confident	7 Å²	7	9 Å²	9	3%	0.031	4%	0.043	C	C	.	.	H	α-helix	trans	-64.8	-55.5	171.4	177.5	-106.7	0	0	0	112.2	C936 V937 A938 L942 G943 P984 F985 Y1017 Y1050 A1054 Y1067 F1068 Q1071	C936-F940 WeakPolarHBondContact O-CB 3.22Å; C936-F940 PolarHBondContact O-N 3.27Å; C936-F940 VanDerWaalsContact O-N 3.09Å; V937-F940 PolarHBondContact O-N 2.8Å; A938-F940 VanDerWaalsContact C-N 3.26Å; A938-F940 PolarHBondContact O-N 3.12Å; F940-L942 PolarHBondContact O-N 3.46Å; F940-G943 PolarHBondContact O-N 3.18Å; F940-G943 VanDerWaalsContact O-N 3.13Å; F940-P984 HydrophobicContact CD2-CB 3.78Å; F940-P984 HydrophobicContact CE2-CB 3.89Å; F940-F985 HydrophobicContact CB-CD1 3.89Å; F940-F985 HydrophobicContact CD2-CD1 4.1Å; F940-F985 HydrophobicContact CG-CD1 4.25Å; F940-Y1017 HydrophobicContact CD1-CE2 4.44Å; F940-Y1017 HydrophobicContact CE1-CE2 4.14Å; F940-Y1050 PolarHBondContact O-OH 3.05Å; F940-A1054 HydrophobicContact CE1-CB 4.2Å; F940-A1054 WeakPolarHBondContact CE1-O 3.25Å; F940-A1054 HydrophobicContact CZ-CB 4.47Å; F940-Y1067 HydrophobicContact CE1-CE1 4.29Å; F940-Y1067 AromaticContact CZ-CE1 3.77Å; F940-Y1067 HydrophobicContact CZ-CE1 3.77Å; F940-F1068 HydrophobicContact CB-CE2 4.3Å; F940-F1068 AromaticContact CD1-CD2 3.91Å; F940-F1068 HydrophobicContact CD1-CD2 3.91Å; F940-F1068 AromaticContact CD1-CE2 3.48Å; F940-F1068 HydrophobicContact CD1-CE2 3.48Å; F940-F1068 VanDerWaalsContact CD1-CE2 3.48Å; F940-F1068 AromaticContact CE1-CD2 3.93Å; F940-F1068 HydrophobicContact CE1-CD2 3.93Å; F940-F1068 AromaticContact CE1-CE2 3.99Å; F940-F1068 HydrophobicContact CE1-CE2 3.99Å; F940-F1068 AromaticContact CG-CE2 3.98Å; F940-F1068 HydrophobicContact CG-CE2 3.98Å; F940-Q1071 HydrophobicContact CE2-CG 3.97Å; F940-Q1071 HydrophobicContact CZ-CG 4.04Å
941	V	91.3	Very high	89.3	Confident	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.3	-34.7	-178.5	171.2	0	0	0	0	111.3	M851 V937 A938 Y1017 L1020 L1027 I1051 L1055	M851-V941 HydrophobicContact CE-CB 4.35Å; M851-V941 HydrophobicContact CE-CG1 4.01Å; V937-V941 HydrophobicContact CG1-CG2 4.47Å; V937-V941 WeakPolarHBondContact O-CG2 2.98Å; V937-V941 PolarHBondContact O-N 3.1Å; A938-V941 PolarHBondContact O-N 2.96Å; V941-Y1017 HydrophobicContact CG2-CD2 4.24Å; V941-Y1017 HydrophobicContact CG2-CE2 4.35Å; V941-L1020 HydrophobicContact CB-CD1 4.48Å; V941-L1020 HydrophobicContact CG2-CD1 4.08Å; V941-L1027 HydrophobicContact CG1-CD1 4.47Å; V941-I1051 HydrophobicContact CG1-CD1 4.13Å; V941-I1051 HydrophobicContact CG1-CG1 4.17Å; V941-L1055 HydrophobicContact CG1-CD1 4.45Å; V941-L1055 HydrophobicContact CG1-CD2 3.94Å; V941-L1055 HydrophobicContact CG1-CG 4.14Å; V941-L1055 HydrophobicContact CG2-CD2 3.87Å
942	L	87.1	Confident	89.1	Confident	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.9	-179.1	-61.5	-172.3	0	0	0	114.3	I844 I847 L848 M851 A938 F940 I944 L969 F1031	I844-L942 HydrophobicContact CG2-CD1 4.43Å; I847-L942 HydrophobicContact CG2-CD1 4.22Å; I847-L942 HydrophobicContact CG2-CD2 4.01Å; L848-L942 HydrophobicContact CD2-CD1 4.27Å; M851-L942 HydrophobicContact CE-CD1 4.12Å; M851-L942 HydrophobicContact CE-CD2 3.57Å; M851-L942 HydrophobicContact CE-CG 3.75Å; M851-L942 HydrophobicContact SD-CD1 4.47Å; A938-L942 WeakPolarHBondContact O-CB 3.45Å; A938-L942 WeakPolarHBondContact O-CG 3.29Å; A938-L942 PolarHBondContact O-N 2.79Å; F940-L942 PolarHBondContact O-N 3.46Å; L942-I944 HydrophobicContact CB-CD1 3.8Å; L942-I944 HydrophobicContact CB-CG1 3.64Å; L942-I944 HydrophobicContact CD1-CD1 3.77Å; L942-I944 HydrophobicContact CD1-CG1 4.5Å; L942-I944 HydrophobicContact CG-CD1 4.4Å; L942-I944 PolarHBondContact O-N 2.64Å; L942-L969 WeakPolarHBondContact O-CA 3.44Å; L942-L969 PolarHBondContact O-N 3.26Å; L942-F1031 HydrophobicContact CD2-CE1 3.95Å; L942-F1031 HydrophobicContact CD2-CE2 3.43Å; L942-F1031 VanDerWaalsContact CD2-CE2 3.43Å; L942-F1031 HydrophobicContact CD2-CZ 3.05Å; L942-F1031 HydrophobicContact CG-CZ 4.38Å
943	G	85.6	Confident	89	Confident	1 Å²	1	9 Å²	9	1%	0.01	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	38.4	-176.1	0	0	0	0	0	113.1	T939 F940 G945 I968 L969 G970 Y1050	T939-G943 WeakPolarHBondContact O-CA 3.39Å; T939-G943 PolarHBondContact O-N 2.82Å; F940-G943 PolarHBondContact O-N 3.18Å; F940-G943 VanDerWaalsContact O-N 3.13Å; G943-G945 PolarHBondContact O-N 3.14Å; G943-I968 CarbonylContact O-C 3.57Å; G943-L969 PolarHBondContact O-N 3.42Å; G943-L969 VanDerWaalsContact O-N 3.13Å; G943-G970 PolarHBondContact O-N 3.34Å; G943-G970 VanDerWaalsContact O-N 3.16Å; G943-Y1050 VanDerWaalsContact CA-CZ 3.4Å; G943-Y1050 WeakPolarHBondContact CA-OH 3.4Å; G943-Y1050 VanDerWaalsContact N-CE1 3.33Å
944	I	83.7	Confident	89	Confident	6 Å²	6	9 Å²	9	3%	0.031	5%	0.046	C	C	.	.			trans	-73.4	114.7	-177.7	-63.6	169.6	0	0	0	108.6	I844 T939 L942 R947 F965 H967 I968	I844-I944 HydrophobicContact CG2-CD1 3.77Å; T939-I944 HydrophobicContact CG2-CB 4.18Å; T939-I944 HydrophobicContact CG2-CD1 4.07Å; T939-I944 PolarHBondContact O-N 3.18Å; L942-I944 HydrophobicContact CB-CD1 3.8Å; L942-I944 HydrophobicContact CB-CG1 3.64Å; L942-I944 HydrophobicContact CD1-CD1 3.77Å; L942-I944 HydrophobicContact CD1-CG1 4.5Å; L942-I944 HydrophobicContact CG-CD1 4.4Å; L942-I944 PolarHBondContact O-N 2.64Å; I944-R947 HydrophobicContact CG2-CG 4.4Å; I944-R947 WeakPolarHBondContact O-CG 3.37Å; I944-F965 HydrophobicContact CD1-CD1 3.96Å; I944-F965 HydrophobicContact CD1-CE1 4.24Å; I944-F965 HydrophobicContact CG2-CD1 4.06Å; I944-H967 CarbonylContact C-O 3.54Å; I944-H967 WeakPolarHBondContact CA-O 3.37Å; I944-I968 HydrophobicContact CG1-CG2 4.15Å
945	G	73.6	Confident	89	Confident	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.			trans	-95.3	-174.6	-179	0	0	0	0	0	115.3	G943 R947 H967 E981	G943-G945 PolarHBondContact O-N 3.14Å; G945-R947 PolarHBondContact O-N 2.76Å; G945-R947 PolarHBondContact O-NE 3.33Å; G945-R947 PolarHBondContact O-NH2 3.47Å; G945-H967 PolarHBondContact N-O 3.4Å; G945-E981 VanDerWaalsContact CA-CD 3.44Å; G945-E981 WeakPolarHBondContact CA-OE1 3.39Å; G945-E981 WeakPolarHBondContact CA-OE2 3.48Å
946	D	73.6	Confident	88.9	Confident	19 Å²	19	12.3 Å²	12.3	10%	0.102	6%	0.063	C	C	.	.			trans	56	37.3	179.9	-151.3	-8	0	0	0	112	H948 N951 H967 K973 E981 W1086	D946-H948 PolarHBondContact O-CD2 2.76Å; D946-H948 VanDerWaalsContact O-CD2 3.31Å; D946-H948 PolarHBondContact O-N 2.99Å; D946-H948 IonicContact OD1-CD2 3.76Å; D946-H948 PolarHBondContact OD1-CD2 3.48Å; D946-H948 VanDerWaalsContact OD1-CD2 3.25Å; D946-H948 IonicContact OD1-NE2 2.73Å; D946-N951 PolarHBondContact O-ND2 3.06Å; D946-H967 HydrophobicContact CB-CB 4.27Å; D946-H967 IonicContact OD2-CD2 3.32Å; D946-H967 PolarHBondContact OD2-CD2 3.2Å; D946-H967 IonicContact OD2-NE2 2.61Å; D946-K973 IonicContact OD2-NZ 3.75Å; D946-K973 PolarHBondContact OD2-NZ 3.38Å; D946-E981 PolarHBondContact N-OE1 2.97Å; D946-W1086 HydrophobicContact CB-CH2 4.4Å; D946-W1086 WeakPolarHBondContact OD1-CH2 3.24Å; D946-W1086 WeakPolarHBondContact OD1-CZ2 3.45Å; D946-W1086 WeakPolarHBondContact OD1-CZ3 3.46Å
947	R	84.2	Confident	88.8	Confident	12 Å²	12	16 Å²	16	5%	0.045	9%	0.085	C	C	.	.			trans	-87.9	96	-179.8	-60.5	-57.7	87.8	-177.3	3.5	110.3	I944 G945 H962 I963 D964 V986 Q1083	I944-R947 HydrophobicContact CG2-CG 4.4Å; I944-R947 WeakPolarHBondContact O-CG 3.37Å; G945-R947 PolarHBondContact O-N 2.76Å; G945-R947 PolarHBondContact O-NE 3.33Å; G945-R947 PolarHBondContact O-NH2 3.47Å; R947-H962 VanDerWaalsContact CD-ND1 3.33Å; R947-H962 WeakPolarHBondContact CD-ND1 3.34Å; R947-I963 PolarHBondContact NH1-O 2.78Å; R947-D964 PolarHBondContact NH1-O 2.7Å; R947-D964 PolarHBondContact NH2-O 3.38Å; R947-V986 HydrophobicContact CB-CG2 3.36Å; R947-V986 HydrophobicContact CG-CG2 4.4Å; R947-V986 WeakPolarHBondContact O-CG2 3.31Å; R947-Q1083 PolarHBondContact O-NE2 3.33Å; R947-Q1083 VanDerWaalsContact O-NE2 3.16Å
948	H	81.6	Confident	88.7	Confident	16 Å²	16	16 Å²	16	7%	0.074	9%	0.085	C	C	.	.			trans	-121	169.2	173.8	56.1	88.1	0	0	0	111.5	D946 D950 N951 I952 Q1083 W1086	D946-H948 PolarHBondContact O-CD2 2.76Å; D946-H948 VanDerWaalsContact O-CD2 3.31Å; D946-H948 PolarHBondContact O-N 2.99Å; D946-H948 IonicContact OD1-CD2 3.76Å; D946-H948 PolarHBondContact OD1-CD2 3.48Å; D946-H948 VanDerWaalsContact OD1-CD2 3.25Å; D946-H948 IonicContact OD1-NE2 2.73Å; H948-D950 IonicContact CE1-OD2 2.71Å; H948-D950 PolarHBondContact ND1-N 3.19Å; H948-D950 IonicContact ND1-OD2 3.41Å; H948-D950 PolarHBondContact ND1-OD2 3.15Å; H948-D950 PolarHBondContact O-N 3.13Å; H948-N951 PolarHBondContact NE2-ND2 2.85Å; H948-N951 PolarHBondContact O-N 3.06Å; H948-I952 PolarHBondContact O-N 3.26Å; H948-Q1083 VanDerWaalsContact CA-OE1 3.25Å; H948-W1086 HydrophobicContact CB-CB 4.13Å; H948-W1086 HydrophobicContact CB-CD2 4.35Å; H948-W1086 HydrophobicContact CB-CG 4.05Å
949	N	84.7	Confident	88.7	Confident	4 Å²	4	16.9 Å²	16.9	2%	0.021	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.5	-174.7	-74.2	-1.3	0	0	0	115.4	I888 A889 Q1083	I888-N949 HydrophobicContact CB-CB 4.14Å; I888-N949 HydrophobicContact CG2-CB 4.19Å; I888-N949 PolarHBondContact N-O 3.18Å; A889-N949 HydrophobicContact CB-CB 3.87Å; A889-N949 WeakPolarHBondContact CB-O 3.4Å; A889-N949 PolarHBondContact N-O 2.85Å; N949-Q1083 PolarHBondContact OD1-OE1 2.94Å
950	D	84.1	Confident	89	Confident	67 Å²	67	16.8 Å²	16.8	36%	0.358	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-23	172.9	-55.3	-86.2	0	0	0	113.3	T887 A889 H948	T887-D950 WeakPolarHBondContact CG2-O 3.11Å; A889-D950 HydrophobicContact CB-CB 4.37Å; A889-D950 WeakPolarHBondContact CB-OD1 3.46Å; H948-D950 IonicContact CE1-OD2 2.71Å; H948-D950 PolarHBondContact ND1-N 3.19Å; H948-D950 IonicContact ND1-OD2 3.41Å; H948-D950 PolarHBondContact ND1-OD2 3.15Å; H948-D950 PolarHBondContact O-N 3.13Å
951	N	89.3	Confident	89.2	Confident	16 Å²	16	16.5 Å²	16.5	9%	0.086	9%	0.088	C	C	.	.	S	Bend	trans	-97	8.3	180	-68	-9.2	0	0	0	112.7	D946 H948 I963	D946-N951 PolarHBondContact O-ND2 3.06Å; H948-N951 PolarHBondContact NE2-ND2 2.85Å; H948-N951 PolarHBondContact O-N 3.06Å; N951-I963 WeakPolarHBondContact O-CG1 3.29Å; N951-I963 PolarHBondContact O-N 3.01Å
952	I	93.6	Very high	89.4	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.7	175.9	-55.9	174.4	0	0	0	107.5	T887 I888 H948 L960 V986 F991	T887-I952 WeakPolarHBondContact CA-O 3.23Å; I888-I952 HydrophobicContact CG1-CB 4.07Å; I888-I952 HydrophobicContact CG1-CG2 3.85Å; I888-I952 PolarHBondContact N-O 2.85Å; H948-I952 PolarHBondContact O-N 3.26Å; I952-L960 HydrophobicContact CG2-CD1 3.54Å; I952-L960 HydrophobicContact CG2-CD2 4.45Å; I952-L960 HydrophobicContact CG2-CG 4.03Å; I952-V986 HydrophobicContact CD1-CB 3.88Å; I952-V986 HydrophobicContact CD1-CG1 3.69Å; I952-V986 HydrophobicContact CD1-CG2 4.08Å; I952-F991 HydrophobicContact CD1-CZ 4.37Å; I952-F991 HydrophobicContact CG2-CZ 4.16Å
953	M	96.4	Very high	89.6	Confident	32 Å²	32	18.4 Å²	18.4	16%	0.158	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.9	-179.2	-65	-170.5	75.7	0	0	110.5	A885 T886 T887 L960 F961 I963	A885-M953 HydrophobicContact CB-CE 3.94Å; T886-M953 VanDerWaalsContact O-CA 3.31Å; T886-M953 WeakPolarHBondContact O-CA 3.29Å; T887-M953 HydrophobicContact CG2-CE 4.46Å; T887-M953 HydrophobicContact CG2-CG 3.95Å; T887-M953 HydrophobicContact CG2-SD 4.49Å; M953-L960 WeakPolarHBondContact O-CA 3.34Å; M953-F961 HydrophobicContact CB-CD1 4.2Å; M953-F961 HydrophobicContact CB-CD2 4.17Å; M953-F961 HydrophobicContact CB-CE1 3.67Å; M953-F961 HydrophobicContact CB-CE2 3.64Å; M953-F961 HydrophobicContact CB-CG 4.42Å; M953-F961 HydrophobicContact CB-CZ 3.36Å; M953-F961 HydrophobicContact CE-CZ 4.29Å; M953-F961 HydrophobicContact CG-CE2 4.16Å; M953-F961 HydrophobicContact CG-CZ 4.15Å; M953-F961 PolarHBondContact N-O 2.84Å; M953-F961 PolarHBondContact O-N 3.44Å; M953-F961 HydrophobicContact SD-CE2 3.8Å; M953-F961 HydrophobicContact SD-CZ 3.84Å; M953-I963 HydrophobicContact CG-CD1 4.02Å; M953-I963 HydrophobicContact CG-CG1 4.32Å; M953-I963 HydrophobicContact CG-CG2 4.29Å; M953-I963 HydrophobicContact SD-CD1 3.75Å; M953-I963 HydrophobicContact SD-CG1 4.43Å; M953-I963 HydrophobicContact SD-CG2 3.91Å
954	I	97.1	Very high	89.6	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.8	172.4	-168.7	174.1	0	0	0	109.3	A885 T886 I888 I891 L907 W910 L911 F928 N959 L960	A885-I954 VanDerWaalsContact CA-O 3.29Å; A885-I954 WeakPolarHBondContact CA-O 3.21Å; T886-I954 PolarHBondContact N-O 3.09Å; T886-I954 PolarHBondContact O-N 3.19Å; I888-I954 HydrophobicContact CD1-CB 4.09Å; I888-I954 HydrophobicContact CD1-CG2 3.84Å; I891-I954 HydrophobicContact CD1-CG2 3.42Å; I891-I954 VanDerWaalsContact CD1-CG2 3.42Å; L907-I954 HydrophobicContact CD1-CD1 4.16Å; L907-I954 HydrophobicContact CD1-CG2 4.12Å; W910-I954 HydrophobicContact CE3-CG2 4.3Å; W910-I954 HydrophobicContact CH2-CG2 4.05Å; W910-I954 HydrophobicContact CZ3-CG1 4.49Å; W910-I954 HydrophobicContact CZ3-CG2 3.72Å; L911-I954 HydrophobicContact CD1-CD1 4.48Å; F928-I954 HydrophobicContact CD2-CD1 3.67Å; F928-I954 HydrophobicContact CE2-CD1 4Å; I954-N959 CarbonylContact C-O 3.44Å; I954-N959 WeakPolarHBondContact CA-O 3.07Å; I954-L960 HydrophobicContact CB-CD1 4.36Å
955	S	96.1	Very high	89.6	Confident	8 Å²	8	21.5 Å²	21.5	6%	0.056	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	160.4	171.2	71.9	0	0	0	0	112	D884 T957 G958 N959	D884-S955 CarbonylContact O-C 3.57Å; D884-S955 VanDerWaalsContact O-CA 3.23Å; D884-S955 WeakPolarHBondContact O-CA 3.36Å; S955-T957 PolarHBondContact O-N 2.85Å; S955-T957 VanDerWaalsContact O-N 3.1Å; S955-T957 PolarHBondContact OG-N 3.16Å; S955-T957 PolarHBondContact OG-OG1 3.48Å; S955-G958 PolarHBondContact O-N 3.17Å; S955-N959 PolarHBondContact N-O 2.88Å; S955-N959 VanDerWaalsContact OG-CB 3.27Å; S955-N959 WeakPolarHBondContact OG-CB 3.36Å; S955-N959 PolarHBondContact OG-N 2.9Å
956	E	95	Very high	89.3	Confident	64 Å²	64	22.5 Å²	22.5	30%	0.299	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.8	172.8	-67.5	-172.5	174	0	0	113	D884 W910 K914 C915 G958	D884-E956 HydrophobicContact CB-CB 4.28Å; D884-E956 HydrophobicContact CB-CG 3.99Å; D884-E956 WeakPolarHBondContact O-CG 2.93Å; D884-E956 PolarHBondContact O-N 3.36Å; W910-E956 HydrophobicContact CH2-CG 4.09Å; W910-E956 HydrophobicContact CZ2-CG 4.25Å; K914-E956 HydrophobicContact CB-CB 4.25Å; K914-E956 HydrophobicContact CB-CG 4.41Å; K914-E956 HydrophobicContact CD-CG 3.86Å; K914-E956 WeakPolarHBondContact CE-OE1 3.28Å; K914-E956 HydrophobicContact CG-CB 4.39Å; K914-E956 HydrophobicContact CG-CG 4.02Å; K914-E956 IonicContact NZ-OE1 3.87Å; K914-E956 PolarHBondContact NZ-OE1 2.59Å; C915-E956 PolarHBondContact SG-O 3.42Å; C915-E956 VanDerWaalsContact SG-O 3.42Å; E956-G958 VanDerWaalsContact C-N 3.33Å
957	T	93	Very high	89.1	Confident	78 Å²	78	23 Å²	23	48%	0.479	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	6.2	175	57	0	0	0	0	114.2	A924 R927 S955	A924-T957 WeakPolarHBondContact CA-O 3.12Å; R927-T957 PolarHBondContact NH1-O 3.01Å; S955-T957 PolarHBondContact O-N 2.85Å; S955-T957 VanDerWaalsContact O-N 3.1Å; S955-T957 PolarHBondContact OG-N 3.16Å; S955-T957 PolarHBondContact OG-OG1 3.48Å
958	G	94.7	Very high	88.4	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	82.7	12.6	177.7	0	0	0	0	0	115	R927 F928 S955 E956 L960	R927-G958 CarbonylContact C-O 3.54Å; F928-G958 WeakPolarHBondContact CA-O 3.23Å; F928-G958 WeakPolarHBondContact CB-O 3.29Å; F928-G958 PolarHBondContact N-O 3.28Å; F928-G958 VanDerWaalsContact N-O 3.09Å; S955-G958 PolarHBondContact O-N 3.17Å; E956-G958 VanDerWaalsContact C-N 3.33Å; G958-L960 PolarHBondContact O-N 3.32Å
