A0A087XJD0_POEFO Loading...

NLR family member X1

AlphaFold DB , UniProt , Accession A0A087XJD0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 956 aa.

						>A0A087XJD0_POEFO|A0A087XJD0
MMSILLRQRIQLPAAWRWKKRRDSFCCHCMTFSTISSNQDPVEIHKRKLFLWFSHLPKEEKQFGGLFSPETMHVDPLILERKDEERAGLLQSPYKTQTSSSHSLTVEQLFDPTDAWSEGRGLNVLLYGAVGTGKATIVRKLVLDWCAGNTMTHFKLLLPFTCEDLSQLTKAVSLRDLVGRKYLHLKNHPLLSGDRDHAKDVLFLFNGMEKMQLDFRIGSSELCSDPNEPLPPSVLIVNLLRKYLLPEASILMATRLSAVERIPQKYVSRYAQICGFNDPDRQRAYFTSRLLQSEEAAQNKEAQTLIELLYLHLQSESQLAAACFLPSYCWLTCATLHFLHFTTTQAPIRTLTGIYTSFFRLNFGGEVLGTRTGTSPSSQEHQSSLMRYVVLTVGKLAYDGVMNKRTSFSDKELEQWIGGKTKTDEELHQLAVFQTDVLDFFLAPCVKSGNHSSKELCEDNEKLYVFAVPALQEYLAALYIVLGENKSALQKLTSQVSVAIGQASEDVSALVNILSKFIPLRLFAIFNLLKLFPKLYEKISSYNKGKIARTMAVEMFRTEDSHNDDVLDQVEQSLLGVHGPQPQQFDDSKSFELYPIFMGGLLQYSNRVLLQQLDCNVQSTTVVQITRALRKHLVRELSKPQPPEELMDLLVLLYEFQNPRLTVEVLSSIKSICLTNVRMTSLKCFILSSVLSCASASYHLKELDLSSCLLTHNMLQMLAPAFRHAHSLNLQFNNLGPDSCILLKDLLLDPKTCISSLQLCDNPLLDSGVRILLEALPQNQSLIYLSLMHTGLGNSGALELAERLPQHTGLQELNVAYNAISEEAAVALVDACREHPTIHTLHLYFNPITDEGKQSLYGRGLTGNQGNNQQVKVLASVTEGSDISGGWHPILRVIQENASSWDHKRVKQQLKVFLQDLEWGREKQTSFWRRLHFRKVQKKVQATLQRLEKDSSSKTK
					

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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	32	Very low	25.3	Very low	231 Å²	231	161.9 Å²	161.9	100%	1.138	78%	0.779	S	S	*	*				0	108.2	0	-72.9	155.4	172.8	0	0	106.7
2	M	23.2	Very low	25.6	Very low	171 Å²	171	162 Å²	162	84%	0.842	79%	0.785	S	S	*	*				69.3	90.3	97.3	-69.6	-179.9	78.3	0	0	110.6
3	S	24.1	Very low	25.8	Very low	92 Å²	92	159.2 Å²	159.2	64%	0.643	79%	0.787	S	S	*	*				81.1	126.4	79.1	67.3	0	0	0	0	111.2
4	I	28.6	Very low	25.6	Very low	141 Å²	141	154.2 Å²	154.2	72%	0.723	78%	0.784	S	S	*	*				-158.6	136.6	69.4	-91.7	170.8	0	0	0	111.8
5	L	27	Very low	25.3	Very low	142 Å²	142	149.9 Å²	149.9	74%	0.743	78%	0.781	S	S	*	*			trans	28.5	144.4	133.7	-45.5	176.5	0	0	0	120.8
6	L	25	Very low	25.1	Very low	130 Å²	130	153.2 Å²	153.2	68%	0.681	78%	0.78	S	S	*	*			cis	-166.1	168	-18.5	-154.2	75.9	0	0	0	110.4
7	R	23.2	Very low	24.9	Very low	197 Å²	197	156.5 Å²	156.5	74%	0.743	78%	0.781	S	S	*	*			trans	-22.6	163	153.2	-56	164	172.3	168.6	-3.7	116.1
8	Q	25	Very low	25	Very low	130 Å²	130	161.9 Å²	161.9	61%	0.607	79%	0.791	S	S	*	*			cis	-174.3	155.8	45.6	-153.1	156.7	31.3	0	0	116
9	R	22.8	Very low	24.8	Very low	201 Å²	201	164.5 Å²	164.5	76%	0.758	80%	0.798	S	S	*	*			trans	34.9	121.5	152.8	-73	170.8	179.5	164.7	-5.5	119.8
10	I	26.4	Very low	25	Very low	154 Å²	154	166.6 Å²	166.6	79%	0.79	80%	0.802	S	S	*	*				58.5	106	64.9	-53.1	166.4	0	0	0	114.5
11	Q	21.5	Very low	24.9	Very low	192 Å²	192	170 Å²	170	90%	0.897	81%	0.807	S	S	*	*				-168.4	151.1	123.9	-108.8	175.3	-12.9	0	0	112.8
12	L	28.2	Very low	24.5	Very low	163 Å²	163	169.4 Å²	169.4	85%	0.853	79%	0.792	S	S	*	*			trans	-95	158.4	173.7	-75.8	155.1	0	0	0	110
13	P	29	Very low	24.6	Very low	125 Å²	125	167.9 Å²	167.9	81%	0.812	79%	0.787	S	S	*	*				-151.1	141.8	100.6	36.9	-19	0	0	0	118.3
14	A	22.3	Very low	24.6	Very low	90 Å²	90	168.2 Å²	168.2	74%	0.744	79%	0.789	S	S	*	*			trans	39.5	130.5	136.8	0	0	0	0	0	125
15	A	21.4	Very low	24.5	Very low	89 Å²	89	172.1 Å²	172.1	74%	0.736	80%	0.802	S	S	*	*			trans	72.5	145.9	148.7	0	0	0	0	0	117.6
16	W	22.1	Very low	24.3	Very low	203 Å²	203	170.5 Å²	170.5	77%	0.769	80%	0.801	S	S	*	*			cis	-151.5	147.1	47.8	-98.2	61.1	0	0	0	115.4
17	R	22	Very low	24.5	Very low	209 Å²	209	168.9 Å²	168.9	79%	0.789	80%	0.799	S	S	*	*			trans	40.2	144.6	146	-63.1	-169.4	177.7	170	-1.9	123.3
18	W	26.1	Very low	24.6	Very low	254 Å²	254	168.6 Å²	168.6	96%	0.962	81%	0.806	S	S	*	*			trans	-62.6	146.4	172.6	-68.8	9.5	0	0	0	115.6
19	K	22.3	Very low	24.6	Very low	212 Å²	212	167.2 Å²	167.2	92%	0.922	81%	0.81	S	S	*	*			trans	-158.4	138.7	134.3	-120.6	172.5	-176.9	176.9	0	112.4
20	K	28.8	Very low	24.8	Very low	205 Å²	205	166.3 Å²	166.3	89%	0.891	82%	0.816	S	S	*	*			trans	-71.4	132.4	171.7	-83.3	178.9	170.9	176.5	0	110.9
21	R	21.7	Very low	24.7	Very low	240 Å²	240	165.5 Å²	165.5	91%	0.906	82%	0.818	S	S	*	*				-176.1	135.9	123.6	-105.6	174.4	-176.6	-170.3	1.1	113.4
22	R	23.4	Very low	25.2	Very low	217 Å²	217	165.5 Å²	165.5	82%	0.819	82%	0.816	S	S	*	*			trans	41.4	131	140.3	-92.4	-165.8	-176.4	165.2	0.7	122.7
23	D	25.5	Very low	25.1	Very low	140 Å²	140	162.2 Å²	162.2	75%	0.749	81%	0.806	S	S	*	*			trans	92	155.2	139.8	-52.9	-18.1	0	0	0	119.7
24	S	24.7	Very low	25.5	Very low	98 Å²	98	163 Å²	163	69%	0.685	81%	0.809	S	S	*	*			trans	67	103.6	178.6	174.9	0	0	0	0	118.2
25	F	25.3	Very low	26.1	Very low	224 Å²	224	164.2 Å²	164.2	98%	0.982	80%	0.802	S	S	*	*			trans	-101.7	123.6	133	-103.1	-87.1	0	0	0	108
26	C	23.3	Very low	26.7	Very low	108 Å²	108	163.7 Å²	163.7	73%	0.73	79%	0.793	S	S	*	*			trans	-110.6	160.2	-173.1	-165	0	0	0	0	111.3
27	C	29.2	Very low	27.6	Very low	95 Å²	95	160.1 Å²	160.1	64%	0.642	80%	0.799	S	S	*	*			trans	-66.3	146.8	-175.6	-60.8	0	0	0	0	113.9
28	H	25.1	Very low	28.9	Very low	192 Å²	192	157.5 Å²	157.5	89%	0.889	80%	0.801	S	S	*	*			trans	-118.9	101.3	134.6	-77.6	8.9	0	0	0	106
29	C	24.8	Very low	30.4	Very low	100 Å²	100	149.5 Å²	149.5	68%	0.676	77%	0.774	S	S	*	*				58.3	73.2	76.5	-63.6	0	0	0	0	113.3
30	M	27.1	Very low	33.3	Very low	183 Å²	183	143.1 Å²	143.1	90%	0.901	75%	0.75	S	S	*	*	S	Bend		-69.8	146.3	126	-73.2	-159.4	-176.3	0	0	108.2	F32	M30-F32 PolarHBondContact O-N 2.78Å
31	T	24.6	Very low	36	Very low	136 Å²	136	135.8 Å²	135.8	83%	0.834	72%	0.723	S	S	*	*			trans	-65.5	122.4	-169.4	38.8	0	0	0	0	112.6	S33	T31-S33 PolarHBondContact O-N 3.45Å
32	F	32	Very low	39	Very low	192 Å²	192	125 Å²	125	84%	0.842	68%	0.684	S	S	*	*			trans	-61.5	104.1	156.3	-84	-99.8	0	0	0	108.5	M30	M30-F32 PolarHBondContact O-N 2.78Å
33	S	26.7	Very low	42.1	Very low	94 Å²	94	118 Å²	118	66%	0.657	66%	0.661	S	S	*	*			trans	-64.5	143.6	140	52.9	0	0	0	0	107.3	T31 I35	T31-S33 PolarHBondContact O-N 3.45Å; S33-I35 VanDerWaalsContact C-N 3.33Å; S33-I35 PolarHBondContact O-N 3.3Å
34	T	37.6	Very low	45	Very low	142 Å²	142	113.8 Å²	113.8	87%	0.871	64%	0.638	S	S	*	*			trans	-72.1	87.8	-176.2	47.3	0	0	0	0	110.5	S36	T34-S36 PolarHBondContact O-N 2.97Å
35	I	34.8	Very low	48.2	Very low	115 Å²	115	109.1 Å²	109.1	59%	0.59	61%	0.605	S	S	*	*			trans	-59.3	118.9	162.8	-61.7	-179.9	0	0	0	106.7	S33 Q39	S33-I35 VanDerWaalsContact C-N 3.33Å; S33-I35 PolarHBondContact O-N 3.3Å; I35-Q39 HydrophobicContact CG2-CG 4.19Å
36	S	34.6	Very low	51.2	Low	79 Å²	79	100.9 Å²	100.9	55%	0.552	57%	0.569	S	S	*	*			trans	-62.7	149.9	-174.5	49.6	0	0	0	0	111.6	T34 N38	T34-S36 PolarHBondContact O-N 2.97Å; S36-N38 PolarHBondContact O-N 2.98Å
37	S	41.1	Very low	54.1	Low	128 Å²	128	102.7 Å²	102.7	90%	0.895	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	42.5	178.8	59.6	0	0	0	0	113.2
38	N	47.4	Very low	56.8	Low	153 Å²	153	103 Å²	103	82%	0.818	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.7	13.8	-171.3	-111.7	16.6	0	0	0	113	S36	S36-N38 PolarHBondContact O-N 2.98Å
39	Q	58.3	Low	59.6	Low	86 Å²	86	94 Å²	94	40%	0.402	51%	0.509	S	S	.	.			trans	-85.5	130.4	168.9	-71.7	-169.4	-1	0	0	110.5	I35 I44	I35-Q39 HydrophobicContact CG2-CG 4.19Å; Q39-I44 HydrophobicContact CB-CD1 4.1Å; Q39-I44 HydrophobicContact CB-CG1 4.35Å
40	D	83.1	Confident	62.4	Low	79 Å²	79	92.7 Å²	92.7	42%	0.422	49%	0.492	S	S	.	.			trans	-59.6	126.7	178.4	-176.1	-12.1	0	0	0	111.2	V42 E43 I44	D40-V42 PolarHBondContact O-N 3.24Å; D40-V42 VanDerWaalsContact O-N 3.15Å; D40-V42 WeakPolarHBondContact OD1-CB 3.36Å; D40-V42 PolarHBondContact OD1-N 3.03Å; D40-E43 HydrophobicContact CB-CB 4.23Å; D40-E43 HydrophobicContact CB-CG 4.22Å; D40-E43 PolarHBondContact O-N 3.21Å; D40-I44 PolarHBondContact O-N 3.38Å
41	P	85.6	Confident	64.9	Low	50 Å²	50	88.8 Å²	88.8	33%	0.325	47%	0.474	S	S	.	.	H	α-helix	trans	-49.6	-31.6	170.3	-29.6	37	0	0	0	114.9	H45 H184 L185	P41-H45 WeakPolarHBondContact O-CB 3.23Å; P41-H45 PolarHBondContact O-N 3.23Å; P41-H184 PolarHBondContact O-CD2 3Å; P41-L185 HydrophobicContact CB-CD2 4.24Å
42	V	86	Confident	67.4	Low	14 Å²	14	90.8 Å²	90.8	9%	0.085	47%	0.467	C	S	.	.	H	α-helix	trans	-70.7	-40.7	177.1	179.8	0	0	0	0	111.5	D40 H45 K46 W145 K155	D40-V42 PolarHBondContact O-N 3.24Å; D40-V42 VanDerWaalsContact O-N 3.15Å; D40-V42 WeakPolarHBondContact OD1-CB 3.36Å; D40-V42 PolarHBondContact OD1-N 3.03Å; V42-H45 WeakPolarHBondContact O-CA 3.2Å; V42-H45 VanDerWaalsContact O-CB 3.29Å; V42-H45 WeakPolarHBondContact O-CB 3.38Å; V42-H45 PolarHBondContact O-N 3.02Å; V42-H45 VanDerWaalsContact O-N 3.11Å; V42-K46 PolarHBondContact O-N 3.44Å; V42-W145 HydrophobicContact CG1-CH2 4.49Å; V42-K155 VanDerWaalsContact CG1-O 3.22Å; V42-K155 WeakPolarHBondContact CG1-O 3.42Å
43	E	86.5	Confident	69.5	Low	71 Å²	71	83.6 Å²	83.6	33%	0.332	44%	0.435	S	S	.	.	H	α-helix	trans	-70	-36	175.6	-74.7	-60.8	127.7	0	0	112	D40 H45 K46 R47	D40-E43 HydrophobicContact CB-CB 4.23Å; D40-E43 HydrophobicContact CB-CG 4.22Å; D40-E43 PolarHBondContact O-N 3.21Å; E43-H45 PolarHBondContact O-N 3.24Å; E43-K46 WeakPolarHBondContact OE1-CD 3.46Å; E43-K46 WeakPolarHBondContact OE1-CE 3.18Å; E43-K46 IonicContact OE1-NZ 3.79Å; E43-K46 PolarHBondContact OE1-NZ 3.33Å; E43-R47 VanDerWaalsContact O-CG 3.31Å; E43-R47 WeakPolarHBondContact O-CG 3.23Å; E43-R47 PolarHBondContact O-N 2.72Å; E43-R47 VanDerWaalsContact O-N 3.12Å
44	I	87.7	Confident	71.5	Confident	51 Å²	51	80.8 Å²	80.8	26%	0.262	42%	0.416	S	S	.	.	H	α-helix	trans	-61.9	-35.5	169.1	-65.2	169.3	0	0	0	110.5	Q39 D40 K48 H184	Q39-I44 HydrophobicContact CB-CD1 4.1Å; Q39-I44 HydrophobicContact CB-CG1 4.35Å; D40-I44 PolarHBondContact O-N 3.38Å; I44-K48 HydrophobicContact CG2-CD 4.29Å; I44-K48 VanDerWaalsContact O-CG 3.31Å; I44-K48 WeakPolarHBondContact O-CG 3.41Å; I44-K48 PolarHBondContact O-N 3.12Å; I44-H184 HydrophobicContact CG2-CB 4.25Å
45	H	90.8	Very high	72.7	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-69.9	-50.9	177.4	-170.8	45.6	0	0	0	112.5	P41 V42 E43 R47 K48 L49 Y182 H184 L185	P41-H45 WeakPolarHBondContact O-CB 3.23Å; P41-H45 PolarHBondContact O-N 3.23Å; V42-H45 WeakPolarHBondContact O-CA 3.2Å; V42-H45 VanDerWaalsContact O-CB 3.29Å; V42-H45 WeakPolarHBondContact O-CB 3.38Å; V42-H45 PolarHBondContact O-N 3.02Å; V42-H45 VanDerWaalsContact O-N 3.11Å; E43-H45 PolarHBondContact O-N 3.24Å; H45-R47 VanDerWaalsContact C-N 3.35Å; H45-R47 PolarHBondContact O-N 3.1Å; H45-K48 PolarHBondContact O-N 3.39Å; H45-K48 VanDerWaalsContact O-N 3.17Å; H45-L49 PolarHBondContact O-N 2.9Å; H45-Y182 AromaticContact CE1-CD1 3.44Å; H45-Y182 VanDerWaalsContact CE1-CD1 3.44Å; H45-Y182 WeakPolarHBondContact CE1-CD1 3.4Å; H45-Y182 AromaticContact CE1-CE1 3.91Å; H45-Y182 AromaticContact ND1-CD1 3.74Å; H45-Y182 AromaticContact NE2-CD1 2.73Å; H45-Y182 WeakPolarHBondContact NE2-CD1 3.49Å; H45-Y182 AromaticContact NE2-CD2 3.26Å; H45-Y182 VanDerWaalsContact NE2-CD2 3.26Å; H45-Y182 WeakPolarHBondContact NE2-CD2 3.45Å; H45-Y182 AromaticContact NE2-CE1 2.62Å; H45-Y182 WeakPolarHBondContact NE2-CE1 3.34Å; H45-Y182 AromaticContact NE2-CE2 3.18Å; H45-Y182 WeakPolarHBondContact NE2-CE2 3.22Å; H45-Y182 AromaticContact NE2-CG 3.06Å; H45-Y182 AromaticContact NE2-CZ 2.87Å; H45-H184 WeakPolarHBondContact CA-NE2 3.33Å; H45-H184 VanDerWaalsContact CB-NE2 3.32Å; H45-H184 WeakPolarHBondContact CB-NE2 3.35Å; H45-H184 AromaticContact CE1-CE1 3.26Å; H45-H184 PolarHBondContact CE1-CE1 3.49Å; H45-H184 AromaticContact CE1-NE2 2.91Å; H45-H184 PolarHBondContact CE1-NE2 3.1Å; H45-H184 AromaticContact CG-NE2 3.53Å; H45-H184 AromaticContact ND1-CE1 3.86Å; H45-H184 AromaticContact ND1-NE2 3.21Å; H45-H184 PolarHBondContact ND1-NE2 3.07Å; H45-L185 HydrophobicContact CB-CD2 4.47Å