959	N	95.2	Very high	87.6	Confident	20 Å²	20	21.9 Å²	21.9	11%	0.107	12%	0.121	C	C	.	.			trans	-81.5	113.5	177.9	-160.8	-24.4	0	0	0	110.5	C863 R927 S931 I954 S955	C863-N959 PolarHBondContact O-ND2 3.24Å; C863-N959 PolarHBondContact O-OD1 2.7Å; R927-N959 HydrophobicContact CG-CB 4.16Å; S931-N959 VanDerWaalsContact CB-OD1 3.25Å; S931-N959 WeakPolarHBondContact CB-OD1 3.43Å; I954-N959 CarbonylContact C-O 3.44Å; I954-N959 WeakPolarHBondContact CA-O 3.07Å; S955-N959 PolarHBondContact N-O 2.88Å; S955-N959 VanDerWaalsContact OG-CB 3.27Å; S955-N959 WeakPolarHBondContact OG-CB 3.36Å; S955-N959 PolarHBondContact OG-N 2.9Å
960	L	97.2	Very high	86.3	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134.2	175.4	-171.4	80.5	0	0	0	110	I888 F928 S931 C932 Y935 I952 M953 I954 G958 F991	I888-L960 HydrophobicContact CD1-CD1 4.22Å; F928-L960 HydrophobicContact CD2-CB 4.3Å; F928-L960 HydrophobicContact CE2-CB 4.39Å; F928-L960 HydrophobicContact CE2-CD1 4.03Å; S931-L960 WeakPolarHBondContact CB-O 3.36Å; S931-L960 PolarHBondContact OG-N 3.38Å; C932-L960 HydrophobicContact CB-CD2 3.88Å; Y935-L960 WeakPolarHBondContact CD2-O 3.38Å; Y935-L960 WeakPolarHBondContact CE2-O 3.42Å; I952-L960 HydrophobicContact CG2-CD1 3.54Å; I952-L960 HydrophobicContact CG2-CD2 4.45Å; I952-L960 HydrophobicContact CG2-CG 4.03Å; M953-L960 WeakPolarHBondContact O-CA 3.34Å; I954-L960 HydrophobicContact CB-CD1 4.36Å; G958-L960 PolarHBondContact O-N 3.32Å; L960-F991 HydrophobicContact CD1-CZ 4.18Å; L960-F991 HydrophobicContact CD2-CE2 4.12Å; L960-F991 HydrophobicContact CD2-CZ 4.49Å
961	F	96.9	Very high	85.2	Confident	1 Å²	1	22.4 Å²	22.4	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	152.3	173.9	63.9	-80.9	0	0	0	113.3	L865 Y867 V882 A885 Y935 M953 I963	L865-F961 HydrophobicContact CB-CB 3.9Å; L865-F961 HydrophobicContact CB-CG 4.22Å; L865-F961 HydrophobicContact CD1-CD1 4.07Å; L865-F961 HydrophobicContact CD1-CE1 4.35Å; L865-F961 HydrophobicContact CD1-CG 4.45Å; Y867-F961 HydrophobicContact CD1-CD2 4.43Å; V882-F961 HydrophobicContact CB-CE1 4.47Å; V882-F961 HydrophobicContact CB-CE2 4.21Å; V882-F961 HydrophobicContact CB-CZ 3.74Å; V882-F961 HydrophobicContact CG1-CE1 4.01Å; V882-F961 HydrophobicContact CG1-CZ 3.78Å; V882-F961 HydrophobicContact CG2-CE2 3.87Å; V882-F961 HydrophobicContact CG2-CZ 3.91Å; A885-F961 HydrophobicContact CB-CE1 3.78Å; A885-F961 HydrophobicContact CB-CZ 3.69Å; Y935-F961 VanDerWaalsContact CE2-CA 3.42Å; Y935-F961 HydrophobicContact CE2-CB 3.63Å; Y935-F961 WeakPolarHBondContact OH-CB 3.48Å; M953-F961 HydrophobicContact CB-CD1 4.2Å; M953-F961 HydrophobicContact CB-CD2 4.17Å; M953-F961 HydrophobicContact CB-CE1 3.67Å; M953-F961 HydrophobicContact CB-CE2 3.64Å; M953-F961 HydrophobicContact CB-CG 4.42Å; M953-F961 HydrophobicContact CB-CZ 3.36Å; M953-F961 HydrophobicContact CE-CZ 4.29Å; M953-F961 HydrophobicContact CG-CE2 4.16Å; M953-F961 HydrophobicContact CG-CZ 4.15Å; M953-F961 PolarHBondContact N-O 2.84Å; M953-F961 PolarHBondContact O-N 3.44Å; M953-F961 HydrophobicContact SD-CE2 3.8Å; M953-F961 HydrophobicContact SD-CZ 3.84Å; F961-I963 HydrophobicContact CD2-CG2 3.83Å; F961-I963 HydrophobicContact CE2-CG2 3.67Å
962	H	94.4	Very high	84	Confident	4 Å²	4	24 Å²	24	2%	0.019	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	146.3	179.4	-71.4	-137.3	0	0	0	110.1	Y935 R947 F965	Y935-H962 HydrophobicContact CD1-CB 3.83Å; Y935-H962 AromaticContact CD1-CD2 3.54Å; Y935-H962 AromaticContact CD1-CG 3.75Å; Y935-H962 HydrophobicContact CE1-CB 3.92Å; Y935-H962 AromaticContact CG-CD2 3.63Å; R947-H962 VanDerWaalsContact CD-ND1 3.33Å; R947-H962 WeakPolarHBondContact CD-ND1 3.34Å; H962-F965 HydrophobicContact CB-CE1 3.84Å; H962-F965 HydrophobicContact CB-CZ 4.15Å; H962-F965 VanDerWaalsContact O-CZ 3.22Å; H962-F965 WeakPolarHBondContact O-CZ 3.33Å
963	I	92.1	Very high	82.2	Confident	38 Å²	38	28.2 Å²	28.2	20%	0.195	15%	0.152	C	C	.	.			trans	-128.8	167	176.7	61	163.5	0	0	0	110.9	Y867 R947 N951 M953 F961	Y867-I963 HydrophobicContact CD1-CG2 4.49Å; Y867-I963 HydrophobicContact CE1-CB 4.36Å; Y867-I963 HydrophobicContact CE1-CG2 3.72Å; Y867-I963 WeakPolarHBondContact OH-CA 3.45Å; R947-I963 PolarHBondContact NH1-O 2.78Å; N951-I963 WeakPolarHBondContact O-CG1 3.29Å; N951-I963 PolarHBondContact O-N 3.01Å; M953-I963 HydrophobicContact CG-CD1 4.02Å; M953-I963 HydrophobicContact CG-CG1 4.32Å; M953-I963 HydrophobicContact CG-CG2 4.29Å; M953-I963 HydrophobicContact SD-CD1 3.75Å; M953-I963 HydrophobicContact SD-CG1 4.43Å; M953-I963 HydrophobicContact SD-CG2 3.91Å; F961-I963 HydrophobicContact CD2-CG2 3.83Å; F961-I963 HydrophobicContact CE2-CG2 3.67Å
964	D	85.7	Confident	80.1	Confident	72 Å²	72	30.8 Å²	30.8	39%	0.385	17%	0.174	S	C	.	.			trans	55.6	81.9	174.8	-164.2	-4.8	0	0	0	112.8	Y867 R947 G966	Y867-D964 PolarHBondContact OH-N 2.66Å; R947-D964 PolarHBondContact NH1-O 2.7Å; R947-D964 PolarHBondContact NH2-O 3.38Å; D964-G966 PolarHBondContact O-N 2.77Å; D964-G966 VanDerWaalsContact O-N 3.15Å
965	F	83.4	Confident	77.6	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.			trans	-89.8	36.4	-169.4	-60.6	-75.3	0	0	0	114	Q840 D841 I844 L845 L848 Y867 I944 H962 H967	Q840-F965 PolarHBondContact NE2-O 2.92Å; Q840-F965 VanDerWaalsContact NE2-O 3.16Å; D841-F965 PolarHBondContact OD1-N 3.35Å; I844-F965 HydrophobicContact CB-CB 4.05Å; I844-F965 HydrophobicContact CB-CD1 4.49Å; I844-F965 HydrophobicContact CB-CD2 4.27Å; I844-F965 HydrophobicContact CB-CG 4.02Å; I844-F965 HydrophobicContact CG1-CB 4.04Å; I844-F965 HydrophobicContact CG2-CB 4.05Å; I844-F965 HydrophobicContact CG2-CD1 3.61Å; I844-F965 HydrophobicContact CG2-CD2 4.01Å; I844-F965 HydrophobicContact CG2-CE1 3.97Å; I844-F965 HydrophobicContact CG2-CE2 4.35Å; I844-F965 HydrophobicContact CG2-CG 3.61Å; I844-F965 HydrophobicContact CG2-CZ 4.32Å; L845-F965 HydrophobicContact CD2-CE2 3.87Å; L845-F965 HydrophobicContact CG-CD2 4.43Å; L845-F965 HydrophobicContact CG-CE2 3.98Å; L848-F965 HydrophobicContact CD1-CE1 4.49Å; L848-F965 HydrophobicContact CD1-CZ 4.04Å; Y867-F965 HydrophobicContact CE1-CE2 4.2Å; Y867-F965 WeakPolarHBondContact OH-CE2 3.45Å; I944-F965 HydrophobicContact CD1-CD1 3.96Å; I944-F965 HydrophobicContact CD1-CE1 4.24Å; I944-F965 HydrophobicContact CG2-CD1 4.06Å; H962-F965 HydrophobicContact CB-CE1 3.84Å; H962-F965 HydrophobicContact CB-CZ 4.15Å; H962-F965 VanDerWaalsContact O-CZ 3.22Å; H962-F965 WeakPolarHBondContact O-CZ 3.33Å; F965-H967 PolarHBondContact O-N 3.12Å
966	G	67.3	Low	75	Confident	20 Å²	20	39 Å²	39	21%	0.206	21%	0.213	C	C	.	.			trans	-70.7	8.5	-170.5	0	0	0	0	0	117.4	D964 Q1041	D964-G966 PolarHBondContact O-N 2.77Å; D964-G966 VanDerWaalsContact O-N 3.15Å; G966-Q1041 PolarHBondContact O-NE2 3.17Å; G966-Q1041 PolarHBondContact O-OE1 2.84Å
967	H	69.6	Low	72.5	Confident	29 Å²	29	39.6 Å²	39.6	13%	0.134	24%	0.236	C	C	.	.			trans	-148.4	121.4	176.1	-73.7	-70.8	0	0	0	110.5	I944 G945 D946 F965 N971 K973	I944-H967 CarbonylContact C-O 3.54Å; I944-H967 WeakPolarHBondContact CA-O 3.37Å; G945-H967 PolarHBondContact N-O 3.4Å; D946-H967 HydrophobicContact CB-CB 4.27Å; D946-H967 IonicContact OD2-CD2 3.32Å; D946-H967 PolarHBondContact OD2-CD2 3.2Å; D946-H967 IonicContact OD2-NE2 2.61Å; F965-H967 PolarHBondContact O-N 3.12Å; H967-N971 PolarHBondContact ND1-O 3.04Å; H967-K973 WeakPolarHBondContact NE2-CE 3.23Å; H967-K973 PolarHBondContact NE2-NZ 2.92Å
968	I	69.8	Low	70.4	Confident	2 Å²	2	41 Å²	41	1%	0.01	24%	0.24	C	C	.	.			trans	-140.9	165.3	-171.3	64.6	177.5	0	0	0	113.4	Q840 I844 G943 I944 G970 N971 L1042	Q840-I968 HydrophobicContact CG-CD1 4.19Å; I844-I968 HydrophobicContact CD1-CB 4.4Å; I844-I968 HydrophobicContact CD1-CD1 4.07Å; I844-I968 HydrophobicContact CD1-CG2 3.77Å; I844-I968 HydrophobicContact CG1-CG2 3.97Å; G943-I968 CarbonylContact O-C 3.57Å; I944-I968 HydrophobicContact CG1-CG2 4.15Å; I968-G970 PolarHBondContact O-N 3.21Å; I968-N971 WeakPolarHBondContact O-CB 3.39Å; I968-N971 PolarHBondContact O-N 2.9Å; I968-N971 VanDerWaalsContact O-N 3.1Å; I968-L1042 HydrophobicContact CD1-CD1 3.61Å; I968-L1042 HydrophobicContact CD1-CD2 3.53Å; I968-L1042 HydrophobicContact CD1-CG 3.63Å; I968-L1042 HydrophobicContact CG1-CD2 3.66Å; I968-L1042 HydrophobicContact CG1-CG 4.13Å
969	L	63.7	Low	68.6	Low	4 Å²	4	44.3 Å²	44.3	2%	0.021	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	35.6	178.1	-60.1	-174.7	0	0	0	115.2	L942 G943 N971 F1031 L1035 L1042 D1047 Y1050	L942-L969 WeakPolarHBondContact O-CA 3.44Å; L942-L969 PolarHBondContact O-N 3.26Å; G943-L969 PolarHBondContact O-N 3.42Å; G943-L969 VanDerWaalsContact O-N 3.13Å; L969-N971 VanDerWaalsContact C-N 3.3Å; L969-N971 PolarHBondContact O-N 3.32Å; L969-F1031 HydrophobicContact CD1-CD1 3.97Å; L969-F1031 HydrophobicContact CD2-CD1 3.97Å; L969-F1031 HydrophobicContact CD2-CE1 4.16Å; L969-F1031 HydrophobicContact CG-CD1 4.37Å; L969-L1035 HydrophobicContact CD1-CD2 3.66Å; L969-L1042 HydrophobicContact CB-CD2 4.14Å; L969-L1042 HydrophobicContact CD1-CD2 3.28Å; L969-L1042 HydrophobicContact CG-CD2 3.76Å; L969-D1047 HydrophobicContact CB-CB 4.38Å; L969-D1047 HydrophobicContact CD1-CB 4.15Å; L969-D1047 WeakPolarHBondContact CD1-O 3.19Å; L969-Y1050 HydrophobicContact CD2-CD1 4.28Å
970	G	57	Low	66.9	Low	21 Å²	21	46 Å²	46	22%	0.216	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	2.9	176.9	0	0	0	0	0	115.4	G943 I968 Y972	G943-G970 PolarHBondContact O-N 3.34Å; G943-G970 VanDerWaalsContact O-N 3.16Å; I968-G970 PolarHBondContact O-N 3.21Å; G970-Y972 VanDerWaalsContact CA-CE2 3.46Å; G970-Y972 VanDerWaalsContact CA-CZ 3.48Å; G970-Y972 WeakPolarHBondContact O-CD2 3.48Å; G970-Y972 WeakPolarHBondContact O-CE2 3.23Å; G970-Y972 PolarHBondContact O-N 3.33Å
971	N	60.7	Low	65.1	Low	60 Å²	60	47.5 Å²	47.5	32%	0.321	27%	0.271	S	S	.	.			trans	-76.6	68.1	173.7	-78.2	-45.2	0	0	0	111.8	H967 I968 L969 Q1041 D1047	H967-N971 PolarHBondContact ND1-O 3.04Å; I968-N971 WeakPolarHBondContact O-CB 3.39Å; I968-N971 PolarHBondContact O-N 2.9Å; I968-N971 VanDerWaalsContact O-N 3.1Å; L969-N971 VanDerWaalsContact C-N 3.3Å; L969-N971 PolarHBondContact O-N 3.32Å; N971-Q1041 PolarHBondContact ND2-O 2.85Å; N971-D1047 PolarHBondContact ND2-OD1 2.83Å
972	Y	65.3	Low	63.4	Low	49 Å²	49	53.4 Å²	53.4	19%	0.192	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-80	145.1	-177.3	-51.9	-55.1	0	0	0	111.6	G970 S974 N979 E981	G970-Y972 VanDerWaalsContact CA-CE2 3.46Å; G970-Y972 VanDerWaalsContact CA-CZ 3.48Å; G970-Y972 WeakPolarHBondContact O-CD2 3.48Å; G970-Y972 WeakPolarHBondContact O-CE2 3.23Å; G970-Y972 PolarHBondContact O-N 3.33Å; Y972-S974 PolarHBondContact O-N 2.82Å; Y972-S974 VanDerWaalsContact O-N 3.14Å; Y972-N979 WeakPolarHBondContact CB-OD1 3.27Å; Y972-N979 WeakPolarHBondContact CD2-ND2 3.5Å; Y972-E981 HydrophobicContact CD1-CB 4.09Å; Y972-E981 HydrophobicContact CD1-CG 4.16Å; Y972-E981 WeakPolarHBondContact CD1-OE1 3.41Å; Y972-E981 WeakPolarHBondContact CD1-OE2 3.34Å; Y972-E981 HydrophobicContact CD2-CB 4.37Å; Y972-E981 HydrophobicContact CE1-CB 4.32Å; Y972-E981 HydrophobicContact CE1-CG 4.4Å; Y972-E981 WeakPolarHBondContact CE1-OE2 3.39Å; Y972-E981 HydrophobicContact CE2-CB 4.5Å; Y972-E981 HydrophobicContact CG-CB 4.09Å
973	K	56.7	Low	62.1	Low	89 Å²	89	54.3 Å²	54.3	39%	0.387	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-62.9	117.5	170.4	-74.2	179.2	174.2	115.8	0	109.3	D946 H967 K980	D946-K973 IonicContact OD2-NZ 3.75Å; D946-K973 PolarHBondContact OD2-NZ 3.38Å; H967-K973 WeakPolarHBondContact NE2-CE 3.23Å; H967-K973 PolarHBondContact NE2-NZ 2.92Å; K973-K980 HydrophobicContact CB-CD 3.91Å; K973-K980 WeakPolarHBondContact O-CB 3.47Å; K973-K980 WeakPolarHBondContact O-CD 3.45Å; K973-K980 WeakPolarHBondContact O-CG 3.41Å; K973-K980 PolarHBondContact O-N 3.29Å
974	S	51.2	Low	61	Low	87 Å²	87	53.5 Å²	53.5	61%	0.608	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	143.9	168.1	61.7	0	0	0	0	111.3	Y972	Y972-S974 PolarHBondContact O-N 2.82Å; Y972-S974 VanDerWaalsContact O-N 3.14Å
975	F	44.5	Very low	60.9	Low	68 Å²	68	50.5 Å²	50.5	30%	0.298	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.8	168	-178.2	-102.2	0	0	0	109.2	G977 I978 K980 Q1096	F975-G977 PolarHBondContact O-N 3.35Å; F975-I978 PolarHBondContact N-O 3.02Å; F975-I978 PolarHBondContact O-N 2.68Å; F975-K980 HydrophobicContact CB-CG 4.41Å; F975-Q1096 HydrophobicContact CE1-CB 4.17Å; F975-Q1096 HydrophobicContact CZ-CB 4.4Å
976	L	41.5	Very low	60.9	Low	111 Å²	111	50.9 Å²	50.9	58%	0.581	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	34.6	-175.4	-63.7	169.9	0	0	0	114.2	I978	L976-I978 PolarHBondContact O-N 3.03Å
977	G	42.4	Very low	61.9	Low	77 Å²	77	50.2 Å²	50.2	79%	0.794	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	2	-178.6	0	0	0	0	0	115.2	F975	F975-G977 PolarHBondContact O-N 3.35Å
978	I	49.4	Very low	62.8	Low	107 Å²	107	49.1 Å²	49.1	55%	0.549	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.7	174.3	-57.6	175	0	0	0	108.8	F975 L976 K980	F975-I978 PolarHBondContact N-O 3.02Å; F975-I978 PolarHBondContact O-N 2.68Å; L976-I978 PolarHBondContact O-N 3.03Å; I978-K980 PolarHBondContact O-N 3.45Å
979	N	57.3	Low	63.8	Low	71 Å²	71	50 Å²	50	38%	0.38	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	130	174.8	-170.9	-12.4	0	0	0	110.2	Y972 E981	Y972-N979 WeakPolarHBondContact CB-OD1 3.27Å; Y972-N979 WeakPolarHBondContact CD2-ND2 3.5Å; N979-E981 VanDerWaalsContact C-N 3.29Å; N979-E981 PolarHBondContact OD1-N 3.46Å
980	K	57.9	Low	65	Low	56 Å²	56	49.8 Å²	49.8	24%	0.243	27%	0.274	C	S	.	.	S	Bend	trans	-70.9	-25.1	179.4	-76	-176.8	-175.8	-170.5	0	113	K973 F975 I978 W1086	K973-K980 HydrophobicContact CB-CD 3.91Å; K973-K980 WeakPolarHBondContact O-CB 3.47Å; K973-K980 WeakPolarHBondContact O-CD 3.45Å; K973-K980 WeakPolarHBondContact O-CG 3.41Å; K973-K980 PolarHBondContact O-N 3.29Å; F975-K980 HydrophobicContact CB-CG 4.41Å; I978-K980 PolarHBondContact O-N 3.45Å; K980-W1086 HydrophobicContact CD-CH2 4.36Å
981	E	60.1	Low	66.9	Low	31 Å²	31	48.8 Å²	48.8	15%	0.145	26%	0.263	C	S	.	.			trans	-88.1	120.7	177	-93.2	167.3	-122.7	0	0	112	G945 D946 Y972 N979	G945-E981 VanDerWaalsContact CA-CD 3.44Å; G945-E981 WeakPolarHBondContact CA-OE1 3.39Å; G945-E981 WeakPolarHBondContact CA-OE2 3.48Å; D946-E981 PolarHBondContact N-OE1 2.97Å; Y972-E981 HydrophobicContact CD1-CB 4.09Å; Y972-E981 HydrophobicContact CD1-CG 4.16Å; Y972-E981 WeakPolarHBondContact CD1-OE1 3.41Å; Y972-E981 WeakPolarHBondContact CD1-OE2 3.34Å; Y972-E981 HydrophobicContact CD2-CB 4.37Å; Y972-E981 HydrophobicContact CE1-CB 4.32Å; Y972-E981 HydrophobicContact CE1-CG 4.4Å; Y972-E981 WeakPolarHBondContact CE1-OE2 3.39Å; Y972-E981 HydrophobicContact CE2-CB 4.5Å; Y972-E981 HydrophobicContact CG-CB 4.09Å; N979-E981 VanDerWaalsContact C-N 3.29Å; N979-E981 PolarHBondContact OD1-N 3.46Å
982	R	60.5	Low	68.4	Low	125 Å²	125	46.4 Å²	46.4	47%	0.472	25%	0.251	S	S	.	.			trans	-118.3	3.5	-175.7	-59.8	-177.7	178.7	-179	0.4	112.5	V1082	R982-V1082 HydrophobicContact CB-CG2 4.11Å
983	V	67.5	Low	69.8	Low	24 Å²	24	46.4 Å²	46.4	15%	0.145	25%	0.252	C	S	.	.	S	Bend	trans	-136.8	145.7	179.9	-73.3	0	0	0	0	109.5	F985 K1078 V1082	V983-F985 VanDerWaalsContact C-N 3.34Å; V983-K1078 HydrophobicContact CG1-CB 3.65Å; V983-K1078 HydrophobicContact CG1-CG 3.66Å; V983-V1082 HydrophobicContact CB-CG2 4.44Å; V983-V1082 HydrophobicContact CG1-CG2 3.69Å; V983-V1082 HydrophobicContact CG2-CB 4.37Å; V983-V1082 HydrophobicContact CG2-CG1 4.07Å; V983-V1082 HydrophobicContact CG2-CG2 4.01Å