46	K	88.2	Confident	73.5	Confident	51 Å²	51	76 Å²	76	22%	0.222	38%	0.381	C	S	.	.	H	α-helix	trans	-53.1	-49.6	175.7	-74.4	179.5	-170.4	165.8	0	111.8	V42 E43 K48 L49 F50 W145 C146	V42-K46 PolarHBondContact O-N 3.44Å; E43-K46 WeakPolarHBondContact OE1-CD 3.46Å; E43-K46 WeakPolarHBondContact OE1-CE 3.18Å; E43-K46 IonicContact OE1-NZ 3.79Å; E43-K46 PolarHBondContact OE1-NZ 3.33Å; K46-K48 VanDerWaalsContact C-N 3.31Å; K46-K48 PolarHBondContact O-N 3.42Å; K46-L49 PolarHBondContact O-N 3.42Å; K46-F50 WeakPolarHBondContact O-CB 3.5Å; K46-F50 PolarHBondContact O-N 2.89Å; K46-W145 HydrophobicContact CB-CZ3 4.49Å; K46-W145 HydrophobicContact CG-CE3 4.17Å; K46-W145 HydrophobicContact CG-CH2 3.67Å; K46-W145 HydrophobicContact CG-CZ2 4.45Å; K46-W145 HydrophobicContact CG-CZ3 3.51Å; K46-C146 HydrophobicContact CB-CB 4.45Å; K46-C146 PolarHBondContact O-SG 2.94Å; K46-C146 VanDerWaalsContact O-SG 3.41Å
47	R	85.6	Confident	74.1	Confident	146 Å²	146	74.9 Å²	74.9	55%	0.551	37%	0.372	S	S	*	.	H	α-helix	trans	-60.4	-39.2	-180	-69.3	172.6	-173.4	-166	-0.6	112.6	E43 H45 L51	E43-R47 VanDerWaalsContact O-CG 3.31Å; E43-R47 WeakPolarHBondContact O-CG 3.23Å; E43-R47 PolarHBondContact O-N 2.72Å; E43-R47 VanDerWaalsContact O-N 3.12Å; H45-R47 VanDerWaalsContact C-N 3.35Å; H45-R47 PolarHBondContact O-N 3.1Å; R47-L51 WeakPolarHBondContact O-CG 3.42Å; R47-L51 PolarHBondContact O-N 3.1Å; R47-L51 VanDerWaalsContact O-N 3.15Å
48	K	85.1	Confident	74	Confident	102 Å²	102	76.7 Å²	76.7	44%	0.443	36%	0.364	S	S	.	.	H	α-helix	trans	-69.8	-41.4	175.6	-73.2	174.4	-176.4	179.6	0	112.5	I44 H45 K46 W52 H184	I44-K48 HydrophobicContact CG2-CD 4.29Å; I44-K48 VanDerWaalsContact O-CG 3.31Å; I44-K48 WeakPolarHBondContact O-CG 3.41Å; I44-K48 PolarHBondContact O-N 3.12Å; H45-K48 PolarHBondContact O-N 3.39Å; H45-K48 VanDerWaalsContact O-N 3.17Å; K46-K48 VanDerWaalsContact C-N 3.31Å; K46-K48 PolarHBondContact O-N 3.42Å; K48-W52 WeakPolarHBondContact O-CB 3.24Å; K48-W52 PolarHBondContact O-N 3.04Å; K48-H184 PolarHBondContact NZ-ND1 3.34Å
49	L	84.8	Confident	73.7	Confident	2 Å²	2	73.3 Å²	73.3	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-66.3	-43.2	176.2	-73.4	-177.3	0	0	0	111.4	H45 K46 L51 W52 F53 V142 W145 C146 P159 Y182	H45-L49 PolarHBondContact O-N 2.9Å; K46-L49 PolarHBondContact O-N 3.42Å; L49-L51 PolarHBondContact O-N 3.33Å; L49-W52 PolarHBondContact O-N 2.92Å; L49-F53 HydrophobicContact CD2-CD2 4.3Å; L49-F53 HydrophobicContact CD2-CE2 3.88Å; L49-F53 WeakPolarHBondContact O-CB 3.44Å; L49-F53 WeakPolarHBondContact O-CD2 3.47Å; L49-F53 PolarHBondContact O-N 3.31Å; L49-V142 HydrophobicContact CB-CG1 4.08Å; L49-V142 HydrophobicContact CD1-CG1 4.35Å; L49-W145 HydrophobicContact CD1-CZ3 4.08Å; L49-C146 VanDerWaalsContact CB-SG 3.56Å; L49-P159 HydrophobicContact CD1-CG 4.12Å; L49-P159 HydrophobicContact CD2-CG 3.64Å; L49-Y182 HydrophobicContact CD2-CE1 4.1Å
50	F	83.8	Confident	72.9	Confident	73 Å²	73	71.2 Å²	71.2	32%	0.32	33%	0.333	S	S	.	.	H	α-helix	trans	-56	-50.9	174.5	-174.3	-96.8	0	0	0	111.6	K46 W52 F53 S54 L143 C146	K46-F50 WeakPolarHBondContact O-CB 3.5Å; K46-F50 PolarHBondContact O-N 2.89Å; F50-W52 PolarHBondContact O-N 3Å; F50-F53 PolarHBondContact O-N 3.31Å; F50-S54 WeakPolarHBondContact O-CB 3.39Å; F50-S54 PolarHBondContact O-N 3.32Å; F50-S54 PolarHBondContact O-OG 3.34Å; F50-L143 HydrophobicContact CD2-CD2 3.85Å; F50-L143 HydrophobicContact CE2-CD2 4.15Å; F50-C146 HydrophobicContact CB-CB 3.96Å; F50-C146 HydrophobicContact CD2-CB 4.23Å
51	L	78.8	Confident	71	Confident	101 Å²	101	73 Å²	73	53%	0.529	34%	0.337	S	S	.	.	H	α-helix	trans	-60.5	-45.7	176.8	-71.7	169.4	0	0	0	112.2	R47 L49 S54 H55	R47-L51 WeakPolarHBondContact O-CG 3.42Å; R47-L51 PolarHBondContact O-N 3.1Å; R47-L51 VanDerWaalsContact O-N 3.15Å; L49-L51 PolarHBondContact O-N 3.33Å; L51-S54 PolarHBondContact O-OG 3.32Å; L51-H55 PolarHBondContact O-CD2 2.82Å; L51-H55 PolarHBondContact O-N 3.21Å
52	W	77.8	Confident	68.8	Low	178 Å²	178	76.4 Å²	76.4	67%	0.674	35%	0.349	S	S	*	.	H	α-helix	trans	-62	-45.9	179.8	-169.3	-52.3	0	0	0	112.2	K48 L49 F50	K48-W52 WeakPolarHBondContact O-CB 3.24Å; K48-W52 PolarHBondContact O-N 3.04Å; L49-W52 PolarHBondContact O-N 2.92Å; F50-W52 PolarHBondContact O-N 3Å
53	F	74.7	Confident	66.6	Low	40 Å²	40	79.7 Å²	79.7	18%	0.175	36%	0.362	C	S	.	.	H	α-helix	trans	-87.3	-15.7	-172.8	-76.1	-106.2	0	0	0	113.8	L49 F50 R139 V142 L143 P159	L49-F53 HydrophobicContact CD2-CD2 4.3Å; L49-F53 HydrophobicContact CD2-CE2 3.88Å; L49-F53 WeakPolarHBondContact O-CB 3.44Å; L49-F53 WeakPolarHBondContact O-CD2 3.47Å; L49-F53 PolarHBondContact O-N 3.31Å; F50-F53 PolarHBondContact O-N 3.31Å; F53-R139 HydrophobicContact CB-CG 4.47Å; F53-R139 HydrophobicContact CD1-CB 4.17Å; F53-R139 HydrophobicContact CD1-CG 4.06Å; F53-V142 HydrophobicContact CB-CG1 4.25Å; F53-V142 HydrophobicContact CD1-CB 4.05Å; F53-V142 HydrophobicContact CD1-CG1 3.97Å; F53-V142 HydrophobicContact CD1-CG2 4.42Å; F53-V142 HydrophobicContact CD2-CG1 3.7Å; F53-V142 HydrophobicContact CE1-CB 4.22Å; F53-V142 HydrophobicContact CE1-CG1 4.23Å; F53-V142 HydrophobicContact CE1-CG2 4.09Å; F53-V142 HydrophobicContact CE2-CG1 3.99Å; F53-V142 HydrophobicContact CG-CB 4.26Å; F53-V142 HydrophobicContact CG-CG1 3.7Å; F53-V142 HydrophobicContact CZ-CG1 4.24Å; F53-V142 HydrophobicContact CZ-CG2 4.3Å; F53-L143 HydrophobicContact CB-CD2 3.85Å; F53-L143 HydrophobicContact CB-CG 3.96Å; F53-P159 HydrophobicContact CE2-CG 4.25Å; F53-P159 HydrophobicContact CZ-CB 4.13Å; F53-P159 HydrophobicContact CZ-CG 4.14Å
54	S	70.1	Confident	64.4	Low	36 Å²	36	77.8 Å²	77.8	25%	0.252	36%	0.362	S	S	.	.	H	α-helix	trans	-86.9	-15.3	172.6	61.1	0	0	0	0	113.5	F50 L51 L56	F50-S54 WeakPolarHBondContact O-CB 3.39Å; F50-S54 PolarHBondContact O-N 3.32Å; F50-S54 PolarHBondContact O-OG 3.34Å; L51-S54 PolarHBondContact O-OG 3.32Å; S54-L56 PolarHBondContact O-N 2.93Å
55	H	62	Low	61.9	Low	133 Å²	133	79.6 Å²	79.6	62%	0.616	39%	0.393	S	S	*	.			trans	-68.2	93.3	172.1	-79.4	-38.3	0	0	0	111.6	L51	L51-H55 PolarHBondContact O-CD2 2.82Å; L51-H55 PolarHBondContact O-N 3.21Å
56	L	51.1	Low	59.7	Low	22 Å²	22	85.7 Å²	85.7	12%	0.115	43%	0.425	C	S	.	.			trans	-64.7	145.3	164.8	-68.8	172.9	0	0	0	111.5	S54 F67 P69	S54-L56 PolarHBondContact O-N 2.93Å; L56-F67 HydrophobicContact CD1-CB 3.78Å; L56-F67 WeakPolarHBondContact CD1-O 3.3Å; L56-P69 HydrophobicContact CD2-CG 4.03Å; L56-P69 HydrophobicContact CG-CG 4.46Å
57	P	47.3	Very low	58	Low	57 Å²	57	85.2 Å²	85.2	37%	0.37	42%	0.423	S	S	.	.			trans	-53.1	156.6	167.3	-21.5	32.8	0	0	0	112.1	E59	P57-E59 WeakPolarHBondContact CB-OE2 3.21Å; P57-E59 PolarHBondContact O-N 3.49Å
58	K	39.1	Very low	56.6	Low	165 Å²	165	79.7 Å²	79.7	72%	0.717	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-23	-177.9	-61.7	171	-177.3	165.2	0	111.7	K61	K58-K61 WeakPolarHBondContact O-CB 3.41Å; K58-K61 PolarHBondContact O-N 3.44Å
59	E	41.2	Very low	55.1	Low	82 Å²	82	76 Å²	76	38%	0.383	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-43.1	-173.8	-58.7	62	-127.6	0	0	109.6	P57 K61 Q62 F63	P57-E59 WeakPolarHBondContact CB-OE2 3.21Å; P57-E59 PolarHBondContact O-N 3.49Å; E59-K61 PolarHBondContact O-N 3.2Å; E59-Q62 PolarHBondContact O-N 3.35Å; E59-F63 WeakPolarHBondContact O-CD2 3.41Å; E59-F63 WeakPolarHBondContact O-CE2 3.17Å
60	E	41.8	Very low	53.8	Low	42 Å²	42	80.8 Å²	80.8	20%	0.196	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-65.8	-24.8	173.5	-67.7	-162.3	94	0	0	112.6	Q62 F67 R289	E60-Q62 VanDerWaalsContact C-N 3.31Å; E60-Q62 PolarHBondContact O-N 2.88Å; E60-F67 HydrophobicContact CB-CD1 4.49Å; E60-F67 VanDerWaalsContact O-CD1 3.28Å; E60-F67 WeakPolarHBondContact O-CD1 3.06Å; E60-R289 IonicContact OE1-NH2 2.79Å
61	K	43.3	Very low	52.3	Low	116 Å²	116	81.3 Å²	81.3	50%	0.504	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-77.1	-12.9	177.2	-59.9	-178.2	-176.6	-176.6	0	114	K58 E59 F63	K58-K61 WeakPolarHBondContact O-CB 3.41Å; K58-K61 PolarHBondContact O-N 3.44Å; E59-K61 PolarHBondContact O-N 3.2Å; K61-F63 PolarHBondContact O-N 3.43Å
62	Q	38.5	Very low	51.3	Low	122 Å²	122	77.1 Å²	77.1	57%	0.57	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-72.6	-17.6	178	-59.9	-171.6	22.6	0	0	112.8	E59 E60	E59-Q62 PolarHBondContact O-N 3.35Å; E60-Q62 VanDerWaalsContact C-N 3.31Å; E60-Q62 PolarHBondContact O-N 2.88Å
63	F	41.4	Very low	50.9	Low	84 Å²	84	70.6 Å²	70.6	37%	0.368	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-88.2	-3.1	-179.3	-61.5	-87.1	0	0	0	113.5	E59 K61 F67 F338	E59-F63 WeakPolarHBondContact O-CD2 3.41Å; E59-F63 WeakPolarHBondContact O-CE2 3.17Å; K61-F63 PolarHBondContact O-N 3.43Å; F63-F67 VanDerWaalsContact C-CE2 3.42Å; F63-F67 HydrophobicContact CB-CE1 3.82Å; F63-F67 HydrophobicContact CB-CE2 3.86Å; F63-F67 HydrophobicContact CB-CZ 3.29Å; F63-F67 HydrophobicContact CG-CZ 4.45Å; F63-F67 WeakPolarHBondContact O-CE2 3.27Å; F63-F338 HydrophobicContact CE1-CZ 4.42Å
64	G	39.4	Very low	51	Low	31 Å²	31	69.7 Å²	69.7	32%	0.32	38%	0.377	S	S	.	.			trans	152.9	161.3	174.8	0	0	0	0	0	113.7	L66 F67	G64-L66 VanDerWaalsContact C-N 3.3Å; G64-L66 PolarHBondContact O-N 2.85Å; G64-F67 VanDerWaalsContact O-CD2 3.29Å; G64-F67 WeakPolarHBondContact O-CD2 3.19Å
65	G	34.8	Very low	51.3	Low	89 Å²	89	72.1 Å²	72.1	92%	0.918	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-5.8	-176.1	0	0	0	0	0	116.3
66	L	45.4	Very low	52.1	Low	127 Å²	127	66.3 Å²	66.3	67%	0.665	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	10.4	-166.5	-78.5	154.2	0	0	0	114.6	G64 S68	G64-L66 VanDerWaalsContact C-N 3.3Å; G64-L66 PolarHBondContact O-N 2.85Å; L66-S68 PolarHBondContact O-N 2.85Å
67	F	52.3	Low	53.5	Low	42 Å²	42	66.3 Å²	66.3	18%	0.184	36%	0.361	C	S	.	.			trans	-70.2	120.1	-176.8	-77	-121.2	0	0	0	110.4	L56 E60 F63 G64 M72	L56-F67 HydrophobicContact CD1-CB 3.78Å; L56-F67 WeakPolarHBondContact CD1-O 3.3Å; E60-F67 HydrophobicContact CB-CD1 4.49Å; E60-F67 VanDerWaalsContact O-CD1 3.28Å; E60-F67 WeakPolarHBondContact O-CD1 3.06Å; F63-F67 VanDerWaalsContact C-CE2 3.42Å; F63-F67 HydrophobicContact CB-CE1 3.82Å; F63-F67 HydrophobicContact CB-CE2 3.86Å; F63-F67 HydrophobicContact CB-CZ 3.29Å; F63-F67 HydrophobicContact CG-CZ 4.45Å; F63-F67 WeakPolarHBondContact O-CE2 3.27Å; G64-F67 VanDerWaalsContact O-CD2 3.29Å; G64-F67 WeakPolarHBondContact O-CD2 3.19Å; F67-M72 HydrophobicContact CB-CE 4.23Å; F67-M72 HydrophobicContact CB-SD 4.46Å; F67-M72 HydrophobicContact CD1-CE 3.58Å; F67-M72 HydrophobicContact CD1-SD 3.69Å; F67-M72 HydrophobicContact CD2-CE 3.78Å; F67-M72 HydrophobicContact CE1-CE 3.7Å; F67-M72 HydrophobicContact CE1-SD 4.04Å; F67-M72 HydrophobicContact CE2-CE 3.86Å; F67-M72 HydrophobicContact CG-CE 3.6Å; F67-M72 HydrophobicContact CG-SD 4.12Å; F67-M72 HydrophobicContact CZ-CE 3.8Å
68	S	55.8	Low	55.2	Low	29 Å²	29	63.8 Å²	63.8	20%	0.203	35%	0.345	C	S	.	.			trans	-140.2	152.9	167.3	92.1	0	0	0	0	111.2	L66 E70 T71 M72	L66-S68 PolarHBondContact O-N 2.85Å; S68-E70 PolarHBondContact O-N 2.7Å; S68-E70 PolarHBondContact OG-N 2.98Å; S68-T71 PolarHBondContact OG-N 3.11Å; S68-T71 PolarHBondContact OG-OG1 3.41Å; S68-M72 PolarHBondContact O-N 3.37Å