984	P	70.4	Confident	71.6	Confident	21 Å²	21	42.4 Å²	42.4	14%	0.136	24%	0.235	C	C	.	.	S	Bend	trans	-70.8	-26.9	-179	26.8	-34.1	0	0	0	113.6	F940 Q1071 C1075	F940-P984 HydrophobicContact CD2-CB 3.78Å; F940-P984 HydrophobicContact CE2-CB 3.89Å; P984-Q1071 HydrophobicContact CB-CB 4.24Å; P984-Q1071 HydrophobicContact CB-CG 4.45Å; P984-Q1071 HydrophobicContact CG-CB 3.84Å; P984-Q1071 HydrophobicContact CG-CG 4.46Å; P984-C1075 VanDerWaalsContact CD-SG 3.56Å; P984-C1075 VanDerWaalsContact CG-SG 3.56Å
985	F	82.2	Confident	73.7	Confident	9 Å²	9	38.2 Å²	38.2	4%	0.039	21%	0.206	C	C	.	.	S	Bend	trans	-162	174.4	172.9	48.7	-93.9	0	0	0	109.6	C936 F940 V983 L987 F1068 Q1071 I1072 C1075	C936-F985 HydrophobicContact CB-CD2 3.71Å; C936-F985 HydrophobicContact CB-CE2 3.94Å; C936-F985 HydrophobicContact CB-CG 4.16Å; C936-F985 VanDerWaalsContact SG-CD2 3.58Å; F940-F985 HydrophobicContact CB-CD1 3.89Å; F940-F985 HydrophobicContact CD2-CD1 4.1Å; F940-F985 HydrophobicContact CG-CD1 4.25Å; V983-F985 VanDerWaalsContact C-N 3.34Å; F985-L987 HydrophobicContact CD2-CB 4.24Å; F985-L987 HydrophobicContact CE2-CB 4.06Å; F985-L987 HydrophobicContact CE2-CD2 4.45Å; F985-L987 PolarHBondContact O-N 2.92Å; F985-F1068 HydrophobicContact CE1-CZ 4.2Å; F985-Q1071 HydrophobicContact CE1-CB 4Å; F985-I1072 HydrophobicContact CE2-CG1 4.45Å; F985-I1072 HydrophobicContact CZ-CB 4.42Å; F985-I1072 HydrophobicContact CZ-CG1 3.71Å; F985-C1075 HydrophobicContact CE2-CB 4.46Å; F985-C1075 PolarHBondContact O-SG 2.79Å
986	V	83.4	Confident	75.9	Confident	8 Å²	8	37.8 Å²	37.8	5%	0.048	22%	0.22	C	C	.	.			trans	-88.6	109.8	-179.5	-176.5	0	0	0	0	110.7	R947 I952 T988 F991	R947-V986 HydrophobicContact CB-CG2 3.36Å; R947-V986 HydrophobicContact CG-CG2 4.4Å; R947-V986 WeakPolarHBondContact O-CG2 3.31Å; I952-V986 HydrophobicContact CD1-CB 3.88Å; I952-V986 HydrophobicContact CD1-CG1 3.69Å; I952-V986 HydrophobicContact CD1-CG2 4.08Å; V986-T988 HydrophobicContact CG1-CG2 3.87Å; V986-F991 HydrophobicContact CG1-CE2 4.03Å; V986-F991 HydrophobicContact CG1-CZ 4.49Å
987	L	89.3	Confident	77.9	Confident	6 Å²	6	32.7 Å²	32.7	3%	0.031	19%	0.193	C	C	.	.			trans	-135.9	92.2	167.1	178.2	66.4	0	0	0	107.9	F985 F991 L992 M995 F1009 I1072 C1075	F985-L987 HydrophobicContact CD2-CB 4.24Å; F985-L987 HydrophobicContact CE2-CB 4.06Å; F985-L987 HydrophobicContact CE2-CD2 4.45Å; F985-L987 PolarHBondContact O-N 2.92Å; L987-F991 HydrophobicContact CD1-CB 4.18Å; L987-L992 HydrophobicContact CD1-CD2 3.97Å; L987-L992 HydrophobicContact CD1-CG 4.4Å; L987-L992 HydrophobicContact CD2-CD2 4.09Å; L987-L992 HydrophobicContact CG-CD2 4.02Å; L987-L992 HydrophobicContact CG-CG 4.35Å; L987-M995 HydrophobicContact CD1-CE 4.48Å; L987-F1009 HydrophobicContact CD1-CE1 4.35Å; L987-F1009 HydrophobicContact CD1-CZ 4.04Å; L987-F1009 HydrophobicContact CD2-CE1 3.92Å; L987-F1009 HydrophobicContact CD2-CZ 4.15Å; L987-I1072 HydrophobicContact CD2-CG2 3.96Å; L987-C1075 HydrophobicContact CB-CB 3.88Å; L987-C1075 HydrophobicContact CD2-CB 4.41Å
988	T	88.7	Confident	79.7	Confident	5 Å²	5	32.5 Å²	32.5	3%	0.031	18%	0.18	C	C	.	.			trans	-92.7	163.4	-172.1	40	0	0	0	0	112.3	V986 D990 F991 L992 W1080 Q1083	V986-T988 HydrophobicContact CG1-CG2 3.87Å; T988-D990 VanDerWaalsContact C-N 3.25Å; T988-D990 WeakPolarHBondContact CB-OD1 3.19Å; T988-D990 PolarHBondContact O-N 3.19Å; T988-D990 PolarHBondContact OG1-OD1 2.89Å; T988-F991 WeakPolarHBondContact O-CB 3.44Å; T988-F991 PolarHBondContact O-N 3.3Å; T988-F991 WeakPolarHBondContact OG1-CD1 3.49Å; T988-F991 WeakPolarHBondContact OG1-CG 3.47Å; T988-L992 PolarHBondContact O-N 3.11Å; T988-L992 VanDerWaalsContact O-N 3.1Å; T988-W1080 HydrophobicContact CG2-CE3 4.49Å; T988-W1080 HydrophobicContact CG2-CZ3 4.31Å; T988-Q1083 HydrophobicContact CG2-CG 3.63Å
989	P	89.4	Confident	80.8	Confident	20 Å²	20	30 Å²	30	13%	0.13	18%	0.18	C	C	.	.	H	α-helix	trans	-58.2	-32.8	179.6	-29.3	39	0	0	0	114.5	D904 F991 L992 F993 W1080	D904-P989 HydrophobicContact CB-CB 4.43Å; D904-P989 WeakPolarHBondContact OD1-CB 3.41Å; P989-F991 VanDerWaalsContact C-N 3.35Å; P989-L992 PolarHBondContact O-N 3.2Å; P989-F993 WeakPolarHBondContact O-CB 3.22Å; P989-F993 PolarHBondContact O-N 2.92Å; P989-W1080 HydrophobicContact CB-CZ2 4.37Å; P989-W1080 HydrophobicContact CG-CD2 4.23Å; P989-W1080 HydrophobicContact CG-CG 4.03Å
990	D	90.6	Very high	81.5	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.7	-34.1	173.8	59	-15.9	0	0	0	113.2	Q892 D904 L907 T988 F993 V994 W1080	Q892-D990 PolarHBondContact NE2-OD2 3.23Å; Q892-D990 VanDerWaalsContact NE2-OD2 3.16Å; D904-D990 VanDerWaalsContact O-CA 3.25Å; D904-D990 WeakPolarHBondContact O-CA 3.5Å; D904-D990 WeakPolarHBondContact O-CB 3.49Å; L907-D990 HydrophobicContact CB-CB 4.11Å; T988-D990 VanDerWaalsContact C-N 3.25Å; T988-D990 WeakPolarHBondContact CB-OD1 3.19Å; T988-D990 PolarHBondContact O-N 3.19Å; T988-D990 PolarHBondContact OG1-OD1 2.89Å; D990-F993 PolarHBondContact O-N 3Å; D990-V994 WeakPolarHBondContact O-CG2 3.3Å; D990-V994 PolarHBondContact O-N 3.48Å; D990-V994 VanDerWaalsContact O-N 3.16Å; D990-W1080 HydrophobicContact CB-CH2 3.91Å; D990-W1080 HydrophobicContact CB-CZ2 3.83Å; D990-W1080 WeakPolarHBondContact OD1-CH2 3.33Å; D990-W1080 WeakPolarHBondContact OD2-CH2 3.42Å
991	F	94.9	Very high	82.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.8	-43.6	174.5	-64.5	4.1	0	0	0	110.7	I888 L907 F928 I952 L960 V986 L987 T988 P989 F993 V994 M995	I888-F991 HydrophobicContact CD1-CE1 4.14Å; I888-F991 HydrophobicContact CG1-CE1 4.13Å; I888-F991 HydrophobicContact CG1-CZ 4.27Å; I888-F991 HydrophobicContact CG2-CE1 4.28Å; L907-F991 HydrophobicContact CD2-CD1 3.58Å; L907-F991 HydrophobicContact CD2-CE1 3.84Å; F928-F991 HydrophobicContact CE1-CB 4.22Å; F928-F991 HydrophobicContact CE2-CD1 4.47Å; F928-F991 HydrophobicContact CZ-CB 3.79Å; F928-F991 AromaticContact CZ-CD1 3.92Å; F928-F991 HydrophobicContact CZ-CD1 3.92Å; F928-F991 HydrophobicContact CZ-CD2 4.47Å; F928-F991 AromaticContact CZ-CG 3.81Å; F928-F991 HydrophobicContact CZ-CG 3.81Å; I952-F991 HydrophobicContact CD1-CZ 4.37Å; I952-F991 HydrophobicContact CG2-CZ 4.16Å; L960-F991 HydrophobicContact CD1-CZ 4.18Å; L960-F991 HydrophobicContact CD2-CE2 4.12Å; L960-F991 HydrophobicContact CD2-CZ 4.49Å; V986-F991 HydrophobicContact CG1-CE2 4.03Å; V986-F991 HydrophobicContact CG1-CZ 4.49Å; L987-F991 HydrophobicContact CD1-CB 4.18Å; T988-F991 WeakPolarHBondContact O-CB 3.44Å; T988-F991 PolarHBondContact O-N 3.3Å; T988-F991 WeakPolarHBondContact OG1-CD1 3.49Å; T988-F991 WeakPolarHBondContact OG1-CG 3.47Å; P989-F991 VanDerWaalsContact C-N 3.35Å; F991-F993 VanDerWaalsContact C-N 3.25Å; F991-F993 PolarHBondContact O-N 3.04Å; F991-V994 PolarHBondContact O-N 2.83Å; F991-M995 WeakPolarHBondContact O-CG 3.23Å; F991-M995 PolarHBondContact O-N 3.26Å
992	L	93.5	Very high	83.8	Confident	10 Å²	10	40.6 Å²	40.6	5%	0.052	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-37	174.8	-66	175.4	0	0	0	111.6	L987 T988 P989 M995 G996 T997 F1006 R1076	L987-L992 HydrophobicContact CD1-CD2 3.97Å; L987-L992 HydrophobicContact CD1-CG 4.4Å; L987-L992 HydrophobicContact CD2-CD2 4.09Å; L987-L992 HydrophobicContact CG-CD2 4.02Å; L987-L992 HydrophobicContact CG-CG 4.35Å; T988-L992 PolarHBondContact O-N 3.11Å; T988-L992 VanDerWaalsContact O-N 3.1Å; P989-L992 PolarHBondContact O-N 3.2Å; L992-M995 CarbonylContact O-C 3.49Å; L992-M995 WeakPolarHBondContact O-CA 3.47Å; L992-M995 WeakPolarHBondContact O-CB 3.21Å; L992-M995 PolarHBondContact O-N 2.99Å; L992-M995 VanDerWaalsContact O-N 3.11Å; L992-G996 PolarHBondContact O-N 2.96Å; L992-T997 CarbonylContact C-O 3.52Å; L992-T997 VanDerWaalsContact C-O 3.27Å; L992-T997 HydrophobicContact CB-CG2 4.29Å; L992-T997 WeakPolarHBondContact O-CA 3.46Å; L992-T997 WeakPolarHBondContact O-CB 3.27Å; L992-T997 PolarHBondContact O-N 3.41Å; L992-F1006 HydrophobicContact CD2-CD2 3.74Å; L992-F1006 HydrophobicContact CD2-CE2 3.51Å; L992-F1006 HydrophobicContact CD2-CZ 4.42Å; L992-R1076 HydrophobicContact CD1-CG 3.93Å
993	F	94.3	Very high	85.3	Confident	50 Å²	50	35.2 Å²	35.2	22%	0.219	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-41.1	178.6	-164.2	-83.2	0	0	0	112.3	D904 E905 N908 P989 D990 F991 M995 G996 T997	D904-F993 HydrophobicContact CB-CB 4.37Å; D904-F993 HydrophobicContact CB-CD2 4.2Å; D904-F993 HydrophobicContact CB-CG 4.48Å; D904-F993 WeakPolarHBondContact O-CB 3.44Å; E905-F993 HydrophobicContact CB-CD1 4.49Å; E905-F993 HydrophobicContact CB-CE1 4.09Å; E905-F993 HydrophobicContact CB-CZ 4.15Å; E905-F993 HydrophobicContact CG-CD2 4.29Å; E905-F993 HydrophobicContact CG-CE1 4.08Å; E905-F993 HydrophobicContact CG-CE2 3.74Å; E905-F993 HydrophobicContact CG-CZ 3.63Å; N908-F993 HydrophobicContact CB-CD1 3.64Å; N908-F993 HydrophobicContact CB-CE1 4.02Å; P989-F993 WeakPolarHBondContact O-CB 3.22Å; P989-F993 PolarHBondContact O-N 2.92Å; D990-F993 PolarHBondContact O-N 3Å; F991-F993 VanDerWaalsContact C-N 3.25Å; F991-F993 PolarHBondContact O-N 3.04Å; F993-M995 PolarHBondContact O-N 3.47Å; F993-G996 WeakPolarHBondContact O-CA 3.4Å; F993-G996 PolarHBondContact O-N 3.2Å; F993-T997 WeakPolarHBondContact CA-O 3.49Å; F993-T997 PolarHBondContact N-O 3.16Å
994	V	94.7	Very high	86.5	Confident	4 Å²	4	39 Å²	39	2%	0.024	24%	0.237	C	C	.	.	H	α-helix	trans	-58.6	-35.1	171.6	176.1	0	0	0	0	111.1	L907 N908 L911 V925 F928 D990 F991 G996	L907-V994 HydrophobicContact CB-CG2 4.19Å; L907-V994 HydrophobicContact CD2-CG2 3.91Å; L907-V994 HydrophobicContact CG-CG2 3.86Å; N908-V994 HydrophobicContact CB-CG2 3.94Å; L911-V994 HydrophobicContact CD2-CG1 4.27Å; V925-V994 HydrophobicContact CG1-CG1 4.49Å; V925-V994 HydrophobicContact CG2-CG1 4.32Å; F928-V994 HydrophobicContact CB-CG1 4.32Å; F928-V994 HydrophobicContact CD1-CB 4Å; F928-V994 HydrophobicContact CD1-CG1 3.46Å; F928-V994 VanDerWaalsContact CD1-CG1 3.46Å; F928-V994 HydrophobicContact CD2-CG1 4.46Å; F928-V994 HydrophobicContact CE1-CB 3.78Å; F928-V994 HydrophobicContact CE1-CG1 3.8Å; F928-V994 HydrophobicContact CE1-CG2 4.46Å; F928-V994 HydrophobicContact CG-CG1 3.83Å; F928-V994 HydrophobicContact CZ-CB 4.26Å; F928-V994 HydrophobicContact CZ-CG1 4.42Å; F928-V994 HydrophobicContact CZ-CG2 4.46Å; D990-V994 WeakPolarHBondContact O-CG2 3.3Å; D990-V994 PolarHBondContact O-N 3.48Å; D990-V994 VanDerWaalsContact O-N 3.16Å; F991-V994 PolarHBondContact O-N 2.83Å; V994-G996 PolarHBondContact O-N 3.46Å
995	M	95	Very high	87.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	13	173.7	-55.5	-179.7	-165.6	0	0	113.1	F928 V929 C932 L987 F991 L992 F993 T997 S1003 H1005 F1006 F1009	F928-M995 HydrophobicContact CD1-CE 4.12Å; F928-M995 HydrophobicContact CD1-CG 4.42Å; F928-M995 HydrophobicContact CE1-CE 3.66Å; F928-M995 HydrophobicContact CE1-CG 4.24Å; V929-M995 HydrophobicContact CG2-CG 4.03Å; C932-M995 HydrophobicContact CB-CE 3.94Å; L987-M995 HydrophobicContact CD1-CE 4.48Å; F991-M995 WeakPolarHBondContact O-CG 3.23Å; F991-M995 PolarHBondContact O-N 3.26Å; L992-M995 CarbonylContact O-C 3.49Å; L992-M995 WeakPolarHBondContact O-CA 3.47Å; L992-M995 WeakPolarHBondContact O-CB 3.21Å; L992-M995 PolarHBondContact O-N 2.99Å; L992-M995 VanDerWaalsContact O-N 3.11Å; F993-M995 PolarHBondContact O-N 3.47Å; M995-T997 VanDerWaalsContact C-N 3.28Å; M995-T997 PolarHBondContact O-N 3.21Å; M995-S1003 WeakPolarHBondContact O-CB 3.49Å; M995-S1003 PolarHBondContact O-OG 2.98Å; M995-H1005 HydrophobicContact CB-CB 4.15Å; M995-H1005 WeakPolarHBondContact O-CB 3.49Å; M995-F1006 HydrophobicContact SD-CD2 4.32Å; M995-F1009 HydrophobicContact CE-CB 4.4Å; M995-F1009 HydrophobicContact CE-CD2 3.54Å; M995-F1009 HydrophobicContact CE-CE2 3.91Å; M995-F1009 HydrophobicContact CE-CG 3.97Å; M995-F1009 HydrophobicContact SD-CB 3.73Å; M995-F1009 HydrophobicContact SD-CD1 4.26Å; M995-F1009 HydrophobicContact SD-CD2 3.95Å; M995-F1009 HydrophobicContact SD-CG 3.71Å
996	G	90.1	Very high	88.2	Confident	58 Å²	58	40.8 Å²	40.8	60%	0.598	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	22.8	178.8	0	0	0	0	0	114.4	L992 F993 V994 S1003	L992-G996 PolarHBondContact O-N 2.96Å; F993-G996 WeakPolarHBondContact O-CA 3.4Å; F993-G996 PolarHBondContact O-N 3.2Å; V994-G996 PolarHBondContact O-N 3.46Å; G996-S1003 WeakPolarHBondContact O-CB 3.26Å
997	T	84.3	Confident	88.7	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.025	26%	0.264	C	S	.	.			trans	-110.4	124.8	179.1	-67.3	0	0	0	0	110.8	L992 F993 M995 K1001 S1003 F1006	L992-T997 CarbonylContact C-O 3.52Å; L992-T997 VanDerWaalsContact C-O 3.27Å; L992-T997 HydrophobicContact CB-CG2 4.29Å; L992-T997 WeakPolarHBondContact O-CA 3.46Å; L992-T997 WeakPolarHBondContact O-CB 3.27Å; L992-T997 PolarHBondContact O-N 3.41Å; F993-T997 WeakPolarHBondContact CA-O 3.49Å; F993-T997 PolarHBondContact N-O 3.16Å; M995-T997 VanDerWaalsContact C-N 3.28Å; M995-T997 PolarHBondContact O-N 3.21Å; T997-K1001 WeakPolarHBondContact CG2-O 3.35Å; T997-S1003 PolarHBondContact OG1-OG 3.07Å; T997-F1006 WeakPolarHBondContact OG1-CB 3.29Å
998	S	81.2	Confident	89	Confident	73 Å²	73	48.5 Å²	48.5	51%	0.51	28%	0.277	S	S	.	.			trans	-124.2	130.5	169.5	-179.4	0	0	0	0	109.9
999	G	70.9	Confident	89.4	Confident	54 Å²	54	48.2 Å²	48.2	56%	0.557	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	-138.7	-171.9	0	0	0	0	0	112.8
1000	K	73.4	Confident	89.8	Confident	134 Å²	134	49.1 Å²	49.1	58%	0.583	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	7	-179.4	-66.9	-160.2	172.6	-158.6	0	114.9	R1076 D1077	K1000-R1076 VanDerWaalsContact C-NH1 3.33Å; K1000-R1076 PolarHBondContact O-NH1 2.82Å; K1000-D1077 WeakPolarHBondContact CE-OD1 3.47Å; K1000-D1077 IonicContact NZ-OD1 3.39Å; K1000-D1077 PolarHBondContact NZ-OD1 3.32Å; K1000-D1077 IonicContact NZ-OD2 3.66Å
1001	K	80.8	Confident	90	Very high	166 Å²	166	52.5 Å²	52.5	72%	0.722	30%	0.296	S	S	*	.			trans	-68.6	149	178.9	-65.9	-178.6	-179.5	177.5	0	109.9	T997	T997-K1001 WeakPolarHBondContact CG2-O 3.35Å
1002	T	83.9	Confident	90.1	Very high	82 Å²	82	52.6 Å²	52.6	50%	0.503	30%	0.296	S	S	.	.			trans	-93.3	152.6	172.1	-172.4	0	0	0	0	109.4	Q1007	T1002-Q1007 WeakPolarHBondContact OG1-CG 3.44Å; T1002-Q1007 PolarHBondContact OG1-NE2 3.32Å; T1002-Q1007 VanDerWaalsContact OG1-NE2 3.16Å
1003	S	92.1	Very high	90.3	Very high	11 Å²	11	52.1 Å²	52.1	8%	0.077	29%	0.294	C	S	.	.			trans	-132.6	160.7	173.9	77.4	0	0	0	0	109.9	M995 G996 T997 H1005 F1006 Q1007	M995-S1003 WeakPolarHBondContact O-CB 3.49Å; M995-S1003 PolarHBondContact O-OG 2.98Å; G996-S1003 WeakPolarHBondContact O-CB 3.26Å; T997-S1003 PolarHBondContact OG1-OG 3.07Å; S1003-H1005 VanDerWaalsContact C-N 3.32Å; S1003-H1005 PolarHBondContact O-N 3.02Å; S1003-F1006 PolarHBondContact O-N 3.13Å; S1003-F1006 VanDerWaalsContact OG-CB 3.29Å; S1003-F1006 WeakPolarHBondContact OG-CB 3.39Å; S1003-F1006 PolarHBondContact OG-N 3.49Å; S1003-Q1007 WeakPolarHBondContact O-CG 3.39Å; S1003-Q1007 PolarHBondContact O-N 2.97Å
1004	P	93.1	Very high	90.5	Very high	105 Å²	105	50.3 Å²	50.3	68%	0.682	29%	0.287	S	S	*	.	H	α-helix	trans	-56.8	-41.9	174.8	-26.3	35.5	0	0	0	113.4	Q1007 K1008	P1004-Q1007 PolarHBondContact O-N 3.18Å; P1004-K1008 WeakPolarHBondContact O-CB 3.37Å; P1004-K1008 PolarHBondContact O-N 3.49Å