69	P	54.8	Low	57.2	Low	24 Å²	24	57.1 Å²	57.1	16%	0.156	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.2	172	-21.3	33.6	0	0	0	114.1	L56 L143	L56-P69 HydrophobicContact CD2-CG 4.03Å; L56-P69 HydrophobicContact CG-CG 4.46Å; P69-L143 HydrophobicContact CB-CD1 3.74Å; P69-L143 HydrophobicContact CG-CD1 3.98Å
70	E	55.7	Low	59.2	Low	103 Å²	103	55.7 Å²	55.7	48%	0.481	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-37.9	-175.3	-61.9	165.4	176.8	0	0	111.4	S68	S68-E70 PolarHBondContact O-N 2.7Å; S68-E70 PolarHBondContact OG-N 2.98Å
71	T	53.8	Low	61	Low	84 Å²	84	56.6 Å²	56.6	52%	0.515	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-14	-179.9	59.1	0	0	0	0	114.1	S68	S68-T71 PolarHBondContact OG-N 3.11Å; S68-T71 PolarHBondContact OG-OG1 3.41Å
72	M	57.8	Low	62	Low	14 Å²	14	58.5 Å²	58.5	7%	0.069	32%	0.32	C	S	.	.	S	Bend	trans	-115.8	7.1	-173.5	-66.1	-175.3	171.5	0	0	114.7	F67 S68 R289 Q292	F67-M72 HydrophobicContact CB-CE 4.23Å; F67-M72 HydrophobicContact CB-SD 4.46Å; F67-M72 HydrophobicContact CD1-CE 3.58Å; F67-M72 HydrophobicContact CD1-SD 3.69Å; F67-M72 HydrophobicContact CD2-CE 3.78Å; F67-M72 HydrophobicContact CE1-CE 3.7Å; F67-M72 HydrophobicContact CE1-SD 4.04Å; F67-M72 HydrophobicContact CE2-CE 3.86Å; F67-M72 HydrophobicContact CG-CE 3.6Å; F67-M72 HydrophobicContact CG-SD 4.12Å; F67-M72 HydrophobicContact CZ-CE 3.8Å; S68-M72 PolarHBondContact O-N 3.37Å; M72-R289 PolarHBondContact SD-NH1 2.94Å; M72-R289 VanDerWaalsContact SD-NH1 3.35Å; M72-Q292 HydrophobicContact CE-CG 4.31Å
73	H	68.9	Low	62.7	Low	40 Å²	40	56.5 Å²	56.5	19%	0.185	31%	0.313	C	S	.	.			trans	-76.5	138.2	175.9	-155	75.5	0	0	0	111.2	D75 K140	H73-D75 IonicContact CD2-OD1 3.53Å; H73-D75 PolarHBondContact CD2-OD1 2.81Å; H73-D75 IonicContact NE2-OD1 2.99Å; H73-K140 HydrophobicContact CB-CD 4.21Å
74	V	76.8	Confident	63.1	Low	22 Å²	22	61.2 Å²	61.2	13%	0.133	34%	0.336	C	S	.	.			trans	-127.4	122.1	163.1	176.3	0	0	0	0	105.4	P76 F276 R281 A284 Y285	V74-P76 WeakPolarHBondContact O-CD 3.44Å; V74-F276 HydrophobicContact CB-CE1 3.95Å; V74-F276 HydrophobicContact CB-CZ 4.07Å; V74-F276 HydrophobicContact CG1-CD1 4.35Å; V74-F276 HydrophobicContact CG1-CE1 3.84Å; V74-F276 HydrophobicContact CG1-CZ 4.34Å; V74-F276 WeakPolarHBondContact O-CE1 3.27Å; V74-R281 HydrophobicContact CG1-CB 4.16Å; V74-R281 HydrophobicContact CG1-CG 4.35Å; V74-A284 HydrophobicContact CG1-CB 4.31Å; V74-A284 HydrophobicContact CG2-CB 4.32Å; V74-Y285 HydrophobicContact CG2-CD2 4.35Å
75	D	77.3	Confident	63.6	Low	87 Å²	87	62.8 Å²	62.8	47%	0.465	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-64.5	121.2	-178.6	-62.3	-65.6	0	0	0	109.8	H73 R281	H73-D75 IonicContact CD2-OD1 3.53Å; H73-D75 PolarHBondContact CD2-OD1 2.81Å; H73-D75 IonicContact NE2-OD1 2.99Å; D75-R281 WeakPolarHBondContact O-CD 3.39Å; D75-R281 PolarHBondContact O-NH1 2.98Å
76	P	78.3	Confident	64.1	Low	11 Å²	11	62 Å²	62	7%	0.071	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-70.7	157.5	172.3	32.3	-35.6	0	0	0	110.2	V74 I78 I137 I273 G275 F276	V74-P76 WeakPolarHBondContact O-CD 3.44Å; P76-I78 PolarHBondContact O-N 2.77Å; P76-I137 HydrophobicContact CG-CD1 3.62Å; P76-I137 HydrophobicContact CG-CG1 3.99Å; P76-I273 HydrophobicContact CB-CD1 4.47Å; P76-I273 HydrophobicContact CB-CG1 4.22Å; P76-I273 HydrophobicContact CG-CD1 3.97Å; P76-I273 HydrophobicContact CG-CG1 4.08Å; P76-G275 CarbonylContact C-O 3.51Å; P76-G275 WeakPolarHBondContact CA-O 3.31Å; P76-G275 VanDerWaalsContact CB-O 3.23Å; P76-G275 WeakPolarHBondContact CB-O 3.19Å; P76-F276 HydrophobicContact CB-CD1 4.42Å; P76-F276 HydrophobicContact CB-CE1 4.4Å
77	L	79.6	Confident	64	Low	22 Å²	22	59.7 Å²	59.7	12%	0.115	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-65.3	125.4	173.8	-178.5	65.2	0	0	0	110	L79 S103 C274 G275 N277	L77-L79 HydrophobicContact CD1-CD2 3.97Å; L77-L79 HydrophobicContact CD2-CD1 4.35Å; L77-L79 HydrophobicContact CD2-CD2 4.11Å; L77-L79 HydrophobicContact CD2-CG 4.2Å; L77-L79 HydrophobicContact CG-CD2 4.02Å; L77-L79 HydrophobicContact CG-CG 4.13Å; L77-S103 WeakPolarHBondContact CD1-OG 3.26Å; L77-C274 HydrophobicContact CB-CB 4.26Å; L77-C274 HydrophobicContact CD2-CB 4.3Å; L77-C274 HydrophobicContact CG-CB 4.39Å; L77-C274 PolarHBondContact O-N 3.36Å; L77-G275 PolarHBondContact N-O 2.89Å; L77-N277 HydrophobicContact CB-CB 4.33Å; L77-N277 HydrophobicContact CD2-CB 3.7Å
78	I	83.6	Confident	63.3	Low	4 Å²	4	61.2 Å²	61.2	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.6	171.4	-51.6	173.9	0	0	0	107.6	P76 S103 L104 V106 L109 L126 I137 A271 Q272	P76-I78 PolarHBondContact O-N 2.77Å; I78-S103 WeakPolarHBondContact O-CA 3.04Å; I78-L104 PolarHBondContact O-N 2.96Å; I78-V106 HydrophobicContact CD1-CG2 3.95Å; I78-L109 HydrophobicContact CG2-CD2 4.32Å; I78-L126 HydrophobicContact CG2-CD1 4.26Å; I78-I137 HydrophobicContact CD1-CD1 4Å; I78-I137 HydrophobicContact CG1-CD1 4.4Å; I78-A271 HydrophobicContact CG2-CB 3.85Å; I78-Q272 WeakPolarHBondContact CA-O 3.34Å
79	L	81.6	Confident	62.5	Low	24 Å²	24	66.6 Å²	66.6	13%	0.126	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.8	177.2	-61.9	179.2	0	0	0	110.5	L77 Q272	L77-L79 HydrophobicContact CD1-CD2 3.97Å; L77-L79 HydrophobicContact CD2-CD1 4.35Å; L77-L79 HydrophobicContact CD2-CD2 4.11Å; L77-L79 HydrophobicContact CD2-CG 4.2Å; L77-L79 HydrophobicContact CG-CD2 4.02Å; L77-L79 HydrophobicContact CG-CG 4.13Å; L79-Q272 PolarHBondContact N-O 3.12Å; L79-Q272 PolarHBondContact O-N 2.71Å
80	E	83.2	Confident	61.4	Low	53 Å²	53	73.8 Å²	73.8	25%	0.248	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	135.3	164.4	-164.2	168.8	-133.7	0	0	109.8	H102 L104 R269	E80-H102 PolarHBondContact N-O 3.14Å; E80-L104 HydrophobicContact CB-CD1 3.87Å; E80-L104 HydrophobicContact CB-CG 4.08Å; E80-L104 HydrophobicContact CG-CD1 4.25Å; E80-R269 IonicContact OE1-CZ 2.66Å; E80-R269 IonicContact OE1-NE 3.56Å; E80-R269 PolarHBondContact OE1-NE 2.91Å; E80-R269 IonicContact OE1-NH2 3.46Å; E80-R269 PolarHBondContact OE1-NH2 3.39Å
81	R	78.2	Confident	60	Low	60 Å²	60	77 Å²	77	23%	0.226	41%	0.408	C	S	.	.			trans	-120.7	128	-180	-74.3	-65.8	-171.9	-163	-9	111.6	E85 S101 Y270 Q272	R81-E85 WeakPolarHBondContact CD-OE2 3.42Å; R81-E85 IonicContact CZ-OE2 3.17Å; R81-E85 IonicContact NE-OE2 2.71Å; R81-E85 IonicContact NH1-OE2 2.74Å; R81-E85 PolarHBondContact NH1-OE2 2.82Å; R81-S101 PolarHBondContact NH1-OG 3.24Å; R81-Y270 PolarHBondContact N-O 3.04Å; R81-Q272 HydrophobicContact CG-CB 3.96Å
82	K	64.8	Low	58.7	Low	157 Å²	157	77 Å²	77	68%	0.683	41%	0.412	S	S	*	.			trans	-78.7	154.9	171.5	-65.2	-169.5	177	-173.3	0	110.9	E84 E85	K82-E84 VanDerWaalsContact C-N 3.26Å; K82-E84 PolarHBondContact O-N 2.75Å; K82-E85 PolarHBondContact O-N 3.48Å
83	D	53.4	Low	57.3	Low	79 Å²	79	82 Å²	82	42%	0.422	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-61.9	-32.3	-168.4	-62.4	-13	0	0	0	113.9	R86 Q264	D83-R86 WeakPolarHBondContact O-CG 3.47Å; D83-R86 IonicContact OD1-CZ 3.21Å; D83-R86 IonicContact OD1-NE 3Å; D83-R86 IonicContact OD1-NH2 2.68Å; D83-R86 PolarHBondContact OD1-NH2 2.78Å; D83-R86 IonicContact OD2-NH2 2.69Å; D83-Q264 PolarHBondContact OD2-NE2 3.35Å
84	E	49.2	Very low	55.5	Low	184 Å²	184	88.2 Å²	88.2	86%	0.86	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-74.2	-26.4	178	-59.2	178.1	168.5	0	0	113	K82 R86	K82-E84 VanDerWaalsContact C-N 3.26Å; K82-E84 PolarHBondContact O-N 2.75Å; E84-R86 PolarHBondContact O-N 3.25Å
85	E	49.9	Very low	53.1	Low	63 Å²	63	95.5 Å²	95.5	29%	0.294	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-77.2	-3.5	-178.5	-64.3	-172.1	174.7	0	0	113.2	R81 K82 A87 S99 S101	R81-E85 WeakPolarHBondContact CD-OE2 3.42Å; R81-E85 IonicContact CZ-OE2 3.17Å; R81-E85 IonicContact NE-OE2 2.71Å; R81-E85 IonicContact NH1-OE2 2.74Å; R81-E85 PolarHBondContact NH1-OE2 2.82Å; K82-E85 PolarHBondContact O-N 3.48Å; E85-A87 PolarHBondContact O-N 3.1Å; E85-S99 PolarHBondContact OE1-OG 3.34Å; E85-S101 PolarHBondContact OE2-OG 2.99Å
86	R	46.5	Very low	51	Low	74 Å²	74	98.3 Å²	98.3	28%	0.279	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-72.7	-25.1	-176.7	-60.3	-178.5	-164.7	160.2	8.5	114	D83 E84 G88 Q264 Y270	D83-R86 WeakPolarHBondContact O-CG 3.47Å; D83-R86 IonicContact OD1-CZ 3.21Å; D83-R86 IonicContact OD1-NE 3Å; D83-R86 IonicContact OD1-NH2 2.68Å; D83-R86 PolarHBondContact OD1-NH2 2.78Å; D83-R86 IonicContact OD2-NH2 2.69Å; E84-R86 PolarHBondContact O-N 3.25Å; R86-G88 VanDerWaalsContact C-N 3.25Å; R86-G88 PolarHBondContact O-N 3.45Å; R86-Q264 VanDerWaalsContact NH2-CD 3.34Å; R86-Y270 VanDerWaalsContact NH2-CZ 3.3Å
87	A	41.8	Very low	48.7	Very low	77 Å²	77	106 Å²	106	64%	0.636	55%	0.554	S	S	*	*			trans	-77.3	69.9	-175.9	0	0	0	0	0	111.9	E85 L89	E85-A87 PolarHBondContact O-N 3.1Å; A87-L89 PolarHBondContact O-N 3.06Å
88	G	39.4	Very low	46.5	Very low	75 Å²	75	112 Å²	112	77%	0.773	59%	0.591	S	S	*	*			trans	-68.6	23.2	-176.6	0	0	0	0	0	116.6	R86	R86-G88 VanDerWaalsContact C-N 3.25Å; R86-G88 PolarHBondContact O-N 3.45Å
89	L	37.7	Very low	44.3	Very low	141 Å²	141	115.5 Å²	115.5	74%	0.738	62%	0.616	S	S	*	*	S	Bend	trans	-136.8	133.7	174	-74.4	172.4	0	0	0	109.3	A87	A87-L89 PolarHBondContact O-N 3.06Å
90	L	32.2	Very low	42.3	Very low	175 Å²	175	118.9 Å²	118.9	92%	0.916	64%	0.642	S	S	*	*			trans	72.2	55.6	-179.7	-53.5	176.4	0	0	0	117.1
91	Q	26.1	Very low	40.9	Very low	171 Å²	171	118.2 Å²	118.2	80%	0.799	64%	0.643	S	S	*	*			trans	-117.4	139.9	143.3	-67.6	-160.6	17	0	0	110.8
92	S	26.7	Very low	40.6	Very low	83 Å²	83	121 Å²	121	58%	0.58	66%	0.659	S	S	*	*			trans	-79.3	149.7	178.5	59	0	0	0	0	111.7	Y94	S92-Y94 PolarHBondContact O-N 2.84Å
93	P	29.1	Very low	41.2	Very low	120 Å²	120	116.8 Å²	116.8	78%	0.779	65%	0.649	S	S	*	*	S	Bend	trans	-70.2	16.1	-174.9	30.8	-38.1	0	0	0	115.8
94	Y	31	Very low	42.5	Very low	170 Å²	170	114 Å²	114	67%	0.667	63%	0.634	S	S	*	*			trans	-131.4	64	179.7	-69.3	-60.3	0	0	0	112.3	S92 K954	S92-Y94 PolarHBondContact O-N 2.84Å; Y94-K954 WeakPolarHBondContact OH-CE 3.22Å; Y94-K954 PolarHBondContact OH-NZ 2.93Å
95	K	25.4	Very low	44.1	Very low	176 Å²	176	108.5 Å²	108.5	77%	0.765	61%	0.613	S	S	*	*			trans	-134.5	101.4	152.2	-88.4	-164.1	173.6	-173.7	0	110.4	Q97	K95-Q97 PolarHBondContact O-N 2.75Å
96	T	34	Very low	45.5	Very low	146 Å²	146	106.7 Å²	106.7	90%	0.896	61%	0.606	S	S	*	*			trans	-75.9	99.3	167.9	-12.1	0	0	0	0	108.7
97	Q	29	Very low	47	Very low	173 Å²	173	107.8 Å²	107.8	81%	0.808	61%	0.614	S	S	*	*			trans	-155.6	118.7	162.3	-116.4	157	26.9	0	0	112.7	K95 S99	K95-Q97 PolarHBondContact O-N 2.75Å; Q97-S99 PolarHBondContact O-N 3.29Å
98	T	34.2	Very low	48.9	Very low	146 Å²	146	107.6 Å²	107.6	90%	0.896	60%	0.6	S	S	*	*			trans	-36.1	103.8	170.1	47.6	0	0	0	0	116.2
99	S	36.4	Very low	51.1	Low	79 Å²	79	104 Å²	104	55%	0.552	56%	0.563	S	S	*	*			trans	-120	115.4	138	61.4	0	0	0	0	108.5	E85 Q97 S101	E85-S99 PolarHBondContact OE1-OG 3.34Å; Q97-S99 PolarHBondContact O-N 3.29Å; S99-S101 PolarHBondContact O-N 3.19Å
100	S	39.7	Very low	53.3	Low	95 Å²	95	98.2 Å²	98.2	66%	0.664	53%	0.532	S	S	*	.			trans	-84.2	96.2	172.6	52.5	0	0	0	0	108.7	H102	S100-H102 PolarHBondContact O-CD2 3.33Å; S100-H102 PolarHBondContact O-N 3.4Å; S100-H102 VanDerWaalsContact O-N 3.12Å
101	S	55.2	Low	55.6	Low	38 Å²	38	93.6 Å²	93.6	27%	0.266	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-57.2	117.1	172.4	-43.6	0	0	0	0	108.9	R81 E85 S99 S103	R81-S101 PolarHBondContact NH1-OG 3.24Å; E85-S101 PolarHBondContact OE2-OG 2.99Å; S99-S101 PolarHBondContact O-N 3.19Å; S101-S103 PolarHBondContact O-N 2.56Å