1005	H	93.6	Very high	90.6	Very high	64 Å²	64	55.3 Å²	55.3	30%	0.296	31%	0.306	S	S	.	.	H	α-helix	trans	-67.1	-36.6	176.7	-69.3	-65.3	0	0	0	112.3	V929 M995 S1003 K1008 F1009	V929-H1005 HydrophobicContact CG2-CB 4.25Å; M995-H1005 HydrophobicContact CB-CB 4.15Å; M995-H1005 WeakPolarHBondContact O-CB 3.49Å; S1003-H1005 VanDerWaalsContact C-N 3.32Å; S1003-H1005 PolarHBondContact O-N 3.02Å; H1005-K1008 PolarHBondContact O-N 3.46Å; H1005-F1009 WeakPolarHBondContact O-CB 3.48Å; H1005-F1009 PolarHBondContact O-N 3.24Å
1006	F	94.4	Very high	90.7	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.009	31%	0.306	C	S	.	.	H	α-helix	trans	-70.4	-39	176.6	-177	-111.4	0	0	0	112.3	L992 M995 T997 S1003 K1008 F1009 Q1010 I1072	L992-F1006 HydrophobicContact CD2-CD2 3.74Å; L992-F1006 HydrophobicContact CD2-CE2 3.51Å; L992-F1006 HydrophobicContact CD2-CZ 4.42Å; M995-F1006 HydrophobicContact SD-CD2 4.32Å; T997-F1006 WeakPolarHBondContact OG1-CB 3.29Å; S1003-F1006 PolarHBondContact O-N 3.13Å; S1003-F1006 VanDerWaalsContact OG-CB 3.29Å; S1003-F1006 WeakPolarHBondContact OG-CB 3.39Å; S1003-F1006 PolarHBondContact OG-N 3.49Å; F1006-K1008 VanDerWaalsContact C-N 3.29Å; F1006-K1008 PolarHBondContact O-N 3.15Å; F1006-F1009 HydrophobicContact CD2-CD1 4.02Å; F1006-F1009 AromaticContact CE2-CD1 3.93Å; F1006-F1009 HydrophobicContact CE2-CD1 3.93Å; F1006-F1009 HydrophobicContact CE2-CE1 4.26Å; F1006-F1009 WeakPolarHBondContact O-CB 3.36Å; F1006-F1009 PolarHBondContact O-N 2.95Å; F1006-Q1010 HydrophobicContact CD1-CG 4.49Å; F1006-Q1010 HydrophobicContact CE1-CG 4.12Å; F1006-Q1010 HydrophobicContact CE2-CG 4.46Å; F1006-Q1010 HydrophobicContact CZ-CG 4.1Å; F1006-Q1010 WeakPolarHBondContact O-CG 3.33Å; F1006-Q1010 PolarHBondContact O-N 3.01Å; F1006-I1072 HydrophobicContact CE2-CG2 4.37Å; F1006-I1072 HydrophobicContact CZ-CG2 4.03Å
1007	Q	94.9	Very high	91.1	Very high	105 Å²	105	52.6 Å²	52.6	49%	0.491	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-40.6	171.7	-70.2	175.4	6	0	0	111.1	T1002 S1003 P1004 Q1010 D1011	T1002-Q1007 WeakPolarHBondContact OG1-CG 3.44Å; T1002-Q1007 PolarHBondContact OG1-NE2 3.32Å; T1002-Q1007 VanDerWaalsContact OG1-NE2 3.16Å; S1003-Q1007 WeakPolarHBondContact O-CG 3.39Å; S1003-Q1007 PolarHBondContact O-N 2.97Å; P1004-Q1007 PolarHBondContact O-N 3.18Å; Q1007-Q1010 PolarHBondContact O-N 3.13Å; Q1007-D1011 PolarHBondContact O-N 3.43Å
1008	K	95.9	Very high	91.7	Very high	71 Å²	71	53.7 Å²	53.7	31%	0.309	28%	0.283	S	S	.	.	H	α-helix	trans	-63	-43.3	174.4	-175.2	58.3	-177.3	167.4	0	111.8	V929 Y930 P1004 H1005 F1006 Q1010 D1011 V1012	V929-K1008 HydrophobicContact CG1-CG 4.41Å; Y930-K1008 WeakPolarHBondContact OH-CE 3.34Å; P1004-K1008 WeakPolarHBondContact O-CB 3.37Å; P1004-K1008 PolarHBondContact O-N 3.49Å; H1005-K1008 PolarHBondContact O-N 3.46Å; F1006-K1008 VanDerWaalsContact C-N 3.29Å; F1006-K1008 PolarHBondContact O-N 3.15Å; K1008-Q1010 PolarHBondContact O-N 3.21Å; K1008-D1011 IonicContact NZ-OD2 2.72Å; K1008-D1011 PolarHBondContact NZ-OD2 3.36Å; K1008-D1011 PolarHBondContact O-N 3.15Å; K1008-V1012 HydrophobicContact CD-CG2 4.17Å; K1008-V1012 HydrophobicContact CG-CG2 4.35Å; K1008-V1012 WeakPolarHBondContact O-CB 3.45Å; K1008-V1012 VanDerWaalsContact O-CG2 3.23Å; K1008-V1012 WeakPolarHBondContact O-CG2 3.47Å; K1008-V1012 PolarHBondContact O-N 2.77Å
1009	F	96.9	Very high	92.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.5	-46.9	173.2	166.9	-96.7	0	0	0	111.9	V929 C932 A933 L987 M995 H1005 F1006 V1012 C1013 I1072	V929-F1009 HydrophobicContact CG1-CB 4.01Å; C932-F1009 HydrophobicContact CB-CE2 4.34Å; A933-F1009 HydrophobicContact CB-CD2 3.85Å; A933-F1009 HydrophobicContact CB-CE2 3.97Å; L987-F1009 HydrophobicContact CD1-CE1 4.35Å; L987-F1009 HydrophobicContact CD1-CZ 4.04Å; L987-F1009 HydrophobicContact CD2-CE1 3.92Å; L987-F1009 HydrophobicContact CD2-CZ 4.15Å; M995-F1009 HydrophobicContact CE-CB 4.4Å; M995-F1009 HydrophobicContact CE-CD2 3.54Å; M995-F1009 HydrophobicContact CE-CE2 3.91Å; M995-F1009 HydrophobicContact CE-CG 3.97Å; M995-F1009 HydrophobicContact SD-CB 3.73Å; M995-F1009 HydrophobicContact SD-CD1 4.26Å; M995-F1009 HydrophobicContact SD-CD2 3.95Å; M995-F1009 HydrophobicContact SD-CG 3.71Å; H1005-F1009 WeakPolarHBondContact O-CB 3.48Å; H1005-F1009 PolarHBondContact O-N 3.24Å; F1006-F1009 HydrophobicContact CD2-CD1 4.02Å; F1006-F1009 AromaticContact CE2-CD1 3.93Å; F1006-F1009 HydrophobicContact CE2-CD1 3.93Å; F1006-F1009 HydrophobicContact CE2-CE1 4.26Å; F1006-F1009 WeakPolarHBondContact O-CB 3.36Å; F1006-F1009 PolarHBondContact O-N 2.95Å; F1009-V1012 PolarHBondContact O-N 3.36Å; F1009-C1013 VanDerWaalsContact CZ-SG 3.53Å; F1009-C1013 VanDerWaalsContact O-CB 3.29Å; F1009-C1013 WeakPolarHBondContact O-CB 3.41Å; F1009-C1013 PolarHBondContact O-N 3.49Å; F1009-C1013 PolarHBondContact O-SG 3.09Å; F1009-I1072 HydrophobicContact CE1-CD1 4.32Å; F1009-I1072 HydrophobicContact CE1-CG2 4.29Å
1010	Q	96.3	Very high	93.6	Very high	38 Å²	38	47.8 Å²	47.8	18%	0.178	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-45	177.7	-70.8	179.5	-57	0	0	112.1	F1006 Q1007 K1008 C1013 V1014 L1069 I1072	F1006-Q1010 HydrophobicContact CD1-CG 4.49Å; F1006-Q1010 HydrophobicContact CE1-CG 4.12Å; F1006-Q1010 HydrophobicContact CE2-CG 4.46Å; F1006-Q1010 HydrophobicContact CZ-CG 4.1Å; F1006-Q1010 WeakPolarHBondContact O-CG 3.33Å; F1006-Q1010 PolarHBondContact O-N 3.01Å; Q1007-Q1010 PolarHBondContact O-N 3.13Å; K1008-Q1010 PolarHBondContact O-N 3.21Å; Q1010-C1013 WeakPolarHBondContact O-CB 3.39Å; Q1010-C1013 PolarHBondContact O-N 2.86Å; Q1010-V1014 WeakPolarHBondContact O-CG2 3.42Å; Q1010-V1014 PolarHBondContact O-N 3.09Å; Q1010-L1069 HydrophobicContact CB-CD2 4.21Å; Q1010-L1069 HydrophobicContact CG-CD2 4.45Å; Q1010-I1072 HydrophobicContact CG-CD1 4.35Å
1011	D	96.5	Very high	94.6	Very high	72 Å²	72	42.9 Å²	42.9	39%	0.385	21%	0.211	S	C	.	.	H	α-helix	trans	-58.9	-49.1	175.4	173.3	62.2	0	0	0	111.9	Q1007 K1008 C1013 V1014 R1015	Q1007-D1011 PolarHBondContact O-N 3.43Å; K1008-D1011 IonicContact NZ-OD2 2.72Å; K1008-D1011 PolarHBondContact NZ-OD2 3.36Å; K1008-D1011 PolarHBondContact O-N 3.15Å; D1011-C1013 PolarHBondContact O-N 3.04Å; D1011-V1014 PolarHBondContact O-N 3.23Å; D1011-R1015 WeakPolarHBondContact O-CG 3.35Å; D1011-R1015 PolarHBondContact O-N 3.42Å
1012	V	97	Very high	95.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-45.4	179.2	174	0	0	0	0	110.9	L862 Y930 A933 K1008 F1009 V1014 R1015 A1016	L862-V1012 HydrophobicContact CD2-CG1 3.39Å; Y930-V1012 HydrophobicContact CD1-CG1 3.89Å; Y930-V1012 HydrophobicContact CD1-CG2 4.09Å; Y930-V1012 HydrophobicContact CE1-CG1 4.22Å; Y930-V1012 HydrophobicContact CE1-CG2 3.67Å; A933-V1012 HydrophobicContact CB-CB 4.1Å; A933-V1012 HydrophobicContact CB-CG1 3.57Å; K1008-V1012 HydrophobicContact CD-CG2 4.17Å; K1008-V1012 HydrophobicContact CG-CG2 4.35Å; K1008-V1012 WeakPolarHBondContact O-CB 3.45Å; K1008-V1012 VanDerWaalsContact O-CG2 3.23Å; K1008-V1012 WeakPolarHBondContact O-CG2 3.47Å; K1008-V1012 PolarHBondContact O-N 2.77Å; F1009-V1012 PolarHBondContact O-N 3.36Å; V1012-V1014 PolarHBondContact O-N 3.38Å; V1012-R1015 PolarHBondContact O-N 2.94Å; V1012-A1016 WeakPolarHBondContact O-CB 3.41Å; V1012-A1016 PolarHBondContact O-N 2.98Å
1013	C	97.6	Very high	95.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.7	-49	174.6	-88.6	0	0	0	0	112.5	V937 F1009 Q1010 D1011 A1016 Y1017 F1068 I1072	V937-C1013 HydrophobicContact CG2-CB 4.28Å; V937-C1013 WeakPolarHBondContact CG2-O 3.05Å; F1009-C1013 VanDerWaalsContact CZ-SG 3.53Å; F1009-C1013 VanDerWaalsContact O-CB 3.29Å; F1009-C1013 WeakPolarHBondContact O-CB 3.41Å; F1009-C1013 PolarHBondContact O-N 3.49Å; F1009-C1013 PolarHBondContact O-SG 3.09Å; Q1010-C1013 WeakPolarHBondContact O-CB 3.39Å; Q1010-C1013 PolarHBondContact O-N 2.86Å; D1011-C1013 PolarHBondContact O-N 3.04Å; C1013-A1016 PolarHBondContact O-N 3.33Å; C1013-Y1017 VanDerWaalsContact O-CB 3.27Å; C1013-Y1017 WeakPolarHBondContact O-CB 3.4Å; C1013-Y1017 PolarHBondContact O-N 3.45Å; C1013-F1068 HydrophobicContact CB-CD1 4.38Å; C1013-F1068 HydrophobicContact CB-CE1 3.76Å; C1013-I1072 HydrophobicContact CB-CD1 4.09Å
1014	V	97.4	Very high	95.6	Very high	13 Å²	13	38.7 Å²	38.7	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-47	179.7	167.9	0	0	0	0	110.8	Q1010 D1011 V1012 A1016 Y1017 L1018 K1065 L1069	Q1010-V1014 WeakPolarHBondContact O-CG2 3.42Å; Q1010-V1014 PolarHBondContact O-N 3.09Å; D1011-V1014 PolarHBondContact O-N 3.23Å; V1012-V1014 PolarHBondContact O-N 3.38Å; V1014-A1016 PolarHBondContact O-N 3.39Å; V1014-Y1017 PolarHBondContact O-N 2.75Å; V1014-L1018 HydrophobicContact CG1-CD1 3.94Å; V1014-L1018 HydrophobicContact CG1-CG 4.35Å; V1014-L1018 WeakPolarHBondContact O-CB 3.1Å; V1014-L1018 WeakPolarHBondContact O-CG 3.38Å; V1014-L1018 PolarHBondContact O-N 3.34Å; V1014-K1065 HydrophobicContact CG1-CB 4.2Å; V1014-K1065 HydrophobicContact CG1-CD 3.93Å; V1014-K1065 HydrophobicContact CG1-CG 3.69Å; V1014-K1065 HydrophobicContact CG2-CG 4.13Å; V1014-L1069 HydrophobicContact CG2-CD1 4.45Å; V1014-L1069 HydrophobicContact CG2-CD2 3.82Å; V1014-L1069 HydrophobicContact CG2-CG 3.96Å
1015	R	96.9	Very high	95.5	Very high	109 Å²	109	36.7 Å²	36.7	41%	0.411	17%	0.172	S	C	.	.	H	α-helix	trans	-60.6	-45.7	178.5	-73.3	-175.9	63	-169	-5.9	111.8	L860 D1011 V1012 L1018 A1019	L860-R1015 HydrophobicContact CD1-CB 3.97Å; L860-R1015 HydrophobicContact CD2-CB 4.44Å; L860-R1015 VanDerWaalsContact CD2-CZ 3.42Å; L860-R1015 VanDerWaalsContact CD2-NH2 3.34Å; D1011-R1015 WeakPolarHBondContact O-CG 3.35Å; D1011-R1015 PolarHBondContact O-N 3.42Å; V1012-R1015 PolarHBondContact O-N 2.94Å; R1015-L1018 PolarHBondContact O-N 3.28Å; R1015-A1019 WeakPolarHBondContact O-CB 3.39Å; R1015-A1019 PolarHBondContact O-N 3.05Å
1016	A	97.6	Very high	95.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-43.6	177.3	0	0	0	0	0	112.5	W855 L862 V937 V1012 C1013 V1014 L1020	W855-A1016 HydrophobicContact CZ2-CB 4.24Å; W855-A1016 PolarHBondContact NE1-O 3.02Å; L862-A1016 HydrophobicContact CD1-CB 3.3Å; L862-A1016 HydrophobicContact CD2-CB 4.45Å; L862-A1016 HydrophobicContact CG-CB 4.47Å; V937-A1016 HydrophobicContact CB-CB 4.43Å; V937-A1016 HydrophobicContact CG1-CB 4.3Å; V937-A1016 HydrophobicContact CG2-CB 4.04Å; V1012-A1016 WeakPolarHBondContact O-CB 3.41Å; V1012-A1016 PolarHBondContact O-N 2.98Å; C1013-A1016 PolarHBondContact O-N 3.33Å; V1014-A1016 PolarHBondContact O-N 3.39Å; A1016-L1020 WeakPolarHBondContact O-CG 3.42Å; A1016-L1020 PolarHBondContact O-N 3.16Å; A1016-L1020 VanDerWaalsContact O-N 3.15Å
1017	Y	97.8	Very high	95.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-47	177.7	176.1	-113.5	0	0	0	111.9	F940 V941 C1013 V1014 A1019 L1020 R1021 A1054 L1055 T1056 A1064 F1068	F940-Y1017 HydrophobicContact CD1-CE2 4.44Å; F940-Y1017 HydrophobicContact CE1-CE2 4.14Å; V941-Y1017 HydrophobicContact CG2-CD2 4.24Å; V941-Y1017 HydrophobicContact CG2-CE2 4.35Å; C1013-Y1017 VanDerWaalsContact O-CB 3.27Å; C1013-Y1017 WeakPolarHBondContact O-CB 3.4Å; C1013-Y1017 PolarHBondContact O-N 3.45Å; V1014-Y1017 PolarHBondContact O-N 2.75Å; Y1017-A1019 PolarHBondContact O-N 3.31Å; Y1017-L1020 PolarHBondContact O-N 3.46Å; Y1017-R1021 HydrophobicContact CE1-CG 4.39Å; Y1017-R1021 HydrophobicContact CE2-CG 4.47Å; Y1017-R1021 WeakPolarHBondContact O-CG 3.37Å; Y1017-R1021 PolarHBondContact O-N 3.4Å; Y1017-R1021 VanDerWaalsContact O-N 3.1Å; Y1017-A1054 VanDerWaalsContact CE2-O 3.26Å; Y1017-A1054 WeakPolarHBondContact CE2-O 3.41Å; Y1017-A1054 PolarHBondContact OH-O 2.96Å; Y1017-L1055 HydrophobicContact CE2-CD2 4.3Å; Y1017-T1056 WeakPolarHBondContact OH-CG2 3.35Å; Y1017-T1056 PolarHBondContact OH-OG1 3.34Å; Y1017-A1064 HydrophobicContact CE1-CB 4.11Å; Y1017-A1064 WeakPolarHBondContact CE1-O 3.14Å; Y1017-F1068 HydrophobicContact CD1-CB 3.78Å; Y1017-F1068 AromaticContact CD1-CD2 3.99Å; Y1017-F1068 HydrophobicContact CD1-CD2 3.99Å; Y1017-F1068 AromaticContact CD1-CG 3.98Å; Y1017-F1068 HydrophobicContact CD1-CG 3.98Å; Y1017-F1068 AromaticContact CD2-CD2 3.58Å; Y1017-F1068 HydrophobicContact CD2-CD2 3.58Å; Y1017-F1068 AromaticContact CD2-CE2 3.91Å; Y1017-F1068 HydrophobicContact CD2-CE2 3.91Å; Y1017-F1068 HydrophobicContact CD2-CG 4.34Å; Y1017-F1068 HydrophobicContact CE1-CB 3.92Å; Y1017-F1068 HydrophobicContact CE1-CD2 4.26Å; Y1017-F1068 HydrophobicContact CE1-CG 4.41Å; Y1017-F1068 AromaticContact CE2-CD2 3.89Å; Y1017-F1068 HydrophobicContact CE2-CD2 3.89Å; Y1017-F1068 HydrophobicContact CE2-CE2 4.46Å; Y1017-F1068 HydrophobicContact CG-CB 4.26Å; Y1017-F1068 AromaticContact CG-CD2 3.63Å; Y1017-F1068 HydrophobicContact CG-CD2 3.63Å; Y1017-F1068 HydrophobicContact CG-CE2 4.17Å; Y1017-F1068 AromaticContact CG-CG 3.93Å; Y1017-F1068 HydrophobicContact CG-CG 3.93Å
1018	L	96.8	Very high	94.9	Very high	27 Å²	27	29.3 Å²	29.3	14%	0.141	14%	0.137	C	C	.	.	H	α-helix	trans	-64	-40.2	177.8	-68	179.6	0	0	0	112	V1014 R1015 L1020 R1021 H1022 E1061 A1064	V1014-L1018 HydrophobicContact CG1-CD1 3.94Å; V1014-L1018 HydrophobicContact CG1-CG 4.35Å; V1014-L1018 WeakPolarHBondContact O-CB 3.1Å; V1014-L1018 WeakPolarHBondContact O-CG 3.38Å; V1014-L1018 PolarHBondContact O-N 3.34Å; R1015-L1018 PolarHBondContact O-N 3.28Å; L1018-L1020 VanDerWaalsContact C-N 3.33Å; L1018-L1020 PolarHBondContact O-N 2.98Å; L1018-R1021 WeakPolarHBondContact O-CA 3.39Å; L1018-R1021 WeakPolarHBondContact O-CB 3.48Å; L1018-R1021 PolarHBondContact O-N 3.14Å; L1018-H1022 PolarHBondContact O-N 3.41Å; L1018-E1061 HydrophobicContact CD2-CB 4.27Å; L1018-A1064 HydrophobicContact CD2-CB 4.38Å
1019	A	96.3	Very high	94.6	Very high	3 Å²	3	26 Å²	26	3%	0.025	12%	0.123	C	C	.	.	H	α-helix	trans	-56.6	-45.4	173.5	0	0	0	0	0	111.8	E858 R1015 Y1017 R1021 H1022 H1023	E858-A1019 HydrophobicContact CB-CB 4.21Å; E858-A1019 HydrophobicContact CG-CB 3.86Å; R1015-A1019 WeakPolarHBondContact O-CB 3.39Å; R1015-A1019 PolarHBondContact O-N 3.05Å; Y1017-A1019 PolarHBondContact O-N 3.31Å; A1019-R1021 VanDerWaalsContact C-N 3.29Å; A1019-R1021 PolarHBondContact O-N 2.84Å; A1019-H1022 PolarHBondContact O-N 3.21Å; A1019-H1023 PolarHBondContact O-CD2 3.03Å
1020	L	96.1	Very high	94.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-33.5	175	-66.3	-174	0	0	0	112.7	M851 I854 W855 V937 V941 A1016 Y1017 L1018 H1023 T1024 L1027 L1055	M851-L1020 HydrophobicContact CB-CD2 4.09Å; M851-L1020 HydrophobicContact CE-CD1 3.89Å; M851-L1020 HydrophobicContact CG-CD1 4.32Å; M851-L1020 HydrophobicContact CG-CD2 3.83Å; M851-L1020 HydrophobicContact SD-CD1 3.96Å; I854-L1020 HydrophobicContact CB-CD2 4.44Å; I854-L1020 HydrophobicContact CD1-CD2 4.21Å; I854-L1020 HydrophobicContact CG2-CD2 4.18Å; W855-L1020 HydrophobicContact CZ2-CD1 3.81Å; W855-L1020 HydrophobicContact CZ2-CD2 4.16Å; W855-L1020 HydrophobicContact CZ2-CG 4.02Å; V937-L1020 HydrophobicContact CG1-CD1 3.84Å; V941-L1020 HydrophobicContact CB-CD1 4.48Å; V941-L1020 HydrophobicContact CG2-CD1 4.08Å; A1016-L1020 WeakPolarHBondContact O-CG 3.42Å; A1016-L1020 PolarHBondContact O-N 3.16Å; A1016-L1020 VanDerWaalsContact O-N 3.15Å; Y1017-L1020 PolarHBondContact O-N 3.46Å; L1018-L1020 VanDerWaalsContact C-N 3.33Å; L1018-L1020 PolarHBondContact O-N 2.98Å; L1020-H1023 CarbonylContact O-C 3.6Å; L1020-H1023 VanDerWaalsContact O-C 3.32Å; L1020-H1023 WeakPolarHBondContact O-CA 3.17Å; L1020-H1023 PolarHBondContact O-N 2.62Å; L1020-H1023 VanDerWaalsContact O-N 3.1Å; L1020-T1024 PolarHBondContact O-N 2.82Å; L1020-L1027 HydrophobicContact CB-CD1 4.01Å; L1020-L1027 HydrophobicContact CD2-CD1 4.36Å; L1020-L1055 HydrophobicContact CB-CD2 4.22Å
1021	R	94.8	Very high	93.4	Very high	31 Å²	31	24.2 Å²	24.2	12%	0.117	12%	0.115	C	C	.	.	H	α-helix	trans	-67.4	-32.4	175.7	-67.3	178.2	73.7	-109.5	3.7	113.1	Y1017 L1018 A1019 H1023 T1024 L1055 T1056 K1059	Y1017-R1021 HydrophobicContact CE1-CG 4.39Å; Y1017-R1021 HydrophobicContact CE2-CG 4.47Å; Y1017-R1021 WeakPolarHBondContact O-CG 3.37Å; Y1017-R1021 PolarHBondContact O-N 3.4Å; Y1017-R1021 VanDerWaalsContact O-N 3.1Å; L1018-R1021 WeakPolarHBondContact O-CA 3.39Å; L1018-R1021 WeakPolarHBondContact O-CB 3.48Å; L1018-R1021 PolarHBondContact O-N 3.14Å; A1019-R1021 VanDerWaalsContact C-N 3.29Å; A1019-R1021 PolarHBondContact O-N 2.84Å; R1021-H1023 PolarHBondContact O-N 3.12Å; R1021-T1024 PolarHBondContact O-N 2.84Å; R1021-T1024 PolarHBondContact O-OG1 2.87Å; R1021-L1055 WeakPolarHBondContact CD-O 3.47Å; R1021-L1055 HydrophobicContact CG-CB 4.32Å; R1021-L1055 HydrophobicContact CG-CD2 3.91Å; R1021-L1055 WeakPolarHBondContact CG-O 3.46Å; R1021-L1055 PolarHBondContact NE-O 2.85Å; R1021-T1056 PolarHBondContact NE-OG1 2.62Å; R1021-T1056 PolarHBondContact NH2-O 2.82Å; R1021-K1059 PolarHBondContact NH2-O 3.37Å
1022	H	93	Very high	92.6	Very high	100 Å²	100	21.3 Å²	21.3	46%	0.463	10%	0.1	S	C	.	.	H	α-helix	trans	-62.9	-20.9	172.1	-61.9	148.7	0	0	0	112.4	L1018 A1019 E1061	L1018-H1022 PolarHBondContact O-N 3.41Å; A1019-H1022 PolarHBondContact O-N 3.21Å; H1022-E1061 IonicContact CD2-OE1 3.87Å; H1022-E1061 IonicContact CE1-OE1 3.82Å; H1022-E1061 IonicContact NE2-OE1 2.7Å; H1022-E1061 PolarHBondContact NE2-OE1 2.87Å
1023	H	93.1	Very high	91.8	Very high	57 Å²	57	21.3 Å²	21.3	26%	0.264	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	22.9	178.5	-65.6	-96.9	0	0	0	113.6	I854 A1019 L1020 R1021 N1025 L1026 L1027	I854-H1023 HydrophobicContact CD1-CB 3.87Å; I854-H1023 HydrophobicContact CG1-CB 4.35Å; I854-H1023 HydrophobicContact CG2-CB 4.34Å; I854-H1023 VanDerWaalsContact CG2-CD2 3.44Å; I854-H1023 WeakPolarHBondContact CG2-CD2 3.42Å; A1019-H1023 PolarHBondContact O-CD2 3.03Å; L1020-H1023 CarbonylContact O-C 3.6Å; L1020-H1023 VanDerWaalsContact O-C 3.32Å; L1020-H1023 WeakPolarHBondContact O-CA 3.17Å; L1020-H1023 PolarHBondContact O-N 2.62Å; L1020-H1023 VanDerWaalsContact O-N 3.1Å; R1021-H1023 PolarHBondContact O-N 3.12Å; H1023-N1025 VanDerWaalsContact C-N 3.31Å; H1023-N1025 PolarHBondContact O-N 2.83Å; H1023-L1026 WeakPolarHBondContact O-CB 3.4Å; H1023-L1026 PolarHBondContact O-N 2.87Å; H1023-L1026 VanDerWaalsContact O-N 3.08Å; H1023-L1027 PolarHBondContact O-N 3.29Å
1024	T	91.4	Very high	90.7	Very high	15 Å²	15	21.4 Å²	21.4	9%	0.092	10%	0.1	C	C	.	.	H	α-helix	trans	-48.7	-46.7	-178.5	-74.1	0	0	0	0	113.4	L1020 R1021 L1026 L1027 I1028 L1055 V1057	L1020-T1024 PolarHBondContact O-N 2.82Å; R1021-T1024 PolarHBondContact O-N 2.84Å; R1021-T1024 PolarHBondContact O-OG1 2.87Å; T1024-L1026 VanDerWaalsContact C-N 3.29Å; T1024-L1026 PolarHBondContact O-N 2.92Å; T1024-L1027 PolarHBondContact O-N 3.36Å; T1024-I1028 HydrophobicContact CG2-CD1 3.54Å; T1024-I1028 HydrophobicContact CG2-CG1 4.13Å; T1024-I1028 WeakPolarHBondContact O-CB 3.36Å; T1024-I1028 WeakPolarHBondContact O-CG1 3.46Å; T1024-I1028 PolarHBondContact O-N 3.49Å; T1024-L1055 HydrophobicContact CG2-CD1 4.3Å; T1024-V1057 HydrophobicContact CG2-CG2 3.52Å
1025	N	90.6	Very high	89.3	Confident	63 Å²	63	21.1 Å²	21.1	34%	0.337	10%	0.098	S	C	.	.	H	α-helix	trans	-63.6	-36.1	-176.1	-71.6	4.9	0	0	0	112.5	P563 H1023 I1029	P563-N1025 HydrophobicContact CG-CB 4.37Å; H1023-N1025 VanDerWaalsContact C-N 3.31Å; H1023-N1025 PolarHBondContact O-N 2.83Å; N1025-I1029 WeakPolarHBondContact O-CG2 3.45Å; N1025-I1029 PolarHBondContact O-N 2.76Å; N1025-I1029 VanDerWaalsContact O-N 3.1Å
1026	L	91.7	Very high	87.9	Confident	15 Å²	15	16.5 Å²	16.5	8%	0.079	8%	0.082	C	C	.	.	H	α-helix	trans	-66.5	-47.9	175.8	174.8	62.1	0	0	0	110.4	V624 Y659 I850 I854 H1023 T1024 I1029 L1030	V624-L1026 HydrophobicContact CB-CD1 4.43Å; V624-L1026 HydrophobicContact CG1-CD1 4.2Å; Y659-L1026 HydrophobicContact CE1-CD1 4.1Å; Y659-L1026 HydrophobicContact CE1-CD2 4.44Å; I850-L1026 HydrophobicContact CG2-CD2 4.37Å; I854-L1026 HydrophobicContact CD1-CD2 4.32Å; H1023-L1026 WeakPolarHBondContact O-CB 3.4Å; H1023-L1026 PolarHBondContact O-N 2.87Å; H1023-L1026 VanDerWaalsContact O-N 3.08Å; T1024-L1026 VanDerWaalsContact C-N 3.29Å; T1024-L1026 PolarHBondContact O-N 2.92Å; L1026-I1029 VanDerWaalsContact O-CG2 3.28Å; L1026-I1029 WeakPolarHBondContact O-CG2 3.47Å; L1026-I1029 PolarHBondContact O-N 2.72Å; L1026-L1030 HydrophobicContact CD1-CD1 3.83Å; L1026-L1030 HydrophobicContact CD1-CD2 4.39Å; L1026-L1030 HydrophobicContact CD1-CG 3.98Å; L1026-L1030 HydrophobicContact CG-CD1 3.86Å; L1026-L1030 HydrophobicContact CG-CG 4.42Å; L1026-L1030 WeakPolarHBondContact O-CG 3.12Å; L1026-L1030 PolarHBondContact O-N 3.05Å
1027	L	90.8	Very high	86.4	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61	-49.9	178.3	-65.8	174.8	0	0	0	110.8	M851 I854 V941 L1020 H1023 T1024 I1029 L1030 F1031 I1051 L1055	M851-L1027 HydrophobicContact CE-CD2 4.28Å; I854-L1027 HydrophobicContact CD1-CD2 4.46Å; V941-L1027 HydrophobicContact CG1-CD1 4.47Å; L1020-L1027 HydrophobicContact CB-CD1 4.01Å; L1020-L1027 HydrophobicContact CD2-CD1 4.36Å; H1023-L1027 PolarHBondContact O-N 3.29Å; T1024-L1027 PolarHBondContact O-N 3.36Å; L1027-I1029 VanDerWaalsContact C-N 3.32Å; L1027-I1029 PolarHBondContact O-N 3.17Å; L1027-L1030 PolarHBondContact O-N 3.27Å; L1027-F1031 WeakPolarHBondContact O-CD2 3.39Å; L1027-F1031 PolarHBondContact O-N 2.79Å; L1027-I1051 HydrophobicContact CB-CD1 3.94Å; L1027-L1055 HydrophobicContact CB-CD1 4.43Å; L1027-L1055 HydrophobicContact CD1-CD1 3.94Å
1028	I	88.8	Confident	84.7	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-52.2	-49.2	177.4	-75.1	178	0	0	0	111.2	D562 P563 L564 T1024 F1031 S1032 I1051	D562-I1028 HydrophobicContact CB-CD1 4.2Å; P563-I1028 HydrophobicContact CB-CG2 4.17Å; P563-I1028 HydrophobicContact CG-CG2 4.22Å; L564-I1028 HydrophobicContact CD1-CD1 4.38Å; L564-I1028 HydrophobicContact CD1-CG2 3.92Å; L564-I1028 HydrophobicContact CD2-CG2 4Å; L564-I1028 HydrophobicContact CG-CG2 3.64Å; T1024-I1028 HydrophobicContact CG2-CD1 3.54Å; T1024-I1028 HydrophobicContact CG2-CG1 4.13Å; T1024-I1028 WeakPolarHBondContact O-CB 3.36Å; T1024-I1028 WeakPolarHBondContact O-CG1 3.46Å; T1024-I1028 PolarHBondContact O-N 3.49Å; I1028-F1031 PolarHBondContact O-N 3.22Å; I1028-S1032 WeakPolarHBondContact O-CB 3.42Å; I1028-S1032 PolarHBondContact O-N 3.48Å; I1028-S1032 PolarHBondContact O-OG 2.75Å; I1028-I1051 HydrophobicContact CG1-CG2 4.07Å
1029	I	89.6	Confident	83.2	Confident	2 Å²	2	17 Å²	17	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-71.3	-38.4	-175.9	-166.7	58.2	0	0	0	112.8	M628 Q629 D632 N1025 L1026 L1027 F1031 S1032 M1033	M628-I1029 HydrophobicContact CB-CG1 4.08Å; M628-I1029 HydrophobicContact CB-CG2 3.98Å; Q629-I1029 HydrophobicContact CB-CD1 4.27Å; Q629-I1029 HydrophobicContact CB-CG1 4.33Å; Q629-I1029 HydrophobicContact CG-CB 3.99Å; Q629-I1029 HydrophobicContact CG-CD1 3.7Å; Q629-I1029 HydrophobicContact CG-CG1 3.67Å; D632-I1029 HydrophobicContact CB-CD1 4.12Å; N1025-I1029 WeakPolarHBondContact O-CG2 3.45Å; N1025-I1029 PolarHBondContact O-N 2.76Å; N1025-I1029 VanDerWaalsContact O-N 3.1Å; L1026-I1029 VanDerWaalsContact O-CG2 3.28Å; L1026-I1029 WeakPolarHBondContact O-CG2 3.47Å; L1026-I1029 PolarHBondContact O-N 2.72Å; L1027-I1029 VanDerWaalsContact C-N 3.32Å; L1027-I1029 PolarHBondContact O-N 3.17Å; I1029-F1031 VanDerWaalsContact C-N 3.31Å; I1029-F1031 PolarHBondContact O-N 3.33Å; I1029-S1032 PolarHBondContact O-N 2.85Å; I1029-M1033 HydrophobicContact CD1-CG 4.18Å; I1029-M1033 HydrophobicContact CD1-SD 4.47Å; I1029-M1033 HydrophobicContact CG1-CG 4.23Å; I1029-M1033 HydrophobicContact CG1-SD 3.98Å; I1029-M1033 WeakPolarHBondContact O-CB 3.25Å; I1029-M1033 VanDerWaalsContact O-CG 3.28Å; I1029-M1033 WeakPolarHBondContact O-CG 3.48Å; I1029-M1033 PolarHBondContact O-N 2.64Å
1030	L	87.8	Confident	81.4	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.3	-47.5	175.7	-67.9	169.3	0	0	0	109.7	Y659 Q662 I847 I850 L1026 L1027 M1033 M1034	Y659-L1030 HydrophobicContact CD1-CD2 4.08Å; Y659-L1030 HydrophobicContact CE1-CD1 4.45Å; Y659-L1030 HydrophobicContact CE1-CD2 4.44Å; Q662-L1030 HydrophobicContact CB-CD2 4.15Å; Q662-L1030 HydrophobicContact CG-CD2 3.68Å; I847-L1030 HydrophobicContact CD1-CB 4Å; I847-L1030 HydrophobicContact CD1-CD1 4.05Å; I850-L1030 HydrophobicContact CD1-CD1 3.73Å; I850-L1030 HydrophobicContact CD1-CD2 4.44Å; I850-L1030 HydrophobicContact CG2-CD1 4.13Å; L1026-L1030 HydrophobicContact CD1-CD1 3.83Å; L1026-L1030 HydrophobicContact CD1-CD2 4.39Å; L1026-L1030 HydrophobicContact CD1-CG 3.98Å; L1026-L1030 HydrophobicContact CG-CD1 3.86Å; L1026-L1030 HydrophobicContact CG-CG 4.42Å; L1026-L1030 WeakPolarHBondContact O-CG 3.12Å; L1026-L1030 PolarHBondContact O-N 3.05Å; L1027-L1030 PolarHBondContact O-N 3.27Å; L1030-M1033 PolarHBondContact O-N 3.43Å; L1030-M1034 WeakPolarHBondContact O-CB 3.36Å; L1030-M1034 WeakPolarHBondContact O-CG 3.49Å; L1030-M1034 PolarHBondContact O-N 3.11Å
1031	F	80	Confident	79.6	Confident	1 Å²	1	23.8 Å²	23.8	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-65.8	-40.8	176.4	-80.6	-74.5	0	0	0	113.5	I847 L942 L969 L1027 I1028 I1029 M1033 M1034 L1035 I1051	I847-F1031 HydrophobicContact CB-CZ 4.27Å; I847-F1031 HydrophobicContact CD1-CE2 4.37Å; I847-F1031 HydrophobicContact CD1-CZ 4.32Å; I847-F1031 HydrophobicContact CG1-CE2 4.28Å; I847-F1031 HydrophobicContact CG1-CZ 3.79Å; I847-F1031 HydrophobicContact CG2-CE2 3.94Å; I847-F1031 HydrophobicContact CG2-CZ 3.82Å; L942-F1031 HydrophobicContact CD2-CE1 3.95Å; L942-F1031 HydrophobicContact CD2-CE2 3.43Å; L942-F1031 VanDerWaalsContact CD2-CE2 3.43Å; L942-F1031 HydrophobicContact CD2-CZ 3.05Å; L942-F1031 HydrophobicContact CG-CZ 4.38Å; L969-F1031 HydrophobicContact CD1-CD1 3.97Å; L969-F1031 HydrophobicContact CD2-CD1 3.97Å; L969-F1031 HydrophobicContact CD2-CE1 4.16Å; L969-F1031 HydrophobicContact CG-CD1 4.37Å; L1027-F1031 WeakPolarHBondContact O-CD2 3.39Å; L1027-F1031 PolarHBondContact O-N 2.79Å; I1028-F1031 PolarHBondContact O-N 3.22Å; I1029-F1031 VanDerWaalsContact C-N 3.31Å; I1029-F1031 PolarHBondContact O-N 3.33Å; F1031-M1033 PolarHBondContact O-N 2.95Å; F1031-M1034 HydrophobicContact CD1-CE 3.5Å; F1031-M1034 HydrophobicContact CE1-CE 3.33Å; F1031-M1034 HydrophobicContact CG-CE 4.31Å; F1031-M1034 HydrophobicContact CZ-CE 3.99Å; F1031-M1034 WeakPolarHBondContact O-CB 3.22Å; F1031-M1034 PolarHBondContact O-N 3.2Å; F1031-M1034 VanDerWaalsContact O-N 3.15Å; F1031-L1035 WeakPolarHBondContact O-CG 3.3Å; F1031-L1035 PolarHBondContact O-N 3.44Å; F1031-I1051 HydrophobicContact CD2-CD1 3.33Å; F1031-I1051 HydrophobicContact CE2-CD1 3.75Å; F1031-I1051 HydrophobicContact CG-CD1 4.13Å
1032	S	80.1	Confident	77.9	Confident	10 Å²	10	22.4 Å²	22.4	7%	0.07	13%	0.125	C	C	.	.	H	α-helix	trans	-59.8	-47.1	177.9	-57.2	0	0	0	0	111.1	I1028 I1029 M1034 L1035 M1036	I1028-S1032 WeakPolarHBondContact O-CB 3.42Å; I1028-S1032 PolarHBondContact O-N 3.48Å; I1028-S1032 PolarHBondContact O-OG 2.75Å; I1029-S1032 PolarHBondContact O-N 2.85Å; S1032-M1034 VanDerWaalsContact C-N 3.26Å; S1032-M1034 PolarHBondContact O-N 2.84Å; S1032-L1035 PolarHBondContact O-N 3.2Å; S1032-M1036 VanDerWaalsContact O-CE 3.27Å; S1032-M1036 WeakPolarHBondContact O-CE 3.15Å
1033	M	80.1	Confident	76.3	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-63.4	-35.8	177	-68.2	174.8	75.4	0	0	111.7	M628 D632 A666 F669 I1029 L1030 F1031 M1036 T1037	M628-M1033 HydrophobicContact CB-SD 3.93Å; M628-M1033 HydrophobicContact CE-CE 3.68Å; M628-M1033 HydrophobicContact CE-SD 3.74Å; D632-M1033 HydrophobicContact CB-CG 4.04Å; A666-M1033 HydrophobicContact CB-CE 3.32Å; F669-M1033 HydrophobicContact CE2-CB 4.34Å; F669-M1033 HydrophobicContact CE2-CE 4.34Å; F669-M1033 HydrophobicContact CE2-CG 4.34Å; I1029-M1033 HydrophobicContact CD1-CG 4.18Å; I1029-M1033 HydrophobicContact CD1-SD 4.47Å; I1029-M1033 HydrophobicContact CG1-CG 4.23Å; I1029-M1033 HydrophobicContact CG1-SD 3.98Å; I1029-M1033 WeakPolarHBondContact O-CB 3.25Å; I1029-M1033 VanDerWaalsContact O-CG 3.28Å; I1029-M1033 WeakPolarHBondContact O-CG 3.48Å; I1029-M1033 PolarHBondContact O-N 2.64Å; L1030-M1033 PolarHBondContact O-N 3.43Å; F1031-M1033 PolarHBondContact O-N 2.95Å; M1033-M1036 PolarHBondContact O-N 3.23Å; M1033-T1037 VanDerWaalsContact O-CG2 3.29Å; M1033-T1037 WeakPolarHBondContact O-CG2 3.35Å
1034	M	74.2	Confident	75	Confident	2 Å²	2	17.9 Å²	17.9	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-70.7	-39.3	178.6	-73.8	167.2	29	0	0	113.5	L843 I847 L1030 F1031 S1032 M1036 T1037 M1039	L843-M1034 HydrophobicContact CD1-CE 3.99Å; L843-M1034 HydrophobicContact CD1-CG 3.69Å; L843-M1034 HydrophobicContact CD1-SD 3.36Å; L843-M1034 WeakPolarHBondContact CD1-SD 3.47Å; L843-M1034 HydrophobicContact CD2-CB 3.9Å; L843-M1034 HydrophobicContact CD2-CE 3.32Å; L843-M1034 HydrophobicContact CD2-CG 3.59Å; L843-M1034 HydrophobicContact CD2-SD 3.7Å; L843-M1034 HydrophobicContact CG-CE 3.37Å; L843-M1034 HydrophobicContact CG-CG 3.99Å; L843-M1034 HydrophobicContact CG-SD 3.51Å; L843-M1034 VanDerWaalsContact CG-SD 3.51Å; I847-M1034 HydrophobicContact CD1-CE 4.39Å; I847-M1034 HydrophobicContact CD1-SD 3.79Å; I847-M1034 HydrophobicContact CG1-CE 4.04Å; I847-M1034 HydrophobicContact CG1-SD 4.03Å; L1030-M1034 WeakPolarHBondContact O-CB 3.36Å; L1030-M1034 WeakPolarHBondContact O-CG 3.49Å; L1030-M1034 PolarHBondContact O-N 3.11Å; F1031-M1034 HydrophobicContact CD1-CE 3.5Å; F1031-M1034 HydrophobicContact CE1-CE 3.33Å; F1031-M1034 HydrophobicContact CG-CE 4.31Å; F1031-M1034 HydrophobicContact CZ-CE 3.99Å; F1031-M1034 WeakPolarHBondContact O-CB 3.22Å; F1031-M1034 PolarHBondContact O-N 3.2Å; F1031-M1034 VanDerWaalsContact O-N 3.15Å; S1032-M1034 VanDerWaalsContact C-N 3.26Å; S1032-M1034 PolarHBondContact O-N 2.84Å; M1034-M1036 PolarHBondContact O-N 2.82Å; M1034-M1036 VanDerWaalsContact O-N 3.15Å; M1034-T1037 PolarHBondContact O-N 2.73Å; M1034-T1037 PolarHBondContact O-OG1 2.98Å; M1034-M1039 HydrophobicContact CB-CE 3.92Å; M1034-M1039 WeakPolarHBondContact O-CE 3.12Å
1035	L	68.9	Low	73.8	Confident	7 Å²	7	21.2 Å²	21.2	4%	0.037	12%	0.122	C	C	.	.	H	α-helix	trans	-53.6	-39.1	175.6	-66.1	-150.4	0	0	0	112	L969 F1031 S1032 T1037 L1042 S1044 D1047 I1048	L969-L1035 HydrophobicContact CD1-CD2 3.66Å; F1031-L1035 WeakPolarHBondContact O-CG 3.3Å; F1031-L1035 PolarHBondContact O-N 3.44Å; S1032-L1035 PolarHBondContact O-N 3.2Å; L1035-T1037 PolarHBondContact O-N 2.85Å; L1035-L1042 HydrophobicContact CD2-CB 3.52Å; L1035-L1042 HydrophobicContact CD2-CD1 4.09Å; L1035-L1042 HydrophobicContact CD2-CD2 3.51Å; L1035-L1042 HydrophobicContact CD2-CG 3.9Å; L1035-S1044 WeakPolarHBondContact CD1-O 3.5Å; L1035-D1047 HydrophobicContact CD1-CB 3.89Å; L1035-D1047 HydrophobicContact CD2-CB 4.1Å; L1035-I1048 HydrophobicContact CD1-CB 4.4Å; L1035-I1048 HydrophobicContact CD1-CD1 3.66Å; L1035-I1048 HydrophobicContact CD1-CG1 3.07Å; L1035-I1048 HydrophobicContact CG-CD1 4.18Å; L1035-I1048 HydrophobicContact CG-CG1 3.74Å