102	H	69.9	Low	57.6	Low	120 Å²	120	91.1 Å²	91.1	56%	0.556	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-70.2	131.1	-173.3	-70.5	-92.1	0	0	0	110.4	E80 S100	E80-H102 PolarHBondContact N-O 3.14Å; S100-H102 PolarHBondContact O-CD2 3.33Å; S100-H102 PolarHBondContact O-N 3.4Å; S100-H102 VanDerWaalsContact O-N 3.12Å
103	S	77.7	Confident	59.3	Low	68 Å²	68	89.3 Å²	89.3	48%	0.476	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-74.8	127.5	169.6	-174.6	0	0	0	0	108.7	L77 I78 S101	L77-S103 WeakPolarHBondContact CD1-OG 3.26Å; I78-S103 WeakPolarHBondContact O-CA 3.04Å; S101-S103 PolarHBondContact O-N 2.56Å
104	L	81.6	Confident	60.5	Low	20 Å²	20	92.1 Å²	92.1	11%	0.105	50%	0.501	C	S	.	.			trans	-104.5	144.3	175.2	-60.8	-179.3	0	0	0	110.2	I78 E80 Q108 L109	I78-L104 PolarHBondContact O-N 2.96Å; E80-L104 HydrophobicContact CB-CD1 3.87Å; E80-L104 HydrophobicContact CB-CG 4.08Å; E80-L104 HydrophobicContact CG-CD1 4.25Å; L104-Q108 HydrophobicContact CB-CB 4.41Å; L104-Q108 HydrophobicContact CD2-CB 4.16Å; L104-L109 HydrophobicContact CD1-CD2 4.08Å
105	T	82.5	Confident	61.6	Low	69 Å²	69	88.5 Å²	88.5	42%	0.423	51%	0.506	S	S	.	.			trans	-76.5	168	157.9	72.4	0	0	0	0	110	E107 Q108	T105-E107 PolarHBondContact O-N 3.27Å; T105-E107 PolarHBondContact OG1-N 3.07Å; T105-Q108 PolarHBondContact O-N 3.08Å; T105-Q108 WeakPolarHBondContact OG1-CG 3.28Å; T105-Q108 PolarHBondContact OG1-N 3.19Å
106	V	79.3	Confident	63.1	Low	24 Å²	24	84.4 Å²	84.4	15%	0.145	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.5	173	177.2	0	0	0	0	111.4	I78 L109 I137 L141 M151	I78-V106 HydrophobicContact CD1-CG2 3.95Å; V106-L109 HydrophobicContact CG1-CD1 4.41Å; V106-L109 WeakPolarHBondContact O-CB 3.45Å; V106-L109 WeakPolarHBondContact O-CD1 3.3Å; V106-L109 WeakPolarHBondContact O-CG 3.42Å; V106-I137 HydrophobicContact CG1-CG2 4.37Å; V106-I137 HydrophobicContact CG2-CG2 3.91Å; V106-L141 HydrophobicContact CG1-CB 4.43Å; V106-L141 HydrophobicContact CG1-CD1 3.73Å; V106-L141 HydrophobicContact CG1-CG 4.08Å; V106-M151 HydrophobicContact CG1-CE 4.28Å; V106-M151 WeakPolarHBondContact O-CE 3.21Å
107	E	77.2	Confident	64	Low	97 Å²	97	79.9 Å²	79.9	45%	0.453	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-44.4	-177.1	-41.7	-160.6	117.6	0	0	111.3	T105 L109 F110 T150	T105-E107 PolarHBondContact O-N 3.27Å; T105-E107 PolarHBondContact OG1-N 3.07Å; E107-L109 PolarHBondContact O-N 2.81Å; E107-L109 VanDerWaalsContact O-N 3.08Å; E107-F110 PolarHBondContact O-N 3.35Å; E107-T150 HydrophobicContact CG-CG2 3.8Å; E107-T150 VanDerWaalsContact OE1-CB 3.27Å; E107-T150 WeakPolarHBondContact OE1-CB 3.37Å; E107-T150 WeakPolarHBondContact OE1-CG2 3.34Å; E107-T150 PolarHBondContact OE1-OG1 3.42Å
108	Q	83.5	Confident	65.4	Low	73 Å²	73	81.2 Å²	81.2	34%	0.341	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-65.8	-9.9	179.2	-66.6	172.8	-41.5	0	0	113.9	L104 T105 F110 D111 R269	L104-Q108 HydrophobicContact CB-CB 4.41Å; L104-Q108 HydrophobicContact CD2-CB 4.16Å; T105-Q108 PolarHBondContact O-N 3.08Å; T105-Q108 WeakPolarHBondContact OG1-CG 3.28Å; T105-Q108 PolarHBondContact OG1-N 3.19Å; Q108-F110 PolarHBondContact O-N 3.09Å; Q108-F110 VanDerWaalsContact O-N 3.08Å; Q108-D111 WeakPolarHBondContact CA-OD2 3.14Å; Q108-D111 WeakPolarHBondContact CB-OD2 3.49Å; Q108-D111 WeakPolarHBondContact CG-OD2 3.14Å; Q108-D111 PolarHBondContact O-N 3.24Å; Q108-R269 PolarHBondContact O-NH1 3.34Å
109	L	84	Confident	66.8	Low	0 Å²	0	77.1 Å²	77.1	0%	0	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-55.7	-25.6	174.5	-69.2	179.5	0	0	0	112.9	I78 L104 V106 E107 V124 R269 A271	I78-L109 HydrophobicContact CG2-CD2 4.32Å; L104-L109 HydrophobicContact CD1-CD2 4.08Å; V106-L109 HydrophobicContact CG1-CD1 4.41Å; V106-L109 WeakPolarHBondContact O-CB 3.45Å; V106-L109 WeakPolarHBondContact O-CD1 3.3Å; V106-L109 WeakPolarHBondContact O-CG 3.42Å; E107-L109 PolarHBondContact O-N 2.81Å; E107-L109 VanDerWaalsContact O-N 3.08Å; L109-V124 HydrophobicContact CB-CG1 4.35Å; L109-V124 HydrophobicContact CD2-CG1 4.25Å; L109-V124 WeakPolarHBondContact O-CG2 3.41Å; L109-R269 VanDerWaalsContact C-NH1 3.35Å; L109-R269 WeakPolarHBondContact O-CD 3.23Å; L109-R269 PolarHBondContact O-NH1 3.33Å; L109-A271 HydrophobicContact CD2-CB 3.66Å
110	F	85	Confident	68.6	Low	19 Å²	19	77 Å²	77	8%	0.083	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-108.8	9.3	-178.6	-68.7	-82.7	0	0	0	115	E107 Q108 L122 V124 M151 F154 L202 L251	E107-F110 PolarHBondContact O-N 3.35Å; Q108-F110 PolarHBondContact O-N 3.09Å; Q108-F110 VanDerWaalsContact O-N 3.08Å; F110-L122 HydrophobicContact CB-CD1 4.31Å; F110-L122 HydrophobicContact CD1-CB 4.01Å; F110-L122 HydrophobicContact CD1-CD1 4.24Å; F110-L122 HydrophobicContact CE1-CB 4.35Å; F110-L122 WeakPolarHBondContact O-CD1 3.26Å; F110-V124 HydrophobicContact CD1-CG2 4.06Å; F110-V124 HydrophobicContact CE1-CG2 3.7Å; F110-V124 HydrophobicContact CZ-CG2 4.01Å; F110-M151 HydrophobicContact CD2-CE 3.62Å; F110-M151 HydrophobicContact CD2-SD 3.85Å; F110-M151 HydrophobicContact CE2-CE 3.95Å; F110-M151 HydrophobicContact CE2-SD 4.3Å; F110-F154 HydrophobicContact CD1-CE2 4.12Å; F110-F154 AromaticContact CD1-CZ 3.96Å; F110-F154 HydrophobicContact CD1-CZ 3.96Å; F110-F154 HydrophobicContact CD2-CE2 4.21Å; F110-F154 HydrophobicContact CE1-CE2 4.39Å; F110-F154 HydrophobicContact CE1-CZ 4.28Å; F110-F154 HydrophobicContact CE2-CE2 4.45Å; F110-F154 HydrophobicContact CG-CE2 4.03Å; F110-F154 HydrophobicContact CG-CZ 4.25Å; F110-L202 HydrophobicContact CE1-CD1 3.93Å; F110-L202 HydrophobicContact CE2-CD1 4.29Å; F110-L202 HydrophobicContact CE2-CD2 4.22Å; F110-L202 HydrophobicContact CZ-CD1 3.47Å; F110-L202 VanDerWaalsContact CZ-CD1 3.47Å; F110-L202 HydrophobicContact CZ-CD2 4.2Å; F110-L251 HydrophobicContact CZ-CB 3.95Å
111	D	81.2	Confident	70.7	Confident	78 Å²	78	72.8 Å²	72.8	42%	0.417	41%	0.412	S	S	.	.			trans	-65.8	138.8	174.9	-69.4	-19.8	0	0	0	110.8	Q108 R269	Q108-D111 WeakPolarHBondContact CA-OD2 3.14Å; Q108-D111 WeakPolarHBondContact CB-OD2 3.49Å; Q108-D111 WeakPolarHBondContact CG-OD2 3.14Å; Q108-D111 PolarHBondContact O-N 3.24Å; D111-R269 PolarHBondContact O-NH1 2.97Å; D111-R269 PolarHBondContact O-NH2 2.81Å; D111-R269 VanDerWaalsContact O-NH2 3.17Å
112	P	66.9	Low	72.2	Confident	120 Å²	120	71.5 Å²	71.5	78%	0.779	40%	0.402	S	S	*	.			trans	-62.2	158.6	-179.1	26.3	-34.7	0	0	0	112.6
113	T	63.2	Low	73.2	Confident	44 Å²	44	66 Å²	66	27%	0.27	38%	0.377	S	S	.	.			trans	-131.6	149.6	179.4	56.4	0	0	0	0	111.2	A115 W116	T113-A115 PolarHBondContact O-N 2.93Å; T113-W116 PolarHBondContact O-N 2.98Å
114	D	53.8	Low	73.8	Confident	180 Å²	180	62.8 Å²	62.8	96%	0.963	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.1	-171.8	-52.7	-48.5	0	0	0	114.9
115	A	53.1	Low	74.2	Confident	93 Å²	93	61.8 Å²	61.8	77%	0.769	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	13.9	-174.9	0	0	0	0	0	113.7	T113	T113-A115 PolarHBondContact O-N 2.93Å
116	W	56.8	Low	74.5	Confident	90 Å²	90	58.5 Å²	58.5	34%	0.341	33%	0.329	S	S	.	.			trans	-128.3	138.7	-159.5	-126.1	48.3	0	0	0	115.4	T113 R120 G121 L122 S268	T113-W116 PolarHBondContact O-N 2.98Å; W116-R120 HydrophobicContact CH2-CB 4.11Å; W116-R120 WeakPolarHBondContact CZ3-O 3.32Å; W116-G121 WeakPolarHBondContact CH2-O 3.16Å; W116-L122 HydrophobicContact CD2-CD2 3.95Å; W116-L122 HydrophobicContact CE3-CD2 3.47Å; W116-L122 VanDerWaalsContact CE3-CD2 3.47Å; W116-L122 HydrophobicContact CE3-CG 4.07Å; W116-L122 HydrophobicContact CH2-CD2 4.11Å; W116-L122 HydrophobicContact CH2-CG 4.39Å; W116-L122 HydrophobicContact CZ2-CD2 4.47Å; W116-L122 HydrophobicContact CZ3-CB 4.31Å; W116-L122 HydrophobicContact CZ3-CD2 3.54Å; W116-L122 HydrophobicContact CZ3-CG 3.73Å; W116-S268 VanDerWaalsContact CE2-OG 3.29Å; W116-S268 WeakPolarHBondContact CZ2-OG 3.32Å
117	S	54.8	Low	74.5	Confident	52 Å²	52	58 Å²	58	36%	0.364	33%	0.325	S	S	.	.			trans	-76.8	132	-174	58.6	0	0	0	0	112.4	G119	S117-G119 PolarHBondContact O-N 3.25Å
118	E	56.9	Low	73.8	Confident	201 Å²	201	53.6 Å²	53.6	94%	0.939	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	132.6	172.7	-61.8	-174.9	124.9	0	0	111.5
119	G	64.8	Low	72.6	Confident	60 Å²	60	52.3 Å²	52.3	62%	0.619	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.6	-2.6	172	0	0	0	0	0	117.9	S117 E247	S117-G119 PolarHBondContact O-N 3.25Å; G119-E247 WeakPolarHBondContact O-CB 3.38Å; G119-E247 WeakPolarHBondContact O-CG 3.35Å
120	R	74.6	Confident	71.3	Confident	77 Å²	77	56.9 Å²	56.9	29%	0.291	34%	0.335	S	S	.	.			trans	-109	154.8	173.7	-62.6	-171.1	-179.1	-166.1	2.3	111.9	W116 P246 E559	W116-R120 HydrophobicContact CH2-CB 4.11Å; W116-R120 WeakPolarHBondContact CZ3-O 3.32Å; R120-P246 WeakPolarHBondContact CA-O 3.45Å; R120-P246 HydrophobicContact CG-CB 4.43Å; R120-E559 PolarHBondContact NH2-O 2.95Å
121	G	81.9	Confident	69.7	Low	6 Å²	6	57.1 Å²	57.1	6%	0.062	34%	0.343	C	S	.	.			trans	-102.6	134.4	-174	0	0	0	0	0	114.2	W116 N123 K242 P246 E247	W116-G121 WeakPolarHBondContact CH2-O 3.16Å; G121-N123 PolarHBondContact O-N 2.59Å; G121-K242 WeakPolarHBondContact O-CE 3.45Å; G121-K242 PolarHBondContact O-NZ 3.21Å; G121-P246 PolarHBondContact N-O 3.08Å; G121-P246 VanDerWaalsContact N-O 3.11Å; G121-E247 VanDerWaalsContact CA-O 3.23Å; G121-E247 WeakPolarHBondContact CA-O 3.32Å
122	L	87.9	Confident	68.8	Low	11 Å²	11	53.4 Å²	53.4	6%	0.058	32%	0.323	C	S	.	.			trans	-58.3	135.4	-165.2	-75.2	166.1	0	0	0	114.2	F110 W116 V124 S249 I250 S268	F110-L122 HydrophobicContact CB-CD1 4.31Å; F110-L122 HydrophobicContact CD1-CB 4.01Å; F110-L122 HydrophobicContact CD1-CD1 4.24Å; F110-L122 HydrophobicContact CE1-CB 4.35Å; F110-L122 WeakPolarHBondContact O-CD1 3.26Å; W116-L122 HydrophobicContact CD2-CD2 3.95Å; W116-L122 HydrophobicContact CE3-CD2 3.47Å; W116-L122 VanDerWaalsContact CE3-CD2 3.47Å; W116-L122 HydrophobicContact CE3-CG 4.07Å; W116-L122 HydrophobicContact CH2-CD2 4.11Å; W116-L122 HydrophobicContact CH2-CG 4.39Å; W116-L122 HydrophobicContact CZ2-CD2 4.47Å; W116-L122 HydrophobicContact CZ3-CB 4.31Å; W116-L122 HydrophobicContact CZ3-CD2 3.54Å; W116-L122 HydrophobicContact CZ3-CG 3.73Å; L122-V124 HydrophobicContact CB-CG2 4.16Å; L122-S249 PolarHBondContact N-OG 3.1Å; L122-I250 PolarHBondContact O-N 3.04Å; L122-S268 VanDerWaalsContact CD2-CB 3.42Å
123	N	89.8	Confident	68.8	Low	4 Å²	4	48.4 Å²	48.4	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	97.8	166.5	-76.7	-9.2	0	0	0	108.9	G121 L240 K242 I250 M252 Y266 S268 R269	G121-N123 PolarHBondContact O-N 2.59Å; N123-L240 PolarHBondContact ND2-O 3.47Å; N123-K242 VanDerWaalsContact OD1-CE 3.23Å; N123-K242 WeakPolarHBondContact OD1-CE 3.28Å; N123-K242 PolarHBondContact OD1-NZ 2.86Å; N123-I250 CarbonylContact C-O 3.22Å; N123-I250 WeakPolarHBondContact CA-O 3.45Å; N123-I250 WeakPolarHBondContact OD1-CD1 3.31Å; N123-M252 HydrophobicContact CB-CE 4.06Å; N123-Y266 VanDerWaalsContact CB-O 3.27Å; N123-Y266 WeakPolarHBondContact CB-O 3.18Å; N123-Y266 PolarHBondContact ND2-O 2.9Å; N123-S268 PolarHBondContact N-OG 3.24Å; N123-S268 PolarHBondContact O-N 2.83Å; N123-R269 PolarHBondContact O-N 2.81Å