1036	M	66.5	Low	72.8	Confident	13 Å²	13	23.1 Å²	23.1	6%	0.064	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-6.6	-173.4	-63.3	-174.1	-76.1	0	0	112.3	N498 A499 D632 C633 F669 S1032 M1033 M1034 G1038	N498-M1036 PolarHBondContact OD1-O 3Å; A499-M1036 WeakPolarHBondContact CA-O 3.49Å; A499-M1036 HydrophobicContact CB-CB 4.32Å; A499-M1036 WeakPolarHBondContact CB-O 3.29Å; A499-M1036 PolarHBondContact N-O 2.88Å; D632-M1036 HydrophobicContact CB-CE 4.35Å; C633-M1036 HydrophobicContact CB-CE 3.99Å; C633-M1036 HydrophobicContact CB-SD 3.6Å; C633-M1036 VanDerWaalsContact CB-SD 3.6Å; C633-M1036 VanDerWaalsContact SG-CE 3.54Å; C633-M1036 PolarHBondContact SG-SD 3.39Å; F669-M1036 HydrophobicContact CE1-CB 3.72Å; F669-M1036 HydrophobicContact CE1-CE 3.93Å; F669-M1036 HydrophobicContact CE1-CG 4.49Å; F669-M1036 HydrophobicContact CE1-SD 3.96Å; F669-M1036 HydrophobicContact CE2-CE 4.14Å; F669-M1036 HydrophobicContact CZ-CB 3.64Å; F669-M1036 HydrophobicContact CZ-CE 3.54Å; F669-M1036 HydrophobicContact CZ-CG 4.47Å; F669-M1036 HydrophobicContact CZ-SD 4.13Å; S1032-M1036 VanDerWaalsContact O-CE 3.27Å; S1032-M1036 WeakPolarHBondContact O-CE 3.15Å; M1033-M1036 PolarHBondContact O-N 3.23Å; M1034-M1036 PolarHBondContact O-N 2.82Å; M1034-M1036 VanDerWaalsContact O-N 3.15Å; M1036-G1038 VanDerWaalsContact C-N 3.27Å; M1036-G1038 PolarHBondContact O-N 3.49Å
1037	T	66.7	Low	71.7	Confident	7 Å²	7	22.8 Å²	22.8	4%	0.043	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	9.2	-171.5	58.4	0	0	0	0	115.3	Q665 K668 M1033 M1034 L1035 M1039	Q665-T1037 HydrophobicContact CB-CG2 3.49Å; Q665-T1037 VanDerWaalsContact CB-CG2 3.49Å; Q665-T1037 HydrophobicContact CG-CG2 3.7Å; K668-T1037 HydrophobicContact CD-CG2 4.43Å; K668-T1037 PolarHBondContact NZ-O 2.71Å; K668-T1037 VanDerWaalsContact NZ-O 3.17Å; M1033-T1037 VanDerWaalsContact O-CG2 3.29Å; M1033-T1037 WeakPolarHBondContact O-CG2 3.35Å; M1034-T1037 PolarHBondContact O-N 2.73Å; M1034-T1037 PolarHBondContact O-OG1 2.98Å; L1035-T1037 PolarHBondContact O-N 2.85Å; T1037-M1039 WeakPolarHBondContact OG1-CE 3.36Å
1038	G	62.3	Low	70.9	Confident	23 Å²	23	23.7 Å²	23.7	24%	0.237	13%	0.132	C	C	.	.			trans	84.2	26.9	176.8	0	0	0	0	0	114.1	N498 M1036	N498-G1038 PolarHBondContact OD1-N 2.87Å; M1036-G1038 VanDerWaalsContact C-N 3.27Å; M1036-G1038 PolarHBondContact O-N 3.49Å
1039	M	65.5	Low	70.5	Confident	7 Å²	7	26.6 Å²	26.6	3%	0.034	15%	0.146	C	C	.	.			trans	-78.2	129	172.7	-76.2	178.7	-76.8	0	0	110.4	Q840 L843 M1034 T1037 Q1041 L1042	Q840-M1039 HydrophobicContact CB-SD 4.45Å; L843-M1039 HydrophobicContact CD2-CE 3.03Å; L843-M1039 HydrophobicContact CD2-SD 3.33Å; L843-M1039 WeakPolarHBondContact CD2-SD 3.1Å; M1034-M1039 HydrophobicContact CB-CE 3.92Å; M1034-M1039 WeakPolarHBondContact O-CE 3.12Å; T1037-M1039 WeakPolarHBondContact OG1-CE 3.36Å; M1039-Q1041 PolarHBondContact O-N 2.77Å; M1039-L1042 HydrophobicContact CB-CB 4.31Å; M1039-L1042 HydrophobicContact CB-CD1 4.32Å; M1039-L1042 HydrophobicContact CE-CD1 3.49Å; M1039-L1042 VanDerWaalsContact CE-CD1 3.49Å; M1039-L1042 PolarHBondContact O-N 3.34Å; M1039-L1042 VanDerWaalsContact O-N 3.14Å; M1039-L1042 HydrophobicContact SD-CD1 4.12Å
1040	P	58	Low	70.3	Confident	101 Å²	101	28.9 Å²	28.9	66%	0.656	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-18.8	-169.8	-28.4	34.6	0	0	0	117.1
1041	Q	57.4	Low	70.2	Confident	44 Å²	44	28.9 Å²	28.9	21%	0.206	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	8.5	-174.7	-60.1	-169.2	-10	0	0	114.1	G966 N971 M1039	G966-Q1041 PolarHBondContact O-NE2 3.17Å; G966-Q1041 PolarHBondContact O-OE1 2.84Å; N971-Q1041 PolarHBondContact ND2-O 2.85Å; M1039-Q1041 PolarHBondContact O-N 2.77Å
1042	L	60.7	Low	70.6	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.016	17%	0.165	C	C	.	.			trans	-133	87.7	-175.2	-72.1	-174.2	0	0	0	106.7	I968 L969 L1035 M1039	I968-L1042 HydrophobicContact CD1-CD1 3.61Å; I968-L1042 HydrophobicContact CD1-CD2 3.53Å; I968-L1042 HydrophobicContact CD1-CG 3.63Å; I968-L1042 HydrophobicContact CG1-CD2 3.66Å; I968-L1042 HydrophobicContact CG1-CG 4.13Å; L969-L1042 HydrophobicContact CB-CD2 4.14Å; L969-L1042 HydrophobicContact CD1-CD2 3.28Å; L969-L1042 HydrophobicContact CG-CD2 3.76Å; L1035-L1042 HydrophobicContact CD2-CB 3.52Å; L1035-L1042 HydrophobicContact CD2-CD1 4.09Å; L1035-L1042 HydrophobicContact CD2-CD2 3.51Å; L1035-L1042 HydrophobicContact CD2-CG 3.9Å; M1039-L1042 HydrophobicContact CB-CB 4.31Å; M1039-L1042 HydrophobicContact CB-CD1 4.32Å; M1039-L1042 HydrophobicContact CE-CD1 3.49Å; M1039-L1042 VanDerWaalsContact CE-CD1 3.49Å; M1039-L1042 PolarHBondContact O-N 3.34Å; M1039-L1042 VanDerWaalsContact O-N 3.14Å; M1039-L1042 HydrophobicContact SD-CD1 4.12Å
1043	T	59.2	Low	71	Confident	41 Å²	41	35.9 Å²	35.9	25%	0.252	19%	0.187	S	C	.	.			trans	-130.4	-16.1	-160.9	62.4	0	0	0	0	114.7	S496 D1047	S496-T1043 VanDerWaalsContact CA-O 3.29Å; S496-T1043 WeakPolarHBondContact CA-O 3.16Å; S496-T1043 VanDerWaalsContact CB-O 3.23Å; S496-T1043 WeakPolarHBondContact CB-O 3.42Å; S496-T1043 PolarHBondContact OG-O 3.09Å; T1043-D1047 PolarHBondContact N-OD2 2.82Å
1044	S	65.1	Low	71.5	Confident	20 Å²	20	36 Å²	36	14%	0.14	19%	0.188	C	C	.	.	S	Bend	trans	-137.1	163.9	-169.7	88.7	0	0	0	0	113.6	L1035 E1046 D1047	L1035-S1044 WeakPolarHBondContact CD1-O 3.5Å; S1044-E1046 WeakPolarHBondContact CB-OE2 3.43Å; S1044-E1046 PolarHBondContact O-N 2.92Å; S1044-E1046 PolarHBondContact OG-N 3.3Å; S1044-E1046 PolarHBondContact OG-OE2 3.16Å; S1044-D1047 PolarHBondContact N-OD2 3.11Å; S1044-D1047 WeakPolarHBondContact O-CB 3.09Å; S1044-D1047 PolarHBondContact O-N 2.82Å
1045	K	66.6	Low	72.4	Confident	85 Å²	85	35.9 Å²	35.9	37%	0.37	19%	0.187	S	C	.	.	H	α-helix	trans	-65.5	-32.9	179.4	-173.6	-177.3	173.7	-169.2	0	111	D1047 I1048 E1049	K1045-D1047 PolarHBondContact O-N 3.43Å; K1045-I1048 PolarHBondContact O-N 3.17Å; K1045-E1049 PolarHBondContact O-N 3.07Å; K1045-E1049 VanDerWaalsContact O-N 3.09Å
1046	E	68.8	Low	73.6	Confident	103 Å²	103	35.9 Å²	35.9	48%	0.481	19%	0.188	S	C	.	.	H	α-helix	trans	-58.9	-34.1	176.7	-59.2	70.8	-151.1	0	0	111.3	S1044 I1048 E1049 Y1050	S1044-E1046 WeakPolarHBondContact CB-OE2 3.43Å; S1044-E1046 PolarHBondContact O-N 2.92Å; S1044-E1046 PolarHBondContact OG-N 3.3Å; S1044-E1046 PolarHBondContact OG-OE2 3.16Å; E1046-I1048 VanDerWaalsContact C-N 3.28Å; E1046-I1048 PolarHBondContact O-N 3.08Å; E1046-E1049 PolarHBondContact O-N 3.16Å; E1046-E1049 VanDerWaalsContact O-N 3.15Å; E1046-Y1050 PolarHBondContact O-N 2.92Å; E1046-Y1050 VanDerWaalsContact O-N 3.16Å
1047	D	69.7	Low	74.7	Confident	9 Å²	9	37.5 Å²	37.5	5%	0.048	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-32.8	175.1	-61.5	-38	0	0	0	111.9	L969 N971 L1035 T1043 S1044 K1045 Y1050	L969-D1047 HydrophobicContact CB-CB 4.38Å; L969-D1047 HydrophobicContact CD1-CB 4.15Å; L969-D1047 WeakPolarHBondContact CD1-O 3.19Å; N971-D1047 PolarHBondContact ND2-OD1 2.83Å; L1035-D1047 HydrophobicContact CD1-CB 3.89Å; L1035-D1047 HydrophobicContact CD2-CB 4.1Å; T1043-D1047 PolarHBondContact N-OD2 2.82Å; S1044-D1047 PolarHBondContact N-OD2 3.11Å; S1044-D1047 WeakPolarHBondContact O-CB 3.09Å; S1044-D1047 PolarHBondContact O-N 2.82Å; K1045-D1047 PolarHBondContact O-N 3.43Å; D1047-Y1050 WeakPolarHBondContact O-CB 3.42Å
1048	I	72.8	Confident	75.8	Confident	19 Å²	19	41.2 Å²	41.2	10%	0.097	24%	0.238	C	C	.	.	H	α-helix	trans	-81.4	-30.8	174.5	-34	175.9	0	0	0	111.4	L564 L1035 K1045 E1046 Y1050 I1051	L564-I1048 HydrophobicContact CD1-CB 3.98Å; L564-I1048 HydrophobicContact CD1-CG2 3.5Å; L564-I1048 VanDerWaalsContact CD1-CG2 3.5Å; L564-I1048 HydrophobicContact CD2-CB 4.33Å; L564-I1048 HydrophobicContact CD2-CD1 4.18Å; L564-I1048 HydrophobicContact CD2-CG2 3.87Å; L564-I1048 HydrophobicContact CG-CG2 4.26Å; L1035-I1048 HydrophobicContact CD1-CB 4.4Å; L1035-I1048 HydrophobicContact CD1-CD1 3.66Å; L1035-I1048 HydrophobicContact CD1-CG1 3.07Å; L1035-I1048 HydrophobicContact CG-CD1 4.18Å; L1035-I1048 HydrophobicContact CG-CG1 3.74Å; K1045-I1048 PolarHBondContact O-N 3.17Å; E1046-I1048 VanDerWaalsContact C-N 3.28Å; E1046-I1048 PolarHBondContact O-N 3.08Å; I1048-Y1050 PolarHBondContact O-N 2.81Å; I1048-I1051 HydrophobicContact CG2-CG2 4.07Å; I1048-I1051 WeakPolarHBondContact O-CG2 3.4Å; I1048-I1051 PolarHBondContact O-N 3.4Å
1049	E	80.4	Confident	77.2	Confident	60 Å²	60	45.1 Å²	45.1	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-63.1	-29.8	176.1	-68.2	-173.4	173.8	0	0	111.4	K1045 E1046 I1051 R1052 D1053	K1045-E1049 PolarHBondContact O-N 3.07Å; K1045-E1049 VanDerWaalsContact O-N 3.09Å; E1046-E1049 PolarHBondContact O-N 3.16Å; E1046-E1049 VanDerWaalsContact O-N 3.15Å; E1049-I1051 VanDerWaalsContact C-N 3.33Å; E1049-I1051 PolarHBondContact O-N 2.95Å; E1049-R1052 WeakPolarHBondContact O-CB 3.29Å; E1049-R1052 PolarHBondContact O-N 2.86Å; E1049-R1052 VanDerWaalsContact O-N 3.12Å; E1049-D1053 PolarHBondContact O-N 3.5Å
1050	Y	84.8	Confident	78.5	Confident	51 Å²	51	49 Å²	49	20%	0.2	27%	0.269	C	S	.	.	H	α-helix	trans	-50.5	-49.1	171.3	-179.6	-88.4	0	0	0	112.8	F940 G943 L969 E1046 D1047 I1048 R1052 D1053 A1054	F940-Y1050 PolarHBondContact O-OH 3.05Å; G943-Y1050 VanDerWaalsContact CA-CZ 3.4Å; G943-Y1050 WeakPolarHBondContact CA-OH 3.4Å; G943-Y1050 VanDerWaalsContact N-CE1 3.33Å; L969-Y1050 HydrophobicContact CD2-CD1 4.28Å; E1046-Y1050 PolarHBondContact O-N 2.92Å; E1046-Y1050 VanDerWaalsContact O-N 3.16Å; D1047-Y1050 WeakPolarHBondContact O-CB 3.42Å; I1048-Y1050 PolarHBondContact O-N 2.81Å; Y1050-R1052 VanDerWaalsContact C-N 3.27Å; Y1050-R1052 PolarHBondContact O-N 2.74Å; Y1050-D1053 PolarHBondContact O-N 3.06Å; Y1050-A1054 HydrophobicContact CD1-CB 4.41Å; Y1050-A1054 HydrophobicContact CE1-CB 4.01Å; Y1050-A1054 WeakPolarHBondContact O-CB 3.36Å; Y1050-A1054 PolarHBondContact O-N 3.42Å
1051	I	85.8	Confident	80.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-31.6	-176.2	-168	160	0	0	0	111.7	V941 L1027 I1028 F1031 I1048 E1049 L1055	V941-I1051 HydrophobicContact CG1-CD1 4.13Å; V941-I1051 HydrophobicContact CG1-CG1 4.17Å; L1027-I1051 HydrophobicContact CB-CD1 3.94Å; I1028-I1051 HydrophobicContact CG1-CG2 4.07Å; F1031-I1051 HydrophobicContact CD2-CD1 3.33Å; F1031-I1051 HydrophobicContact CE2-CD1 3.75Å; F1031-I1051 HydrophobicContact CG-CD1 4.13Å; I1048-I1051 HydrophobicContact CG2-CG2 4.07Å; I1048-I1051 WeakPolarHBondContact O-CG2 3.4Å; I1048-I1051 PolarHBondContact O-N 3.4Å; E1049-I1051 VanDerWaalsContact C-N 3.33Å; E1049-I1051 PolarHBondContact O-N 2.95Å; I1051-L1055 HydrophobicContact CD1-CD1 4.43Å; I1051-L1055 HydrophobicContact CG1-CD1 3.83Å; I1051-L1055 HydrophobicContact CG1-CG 4.29Å; I1051-L1055 VanDerWaalsContact O-CB 3.32Å; I1051-L1055 WeakPolarHBondContact O-CB 3.37Å; I1051-L1055 WeakPolarHBondContact O-CG 3.45Å; I1051-L1055 PolarHBondContact O-N 2.84Å
1052	R	88.6	Confident	82.1	Confident	59 Å²	59	52.4 Å²	52.4	22%	0.223	28%	0.276	C	S	.	.	H	α-helix	trans	-65.1	-43	175.2	-170.9	-177.1	66.6	-173.2	-7.8	110.9	E1049 Y1050 T1056 V1057	E1049-R1052 WeakPolarHBondContact O-CB 3.29Å; E1049-R1052 PolarHBondContact O-N 2.86Å; E1049-R1052 VanDerWaalsContact O-N 3.12Å; Y1050-R1052 VanDerWaalsContact C-N 3.27Å; Y1050-R1052 PolarHBondContact O-N 2.74Å; R1052-T1056 PolarHBondContact O-N 3.22Å; R1052-V1057 HydrophobicContact CB-CG2 4.41Å; R1052-V1057 HydrophobicContact CG-CB 3.57Å; R1052-V1057 HydrophobicContact CG-CG1 4.17Å; R1052-V1057 HydrophobicContact CG-CG2 3.72Å; R1052-V1057 WeakPolarHBondContact O-CG2 3.47Å; R1052-V1057 PolarHBondContact O-N 3.03Å; R1052-V1057 VanDerWaalsContact O-N 3.07Å
1053	D	89.4	Confident	83.7	Confident	99 Å²	99	56.1 Å²	56.1	53%	0.529	30%	0.296	S	S	.	.	H	α-helix	trans	-70.7	-44.5	178.7	-69.2	-7.1	0	0	0	111.3	E1049 Y1050 L1055 T1056	E1049-D1053 PolarHBondContact O-N 3.5Å; Y1050-D1053 PolarHBondContact O-N 3.06Å; D1053-L1055 VanDerWaalsContact C-N 3.33Å; D1053-L1055 PolarHBondContact O-N 2.91Å; D1053-T1056 PolarHBondContact O-N 2.76Å
1054	A	90.4	Very high	85.4	Confident	3 Å²	3	54.2 Å²	54.2	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-39.9	177.4	0	0	0	0	0	112	F940 Y1017 Y1050 T1056	F940-A1054 HydrophobicContact CE1-CB 4.2Å; F940-A1054 WeakPolarHBondContact CE1-O 3.25Å; F940-A1054 HydrophobicContact CZ-CB 4.47Å; Y1017-A1054 VanDerWaalsContact CE2-O 3.26Å; Y1017-A1054 WeakPolarHBondContact CE2-O 3.41Å; Y1017-A1054 PolarHBondContact OH-O 2.96Å; Y1050-A1054 HydrophobicContact CD1-CB 4.41Å; Y1050-A1054 HydrophobicContact CE1-CB 4.01Å; Y1050-A1054 WeakPolarHBondContact O-CB 3.36Å; Y1050-A1054 PolarHBondContact O-N 3.42Å; A1054-T1056 PolarHBondContact O-N 3Å
1055	L	93.1	Very high	86.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	3.6	174.9	-68.6	172.9	0	0	0	113.7	V941 Y1017 L1020 R1021 T1024 L1027 I1051 D1053 V1057	V941-L1055 HydrophobicContact CG1-CD1 4.45Å; V941-L1055 HydrophobicContact CG1-CD2 3.94Å; V941-L1055 HydrophobicContact CG1-CG 4.14Å; V941-L1055 HydrophobicContact CG2-CD2 3.87Å; Y1017-L1055 HydrophobicContact CE2-CD2 4.3Å; L1020-L1055 HydrophobicContact CB-CD2 4.22Å; R1021-L1055 WeakPolarHBondContact CD-O 3.47Å; R1021-L1055 HydrophobicContact CG-CB 4.32Å; R1021-L1055 HydrophobicContact CG-CD2 3.91Å; R1021-L1055 WeakPolarHBondContact CG-O 3.46Å; R1021-L1055 PolarHBondContact NE-O 2.85Å; T1024-L1055 HydrophobicContact CG2-CD1 4.3Å; L1027-L1055 HydrophobicContact CB-CD1 4.43Å; L1027-L1055 HydrophobicContact CD1-CD1 3.94Å; I1051-L1055 HydrophobicContact CD1-CD1 4.43Å; I1051-L1055 HydrophobicContact CG1-CD1 3.83Å; I1051-L1055 HydrophobicContact CG1-CG 4.29Å; I1051-L1055 VanDerWaalsContact O-CB 3.32Å; I1051-L1055 WeakPolarHBondContact O-CB 3.37Å; I1051-L1055 WeakPolarHBondContact O-CG 3.45Å; I1051-L1055 PolarHBondContact O-N 2.84Å; D1053-L1055 VanDerWaalsContact C-N 3.33Å; D1053-L1055 PolarHBondContact O-N 2.91Å; L1055-V1057 HydrophobicContact CB-CG2 4.18Å; L1055-V1057 PolarHBondContact O-N 3.5Å
1056	T	93.7	Very high	88.3	Confident	6 Å²	6	59.1 Å²	59.1	4%	0.037	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	46.3	179.8	54.6	0	0	0	0	113.1	Y1017 R1021 R1052 D1053 A1054 G1058 K1059 A1064 Y1067	Y1017-T1056 WeakPolarHBondContact OH-CG2 3.35Å; Y1017-T1056 PolarHBondContact OH-OG1 3.34Å; R1021-T1056 PolarHBondContact NE-OG1 2.62Å; R1021-T1056 PolarHBondContact NH2-O 2.82Å; R1052-T1056 PolarHBondContact O-N 3.22Å; D1053-T1056 PolarHBondContact O-N 2.76Å; A1054-T1056 PolarHBondContact O-N 3Å; T1056-G1058 PolarHBondContact O-N 3.31Å; T1056-K1059 HydrophobicContact CG2-CD 4.28Å; T1056-K1059 WeakPolarHBondContact O-CB 3.26Å; T1056-K1059 PolarHBondContact O-N 3.03Å; T1056-K1059 VanDerWaalsContact O-N 3.09Å; T1056-A1064 WeakPolarHBondContact OG1-CB 3.43Å; T1056-Y1067 HydrophobicContact CG2-CD1 3.31Å; T1056-Y1067 HydrophobicContact CG2-CD2 4.5Å; T1056-Y1067 HydrophobicContact CG2-CE1 3.64Å; T1056-Y1067 HydrophobicContact CG2-CG 3.78Å
1057	V	90.8	Very high	89.5	Confident	48 Å²	48	57.4 Å²	57.4	29%	0.291	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	136	178.7	-179	0	0	0	0	109.6	D562 T1024 R1052 L1055 K1059	D562-V1057 HydrophobicContact CB-CG1 4.18Å; T1024-V1057 HydrophobicContact CG2-CG2 3.52Å; R1052-V1057 HydrophobicContact CB-CG2 4.41Å; R1052-V1057 HydrophobicContact CG-CB 3.57Å; R1052-V1057 HydrophobicContact CG-CG1 4.17Å; R1052-V1057 HydrophobicContact CG-CG2 3.72Å; R1052-V1057 WeakPolarHBondContact O-CG2 3.47Å; R1052-V1057 PolarHBondContact O-N 3.03Å; R1052-V1057 VanDerWaalsContact O-N 3.07Å; L1055-V1057 HydrophobicContact CB-CG2 4.18Å; L1055-V1057 PolarHBondContact O-N 3.5Å; V1057-K1059 VanDerWaalsContact C-N 3.34Å
1058	G	88.1	Confident	90.8	Very high	84 Å²	84	57 Å²	57	87%	0.866	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	-11.9	-175	0	0	0	0	0	115.1	T1056	T1056-G1058 PolarHBondContact O-N 3.31Å