124	V	91.3	Very high	69.5	Low	0 Å²	0	47.3 Å²	47.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.8	179.9	-173.7	0	0	0	0	109.6	L109 F110 L122 I250 L251 M252	L109-V124 HydrophobicContact CB-CG1 4.35Å; L109-V124 HydrophobicContact CD2-CG1 4.25Å; L109-V124 WeakPolarHBondContact O-CG2 3.41Å; F110-V124 HydrophobicContact CD1-CG2 4.06Å; F110-V124 HydrophobicContact CE1-CG2 3.7Å; F110-V124 HydrophobicContact CZ-CG2 4.01Å; L122-V124 HydrophobicContact CB-CG2 4.16Å; V124-I250 PolarHBondContact N-O 3.49Å; V124-L251 HydrophobicContact CB-CD1 4.01Å; V124-L251 HydrophobicContact CG1-CD1 3.89Å; V124-L251 WeakPolarHBondContact O-CA 3.39Å; V124-M252 PolarHBondContact O-N 3.18Å
125	L	90.1	Very high	70.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	107.3	174.2	-173.1	64.2	0	0	0	110.9	M252 T254 V259 I262 V267 R269 Y270 A271	L125-M252 HydrophobicContact CB-CE 4.4Å; L125-M252 HydrophobicContact CD1-CB 3.5Å; L125-M252 HydrophobicContact CD1-CE 4.5Å; L125-M252 HydrophobicContact CD1-SD 4.26Å; L125-T254 HydrophobicContact CD1-CG2 3.82Å; L125-T254 HydrophobicContact CG-CG2 4.49Å; L125-V259 HydrophobicContact CD2-CG1 4.02Å; L125-I262 HydrophobicContact CD1-CD1 3.97Å; L125-V267 HydrophobicContact CB-CG1 3.58Å; L125-V267 HydrophobicContact CB-CG2 4.44Å; L125-V267 HydrophobicContact CD2-CG2 4.4Å; L125-R269 PolarHBondContact N-O 2.92Å; L125-Y270 HydrophobicContact CD2-CD1 4.19Å; L125-Y270 HydrophobicContact CD2-CE1 3.71Å; L125-A271 PolarHBondContact O-N 2.9Å
126	L	88.3	Confident	71.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.1	174.7	-179.5	70.6	0	0	0	110.3	I78 I137 L251 M252 A253 T254 A271 I273	I78-L126 HydrophobicContact CG2-CD1 4.26Å; L126-I137 HydrophobicContact CD2-CD1 4.34Å; L126-L251 HydrophobicContact CB-CD1 3.75Å; L126-M252 PolarHBondContact N-O 2.82Å; L126-A253 VanDerWaalsContact O-CA 3.32Å; L126-A253 WeakPolarHBondContact O-CA 3.5Å; L126-T254 PolarHBondContact O-N 2.73Å; L126-A271 CarbonylContact C-O 3.58Å; L126-A271 VanDerWaalsContact CA-O 3.31Å; L126-A271 WeakPolarHBondContact CA-O 3.38Å; L126-A271 HydrophobicContact CD1-CB 3.94Å; L126-I273 HydrophobicContact CD1-CB 3.99Å; L126-I273 HydrophobicContact CD1-CG2 4.12Å; L126-I273 HydrophobicContact CG-CG2 4.26Å
127	Y	79.8	Confident	72.9	Confident	13 Å²	13	36.1 Å²	36.1	5%	0.051	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.6	-172	73.3	-82.4	0	0	0	114.3	T254 L256 V259 Y270 A271 Q272 I273	Y127-T254 WeakPolarHBondContact CA-O 3.4Å; Y127-L256 HydrophobicContact CD2-CD1 3.69Å; Y127-L256 HydrophobicContact CE2-CD1 3.67Å; Y127-V259 VanDerWaalsContact CB-CG2 3.48Å; Y127-V259 HydrophobicContact CD1-CG2 4.36Å; Y127-V259 HydrophobicContact CD2-CG2 3.59Å; Y127-V259 HydrophobicContact CE2-CG2 4.4Å; Y127-V259 HydrophobicContact CG-CG2 3.55Å; Y127-Y270 HydrophobicContact CD1-CD1 4.42Å; Y127-Y270 HydrophobicContact CE1-CD1 4.01Å; Y127-A271 WeakPolarHBondContact CD1-O 3.24Å; Y127-A271 PolarHBondContact N-O 3.14Å; Y127-Q272 HydrophobicContact CE1-CB 4.12Å; Y127-Q272 HydrophobicContact CE2-CB 4.25Å; Y127-Q272 HydrophobicContact CE2-CG 3.95Å; Y127-Q272 WeakPolarHBondContact O-CA 3.3Å; Y127-I273 WeakPolarHBondContact O-CG2 3.17Å; Y127-I273 PolarHBondContact O-N 3.44Å
128	G	62.3	Low	74.3	Confident	4 Å²	4	34.1 Å²	34.1	4%	0.041	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.7	-177.8	175.4	0	0	0	0	0	112.6	K134 T254 R255 L256	G128-K134 VanDerWaalsContact C-NZ 3.34Å; G128-K134 PolarHBondContact O-NZ 2.84Å; G128-T254 PolarHBondContact N-O 3.5Å; G128-R255 WeakPolarHBondContact O-CA 3.36Å; G128-L256 PolarHBondContact O-N 3.39Å; G128-L256 VanDerWaalsContact O-N 3.16Å
129	A	57.7	Low	75.5	Confident	47 Å²	47	29.2 Å²	29.2	39%	0.388	19%	0.187	S	C	.	.			trans	-63.3	170.9	-179.9	0	0	0	0	0	113.9	T132 K134	A129-T132 HydrophobicContact CB-CG2 3.86Å; A129-T132 WeakPolarHBondContact O-CG2 3.47Å; A129-T132 PolarHBondContact O-OG1 2.65Å; A129-K134 PolarHBondContact O-NZ 2.75Å
130	V	56.9	Low	76.4	Confident	95 Å²	95	28.3 Å²	28.3	58%	0.576	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	145.5	168.7	-178.9	0	0	0	0	108.6	T132 R255 L325	V130-T132 VanDerWaalsContact C-N 3.31Å; V130-T132 PolarHBondContact O-N 2.88Å; V130-R255 HydrophobicContact CG2-CG 4.39Å; V130-L325 WeakPolarHBondContact O-CD2 3.4Å
131	G	52.3	Low	77	Confident	24 Å²	24	24.7 Å²	24.7	25%	0.247	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-10.9	-179.8	0	0	0	0	0	116.6	G133 P326 S327	G131-G133 PolarHBondContact O-N 2.88Å; G131-P326 WeakPolarHBondContact O-CD 3.33Å; G131-S327 VanDerWaalsContact CA-OG 3.26Å; G131-S327 WeakPolarHBondContact CA-OG 3.45Å
132	T	62.3	Low	77.3	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.006	15%	0.15	C	C	.	.	S	Bend	trans	-66.4	-7.9	-174.6	62.9	0	0	0	0	116.2	A129 V130 K134 I273 F324 L325	A129-T132 HydrophobicContact CB-CG2 3.86Å; A129-T132 WeakPolarHBondContact O-CG2 3.47Å; A129-T132 PolarHBondContact O-OG1 2.65Å; V130-T132 VanDerWaalsContact C-N 3.31Å; V130-T132 PolarHBondContact O-N 2.88Å; T132-K134 PolarHBondContact OG1-NZ 3.28Å; T132-I273 WeakPolarHBondContact O-CD1 3.33Å; T132-F324 HydrophobicContact CG2-CE1 4.35Å; T132-L325 HydrophobicContact CG2-CD2 3.63Å
133	G	66.7	Low	77.3	Confident	14 Å²	14	24 Å²	24	14%	0.144	15%	0.147	C	C	.	.	S	Bend	trans	100.2	7.2	177.7	0	0	0	0	0	116.7	G131 A135 T136 I137	G131-G133 PolarHBondContact O-N 2.88Å; G133-A135 PolarHBondContact O-N 3.22Å; G133-T136 WeakPolarHBondContact O-CA 3.28Å; G133-T136 WeakPolarHBondContact O-CB 3.33Å; G133-T136 PolarHBondContact O-N 3.43Å; G133-T136 PolarHBondContact O-OG1 2.96Å; G133-I137 PolarHBondContact O-N 2.99Å
134	K	77.6	Confident	77.1	Confident	22 Å²	22	24.7 Å²	24.7	10%	0.096	15%	0.151	C	C	.	.	H	α-helix	trans	-45.2	-54.7	-179.2	-77.9	-178.5	-69.2	-71.9	0	114.6	G128 A129 T132 T136 I137 V138 T254 I273	G128-K134 VanDerWaalsContact C-NZ 3.34Å; G128-K134 PolarHBondContact O-NZ 2.84Å; A129-K134 PolarHBondContact O-NZ 2.75Å; T132-K134 PolarHBondContact OG1-NZ 3.28Å; K134-T136 PolarHBondContact O-N 3.18Å; K134-I137 PolarHBondContact O-N 3.12Å; K134-V138 PolarHBondContact O-N 3.33Å; K134-V138 VanDerWaalsContact O-N 3.08Å; K134-T254 WeakPolarHBondContact CD-O 3.11Å; K134-T254 WeakPolarHBondContact CE-O 3.05Å; K134-I273 HydrophobicContact CD-CG2 4.26Å; K134-I273 HydrophobicContact CG-CD1 4.2Å; K134-I273 HydrophobicContact CG-CG2 3.63Å
135	A	72.8	Confident	77	Confident	54 Å²	54	25.1 Å²	25.1	45%	0.446	15%	0.153	S	C	.	.	H	α-helix	trans	-65.6	-28.4	-179.9	0	0	0	0	0	112.4	G133 R139	G133-A135 PolarHBondContact O-N 3.22Å; A135-R139 WeakPolarHBondContact O-CB 3.41Å; A135-R139 PolarHBondContact O-N 2.94Å
136	T	78.3	Confident	77	Confident	71 Å²	71	26 Å²	26	44%	0.436	16%	0.159	S	C	.	.	H	α-helix	trans	-69.6	-41.1	174.8	-40	0	0	0	0	111.5	G133 K134 R139 K140	G133-T136 WeakPolarHBondContact O-CA 3.28Å; G133-T136 WeakPolarHBondContact O-CB 3.33Å; G133-T136 PolarHBondContact O-N 3.43Å; G133-T136 PolarHBondContact O-OG1 2.96Å; K134-T136 PolarHBondContact O-N 3.18Å; T136-R139 PolarHBondContact O-N 2.93Å; T136-K140 WeakPolarHBondContact O-CB 3.31Å; T136-K140 PolarHBondContact O-N 3.1Å
137	I	83.6	Confident	76.8	Confident	3 Å²	3	28.8 Å²	28.8	2%	0.015	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-50.3	171.8	-59.4	-175.4	0	0	0	110	P76 I78 V106 L126 G133 K134 R139 K140 L141 I273	P76-I137 HydrophobicContact CG-CD1 3.62Å; P76-I137 HydrophobicContact CG-CG1 3.99Å; I78-I137 HydrophobicContact CD1-CD1 4Å; I78-I137 HydrophobicContact CG1-CD1 4.4Å; V106-I137 HydrophobicContact CG1-CG2 4.37Å; V106-I137 HydrophobicContact CG2-CG2 3.91Å; L126-I137 HydrophobicContact CD2-CD1 4.34Å; G133-I137 PolarHBondContact O-N 2.99Å; K134-I137 PolarHBondContact O-N 3.12Å; I137-R139 PolarHBondContact O-N 3.38Å; I137-K140 PolarHBondContact O-N 3.05Å; I137-K140 VanDerWaalsContact O-N 3.11Å; I137-L141 VanDerWaalsContact O-CB 3.3Å; I137-L141 WeakPolarHBondContact O-CB 3.45Å; I137-L141 PolarHBondContact O-N 3.18Å; I137-I273 HydrophobicContact CD1-CD1 3.49Å; I137-I273 VanDerWaalsContact CD1-CD1 3.49Å; I137-I273 HydrophobicContact CD1-CG1 4.19Å; I137-I273 HydrophobicContact CG1-CD1 4.19Å
138	V	83.8	Confident	76.9	Confident	10 Å²	10	30.1 Å²	30.1	6%	0.061	20%	0.2	C	C	.	.	H	α-helix	trans	-58.2	-39.1	179.3	174.2	0	0	0	0	111.1	K134 V142 L204 N206 A253	K134-V138 PolarHBondContact O-N 3.33Å; K134-V138 VanDerWaalsContact O-N 3.08Å; V138-V142 VanDerWaalsContact O-CG2 3.23Å; V138-V142 WeakPolarHBondContact O-CG2 3.46Å; V138-V142 PolarHBondContact O-N 3.09Å; V138-V142 VanDerWaalsContact O-N 3.15Å; V138-L204 HydrophobicContact CG1-CD1 4.17Å; V138-N206 HydrophobicContact CG1-CB 4.48Å; V138-A253 HydrophobicContact CG2-CB 4.21Å
139	R	82.1	Confident	77.8	Confident	98 Å²	98	35.1 Å²	35.1	37%	0.37	23%	0.225	S	C	.	.	H	α-helix	trans	-64.9	-45.8	174.1	176.3	178.7	-65.5	168.4	-1.3	112.7	F53 A135 T136 I137 L143	F53-R139 HydrophobicContact CB-CG 4.47Å; F53-R139 HydrophobicContact CD1-CB 4.17Å; F53-R139 HydrophobicContact CD1-CG 4.06Å; A135-R139 WeakPolarHBondContact O-CB 3.41Å; A135-R139 PolarHBondContact O-N 2.94Å; T136-R139 PolarHBondContact O-N 2.93Å; I137-R139 PolarHBondContact O-N 3.38Å; R139-L143 HydrophobicContact CG-CD1 4.32Å; R139-L143 WeakPolarHBondContact O-CG 3.35Å; R139-L143 PolarHBondContact O-N 3.06Å; R139-L143 VanDerWaalsContact O-N 3.15Å
140	K	84.6	Confident	78.8	Confident	40 Å²	40	33.8 Å²	33.8	17%	0.174	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-48.8	179.6	-177	57.9	167.1	72.7	0	111.3	H73 T136 I137 V142 L143 D144	H73-K140 HydrophobicContact CB-CD 4.21Å; T136-K140 WeakPolarHBondContact O-CB 3.31Å; T136-K140 PolarHBondContact O-N 3.1Å; I137-K140 PolarHBondContact O-N 3.05Å; I137-K140 VanDerWaalsContact O-N 3.11Å; K140-V142 PolarHBondContact O-N 3.4Å; K140-L143 WeakPolarHBondContact O-CB 3.33Å; K140-L143 PolarHBondContact O-N 2.78Å; K140-D144 WeakPolarHBondContact CD-OD2 3.48Å; K140-D144 WeakPolarHBondContact CG-OD2 3.27Å; K140-D144 IonicContact NZ-OD1 3.4Å; K140-D144 PolarHBondContact NZ-OD1 3.26Å; K140-D144 IonicContact NZ-OD2 3.65Å; K140-D144 PolarHBondContact NZ-OD2 3.47Å; K140-D144 PolarHBondContact O-N 3.11Å; K140-D144 VanDerWaalsContact O-OD2 3.12Å
141	L	87.7	Confident	79.9	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-55.3	-45.3	176	-169.7	171.8	0	0	0	112	V106 I137 D144 W145 M151 L157 L204 L251	V106-L141 HydrophobicContact CG1-CB 4.43Å; V106-L141 HydrophobicContact CG1-CD1 3.73Å; V106-L141 HydrophobicContact CG1-CG 4.08Å; I137-L141 VanDerWaalsContact O-CB 3.3Å; I137-L141 WeakPolarHBondContact O-CB 3.45Å; I137-L141 PolarHBondContact O-N 3.18Å; L141-D144 PolarHBondContact O-N 3.1Å; L141-W145 WeakPolarHBondContact O-CB 3.43Å; L141-W145 PolarHBondContact O-N 2.84Å; L141-M151 HydrophobicContact CD1-CE 4.45Å; L141-M151 HydrophobicContact CD2-CG 4.05Å; L141-M151 HydrophobicContact CG-CG 4.33Å; L141-L157 HydrophobicContact CD2-CD1 3.67Å; L141-L204 HydrophobicContact CD2-CD1 4.16Å; L141-L251 HydrophobicContact CD1-CD2 3.88Å