1059	K	92.2	Very high	91.8	Very high	105 Å²	105	58.3 Å²	58.3	46%	0.457	30%	0.297	S	S	.	.	S	Bend	trans	-89.9	151.6	169.9	-61	-168.8	-176.9	174.4	0	111.6	R1021 T1056 V1057 D1063	R1021-K1059 PolarHBondContact NH2-O 3.37Å; T1056-K1059 HydrophobicContact CG2-CD 4.28Å; T1056-K1059 WeakPolarHBondContact O-CB 3.26Å; T1056-K1059 PolarHBondContact O-N 3.03Å; T1056-K1059 VanDerWaalsContact O-N 3.09Å; V1057-K1059 VanDerWaalsContact C-N 3.34Å; K1059-D1063 HydrophobicContact CB-CB 4.24Å; K1059-D1063 HydrophobicContact CD-CB 4.36Å
1060	N	93.8	Very high	92.5	Very high	88 Å²	88	59.2 Å²	59.2	47%	0.471	30%	0.304	S	S	.	.			trans	-69.6	168	170.7	66.7	54.5	0	0	0	110.9	E1062 D1063 A1064	N1060-E1062 PolarHBondContact O-N 2.7Å; N1060-E1062 PolarHBondContact OD1-N 2.69Å; N1060-E1062 VanDerWaalsContact OD1-N 3.15Å; N1060-D1063 PolarHBondContact ND2-OD2 2.84Å; N1060-D1063 WeakPolarHBondContact OD1-CB 3.3Å; N1060-D1063 PolarHBondContact OD1-N 2.85Å; N1060-D1063 PolarHBondContact OD1-OD2 2.8Å; N1060-A1064 WeakPolarHBondContact O-CB 3.45Å; N1060-A1064 PolarHBondContact O-N 3.01Å
1061	E	94.3	Very high	92.9	Very high	88 Å²	88	58.5 Å²	58.5	41%	0.411	30%	0.303	S	S	.	.	H	α-helix	trans	-66.5	-34	-175.8	-63.8	-167.2	165.1	0	0	114.2	L1018 H1022 A1064 K1065	L1018-E1061 HydrophobicContact CD2-CB 4.27Å; H1022-E1061 IonicContact CD2-OE1 3.87Å; H1022-E1061 IonicContact CE1-OE1 3.82Å; H1022-E1061 IonicContact NE2-OE1 2.7Å; H1022-E1061 PolarHBondContact NE2-OE1 2.87Å; E1061-A1064 PolarHBondContact O-N 2.85Å; E1061-K1065 VanDerWaalsContact O-CB 3.3Å; E1061-K1065 WeakPolarHBondContact O-CB 3.46Å; E1061-K1065 PolarHBondContact O-N 2.75Å
1062	E	95.2	Very high	93.2	Very high	129 Å²	129	58.5 Å²	58.5	60%	0.603	30%	0.303	S	S	*	.	H	α-helix	trans	-68.1	-42.6	179.1	-71.8	-59.6	148.4	0	0	111.6	N1060 A1064 K1065 K1066	N1060-E1062 PolarHBondContact O-N 2.7Å; N1060-E1062 PolarHBondContact OD1-N 2.69Å; N1060-E1062 VanDerWaalsContact OD1-N 3.15Å; E1062-A1064 VanDerWaalsContact C-N 3.34Å; E1062-K1065 PolarHBondContact O-N 2.71Å; E1062-K1066 WeakPolarHBondContact O-CB 3.46Å; E1062-K1066 PolarHBondContact O-N 3Å
1063	D	95.9	Very high	93.3	Very high	82 Å²	82	58.3 Å²	58.3	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-38.3	174.7	-71.7	-34	0	0	0	111.5	K1059 N1060 K1066 Y1067	K1059-D1063 HydrophobicContact CB-CB 4.24Å; K1059-D1063 HydrophobicContact CD-CB 4.36Å; N1060-D1063 PolarHBondContact ND2-OD2 2.84Å; N1060-D1063 WeakPolarHBondContact OD1-CB 3.3Å; N1060-D1063 PolarHBondContact OD1-N 2.85Å; N1060-D1063 PolarHBondContact OD1-OD2 2.8Å; D1063-K1066 PolarHBondContact O-N 2.97Å; D1063-Y1067 VanDerWaalsContact O-CB 3.26Å; D1063-Y1067 WeakPolarHBondContact O-CB 3.35Å; D1063-Y1067 PolarHBondContact O-N 2.84Å
1064	A	94.7	Very high	93.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.9	-44.9	175.8	0	0	0	0	0	111.9	Y1017 L1018 T1056 N1060 E1061 E1062 Y1067 F1068	Y1017-A1064 HydrophobicContact CE1-CB 4.11Å; Y1017-A1064 WeakPolarHBondContact CE1-O 3.14Å; L1018-A1064 HydrophobicContact CD2-CB 4.38Å; T1056-A1064 WeakPolarHBondContact OG1-CB 3.43Å; N1060-A1064 WeakPolarHBondContact O-CB 3.45Å; N1060-A1064 PolarHBondContact O-N 3.01Å; E1061-A1064 PolarHBondContact O-N 2.85Å; E1062-A1064 VanDerWaalsContact C-N 3.34Å; A1064-Y1067 PolarHBondContact O-N 2.9Å; A1064-F1068 PolarHBondContact O-N 2.9Å
1065	K	96.3	Very high	93.1	Very high	77 Å²	77	56.3 Å²	56.3	34%	0.335	30%	0.295	S	S	.	.	H	α-helix	trans	-58.6	-49.5	174	167.9	179.1	174.8	-169.7	0	111.3	V1014 E1061 E1062 Y1067 F1068 L1069	V1014-K1065 HydrophobicContact CG1-CB 4.2Å; V1014-K1065 HydrophobicContact CG1-CD 3.93Å; V1014-K1065 HydrophobicContact CG1-CG 3.69Å; V1014-K1065 HydrophobicContact CG2-CG 4.13Å; E1061-K1065 VanDerWaalsContact O-CB 3.3Å; E1061-K1065 WeakPolarHBondContact O-CB 3.46Å; E1061-K1065 PolarHBondContact O-N 2.75Å; E1062-K1065 PolarHBondContact O-N 2.71Å; K1065-Y1067 VanDerWaalsContact C-N 3.34Å; K1065-Y1067 PolarHBondContact O-N 2.99Å; K1065-F1068 PolarHBondContact O-N 2.79Å; K1065-L1069 HydrophobicContact CG-CD1 4.1Å; K1065-L1069 WeakPolarHBondContact O-CG 3.35Å; K1065-L1069 PolarHBondContact O-N 2.85Å
1066	K	96.1	Very high	92.8	Very high	131 Å²	131	58.5 Å²	58.5	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-59.6	-46.5	177.9	-176.7	178.5	177.2	-178.6	0	111.2	E1062 D1063 F1068 L1069 D1070	E1062-K1066 WeakPolarHBondContact O-CB 3.46Å; E1062-K1066 PolarHBondContact O-N 3Å; D1063-K1066 PolarHBondContact O-N 2.97Å; K1066-F1068 VanDerWaalsContact C-N 3.32Å; K1066-F1068 PolarHBondContact O-N 3.14Å; K1066-L1069 PolarHBondContact O-N 2.73Å; K1066-D1070 VanDerWaalsContact O-CG 3.25Å; K1066-D1070 PolarHBondContact O-N 2.94Å
1067	Y	94.4	Very high	92.4	Very high	67 Å²	67	63 Å²	63	26%	0.263	33%	0.327	S	S	.	.	H	α-helix	trans	-56.4	-44.4	177.5	172.7	-99.5	0	0	0	112.5	F940 T1056 D1063 A1064 K1065 D1070 Q1071	F940-Y1067 HydrophobicContact CE1-CE1 4.29Å; F940-Y1067 AromaticContact CZ-CE1 3.77Å; F940-Y1067 HydrophobicContact CZ-CE1 3.77Å; T1056-Y1067 HydrophobicContact CG2-CD1 3.31Å; T1056-Y1067 HydrophobicContact CG2-CD2 4.5Å; T1056-Y1067 HydrophobicContact CG2-CE1 3.64Å; T1056-Y1067 HydrophobicContact CG2-CG 3.78Å; D1063-Y1067 VanDerWaalsContact O-CB 3.26Å; D1063-Y1067 WeakPolarHBondContact O-CB 3.35Å; D1063-Y1067 PolarHBondContact O-N 2.84Å; A1064-Y1067 PolarHBondContact O-N 2.9Å; K1065-Y1067 VanDerWaalsContact C-N 3.34Å; K1065-Y1067 PolarHBondContact O-N 2.99Å; Y1067-D1070 WeakPolarHBondContact O-CB 3.02Å; Y1067-D1070 PolarHBondContact O-N 2.96Å; Y1067-Q1071 HydrophobicContact CE1-CG 4.38Å; Y1067-Q1071 WeakPolarHBondContact O-CG 3.29Å; Y1067-Q1071 PolarHBondContact O-N 3.49Å
1068	F	95.3	Very high	91.9	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-68.9	-39	178.6	-164.5	-89.4	0	0	0	112.5	V937 F940 F985 C1013 Y1017 A1064 K1065 K1066 D1070 Q1071 I1072	V937-F1068 HydrophobicContact CB-CZ 4.35Å; V937-F1068 HydrophobicContact CG2-CE1 4.03Å; V937-F1068 HydrophobicContact CG2-CE2 4.31Å; V937-F1068 HydrophobicContact CG2-CZ 3.56Å; F940-F1068 HydrophobicContact CB-CE2 4.3Å; F940-F1068 AromaticContact CD1-CD2 3.91Å; F940-F1068 HydrophobicContact CD1-CD2 3.91Å; F940-F1068 AromaticContact CD1-CE2 3.48Å; F940-F1068 HydrophobicContact CD1-CE2 3.48Å; F940-F1068 VanDerWaalsContact CD1-CE2 3.48Å; F940-F1068 AromaticContact CE1-CD2 3.93Å; F940-F1068 HydrophobicContact CE1-CD2 3.93Å; F940-F1068 AromaticContact CE1-CE2 3.99Å; F940-F1068 HydrophobicContact CE1-CE2 3.99Å; F940-F1068 AromaticContact CG-CE2 3.98Å; F940-F1068 HydrophobicContact CG-CE2 3.98Å; F985-F1068 HydrophobicContact CE1-CZ 4.2Å; C1013-F1068 HydrophobicContact CB-CD1 4.38Å; C1013-F1068 HydrophobicContact CB-CE1 3.76Å; Y1017-F1068 HydrophobicContact CD1-CB 3.78Å; Y1017-F1068 AromaticContact CD1-CD2 3.99Å; Y1017-F1068 HydrophobicContact CD1-CD2 3.99Å; Y1017-F1068 AromaticContact CD1-CG 3.98Å; Y1017-F1068 HydrophobicContact CD1-CG 3.98Å; Y1017-F1068 AromaticContact CD2-CD2 3.58Å; Y1017-F1068 HydrophobicContact CD2-CD2 3.58Å; Y1017-F1068 AromaticContact CD2-CE2 3.91Å; Y1017-F1068 HydrophobicContact CD2-CE2 3.91Å; Y1017-F1068 HydrophobicContact CD2-CG 4.34Å; Y1017-F1068 HydrophobicContact CE1-CB 3.92Å; Y1017-F1068 HydrophobicContact CE1-CD2 4.26Å; Y1017-F1068 HydrophobicContact CE1-CG 4.41Å; Y1017-F1068 AromaticContact CE2-CD2 3.89Å; Y1017-F1068 HydrophobicContact CE2-CD2 3.89Å; Y1017-F1068 HydrophobicContact CE2-CE2 4.46Å; Y1017-F1068 HydrophobicContact CG-CB 4.26Å; Y1017-F1068 AromaticContact CG-CD2 3.63Å; Y1017-F1068 HydrophobicContact CG-CD2 3.63Å; Y1017-F1068 HydrophobicContact CG-CE2 4.17Å; Y1017-F1068 AromaticContact CG-CG 3.93Å; Y1017-F1068 HydrophobicContact CG-CG 3.93Å; A1064-F1068 PolarHBondContact O-N 2.9Å; K1065-F1068 PolarHBondContact O-N 2.79Å; K1066-F1068 VanDerWaalsContact C-N 3.32Å; K1066-F1068 PolarHBondContact O-N 3.14Å; F1068-D1070 VanDerWaalsContact C-N 3.3Å; F1068-D1070 PolarHBondContact O-N 2.9Å; F1068-Q1071 WeakPolarHBondContact O-CB 3.45Å; F1068-Q1071 PolarHBondContact O-N 2.81Å; F1068-Q1071 VanDerWaalsContact O-N 3.13Å; F1068-I1072 HydrophobicContact CD1-CD1 4.06Å; F1068-I1072 HydrophobicContact CD1-CG1 4.38Å; F1068-I1072 HydrophobicContact CE1-CD1 3.97Å; F1068-I1072 HydrophobicContact CE1-CG1 4.16Å; F1068-I1072 PolarHBondContact O-N 3.4Å
1069	L	95.3	Very high	91.5	Very high	47 Å²	47	61.8 Å²	61.8	25%	0.246	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-38.5	173.5	-71.2	171.3	0	0	0	111.9	Q1010 V1014 K1065 K1066 Q1071 I1072 E1073	Q1010-L1069 HydrophobicContact CB-CD2 4.21Å; Q1010-L1069 HydrophobicContact CG-CD2 4.45Å; V1014-L1069 HydrophobicContact CG2-CD1 4.45Å; V1014-L1069 HydrophobicContact CG2-CD2 3.82Å; V1014-L1069 HydrophobicContact CG2-CG 3.96Å; K1065-L1069 HydrophobicContact CG-CD1 4.1Å; K1065-L1069 WeakPolarHBondContact O-CG 3.35Å; K1065-L1069 PolarHBondContact O-N 2.85Å; K1066-L1069 PolarHBondContact O-N 2.73Å; L1069-Q1071 VanDerWaalsContact C-N 3.28Å; L1069-Q1071 PolarHBondContact O-N 2.85Å; L1069-I1072 HydrophobicContact CD2-CD1 4.25Å; L1069-I1072 WeakPolarHBondContact O-CB 3.22Å; L1069-I1072 PolarHBondContact O-N 2.9Å; L1069-I1072 VanDerWaalsContact O-N 3.16Å; L1069-E1073 PolarHBondContact O-N 3.31Å; L1069-E1073 VanDerWaalsContact O-N 3.14Å
1070	D	94.1	Very high	90.7	Very high	80 Å²	80	58.8 Å²	58.8	43%	0.428	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-37.7	174.4	-66.7	-22.1	0	0	0	111	K1066 Y1067 F1068 I1072 E1073 V1074	K1066-D1070 VanDerWaalsContact O-CG 3.25Å; K1066-D1070 PolarHBondContact O-N 2.94Å; Y1067-D1070 WeakPolarHBondContact O-CB 3.02Å; Y1067-D1070 PolarHBondContact O-N 2.96Å; F1068-D1070 VanDerWaalsContact C-N 3.3Å; F1068-D1070 PolarHBondContact O-N 2.9Å; D1070-I1072 PolarHBondContact O-N 2.81Å; D1070-E1073 PolarHBondContact O-N 2.91Å; D1070-V1074 WeakPolarHBondContact O-CG2 3.43Å; D1070-V1074 PolarHBondContact O-N 3.36Å
1071	Q	93.1	Very high	89.8	Confident	35 Å²	35	58.1 Å²	58.1	16%	0.164	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-37.6	174.4	-60.3	-45.7	-55.4	0	0	112.7	F940 P984 F985 Y1067 F1068 L1069 E1073 V1074 C1075	F940-Q1071 HydrophobicContact CE2-CG 3.97Å; F940-Q1071 HydrophobicContact CZ-CG 4.04Å; P984-Q1071 HydrophobicContact CB-CB 4.24Å; P984-Q1071 HydrophobicContact CB-CG 4.45Å; P984-Q1071 HydrophobicContact CG-CB 3.84Å; P984-Q1071 HydrophobicContact CG-CG 4.46Å; F985-Q1071 HydrophobicContact CE1-CB 4Å; Y1067-Q1071 HydrophobicContact CE1-CG 4.38Å; Y1067-Q1071 WeakPolarHBondContact O-CG 3.29Å; Y1067-Q1071 PolarHBondContact O-N 3.49Å; F1068-Q1071 WeakPolarHBondContact O-CB 3.45Å; F1068-Q1071 PolarHBondContact O-N 2.81Å; F1068-Q1071 VanDerWaalsContact O-N 3.13Å; L1069-Q1071 VanDerWaalsContact C-N 3.28Å; L1069-Q1071 PolarHBondContact O-N 2.85Å; Q1071-E1073 VanDerWaalsContact C-N 3.35Å; Q1071-V1074 PolarHBondContact O-N 2.92Å; Q1071-C1075 PolarHBondContact O-N 2.78Å; Q1071-C1075 PolarHBondContact O-SG 2.9Å
1072	I	92.3	Very high	88.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-43.5	174.7	-66.8	169.4	0	0	0	110.7	F985 L987 F1006 F1009 Q1010 C1013 F1068 L1069 D1070 C1075 R1076	F985-I1072 HydrophobicContact CE2-CG1 4.45Å; F985-I1072 HydrophobicContact CZ-CB 4.42Å; F985-I1072 HydrophobicContact CZ-CG1 3.71Å; L987-I1072 HydrophobicContact CD2-CG2 3.96Å; F1006-I1072 HydrophobicContact CE2-CG2 4.37Å; F1006-I1072 HydrophobicContact CZ-CG2 4.03Å; F1009-I1072 HydrophobicContact CE1-CD1 4.32Å; F1009-I1072 HydrophobicContact CE1-CG2 4.29Å; Q1010-I1072 HydrophobicContact CG-CD1 4.35Å; C1013-I1072 HydrophobicContact CB-CD1 4.09Å; F1068-I1072 HydrophobicContact CD1-CD1 4.06Å; F1068-I1072 HydrophobicContact CD1-CG1 4.38Å; F1068-I1072 HydrophobicContact CE1-CD1 3.97Å; F1068-I1072 HydrophobicContact CE1-CG1 4.16Å; F1068-I1072 PolarHBondContact O-N 3.4Å; L1069-I1072 HydrophobicContact CD2-CD1 4.25Å; L1069-I1072 WeakPolarHBondContact O-CB 3.22Å; L1069-I1072 PolarHBondContact O-N 2.9Å; L1069-I1072 VanDerWaalsContact O-N 3.16Å; D1070-I1072 PolarHBondContact O-N 2.81Å; I1072-C1075 WeakPolarHBondContact O-CB 3.24Å; I1072-C1075 PolarHBondContact O-N 3.47Å; I1072-R1076 PolarHBondContact O-N 3.12Å; I1072-R1076 VanDerWaalsContact O-N 3.12Å
1073	E	90.5	Very high	87.5	Confident	56 Å²	56	48.6 Å²	48.6	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-66.4	-37.2	178.9	-72	-61.9	150.2	0	0	112.4	L1069 D1070 Q1071 C1075 R1076 D1077	L1069-E1073 PolarHBondContact O-N 3.31Å; L1069-E1073 VanDerWaalsContact O-N 3.14Å; D1070-E1073 PolarHBondContact O-N 2.91Å; Q1071-E1073 VanDerWaalsContact C-N 3.35Å; E1073-C1075 VanDerWaalsContact C-N 3.3Å; E1073-C1075 PolarHBondContact O-N 2.91Å; E1073-R1076 PolarHBondContact O-N 3.13Å; E1073-R1076 IonicContact OE1-CZ 3.71Å; E1073-R1076 IonicContact OE1-NE 3.82Å; E1073-R1076 IonicContact OE1-NH2 2.69Å; E1073-R1076 PolarHBondContact OE1-NH2 2.97Å; E1073-R1076 IonicContact OE2-CZ 3.19Å; E1073-R1076 IonicContact OE2-NE 2.84Å; E1073-R1076 PolarHBondContact OE2-NE 2.86Å; E1073-R1076 IonicContact OE2-NH2 2.73Å; E1073-R1076 PolarHBondContact OE2-NH2 3.21Å; E1073-D1077 PolarHBondContact O-N 3.06Å
1074	V	89.2	Confident	86.4	Confident	58 Å²	58	48.9 Å²	48.9	35%	0.352	24%	0.239	S	C	.	.	H	α-helix	trans	-57.1	-43.6	172.5	170.5	0	0	0	0	111.2	D1070 Q1071 D1077 K1078	D1070-V1074 WeakPolarHBondContact O-CG2 3.43Å; D1070-V1074 PolarHBondContact O-N 3.36Å; Q1071-V1074 PolarHBondContact O-N 2.92Å; V1074-D1077 PolarHBondContact O-N 3.46Å; V1074-K1078 VanDerWaalsContact O-CG 3.28Å; V1074-K1078 WeakPolarHBondContact O-CG 3.34Å; V1074-K1078 PolarHBondContact O-N 2.96Å
1075	C	87.3	Confident	85.2	Confident	2 Å²	2	51 Å²	51	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-44.5	176.6	-66.1	0	0	0	0	111.9	P984 F985 L987 Q1071 I1072 E1073 D1077 K1078 G1079	P984-C1075 VanDerWaalsContact CD-SG 3.56Å; P984-C1075 VanDerWaalsContact CG-SG 3.56Å; F985-C1075 HydrophobicContact CE2-CB 4.46Å; F985-C1075 PolarHBondContact O-SG 2.79Å; L987-C1075 HydrophobicContact CB-CB 3.88Å; L987-C1075 HydrophobicContact CD2-CB 4.41Å; Q1071-C1075 PolarHBondContact O-N 2.78Å; Q1071-C1075 PolarHBondContact O-SG 2.9Å; I1072-C1075 WeakPolarHBondContact O-CB 3.24Å; I1072-C1075 PolarHBondContact O-N 3.47Å; E1073-C1075 VanDerWaalsContact C-N 3.3Å; E1073-C1075 PolarHBondContact O-N 2.91Å; C1075-D1077 VanDerWaalsContact C-N 3.32Å; C1075-D1077 PolarHBondContact O-N 2.92Å; C1075-K1078 PolarHBondContact O-N 2.89Å; C1075-G1079 PolarHBondContact O-N 2.64Å
1076	R	85.4	Confident	83.7	Confident	46 Å²	46	48.4 Å²	48.4	17%	0.174	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-40.6	179.1	-169.9	172.2	72.6	155.5	3.3	112.3	L992 K1000 I1072 E1073 K1078	L992-R1076 HydrophobicContact CD1-CG 3.93Å; K1000-R1076 VanDerWaalsContact C-NH1 3.33Å; K1000-R1076 PolarHBondContact O-NH1 2.82Å; I1072-R1076 PolarHBondContact O-N 3.12Å; I1072-R1076 VanDerWaalsContact O-N 3.12Å; E1073-R1076 PolarHBondContact O-N 3.13Å; E1073-R1076 IonicContact OE1-CZ 3.71Å; E1073-R1076 IonicContact OE1-NE 3.82Å; E1073-R1076 IonicContact OE1-NH2 2.69Å; E1073-R1076 PolarHBondContact OE1-NH2 2.97Å; E1073-R1076 IonicContact OE2-CZ 3.19Å; E1073-R1076 IonicContact OE2-NE 2.84Å; E1073-R1076 PolarHBondContact OE2-NE 2.86Å; E1073-R1076 IonicContact OE2-NH2 2.73Å; E1073-R1076 PolarHBondContact OE2-NH2 3.21Å; R1076-K1078 VanDerWaalsContact C-N 3.32Å; R1076-K1078 PolarHBondContact O-N 2.91Å
1077	D	85.6	Confident	82.4	Confident	99 Å²	99	43.3 Å²	43.3	53%	0.529	22%	0.217	S	C	.	.	H	α-helix	trans	-69.5	-27	178.7	-79.1	-15.9	0	0	0	113.4	K1000 E1073 V1074 C1075	K1000-D1077 WeakPolarHBondContact CE-OD1 3.47Å; K1000-D1077 IonicContact NZ-OD1 3.39Å; K1000-D1077 PolarHBondContact NZ-OD1 3.32Å; K1000-D1077 IonicContact NZ-OD2 3.66Å; E1073-D1077 PolarHBondContact O-N 3.06Å; V1074-D1077 PolarHBondContact O-N 3.46Å; C1075-D1077 VanDerWaalsContact C-N 3.32Å; C1075-D1077 PolarHBondContact O-N 2.92Å
1078	K	81.5	Confident	81.1	Confident	85 Å²	85	42.1 Å²	42.1	37%	0.37	22%	0.215	S	C	.	.	H	α-helix	trans	-80.5	-23.6	-179.7	-70.3	-73.3	-173.9	-172.6	0	113.5	V983 V1074 C1075 R1076 W1080 T1081	V983-K1078 HydrophobicContact CG1-CB 3.65Å; V983-K1078 HydrophobicContact CG1-CG 3.66Å; V1074-K1078 VanDerWaalsContact O-CG 3.28Å; V1074-K1078 WeakPolarHBondContact O-CG 3.34Å; V1074-K1078 PolarHBondContact O-N 2.96Å; C1075-K1078 PolarHBondContact O-N 2.89Å; R1076-K1078 VanDerWaalsContact C-N 3.32Å; R1076-K1078 PolarHBondContact O-N 2.91Å; K1078-W1080 PolarHBondContact O-N 2.93Å; K1078-T1081 WeakPolarHBondContact O-CB 3.36Å; K1078-T1081 PolarHBondContact O-N 3.39Å; K1078-T1081 VanDerWaalsContact O-N 3.09Å; K1078-T1081 PolarHBondContact O-OG1 3.36Å
1079	G	78.8	Confident	79.5	Confident	22 Å²	22	45.4 Å²	45.4	23%	0.227	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-133.2	178.1	0	0	0	0	0	113.5	C1075 T1081	C1075-G1079 PolarHBondContact O-N 2.64Å; G1079-T1081 VanDerWaalsContact C-N 3.27Å; G1079-T1081 PolarHBondContact O-N 3.37Å
1080	W	76.6	Confident	77.9	Confident	43 Å²	43	47.4 Å²	47.4	16%	0.163	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-6.6	179.1	-71.9	113.1	0	0	0	115.2	F902 D904 T988 P989 D990 K1078 V1082 Q1083 F1084	F902-W1080 HydrophobicContact CB-CD2 3.73Å; F902-W1080 HydrophobicContact CB-CE3 3.64Å; F902-W1080 HydrophobicContact CB-CH2 3.69Å; F902-W1080 HydrophobicContact CB-CZ2 3.79Å; F902-W1080 HydrophobicContact CB-CZ3 3.62Å; F902-W1080 HydrophobicContact CD2-CD2 4.33Å; F902-W1080 AromaticContact CD2-CE3 3.67Å; F902-W1080 HydrophobicContact CD2-CE3 3.67Å; F902-W1080 AromaticContact CD2-CZ3 3.97Å; F902-W1080 HydrophobicContact CD2-CZ3 3.97Å; F902-W1080 HydrophobicContact CG-CD2 4.42Å; F902-W1080 AromaticContact CG-CE3 3.87Å; F902-W1080 HydrophobicContact CG-CE3 3.87Å; F902-W1080 HydrophobicContact CG-CH2 4.28Å; F902-W1080 AromaticContact CG-CZ3 3.8Å; F902-W1080 HydrophobicContact CG-CZ3 3.8Å; D904-W1080 PolarHBondContact OD1-NE1 3.45Å; T988-W1080 HydrophobicContact CG2-CE3 4.49Å; T988-W1080 HydrophobicContact CG2-CZ3 4.31Å; P989-W1080 HydrophobicContact CB-CZ2 4.37Å; P989-W1080 HydrophobicContact CG-CD2 4.23Å; P989-W1080 HydrophobicContact CG-CG 4.03Å; D990-W1080 HydrophobicContact CB-CH2 3.91Å; D990-W1080 HydrophobicContact CB-CZ2 3.83Å; D990-W1080 WeakPolarHBondContact OD1-CH2 3.33Å; D990-W1080 WeakPolarHBondContact OD2-CH2 3.42Å; K1078-W1080 PolarHBondContact O-N 2.93Å; W1080-V1082 PolarHBondContact O-N 3.18Å; W1080-V1082 VanDerWaalsContact O-N 3.09Å; W1080-Q1083 HydrophobicContact CE3-CB 3.99Å; W1080-Q1083 HydrophobicContact CE3-CG 4.32Å; W1080-Q1083 HydrophobicContact CZ3-CB 4.34Å; W1080-Q1083 HydrophobicContact CZ3-CG 4.4Å; W1080-Q1083 PolarHBondContact O-N 3.44Å; W1080-Q1083 VanDerWaalsContact O-N 3.17Å; W1080-F1084 WeakPolarHBondContact O-CB 3.35Å; W1080-F1084 PolarHBondContact O-N 2.95Å
1081	T	75.1	Confident	76.4	Confident	73 Å²	73	47.4 Å²	47.4	45%	0.448	24%	0.243	S	C	.	.	H	α-helix	trans	-54.8	-39.1	-169.3	-50.1	0	0	0	0	112.5	K1078 G1079 N1085	K1078-T1081 WeakPolarHBondContact O-CB 3.36Å; K1078-T1081 PolarHBondContact O-N 3.39Å; K1078-T1081 VanDerWaalsContact O-N 3.09Å; K1078-T1081 PolarHBondContact O-OG1 3.36Å; G1079-T1081 VanDerWaalsContact C-N 3.27Å; G1079-T1081 PolarHBondContact O-N 3.37Å; T1081-N1085 PolarHBondContact O-N 2.92Å; T1081-N1085 PolarHBondContact O-ND2 2.83Å
1082	V	70.3	Confident	74.7	Confident	11 Å²	11	50.7 Å²	50.7	7%	0.067	26%	0.261	C	S	.	.	H	α-helix	trans	-74.7	-46	-178.4	178.9	0	0	0	0	111.8	R982 V983 W1080 F1084 N1085 W1086	R982-V1082 HydrophobicContact CB-CG2 4.11Å; V983-V1082 HydrophobicContact CB-CG2 4.44Å; V983-V1082 HydrophobicContact CG1-CG2 3.69Å; V983-V1082 HydrophobicContact CG2-CB 4.37Å; V983-V1082 HydrophobicContact CG2-CG1 4.07Å; V983-V1082 HydrophobicContact CG2-CG2 4.01Å; W1080-V1082 PolarHBondContact O-N 3.18Å; W1080-V1082 VanDerWaalsContact O-N 3.09Å; V1082-F1084 VanDerWaalsContact C-N 3.35Å; V1082-F1084 PolarHBondContact O-N 2.9Å; V1082-N1085 PolarHBondContact O-N 2.75Å; V1082-W1086 PolarHBondContact O-N 3.03Å
1083	Q	70.5	Confident	72.7	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.028	29%	0.287	C	S	.	.	H	α-helix	trans	-67.7	-35.3	179.1	-65	-54.7	-31.7	0	0	112.2	F902 R947 H948 N949 T988 W1080 W1086 F1087	F902-Q1083 HydrophobicContact CE2-CB 4.22Å; R947-Q1083 PolarHBondContact O-NE2 3.33Å; R947-Q1083 VanDerWaalsContact O-NE2 3.16Å; H948-Q1083 VanDerWaalsContact CA-OE1 3.25Å; N949-Q1083 PolarHBondContact OD1-OE1 2.94Å; T988-Q1083 HydrophobicContact CG2-CG 3.63Å; W1080-Q1083 HydrophobicContact CE3-CB 3.99Å; W1080-Q1083 HydrophobicContact CE3-CG 4.32Å; W1080-Q1083 HydrophobicContact CZ3-CB 4.34Å; W1080-Q1083 HydrophobicContact CZ3-CG 4.4Å; W1080-Q1083 PolarHBondContact O-N 3.44Å; W1080-Q1083 VanDerWaalsContact O-N 3.17Å; Q1083-W1086 PolarHBondContact O-N 3.07Å; Q1083-F1087 WeakPolarHBondContact O-CB 3.2Å; Q1083-F1087 PolarHBondContact O-N 3.39Å
1084	F	72	Confident	70.3	Confident	89 Å²	89	54 Å²	54	39%	0.39	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-44.4	173.8	-175.3	-106	0	0	0	111.9	G900 W1080 V1082 W1086 F1087 L1088	G900-F1084 VanDerWaalsContact O-CD2 3.31Å; G900-F1084 WeakPolarHBondContact O-CD2 3.47Å; W1080-F1084 WeakPolarHBondContact O-CB 3.35Å; W1080-F1084 PolarHBondContact O-N 2.95Å; V1082-F1084 VanDerWaalsContact C-N 3.35Å; V1082-F1084 PolarHBondContact O-N 2.9Å; F1084-W1086 VanDerWaalsContact C-N 3.32Å; F1084-W1086 PolarHBondContact O-N 2.88Å; F1084-F1087 WeakPolarHBondContact O-CB 3.48Å; F1084-F1087 PolarHBondContact O-N 2.82Å; F1084-L1088 HydrophobicContact CD1-CD1 3.89Å; F1084-L1088 HydrophobicContact CD1-CG 4.27Å; F1084-L1088 HydrophobicContact CE1-CD1 3.47Å; F1084-L1088 VanDerWaalsContact CE1-CD1 3.47Å; F1084-L1088 HydrophobicContact CE1-CD2 4.3Å; F1084-L1088 HydrophobicContact CE1-CG 3.95Å; F1084-L1088 HydrophobicContact CZ-CD1 4.05Å; F1084-L1088 HydrophobicContact CZ-CD2 4.03Å; F1084-L1088 HydrophobicContact CZ-CG 4.13Å; F1084-L1088 WeakPolarHBondContact O-CG 3.47Å; F1084-L1088 PolarHBondContact O-N 2.71Å
1085	N	69.1	Low	67.8	Low	45 Å²	45	60.3 Å²	60.3	24%	0.241	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-41.1	174.9	-71.6	-30.8	0	0	0	111.5	T1081 V1082 L1088 H1089	T1081-N1085 PolarHBondContact O-N 2.92Å; T1081-N1085 PolarHBondContact O-ND2 2.83Å; V1082-N1085 PolarHBondContact O-N 2.75Å; N1085-L1088 PolarHBondContact O-N 2.77Å; N1085-H1089 PolarHBondContact O-CD2 2.9Å; N1085-H1089 PolarHBondContact O-N 2.86Å
1086	W	65.2	Low	65.3	Low	21 Å²	21	66.2 Å²	66.2	8%	0.08	34%	0.342	C	S	.	.	H	α-helix	trans	-60.6	-45.8	173.8	-89.6	112.7	0	0	0	112.4	D946 H948 K980 V1082 Q1083 F1084 L1088 H1089 L1090	D946-W1086 HydrophobicContact CB-CH2 4.4Å; D946-W1086 WeakPolarHBondContact OD1-CH2 3.24Å; D946-W1086 WeakPolarHBondContact OD1-CZ2 3.45Å; D946-W1086 WeakPolarHBondContact OD1-CZ3 3.46Å; H948-W1086 HydrophobicContact CB-CB 4.13Å; H948-W1086 HydrophobicContact CB-CD2 4.35Å; H948-W1086 HydrophobicContact CB-CG 4.05Å; K980-W1086 HydrophobicContact CD-CH2 4.36Å; V1082-W1086 PolarHBondContact O-N 3.03Å; Q1083-W1086 PolarHBondContact O-N 3.07Å; F1084-W1086 VanDerWaalsContact C-N 3.32Å; F1084-W1086 PolarHBondContact O-N 2.88Å; W1086-L1088 PolarHBondContact O-N 2.98Å; W1086-H1089 PolarHBondContact O-N 2.85Å; W1086-L1090 HydrophobicContact CB-CD1 4.47Å; W1086-L1090 HydrophobicContact CE3-CD1 3.65Å; W1086-L1090 HydrophobicContact CE3-CG 4.13Å; W1086-L1090 HydrophobicContact CZ3-CD1 4.31Å; W1086-L1090 WeakPolarHBondContact O-CB 3.45Å; W1086-L1090 PolarHBondContact O-N 2.84Å
1087	F	69.4	Low	62.6	Low	24 Å²	24	67.1 Å²	67.1	11%	0.105	37%	0.366	C	S	.	.	H	α-helix	trans	-57.6	-48.7	175.5	175.7	-89.3	0	0	0	112	N898 T899 F902 Q1083 F1084 H1089 L1090 V1091	N898-F1087 WeakPolarHBondContact O-CZ 3.43Å; T899-F1087 VanDerWaalsContact C-CZ 3.43Å; F902-F1087 HydrophobicContact CE2-CB 4.12Å; F902-F1087 HydrophobicContact CZ-CB 3.97Å; F902-F1087 HydrophobicContact CZ-CD2 4.02Å; F902-F1087 HydrophobicContact CZ-CG 4.17Å; Q1083-F1087 WeakPolarHBondContact O-CB 3.2Å; Q1083-F1087 PolarHBondContact O-N 3.39Å; F1084-F1087 WeakPolarHBondContact O-CB 3.48Å; F1084-F1087 PolarHBondContact O-N 2.82Å; F1087-H1089 VanDerWaalsContact C-N 3.25Å; F1087-H1089 PolarHBondContact O-N 3.23Å; F1087-L1090 PolarHBondContact O-N 3.31Å; F1087-V1091 HydrophobicContact CD2-CB 4.26Å; F1087-V1091 HydrophobicContact CD2-CG2 3.69Å; F1087-V1091 HydrophobicContact CE1-CB 4.43Å; F1087-V1091 HydrophobicContact CE2-CB 3.96Å; F1087-V1091 HydrophobicContact CE2-CG1 4.04Å; F1087-V1091 HydrophobicContact CE2-CG2 3.63Å; F1087-V1091 HydrophobicContact CG-CG2 4.36Å; F1087-V1091 HydrophobicContact CZ-CB 4.02Å; F1087-V1091 HydrophobicContact CZ-CG1 3.89Å; F1087-V1091 HydrophobicContact CZ-CG2 4.22Å; F1087-V1091 WeakPolarHBondContact O-CB 2.99Å; F1087-V1091 PolarHBondContact O-N 3.24Å
1088	L	67.4	Low	59.7	Low	42 Å²	42	69.5 Å²	69.5	22%	0.22	37%	0.374	C	S	.	.	H	α-helix	trans	-58.5	-38.1	177.2	-69.7	179.7	0	0	0	112.2	F1084 N1085 W1086 L1092 I1094	F1084-L1088 HydrophobicContact CD1-CD1 3.89Å; F1084-L1088 HydrophobicContact CD1-CG 4.27Å; F1084-L1088 HydrophobicContact CE1-CD1 3.47Å; F1084-L1088 VanDerWaalsContact CE1-CD1 3.47Å; F1084-L1088 HydrophobicContact CE1-CD2 4.3Å; F1084-L1088 HydrophobicContact CE1-CG 3.95Å; F1084-L1088 HydrophobicContact CZ-CD1 4.05Å; F1084-L1088 HydrophobicContact CZ-CD2 4.03Å; F1084-L1088 HydrophobicContact CZ-CG 4.13Å; F1084-L1088 WeakPolarHBondContact O-CG 3.47Å; F1084-L1088 PolarHBondContact O-N 2.71Å; N1085-L1088 PolarHBondContact O-N 2.77Å; W1086-L1088 PolarHBondContact O-N 2.98Å; L1088-L1092 HydrophobicContact CD2-CD1 3.49Å; L1088-L1092 VanDerWaalsContact CD2-CD1 3.49Å; L1088-L1092 WeakPolarHBondContact O-CB 3.5Å; L1088-L1092 PolarHBondContact O-N 3.18Å; L1088-I1094 HydrophobicContact CB-CD1 4.41Å; L1088-I1094 HydrophobicContact CD2-CD1 4.35Å
1089	H	61.2	Low	57.1	Low	69 Å²	69	75.1 Å²	75.1	32%	0.319	40%	0.398	S	S	.	.	H	α-helix	trans	-76.4	-41.9	180	-77.9	-58.2	0	0	0	113.6	N1085 W1086 F1087	N1085-H1089 PolarHBondContact O-CD2 2.9Å; N1085-H1089 PolarHBondContact O-N 2.86Å; W1086-H1089 PolarHBondContact O-N 2.85Å; F1087-H1089 VanDerWaalsContact C-N 3.25Å; F1087-H1089 PolarHBondContact O-N 3.23Å
1090	L	62.7	Low	54.8	Low	90 Å²	90	82 Å²	82	47%	0.471	42%	0.424	S	S	.	.	H	α-helix	trans	-76.9	-44.6	-177.3	-82.3	154.8	0	0	0	112.3	W1086 F1087	W1086-L1090 HydrophobicContact CB-CD1 4.47Å; W1086-L1090 HydrophobicContact CE3-CD1 3.65Å; W1086-L1090 HydrophobicContact CE3-CG 4.13Å; W1086-L1090 HydrophobicContact CZ3-CD1 4.31Å; W1086-L1090 WeakPolarHBondContact O-CB 3.45Å; W1086-L1090 PolarHBondContact O-N 2.84Å; F1087-L1090 PolarHBondContact O-N 3.31Å
1091	V	62.5	Low	52.4	Low	80 Å²	80	85.5 Å²	85.5	49%	0.485	46%	0.455	S	S	.	.	H	α-helix	trans	-94.4	-41.9	-168.8	-178.4	0	0	0	0	112.2	F1087	F1087-V1091 HydrophobicContact CD2-CB 4.26Å; F1087-V1091 HydrophobicContact CD2-CG2 3.69Å; F1087-V1091 HydrophobicContact CE1-CB 4.43Å; F1087-V1091 HydrophobicContact CE2-CB 3.96Å; F1087-V1091 HydrophobicContact CE2-CG1 4.04Å; F1087-V1091 HydrophobicContact CE2-CG2 3.63Å; F1087-V1091 HydrophobicContact CG-CG2 4.36Å; F1087-V1091 HydrophobicContact CZ-CB 4.02Å; F1087-V1091 HydrophobicContact CZ-CG1 3.89Å; F1087-V1091 HydrophobicContact CZ-CG2 4.22Å; F1087-V1091 WeakPolarHBondContact O-CB 2.99Å; F1087-V1091 PolarHBondContact O-N 3.24Å
1092	L	56.2	Low	50.2	Low	104 Å²	104	90.3 Å²	90.3	55%	0.545	50%	0.502	S	S	.	.	S	Bend	trans	-92.5	-4	-176.4	-59.3	-177.7	0	0	0	113.6	L1088 I1094	L1088-L1092 HydrophobicContact CD2-CD1 3.49Å; L1088-L1092 VanDerWaalsContact CD2-CD1 3.49Å; L1088-L1092 WeakPolarHBondContact O-CB 3.5Å; L1088-L1092 PolarHBondContact O-N 3.18Å; L1092-I1094 HydrophobicContact CB-CD1 4.11Å; L1092-I1094 HydrophobicContact CB-CG1 3.81Å; L1092-I1094 HydrophobicContact CD1-CD1 4.2Å; L1092-I1094 PolarHBondContact O-N 2.68Å
1093	G	49.7	Very low	49.2	Very low	52 Å²	52	94.3 Å²	94.3	54%	0.536	52%	0.524	S	S	.	.			trans	55.5	25.7	177.2	0	0	0	0	0	113.9	K1095	G1093-K1095 VanDerWaalsContact C-N 3.31Å; G1093-K1095 PolarHBondContact O-N 3.33Å
1094	I	40.6	Very low	48	Very low	74 Å²	74	98.9 Å²	98.9	38%	0.379	55%	0.55	S	S	.	*			trans	-63.6	94.1	-176.4	-58.5	176.9	0	0	0	108.4	L1088 L1092 Q1096	L1088-I1094 HydrophobicContact CB-CD1 4.41Å; L1088-I1094 HydrophobicContact CD2-CD1 4.35Å; L1092-I1094 HydrophobicContact CB-CD1 4.11Å; L1092-I1094 HydrophobicContact CB-CG1 3.81Å; L1092-I1094 HydrophobicContact CD1-CD1 4.2Å; L1092-I1094 PolarHBondContact O-N 2.68Å; I1094-Q1096 VanDerWaalsContact C-N 3.34Å; I1094-Q1096 HydrophobicContact CG2-CG 3.88Å; I1094-Q1096 PolarHBondContact O-N 2.66Å
1095	K	37.7	Very low	46.7	Very low	190 Å²	190	99.4 Å²	99.4	83%	0.826	56%	0.559	S	S	*	*			trans	-69.8	94.7	154.2	-70.7	-174.1	177.4	-173.7	0	105.9	G1093 G1097	G1093-K1095 VanDerWaalsContact C-N 3.31Å; G1093-K1095 PolarHBondContact O-N 3.33Å; K1095-G1097 PolarHBondContact O-N 2.99Å
1096	Q	34.7	Very low	45.4	Very low	126 Å²	126	102.6 Å²	102.6	59%	0.589	58%	0.578	S	S	*	*			trans	-62	113.1	161.3	-78.2	-173.8	-12.4	0	0	106.4	F975 I1094 E1098	F975-Q1096 HydrophobicContact CE1-CB 4.17Å; F975-Q1096 HydrophobicContact CZ-CB 4.4Å; I1094-Q1096 VanDerWaalsContact C-N 3.34Å; I1094-Q1096 HydrophobicContact CG2-CG 3.88Å; I1094-Q1096 PolarHBondContact O-N 2.66Å; Q1096-E1098 PolarHBondContact O-N 3.36Å
1097	G	27.1	Very low	44.1	Very low	65 Å²	65	107.8 Å²	107.8	67%	0.67	61%	0.609	S	S	*	*			trans	-57.4	133.2	-158.7	0	0	0	0	0	114.4	K1095 K1099	K1095-G1097 PolarHBondContact O-N 2.99Å; G1097-K1099 PolarHBondContact O-N 2.92Å
1098	E	26.3	Very low	42.5	Very low	149 Å²	149	113.3 Å²	113.3	70%	0.696	64%	0.642	S	S	*	*			trans	-61.4	102.5	153.2	-72.5	177.3	157.6	0	0	107.3	Q1096 H1100	Q1096-E1098 PolarHBondContact O-N 3.36Å; E1098-H1100 VanDerWaalsContact C-N 3.31Å; E1098-H1100 PolarHBondContact O-N 3.39Å; E1098-H1100 VanDerWaalsContact O-N 3.14Å; E1098-H1100 IonicContact OE2-CE1 3.92Å
1099	K	25.6	Very low	40.7	Very low	203 Å²	203	118.4 Å²	118.4	88%	0.883	67%	0.673	S	S	*	*			trans	-68.9	102.9	149.9	-84.9	-172.9	176	-178.7	0	105.6	G1097 S1101	G1097-K1099 PolarHBondContact O-N 2.92Å; K1099-S1101 VanDerWaalsContact C-N 3.34Å; K1099-S1101 PolarHBondContact O-N 3.26Å
1100	H	30.2	Very low	39.1	Very low	166 Å²	166	122.2 Å²	122.2	77%	0.769	70%	0.7	S	S	*	*			trans	-57	103	158.4	-71.4	-49.4	0	0	0	107.5	E1098	E1098-H1100 VanDerWaalsContact C-N 3.31Å; E1098-H1100 PolarHBondContact O-N 3.39Å; E1098-H1100 VanDerWaalsContact O-N 3.14Å; E1098-H1100 IonicContact OE2-CE1 3.92Å
1101	S	26.6	Very low	37.1	Very low	116 Å²	116	124.9 Å²	124.9	81%	0.811	72%	0.719	S	S	*	*			trans	-78.3	118.7	157	54	0	0	0	0	106.8	K1099	K1099-S1101 VanDerWaalsContact C-N 3.34Å; K1099-S1101 PolarHBondContact O-N 3.26Å
1102	A	28.4	Very low	34.8	Very low	174 Å²	174	129 Å²	129	100%	1.438	74%	0.74	S	S	*	*			trans	-52.8	0	178.9	0	0	0	0	0	114.1

Retrieved 1,102 of 1,102 residues in 229 ms (Link to these results)

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