142	V	87.9	Confident	81.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-43.7	175.4	169.5	0	0	0	0	111.7	L49 F53 V138 K140 C146 L157 P159 L204	L49-V142 HydrophobicContact CB-CG1 4.08Å; L49-V142 HydrophobicContact CD1-CG1 4.35Å; F53-V142 HydrophobicContact CB-CG1 4.25Å; F53-V142 HydrophobicContact CD1-CB 4.05Å; F53-V142 HydrophobicContact CD1-CG1 3.97Å; F53-V142 HydrophobicContact CD1-CG2 4.42Å; F53-V142 HydrophobicContact CD2-CG1 3.7Å; F53-V142 HydrophobicContact CE1-CB 4.22Å; F53-V142 HydrophobicContact CE1-CG1 4.23Å; F53-V142 HydrophobicContact CE1-CG2 4.09Å; F53-V142 HydrophobicContact CE2-CG1 3.99Å; F53-V142 HydrophobicContact CG-CB 4.26Å; F53-V142 HydrophobicContact CG-CG1 3.7Å; F53-V142 HydrophobicContact CZ-CG1 4.24Å; F53-V142 HydrophobicContact CZ-CG2 4.3Å; V138-V142 VanDerWaalsContact O-CG2 3.23Å; V138-V142 WeakPolarHBondContact O-CG2 3.46Å; V138-V142 PolarHBondContact O-N 3.09Å; V138-V142 VanDerWaalsContact O-N 3.15Å; K140-V142 PolarHBondContact O-N 3.4Å; V142-C146 PolarHBondContact O-N 2.72Å; V142-C146 VanDerWaalsContact O-N 3.1Å; V142-C146 PolarHBondContact O-SG 3.21Å; V142-L157 HydrophobicContact CG2-CD2 3.98Å; V142-P159 HydrophobicContact CG2-CB 4.12Å; V142-P159 HydrophobicContact CG2-CG 4.31Å; V142-L204 HydrophobicContact CG2-CD1 3.79Å
143	L	87.1	Confident	82.3	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-65.3	-46.7	177.7	-72.4	170.6	0	0	0	112	F50 F53 P69 R139 K140 W145 C146 A147	F50-L143 HydrophobicContact CD2-CD2 3.85Å; F50-L143 HydrophobicContact CE2-CD2 4.15Å; F53-L143 HydrophobicContact CB-CD2 3.85Å; F53-L143 HydrophobicContact CB-CG 3.96Å; P69-L143 HydrophobicContact CB-CD1 3.74Å; P69-L143 HydrophobicContact CG-CD1 3.98Å; R139-L143 HydrophobicContact CG-CD1 4.32Å; R139-L143 WeakPolarHBondContact O-CG 3.35Å; R139-L143 PolarHBondContact O-N 3.06Å; R139-L143 VanDerWaalsContact O-N 3.15Å; K140-L143 WeakPolarHBondContact O-CB 3.33Å; K140-L143 PolarHBondContact O-N 2.78Å; L143-W145 VanDerWaalsContact C-N 3.34Å; L143-W145 PolarHBondContact O-N 2.89Å; L143-C146 WeakPolarHBondContact O-CB 3.3Å; L143-C146 PolarHBondContact O-N 2.66Å; L143-C146 VanDerWaalsContact O-N 3.08Å; L143-A147 PolarHBondContact O-N 3.4Å
144	D	85.7	Confident	83.3	Confident	20 Å²	20	37.9 Å²	37.9	11%	0.107	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-39.2	179.7	-67.7	-42.1	0	0	0	112.1	K140 L141 C146 A147 G148 N149	K140-D144 WeakPolarHBondContact CD-OD2 3.48Å; K140-D144 WeakPolarHBondContact CG-OD2 3.27Å; K140-D144 IonicContact NZ-OD1 3.4Å; K140-D144 PolarHBondContact NZ-OD1 3.26Å; K140-D144 IonicContact NZ-OD2 3.65Å; K140-D144 PolarHBondContact NZ-OD2 3.47Å; K140-D144 PolarHBondContact O-N 3.11Å; K140-D144 VanDerWaalsContact O-OD2 3.12Å; L141-D144 PolarHBondContact O-N 3.1Å; D144-C146 VanDerWaalsContact C-N 3.34Å; D144-A147 PolarHBondContact O-N 3.22Å; D144-G148 PolarHBondContact O-N 2.98Å; D144-N149 HydrophobicContact CB-CB 4.17Å; D144-N149 PolarHBondContact O-N 3.25Å
145	W	90.3	Very high	83.8	Confident	8 Å²	8	42.5 Å²	42.5	3%	0.03	24%	0.242	C	C	.	.	H	α-helix	trans	-66.5	-34.6	173.6	178.4	82	0	0	0	112.5	V42 K46 L49 L141 L143 G148 T150 F154 L157	V42-W145 HydrophobicContact CG1-CH2 4.49Å; K46-W145 HydrophobicContact CB-CZ3 4.49Å; K46-W145 HydrophobicContact CG-CE3 4.17Å; K46-W145 HydrophobicContact CG-CH2 3.67Å; K46-W145 HydrophobicContact CG-CZ2 4.45Å; K46-W145 HydrophobicContact CG-CZ3 3.51Å; L49-W145 HydrophobicContact CD1-CZ3 4.08Å; L141-W145 WeakPolarHBondContact O-CB 3.43Å; L141-W145 PolarHBondContact O-N 2.84Å; L143-W145 VanDerWaalsContact C-N 3.34Å; L143-W145 PolarHBondContact O-N 2.89Å; W145-G148 PolarHBondContact O-N 3.19Å; W145-T150 WeakPolarHBondContact CA-O 3.48Å; W145-F154 PolarHBondContact NE1-O 2.96Å; W145-L157 HydrophobicContact CB-CD1 3.74Å; W145-L157 HydrophobicContact CD2-CB 3.67Å; W145-L157 HydrophobicContact CD2-CD1 3.75Å; W145-L157 HydrophobicContact CD2-CG 4.34Å; W145-L157 HydrophobicContact CE3-CB 3.82Å; W145-L157 HydrophobicContact CE3-CD1 4.15Å; W145-L157 HydrophobicContact CE3-CG 4.49Å; W145-L157 HydrophobicContact CG-CB 4.28Å; W145-L157 HydrophobicContact CG-CD1 3.54Å; W145-L157 HydrophobicContact CH2-CB 4.03Å; W145-L157 HydrophobicContact CZ2-CB 3.87Å; W145-L157 HydrophobicContact CZ3-CB 4Å
146	C	88.3	Confident	84.7	Confident	20 Å²	20	40 Å²	40	14%	0.135	22%	0.221	C	C	.	.	H	α-helix	trans	-71.8	-32.6	174.5	-66.9	0	0	0	0	112.8	K46 L49 F50 V142 L143 D144 G148	K46-C146 HydrophobicContact CB-CB 4.45Å; K46-C146 PolarHBondContact O-SG 2.94Å; K46-C146 VanDerWaalsContact O-SG 3.41Å; L49-C146 VanDerWaalsContact CB-SG 3.56Å; F50-C146 HydrophobicContact CB-CB 3.96Å; F50-C146 HydrophobicContact CD2-CB 4.23Å; V142-C146 PolarHBondContact O-N 2.72Å; V142-C146 VanDerWaalsContact O-N 3.1Å; V142-C146 PolarHBondContact O-SG 3.21Å; L143-C146 WeakPolarHBondContact O-CB 3.3Å; L143-C146 PolarHBondContact O-N 2.66Å; L143-C146 VanDerWaalsContact O-N 3.08Å; D144-C146 VanDerWaalsContact C-N 3.34Å; C146-G148 VanDerWaalsContact C-N 3.35Å
147	A	85	Confident	85.4	Confident	57 Å²	57	36.6 Å²	36.6	47%	0.471	20%	0.2	S	C	.	.	H	α-helix	trans	-75.6	-22.6	172.5	0	0	0	0	0	113	L143 D144	L143-A147 PolarHBondContact O-N 3.4Å; D144-A147 PolarHBondContact O-N 3.22Å
148	G	82.5	Confident	85.9	Confident	42 Å²	42	36.4 Å²	36.4	43%	0.433	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	14.1	-177	0	0	0	0	0	114.6	D144 W145 C146 T152	D144-G148 PolarHBondContact O-N 2.98Å; W145-G148 PolarHBondContact O-N 3.19Å; C146-G148 VanDerWaalsContact C-N 3.35Å; G148-T152 VanDerWaalsContact O-CG2 3.27Å; G148-T152 WeakPolarHBondContact O-CG2 3.36Å
149	N	80.3	Confident	86.3	Confident	108 Å²	108	36.3 Å²	36.3	58%	0.578	20%	0.199	S	C	*	.	S	Bend	trans	-78.2	-39.8	-176.6	-60.9	-23.1	0	0	0	112.7	D144	D144-N149 HydrophobicContact CB-CB 4.17Å; D144-N149 PolarHBondContact O-N 3.25Å
150	T	79.4	Confident	86.6	Confident	19 Å²	19	32 Å²	32	12%	0.117	18%	0.182	C	C	.	.	S	Bend	trans	-142.8	156.7	-165.9	-67.7	0	0	0	0	110.7	E107 W145 T152	E107-T150 HydrophobicContact CG-CG2 3.8Å; E107-T150 VanDerWaalsContact OE1-CB 3.27Å; E107-T150 WeakPolarHBondContact OE1-CB 3.37Å; E107-T150 WeakPolarHBondContact OE1-CG2 3.34Å; E107-T150 PolarHBondContact OE1-OG1 3.42Å; W145-T150 WeakPolarHBondContact CA-O 3.48Å; T150-T152 PolarHBondContact O-N 2.96Å
151	M	80.5	Confident	86.5	Confident	5 Å²	5	32.3 Å²	32.3	3%	0.025	19%	0.188	C	C	.	.			trans	57.5	27.6	-176.3	-63.8	-57.2	168.1	0	0	115	V106 F110 L141 H153 F154	V106-M151 HydrophobicContact CG1-CE 4.28Å; V106-M151 WeakPolarHBondContact O-CE 3.21Å; F110-M151 HydrophobicContact CD2-CE 3.62Å; F110-M151 HydrophobicContact CD2-SD 3.85Å; F110-M151 HydrophobicContact CE2-CE 3.95Å; F110-M151 HydrophobicContact CE2-SD 4.3Å; L141-M151 HydrophobicContact CD1-CE 4.45Å; L141-M151 HydrophobicContact CD2-CG 4.05Å; L141-M151 HydrophobicContact CG-CG 4.33Å; M151-H153 PolarHBondContact O-N 2.91Å; M151-H153 VanDerWaalsContact O-N 3.08Å; M151-F154 HydrophobicContact CB-CD2 4.37Å; M151-F154 PolarHBondContact O-N 3.15Å; M151-F154 HydrophobicContact SD-CD2 4.34Å; M151-F154 HydrophobicContact SD-CE2 4.31Å
152	T	80.9	Confident	86.1	Confident	104 Å²	104	32.2 Å²	32.2	64%	0.638	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-14	-174.8	52.6	0	0	0	0	115	G148 T150	G148-T152 VanDerWaalsContact O-CG2 3.27Å; G148-T152 WeakPolarHBondContact O-CG2 3.36Å; T150-T152 PolarHBondContact O-N 2.96Å
153	H	83.4	Confident	85.5	Confident	102 Å²	102	35.5 Å²	35.5	47%	0.472	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.4	172.6	54.4	-98.6	0	0	0	113.2	M151	M151-H153 PolarHBondContact O-N 2.91Å; M151-H153 VanDerWaalsContact O-N 3.08Å
154	F	88.6	Confident	85.1	Confident	10 Å²	10	38.7 Å²	38.7	4%	0.044	22%	0.22	C	C	.	.			trans	-86.2	117.8	173.3	-66.6	-61.1	0	0	0	110.8	F110 W145 M151 L156 D200 L202 S249	F110-F154 HydrophobicContact CD1-CE2 4.12Å; F110-F154 AromaticContact CD1-CZ 3.96Å; F110-F154 HydrophobicContact CD1-CZ 3.96Å; F110-F154 HydrophobicContact CD2-CE2 4.21Å; F110-F154 HydrophobicContact CE1-CE2 4.39Å; F110-F154 HydrophobicContact CE1-CZ 4.28Å; F110-F154 HydrophobicContact CE2-CE2 4.45Å; F110-F154 HydrophobicContact CG-CE2 4.03Å; F110-F154 HydrophobicContact CG-CZ 4.25Å; W145-F154 PolarHBondContact NE1-O 2.96Å; M151-F154 HydrophobicContact CB-CD2 4.37Å; M151-F154 PolarHBondContact O-N 3.15Å; M151-F154 HydrophobicContact SD-CD2 4.34Å; M151-F154 HydrophobicContact SD-CE2 4.31Å; F154-L156 VanDerWaalsContact C-N 3.33Å; F154-D200 CarbonylContact C-O 3.6Å; F154-D200 WeakPolarHBondContact CA-O 3.4Å; F154-L202 HydrophobicContact CB-CB 4.16Å; F154-L202 HydrophobicContact CD1-CB 3.91Å; F154-L202 HydrophobicContact CD2-CB 3.71Å; F154-L202 HydrophobicContact CD2-CD2 3.64Å; F154-L202 HydrophobicContact CD2-CG 4.24Å; F154-L202 HydrophobicContact CE1-CB 4.23Å; F154-L202 HydrophobicContact CE2-CB 4.01Å; F154-L202 HydrophobicContact CE2-CD1 4.43Å; F154-L202 HydrophobicContact CE2-CD2 3.78Å; F154-L202 HydrophobicContact CE2-CG 4.29Å; F154-L202 HydrophobicContact CG-CB 3.65Å; F154-L202 HydrophobicContact CG-CD2 4.41Å; F154-L202 HydrophobicContact CZ-CB 4.27Å; F154-S249 VanDerWaalsContact CZ-CB 3.45Å
155	K	88.1	Confident	84.8	Confident	119 Å²	119	38 Å²	38	52%	0.517	22%	0.216	S	C	.	.	S	Bend	trans	-76.1	-22.4	177.2	-59	174	-169	143	0	112.3	V42 L190 D200	V42-K155 VanDerWaalsContact CG1-O 3.22Å; V42-K155 WeakPolarHBondContact CG1-O 3.42Å; K155-L190 HydrophobicContact CB-CD1 4.26Å; K155-D200 HydrophobicContact CB-CB 4.02Å; K155-D200 HydrophobicContact CD-CB 3.93Å; K155-D200 WeakPolarHBondContact CD-OD2 3.22Å; K155-D200 WeakPolarHBondContact CE-OD1 3.49Å; K155-D200 HydrophobicContact CG-CB 4.01Å; K155-D200 PolarHBondContact N-O 2.9Å; K155-D200 IonicContact NZ-OD1 3.53Å; K155-D200 PolarHBondContact NZ-OD1 3.08Å; K155-D200 IonicContact NZ-OD2 2.65Å; K155-D200 PolarHBondContact NZ-OD2 2.77Å
156	L	91.6	Very high	84.1	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	120.7	179.9	-178.1	61.1	0	0	0	112.1	F154 L158 L185 L190 L191 D200 V201 L202	F154-L156 VanDerWaalsContact C-N 3.33Å; L156-L158 HydrophobicContact CD1-CD2 4.06Å; L156-L158 HydrophobicContact CD2-CD1 4.3Å; L156-L158 HydrophobicContact CD2-CD2 4.34Å; L156-L158 HydrophobicContact CD2-CG 4.44Å; L156-L158 HydrophobicContact CG-CD1 4.44Å; L156-L158 HydrophobicContact CG-CD2 4.08Å; L156-L158 HydrophobicContact CG-CG 4.1Å; L156-L185 HydrophobicContact CD1-CD1 3.82Å; L156-L185 HydrophobicContact CD1-CD2 4.25Å; L156-L190 HydrophobicContact CB-CD1 3.89Å; L156-L190 HydrophobicContact CD2-CD1 4.42Å; L156-L191 HydrophobicContact CD2-CD1 4.27Å; L156-L191 HydrophobicContact CD2-CG 4.36Å; L156-D200 PolarHBondContact N-O 2.83Å; L156-D200 VanDerWaalsContact N-O 3.14Å; L156-V201 HydrophobicContact CB-CG2 4.41Å; L156-V201 WeakPolarHBondContact O-CA 3.4Å; L156-L202 PolarHBondContact O-N 3.3Å
157	L	92.7	Very high	83.5	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.8	179.9	-173.2	166.3	0	0	0	110	L141 V142 W145 P159 L202 L204	L141-L157 HydrophobicContact CD2-CD1 3.67Å; V142-L157 HydrophobicContact CG2-CD2 3.98Å; W145-L157 HydrophobicContact CB-CD1 3.74Å; W145-L157 HydrophobicContact CD2-CB 3.67Å; W145-L157 HydrophobicContact CD2-CD1 3.75Å; W145-L157 HydrophobicContact CD2-CG 4.34Å; W145-L157 HydrophobicContact CE3-CB 3.82Å; W145-L157 HydrophobicContact CE3-CD1 4.15Å; W145-L157 HydrophobicContact CE3-CG 4.49Å; W145-L157 HydrophobicContact CG-CB 4.28Å; W145-L157 HydrophobicContact CG-CD1 3.54Å; W145-L157 HydrophobicContact CH2-CB 4.03Å; W145-L157 HydrophobicContact CZ2-CB 3.87Å; W145-L157 HydrophobicContact CZ3-CB 4Å; L157-P159 HydrophobicContact CD2-CB 4.41Å; L157-P159 HydrophobicContact CD2-CG 4.26Å; L157-P159 WeakPolarHBondContact O-CD 3.47Å; L157-L202 CarbonylContact C-O 3.48Å; L157-L202 WeakPolarHBondContact CA-O 3.36Å; L157-L202 HydrophobicContact CD1-CD2 4.37Å; L157-L202 HydrophobicContact CG-CD2 4.42Å; L157-L204 HydrophobicContact CD1-CD1 4.41Å; L157-L204 HydrophobicContact CD2-CD1 3.61Å; L157-L204 HydrophobicContact CD2-CG 3.96Å; L157-L204 HydrophobicContact CG-CD1 4.25Å; L157-L204 HydrophobicContact CG-CG 4.38Å
158	L	93.5	Very high	83.1	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	95.3	-170.4	-63.5	174.6	0	0	0	112	L156 F160 V178 Y182 L185 L191 V201 L202 F203 L204	L156-L158 HydrophobicContact CD1-CD2 4.06Å; L156-L158 HydrophobicContact CD2-CD1 4.3Å; L156-L158 HydrophobicContact CD2-CD2 4.34Å; L156-L158 HydrophobicContact CD2-CG 4.44Å; L156-L158 HydrophobicContact CG-CD1 4.44Å; L156-L158 HydrophobicContact CG-CD2 4.08Å; L156-L158 HydrophobicContact CG-CG 4.1Å; L158-F160 HydrophobicContact CB-CD2 4.44Å; L158-F160 HydrophobicContact CB-CE2 4.01Å; L158-F160 PolarHBondContact O-N 3.04Å; L158-V178 HydrophobicContact CD1-CG2 4.11Å; L158-V178 HydrophobicContact CD2-CG1 4.2Å; L158-Y182 HydrophobicContact CD2-CD2 4.18Å; L158-Y182 HydrophobicContact CD2-CE2 4.4Å; L158-L185 HydrophobicContact CD2-CD1 3.63Å; L158-L191 HydrophobicContact CD1-CD1 4.23Å; L158-L191 HydrophobicContact CD1-CD2 4.01Å; L158-V201 HydrophobicContact CD1-CG1 3.94Å; L158-L202 PolarHBondContact N-O 2.85Å; L158-F203 HydrophobicContact CB-CD1 4.03Å; L158-F203 HydrophobicContact CB-CE1 4.34Å; L158-F203 HydrophobicContact CD1-CD1 4.03Å; L158-F203 HydrophobicContact CD1-CE1 3.52Å; L158-F203 HydrophobicContact CD1-CZ 3.86Å; L158-L204 PolarHBondContact O-N 3.19Å
159	P	91.6	Very high	82.5	Confident	7 Å²	7	50.4 Å²	50.4	5%	0.045	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	110.2	-175.8	30.5	-29.8	0	0	0	114.1	L49 F53 V142 L157 K181 Y182 L204	L49-P159 HydrophobicContact CD1-CG 4.12Å; L49-P159 HydrophobicContact CD2-CG 3.64Å; F53-P159 HydrophobicContact CE2-CG 4.25Å; F53-P159 HydrophobicContact CZ-CB 4.13Å; F53-P159 HydrophobicContact CZ-CG 4.14Å; V142-P159 HydrophobicContact CG2-CB 4.12Å; V142-P159 HydrophobicContact CG2-CG 4.31Å; L157-P159 HydrophobicContact CD2-CB 4.41Å; L157-P159 HydrophobicContact CD2-CG 4.26Å; L157-P159 WeakPolarHBondContact O-CD 3.47Å; P159-K181 PolarHBondContact O-NZ 2.96Å; P159-Y182 WeakPolarHBondContact CD-OH 3.39Å; P159-Y182 WeakPolarHBondContact CG-OH 3.28Å; P159-Y182 PolarHBondContact O-OH 2.72Å; P159-L204 HydrophobicContact CB-CB 4.46Å; P159-L204 HydrophobicContact CB-CD1 4.43Å
160	F	89.1	Confident	82.5	Confident	7 Å²	7	53 Å²	53	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.1	175.9	-71.5	-80.4	0	0	0	113.1	L158 L165 L177 V178 K181 Y182 F203 L204 F205 N206	L158-F160 HydrophobicContact CB-CD2 4.44Å; L158-F160 HydrophobicContact CB-CE2 4.01Å; L158-F160 PolarHBondContact O-N 3.04Å; F160-L165 HydrophobicContact CB-CD1 3.8Å; F160-L165 HydrophobicContact CB-CG 4.46Å; F160-L165 HydrophobicContact CD1-CD1 4.28Å; F160-L165 HydrophobicContact CD1-CD2 3.96Å; F160-L165 HydrophobicContact CD1-CG 4.37Å; F160-L165 HydrophobicContact CE1-CD2 4.47Å; F160-L165 HydrophobicContact CG-CD1 4.22Å; F160-L177 HydrophobicContact CE1-CG 4.27Å; F160-V178 HydrophobicContact CE2-CG2 4.3Å; F160-V178 HydrophobicContact CZ-CG2 4Å; F160-K181 HydrophobicContact CD1-CD 3.94Å; F160-K181 HydrophobicContact CE1-CB 4.29Å; F160-K181 HydrophobicContact CE1-CD 3.86Å; F160-Y182 HydrophobicContact CZ-CE2 4.39Å; F160-F203 HydrophobicContact CD2-CD1 4.38Å; F160-F203 HydrophobicContact CE2-CD1 4.2Å; F160-F203 HydrophobicContact CE2-CE1 4.39Å; F160-L204 PolarHBondContact N-O 2.83Å; F160-L204 VanDerWaalsContact O-O 3.14Å; F160-F205 HydrophobicContact CB-CD1 3.74Å; F160-F205 HydrophobicContact CB-CE1 3.87Å; F160-F205 HydrophobicContact CD2-CE1 4.08Å; F160-F205 HydrophobicContact CG-CE1 4.19Å; F160-F205 WeakPolarHBondContact O-CA 3.35Å; F160-N206 PolarHBondContact O-N 2.91Å
161	T	82.2	Confident	82.9	Confident	47 Å²	47	54.6 Å²	54.6	29%	0.288	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120.5	170.6	13.4	0	0	0	0	107.7	E163 D164 L165 K181	T161-E163 PolarHBondContact O-N 3.05Å; T161-D164 WeakPolarHBondContact CB-OD1 3.47Å; T161-D164 PolarHBondContact O-N 3.09Å; T161-D164 PolarHBondContact OG1-OD1 2.88Å; T161-D164 PolarHBondContact OG1-OD2 2.96Å; T161-L165 PolarHBondContact O-N 3.39Å; T161-K181 PolarHBondContact OG1-NZ 3.4Å; T161-K181 VanDerWaalsContact OG1-NZ 3.14Å
162	C	79.7	Confident	83.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.5	-22.7	-178.3	-68	0	0	0	0	112.4	S166 N206 G207 M208 K210 M211	C162-S166 WeakPolarHBondContact O-CB 3.5Å; C162-S166 PolarHBondContact O-N 3.3Å; C162-N206 VanDerWaalsContact CB-O 3.29Å; C162-N206 WeakPolarHBondContact CB-O 3.27Å; C162-N206 PolarHBondContact N-O 3.29Å; C162-N206 PolarHBondContact SG-O 2.96Å; C162-G207 VanDerWaalsContact CB-O 3.23Å; C162-G207 WeakPolarHBondContact CB-O 3.23Å; C162-M208 VanDerWaalsContact SG-SD 3.67Å; C162-K210 HydrophobicContact CB-CB 4.32Å; C162-M211 HydrophobicContact CB-CG 3.95Å
163	E	74.3	Confident	83.8	Confident	70 Å²	70	49.7 Å²	49.7	33%	0.327	26%	0.26	S	S	.	.	H	α-helix	trans	-52.2	-65.4	166.8	-154.1	85.7	-118.4	0	0	111.1	T161 L165 S166 Q167 K210	T161-E163 PolarHBondContact O-N 3.05Å; E163-L165 PolarHBondContact O-N 3.33Å; E163-S166 PolarHBondContact O-N 2.94Å; E163-S166 VanDerWaalsContact O-N 3.09Å; E163-S166 PolarHBondContact O-OG 3.06Å; E163-Q167 PolarHBondContact O-N 2.93Å; E163-K210 WeakPolarHBondContact OE1-CD 3.29Å; E163-K210 IonicContact OE1-NZ 2.78Å; E163-K210 PolarHBondContact OE1-NZ 3.39Å; E163-K210 VanDerWaalsContact OE2-CE 3.32Å; E163-K210 WeakPolarHBondContact OE2-CE 3.34Å; E163-K210 IonicContact OE2-NZ 3.5Å; E163-K210 PolarHBondContact OE2-NZ 2.81Å
164	D	78.6	Confident	84.1	Confident	68 Å²	68	45 Å²	45	36%	0.364	24%	0.239	S	C	.	.	H	α-helix	trans	-54.7	-40	179.8	-35.3	4.9	0	0	0	111.5	T161 Q167 K181	T161-D164 WeakPolarHBondContact CB-OD1 3.47Å; T161-D164 PolarHBondContact O-N 3.09Å; T161-D164 PolarHBondContact OG1-OD1 2.88Å; T161-D164 PolarHBondContact OG1-OD2 2.96Å; D164-Q167 PolarHBondContact O-N 2.79Å; D164-K181 IonicContact OD2-NZ 2.72Å; D164-K181 PolarHBondContact OD2-NZ 2.93Å; D164-K181 VanDerWaalsContact OD2-NZ 3.12Å
165	L	79.9	Confident	84.1	Confident	5 Å²	5	46 Å²	46	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-70.2	-33.7	-177.8	-66.3	-177.2	0	0	0	112.6	F160 T161 E163 Q167 L168 L177 F205 M211 I236	F160-L165 HydrophobicContact CB-CD1 3.8Å; F160-L165 HydrophobicContact CB-CG 4.46Å; F160-L165 HydrophobicContact CD1-CD1 4.28Å; F160-L165 HydrophobicContact CD1-CD2 3.96Å; F160-L165 HydrophobicContact CD1-CG 4.37Å; F160-L165 HydrophobicContact CE1-CD2 4.47Å; F160-L165 HydrophobicContact CG-CD1 4.22Å; T161-L165 PolarHBondContact O-N 3.39Å; E163-L165 PolarHBondContact O-N 3.33Å; L165-Q167 VanDerWaalsContact C-N 3.27Å; L165-Q167 PolarHBondContact O-N 3.02Å; L165-L168 HydrophobicContact CD2-CD1 4.27Å; L165-L168 PolarHBondContact O-N 2.74Å; L165-L177 HydrophobicContact CD2-CD1 3.76Å; L165-L177 HydrophobicContact CD2-CD2 3.97Å; L165-L177 HydrophobicContact CD2-CG 4.23Å; L165-F205 HydrophobicContact CD1-CD1 3.93Å; L165-F205 HydrophobicContact CD1-CE1 3.84Å; L165-M211 HydrophobicContact CB-CE 4.45Å; L165-M211 HydrophobicContact CB-SD 4.08Å; L165-I236 HydrophobicContact CD1-CD1 4.06Å
166	S	76.7	Confident	84	Confident	54 Å²	54	42.8 Å²	42.8	38%	0.378	23%	0.231	S	C	.	.	H	α-helix	trans	-68.3	-26.3	176.7	73.8	0	0	0	0	113	C162 E163 L168	C162-S166 WeakPolarHBondContact O-CB 3.5Å; C162-S166 PolarHBondContact O-N 3.3Å; E163-S166 PolarHBondContact O-N 2.94Å; E163-S166 VanDerWaalsContact O-N 3.09Å; E163-S166 PolarHBondContact O-OG 3.06Å; S166-L168 VanDerWaalsContact C-N 3.33Å
167	Q	74.9	Confident	83.9	Confident	141 Å²	141	43.4 Å²	43.4	66%	0.659	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.5	178.5	-61.3	176.4	12.5	0	0	112.9	E163 D164 L165 T169	E163-Q167 PolarHBondContact O-N 2.93Å; D164-Q167 PolarHBondContact O-N 2.79Å; L165-Q167 VanDerWaalsContact C-N 3.27Å; L165-Q167 PolarHBondContact O-N 3.02Å; Q167-T169 PolarHBondContact O-N 3.08Å
168	L	77.3	Confident	83.8	Confident	59 Å²	59	43.4 Å²	43.4	31%	0.309	23%	0.234	S	C	.	.			trans	-83.3	79.3	-177.7	-72.1	174.6	0	0	0	111.7	L165 S166 K170 L177 P232	L165-L168 HydrophobicContact CD2-CD1 4.27Å; L165-L168 PolarHBondContact O-N 2.74Å; S166-L168 VanDerWaalsContact C-N 3.33Å; L168-K170 VanDerWaalsContact C-N 3.29Å; L168-K170 PolarHBondContact O-N 3.33Å; L168-L177 HydrophobicContact CD1-CD1 3.61Å; L168-P232 HydrophobicContact CB-CG 3.8Å; L168-P232 WeakPolarHBondContact O-CD 3.44Å; L168-P232 WeakPolarHBondContact O-CG 3.39Å
169	T	68.6	Low	83.4	Confident	134 Å²	134	43.6 Å²	43.6	82%	0.822	24%	0.236	S	C	*	.			trans	-72.4	-12.9	-178.9	56.4	0	0	0	0	115.6	Q167	Q167-T169 PolarHBondContact O-N 3.08Å
170	K	82	Confident	83.1	Confident	161 Å²	161	50.3 Å²	50.3	70%	0.7	26%	0.26	S	S	*	.	S	Bend	trans	-90	145.7	177.9	-67.3	-177.5	179.1	178.9	0	110.5	L168 V172	L168-K170 VanDerWaalsContact C-N 3.29Å; L168-K170 PolarHBondContact O-N 3.33Å; K170-V172 WeakPolarHBondContact O-CG2 3.13Å
171	A	86.1	Confident	82.7	Confident	53 Å²	53	52.8 Å²	52.8	44%	0.438	27%	0.271	S	S	.	.			trans	-60.3	138.8	169.9	0	0	0	0	0	111.7	P229 L230	A171-P229 HydrophobicContact CB-CB 4.27Å; A171-L230 WeakPolarHBondContact CA-O 2.94Å
172	V	89.4	Confident	83	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.018	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-145	146.8	-179	-165	0	0	0	0	108.6	K170 D176 L177 R180 L230	K170-V172 WeakPolarHBondContact O-CG2 3.13Å; V172-D176 HydrophobicContact CG1-CB 3.57Å; V172-L177 HydrophobicContact CG1-CB 4.31Å; V172-R180 VanDerWaalsContact CG2-NH1 3.27Å; V172-L230 PolarHBondContact N-O 3.31Å; V172-L230 PolarHBondContact O-N 3.28Å; V172-L230 VanDerWaalsContact O-O 3.12Å
173	S	90.7	Very high	83.3	Confident	4 Å²	4	57.9 Å²	57.9	3%	0.028	30%	0.295	C	S	.	.			trans	-74.5	158	169.9	69.5	0	0	0	0	111	R175 D176 L177 N227 E228	S173-R175 PolarHBondContact O-N 3.49Å; S173-D176 PolarHBondContact O-N 3.34Å; S173-D176 VanDerWaalsContact OG-CB 3.24Å; S173-D176 WeakPolarHBondContact OG-CB 3.35Å; S173-D176 PolarHBondContact OG-N 3.29Å; S173-D176 PolarHBondContact OG-OD2 2.69Å; S173-L177 WeakPolarHBondContact O-CB 3.13Å; S173-L177 PolarHBondContact O-N 2.86Å; S173-N227 VanDerWaalsContact CB-C 3.45Å; S173-N227 WeakPolarHBondContact CB-O 3.26Å; S173-E228 WeakPolarHBondContact CA-O 2.73Å
174	L	89.8	Confident	83.9	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-38.2	175.6	-178.4	60	0	0	0	111.2	L177 V178 F203 P226 L239 L244 L245	L174-L177 PolarHBondContact O-N 3.03Å; L174-V178 WeakPolarHBondContact O-CG2 2.9Å; L174-V178 PolarHBondContact O-N 3Å; L174-V178 VanDerWaalsContact O-N 3.08Å; L174-F203 HydrophobicContact CD1-CE1 4.32Å; L174-F203 HydrophobicContact CD1-CZ 4.49Å; L174-F203 HydrophobicContact CD2-CZ 4.43Å; L174-P226 HydrophobicContact CB-CB 4.37Å; L174-P226 PolarHBondContact N-O 3.43Å; L174-P226 VanDerWaalsContact N-O 3.09Å; L174-L239 HydrophobicContact CD1-CD1 4.19Å; L174-L239 HydrophobicContact CD2-CD2 4.07Å; L174-L244 HydrophobicContact CB-CD2 4.4Å; L174-L244 HydrophobicContact CD2-CD2 3.98Å; L174-L244 HydrophobicContact CD2-CG 4.14Å; L174-L245 HydrophobicContact CD2-CD1 3.56Å; L174-L245 HydrophobicContact CD2-CG 4.06Å
175	R	88.6	Confident	84.4	Confident	30 Å²	30	53.4 Å²	53.4	11%	0.113	27%	0.272	C	S	.	.	H	α-helix	trans	-69.6	-38	177.8	-67.9	171	67.5	77	-4.9	112.9	S173 G179 N187 H188 L191 P226 N227	S173-R175 PolarHBondContact O-N 3.49Å; R175-G179 PolarHBondContact O-N 2.7Å; R175-N187 VanDerWaalsContact NH2-C 3.34Å; R175-N187 PolarHBondContact NH2-O 3.2Å; R175-H188 PolarHBondContact NH1-O 3.06Å; R175-L191 VanDerWaalsContact CD-O 3.28Å; R175-L191 WeakPolarHBondContact CD-O 3.39Å; R175-L191 WeakPolarHBondContact CG-O 3.49Å; R175-L191 PolarHBondContact NH1-O 2.9Å; R175-P226 HydrophobicContact CG-CB 4.06Å; R175-P226 PolarHBondContact N-O 3.43Å; R175-N227 VanDerWaalsContact CD-OD1 3.31Å; R175-N227 WeakPolarHBondContact CD-OD1 3.44Å
176	D	87.7	Confident	84.3	Confident	52 Å²	52	57.3 Å²	57.3	28%	0.278	29%	0.288	S	S	.	.	H	α-helix	trans	-72.1	-30.5	171.2	-79.3	-62.9	0	0	0	112.7	V172 S173 G179 R180 K186	V172-D176 HydrophobicContact CG1-CB 3.57Å; S173-D176 PolarHBondContact O-N 3.34Å; S173-D176 VanDerWaalsContact OG-CB 3.24Å; S173-D176 WeakPolarHBondContact OG-CB 3.35Å; S173-D176 PolarHBondContact OG-N 3.29Å; S173-D176 PolarHBondContact OG-OD2 2.69Å; D176-G179 PolarHBondContact O-N 2.72Å; D176-R180 WeakPolarHBondContact O-CB 3.49Å; D176-R180 WeakPolarHBondContact O-CG 3.26Å; D176-R180 PolarHBondContact O-N 2.91Å; D176-K186 WeakPolarHBondContact OD1-CE 3.23Å; D176-K186 IonicContact OD1-NZ 3.75Å; D176-K186 PolarHBondContact OD1-NZ 3.31Å
177	L	89.1	Confident	84.4	Confident	12 Å²	12	60.8 Å²	60.8	6%	0.063	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-49.5	175.5	-174	66.8	0	0	0	110.6	F160 L165 L168 V172 S173 L174 R180 K181 L235	F160-L177 HydrophobicContact CE1-CG 4.27Å; L165-L177 HydrophobicContact CD2-CD1 3.76Å; L165-L177 HydrophobicContact CD2-CD2 3.97Å; L165-L177 HydrophobicContact CD2-CG 4.23Å; L168-L177 HydrophobicContact CD1-CD1 3.61Å; V172-L177 HydrophobicContact CG1-CB 4.31Å; S173-L177 WeakPolarHBondContact O-CB 3.13Å; S173-L177 PolarHBondContact O-N 2.86Å; L174-L177 PolarHBondContact O-N 3.03Å; L177-R180 PolarHBondContact O-N 2.97Å; L177-K181 PolarHBondContact O-N 3.45Å; L177-L235 HydrophobicContact CD2-CD1 4.18Å
178	V	89.3	Confident	84.9	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-47	171.8	175.6	0	0	0	0	110.5	L158 F160 L174 R180 K181 Y182 L185 L191	L158-V178 HydrophobicContact CD1-CG2 4.11Å; L158-V178 HydrophobicContact CD2-CG1 4.2Å; F160-V178 HydrophobicContact CE2-CG2 4.3Å; F160-V178 HydrophobicContact CZ-CG2 4Å; L174-V178 WeakPolarHBondContact O-CG2 2.9Å; L174-V178 PolarHBondContact O-N 3Å; L174-V178 VanDerWaalsContact O-N 3.08Å; V178-R180 VanDerWaalsContact C-N 3.28Å; V178-R180 PolarHBondContact O-N 3.35Å; V178-K181 PolarHBondContact O-N 3.13Å; V178-Y182 HydrophobicContact CG1-CD2 4.34Å; V178-Y182 WeakPolarHBondContact O-CA 3.41Å; V178-Y182 PolarHBondContact O-N 2.84Å; V178-L185 HydrophobicContact CG1-CB 3.91Å; V178-L185 HydrophobicContact CG1-CD1 4.27Å; V178-L191 HydrophobicContact CB-CD1 4.22Å; V178-L191 HydrophobicContact CG1-CD1 3.79Å; V178-L191 HydrophobicContact CG2-CD1 4.12Å
179	G	85.6	Confident	85.1	Confident	4 Å²	4	56 Å²	56	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-65.5	-21.7	-178.4	0	0	0	0	0	115.5	R175 D176 L183	R175-G179 PolarHBondContact O-N 2.7Å; D176-G179 PolarHBondContact O-N 2.72Å; G179-L183 WeakPolarHBondContact O-CA 3.34Å
180	R	84.8	Confident	85.9	Confident	147 Å²	147	50.7 Å²	50.7	56%	0.555	25%	0.252	S	S	*	.	H	α-helix	trans	-77.4	-41.8	172.5	-76.8	169	-167.7	-168.4	9.3	112.2	V172 D176 L177 V178	V172-R180 VanDerWaalsContact CG2-NH1 3.27Å; D176-R180 WeakPolarHBondContact O-CB 3.49Å; D176-R180 WeakPolarHBondContact O-CG 3.26Å; D176-R180 PolarHBondContact O-N 2.91Å; L177-R180 PolarHBondContact O-N 2.97Å; V178-R180 VanDerWaalsContact C-N 3.28Å; V178-R180 PolarHBondContact O-N 3.35Å
181	K	81.8	Confident	86	Confident	60 Å²	60	43.1 Å²	43.1	26%	0.261	22%	0.219	S	C	.	.	H	α-helix	trans	-80.8	-33.3	178.5	-163.3	168.5	-173.1	167.8	0	112.2	P159 F160 T161 D164 L177 V178	P159-K181 PolarHBondContact O-NZ 2.96Å; F160-K181 HydrophobicContact CD1-CD 3.94Å; F160-K181 HydrophobicContact CE1-CB 4.29Å; F160-K181 HydrophobicContact CE1-CD 3.86Å; T161-K181 PolarHBondContact OG1-NZ 3.4Å; T161-K181 VanDerWaalsContact OG1-NZ 3.14Å; D164-K181 IonicContact OD2-NZ 2.72Å; D164-K181 PolarHBondContact OD2-NZ 2.93Å; D164-K181 VanDerWaalsContact OD2-NZ 3.12Å; L177-K181 PolarHBondContact O-N 3.45Å; V178-K181 PolarHBondContact O-N 3.13Å
182	Y	88.9	Confident	85.6	Confident	13 Å²	13	41.9 Å²	41.9	5%	0.051	21%	0.207	C	C	.	.			trans	-132.6	78.8	-175.3	-53.1	-61.7	0	0	0	110.3	H45 L49 L158 P159 F160 V178 H184 L185	H45-Y182 AromaticContact CE1-CD1 3.44Å; H45-Y182 VanDerWaalsContact CE1-CD1 3.44Å; H45-Y182 WeakPolarHBondContact CE1-CD1 3.4Å; H45-Y182 AromaticContact CE1-CE1 3.91Å; H45-Y182 AromaticContact ND1-CD1 3.74Å; H45-Y182 AromaticContact NE2-CD1 2.73Å; H45-Y182 WeakPolarHBondContact NE2-CD1 3.49Å; H45-Y182 AromaticContact NE2-CD2 3.26Å; H45-Y182 VanDerWaalsContact NE2-CD2 3.26Å; H45-Y182 WeakPolarHBondContact NE2-CD2 3.45Å; H45-Y182 AromaticContact NE2-CE1 2.62Å; H45-Y182 WeakPolarHBondContact NE2-CE1 3.34Å; H45-Y182 AromaticContact NE2-CE2 3.18Å; H45-Y182 WeakPolarHBondContact NE2-CE2 3.22Å; H45-Y182 AromaticContact NE2-CG 3.06Å; H45-Y182 AromaticContact NE2-CZ 2.87Å; L49-Y182 HydrophobicContact CD2-CE1 4.1Å; L158-Y182 HydrophobicContact CD2-CD2 4.18Å; L158-Y182 HydrophobicContact CD2-CE2 4.4Å; P159-Y182 WeakPolarHBondContact CD-OH 3.39Å; P159-Y182 WeakPolarHBondContact CG-OH 3.28Å; P159-Y182 PolarHBondContact O-OH 2.72Å; F160-Y182 HydrophobicContact CZ-CE2 4.39Å; V178-Y182 HydrophobicContact CG1-CD2 4.34Å; V178-Y182 WeakPolarHBondContact O-CA 3.41Å; V178-Y182 PolarHBondContact O-N 2.84Å; Y182-H184 PolarHBondContact O-N 3.44Å; Y182-H184 VanDerWaalsContact O-N 3.08Å; Y182-L185 HydrophobicContact CD2-CD1 4.44Å; Y182-L185 HydrophobicContact CG-CD1 4.24Å; Y182-L185 PolarHBondContact O-N 2.68Å
183	L	84.9	Confident	84.6	Confident	140 Å²	140	44 Å²	44	73%	0.733	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-52.6	-34.9	-175.5	-174.8	63.7	0	0	0	113.9	G179 L185 K186	G179-L183 WeakPolarHBondContact O-CA 3.34Å; L183-L185 PolarHBondContact O-N 3.36Å; L183-K186 PolarHBondContact O-N 3.02Å
184	H	87.9	Confident	83.7	Confident	43 Å²	43	48.3 Å²	48.3	20%	0.199	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-69.7	-12.6	177	53.8	-81.3	0	0	0	114.1	P41 I44 H45 K48 Y182	P41-H184 PolarHBondContact O-CD2 3Å; I44-H184 HydrophobicContact CG2-CB 4.25Å; H45-H184 WeakPolarHBondContact CA-NE2 3.33Å; H45-H184 VanDerWaalsContact CB-NE2 3.32Å; H45-H184 WeakPolarHBondContact CB-NE2 3.35Å; H45-H184 AromaticContact CE1-CE1 3.26Å; H45-H184 PolarHBondContact CE1-CE1 3.49Å; H45-H184 AromaticContact CE1-NE2 2.91Å; H45-H184 PolarHBondContact CE1-NE2 3.1Å; H45-H184 AromaticContact CG-NE2 3.53Å; H45-H184 AromaticContact ND1-CE1 3.86Å; H45-H184 AromaticContact ND1-NE2 3.21Å; H45-H184 PolarHBondContact ND1-NE2 3.07Å; K48-H184 PolarHBondContact NZ-ND1 3.34Å; Y182-H184 PolarHBondContact O-N 3.44Å; Y182-H184 VanDerWaalsContact O-N 3.08Å
185	L	88.3	Confident	82.4	Confident	1 Å²	1	58 Å²	58	1%	0.005	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-105.2	-0.5	178.2	-59.6	-178.5	0	0	0	114.2	P41 H45 L156 L158 V178 Y182 L183 N187 H188	P41-L185 HydrophobicContact CB-CD2 4.24Å; H45-L185 HydrophobicContact CB-CD2 4.47Å; L156-L185 HydrophobicContact CD1-CD1 3.82Å; L156-L185 HydrophobicContact CD1-CD2 4.25Å; L158-L185 HydrophobicContact CD2-CD1 3.63Å; V178-L185 HydrophobicContact CG1-CB 3.91Å; V178-L185 HydrophobicContact CG1-CD1 4.27Å; Y182-L185 HydrophobicContact CD2-CD1 4.44Å; Y182-L185 HydrophobicContact CG-CD1 4.24Å; Y182-L185 PolarHBondContact O-N 2.68Å; L183-L185 PolarHBondContact O-N 3.36Å; L185-N187 PolarHBondContact O-N 3.48Å; L185-H188 WeakPolarHBondContact O-CB 3.37Å; L185-H188 PolarHBondContact O-N 3.42Å
186	K	77.3	Confident	81.3	Confident	87 Å²	87	61.6 Å²	61.6	38%	0.378	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-33.6	-168.3	179.4	165.7	-177.6	163.7	0	114.9	D176 L183	D176-K186 WeakPolarHBondContact OD1-CE 3.23Å; D176-K186 IonicContact OD1-NZ 3.75Å; D176-K186 PolarHBondContact OD1-NZ 3.31Å; L183-K186 PolarHBondContact O-N 3.02Å
187	N	78.7	Confident	80.7	Confident	127 Å²	127	62.4 Å²	62.4	68%	0.679	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	17.7	-179.2	-77.3	-19	0	0	0	114.6	R175 L185	R175-N187 VanDerWaalsContact NH2-C 3.34Å; R175-N187 PolarHBondContact NH2-O 3.2Å; L185-N187 PolarHBondContact O-N 3.48Å
188	H	85.8	Confident	80.4	Confident	23 Å²	23	62 Å²	62	11%	0.106	31%	0.31	C	S	.	.			trans	-57	138.6	-171	-153.2	-106.2	0	0	0	113.4	R175 L185 L190 L191	R175-H188 PolarHBondContact NH1-O 3.06Å; L185-H188 WeakPolarHBondContact O-CB 3.37Å; L185-H188 PolarHBondContact O-N 3.42Å; H188-L190 PolarHBondContact O-N 3.33Å; H188-L191 HydrophobicContact CB-CD1 4.32Å; H188-L191 PolarHBondContact O-N 3.2Å
189	P	82.8	Confident	80.2	Confident	78 Å²	78	67.2 Å²	67.2	51%	0.506	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-69.5	-30.1	-176.1	25.8	-34.7	0	0	0	113.7	L191 S192	P189-L191 PolarHBondContact O-N 2.66Å; P189-S192 PolarHBondContact O-N 2.8Å; P189-S192 PolarHBondContact O-OG 3.35Å
190	L	84.2	Confident	80.3	Confident	21 Å²	21	68.2 Å²	68.2	11%	0.11	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-64.6	-4.7	175	-51.4	178.5	0	0	0	113.7	K155 L156 H188 H197 D200 V201	K155-L190 HydrophobicContact CB-CD1 4.26Å; L156-L190 HydrophobicContact CB-CD1 3.89Å; L156-L190 HydrophobicContact CD2-CD1 4.42Å; H188-L190 PolarHBondContact O-N 3.33Å; L190-H197 HydrophobicContact CD2-CB 4.14Å; L190-H197 WeakPolarHBondContact CD2-O 3.49Å; L190-D200 HydrophobicContact CD1-CB 4.36Å; L190-V201 HydrophobicContact CB-CG2 3.64Å; L190-V201 HydrophobicContact CD1-CG2 4.29Å
191	L	84	Confident	80.6	Confident	3 Å²	3	61.2 Å²	61.2	2%	0.016	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-121	17.2	-177.9	-61.6	173.7	0	0	0	112.3	L156 L158 R175 V178 H188 P189 V201 F203 L245	L156-L191 HydrophobicContact CD2-CD1 4.27Å; L156-L191 HydrophobicContact CD2-CG 4.36Å; L158-L191 HydrophobicContact CD1-CD1 4.23Å; L158-L191 HydrophobicContact CD1-CD2 4.01Å; R175-L191 VanDerWaalsContact CD-O 3.28Å; R175-L191 WeakPolarHBondContact CD-O 3.39Å; R175-L191 WeakPolarHBondContact CG-O 3.49Å; R175-L191 PolarHBondContact NH1-O 2.9Å; V178-L191 HydrophobicContact CB-CD1 4.22Å; V178-L191 HydrophobicContact CG1-CD1 3.79Å; V178-L191 HydrophobicContact CG2-CD1 4.12Å; H188-L191 HydrophobicContact CB-CD1 4.32Å; H188-L191 PolarHBondContact O-N 3.2Å; P189-L191 PolarHBondContact O-N 2.66Å; L191-V201 HydrophobicContact CD2-CG1 4.2Å; L191-F203 HydrophobicContact CD2-CZ 3.94Å; L191-L245 HydrophobicContact CD2-CD1 4.25Å
192	S	78.4	Confident	81.2	Confident	27 Å²	27	58.4 Å²	58.4	19%	0.189	30%	0.299	C	S	.	.	S	Bend	trans	-86.9	-25.3	178.9	69.9	0	0	0	0	113.6	P189 D194	P189-S192 PolarHBondContact O-N 2.8Å; P189-S192 PolarHBondContact O-OG 3.35Å; S192-D194 WeakPolarHBondContact CB-OD2 3.34Å; S192-D194 PolarHBondContact OG-N 3.45Å; S192-D194 PolarHBondContact OG-OD2 3.26Å
193	G	69	Low	81.4	Confident	47 Å²	47	57.8 Å²	57.8	49%	0.485	30%	0.296	S	S	.	.			trans	91.3	3.2	-172.6	0	0	0	0	0	114.2
194	D	70.8	Confident	81.8	Confident	95 Å²	95	51.2 Å²	51.2	51%	0.508	26%	0.262	S	S	.	.			trans	-95.6	147.2	-179.4	-51	-80.3	0	0	0	113.1	S192 D196 H197	S192-D194 WeakPolarHBondContact CB-OD2 3.34Å; S192-D194 PolarHBondContact OG-N 3.45Å; S192-D194 PolarHBondContact OG-OD2 3.26Å; D194-D196 PolarHBondContact O-N 2.82Å; D194-H197 WeakPolarHBondContact O-CB 3.15Å; D194-H197 VanDerWaalsContact O-CG 3.27Å; D194-H197 PolarHBondContact O-N 3.49Å; D194-H197 PolarHBondContact O-ND1 2.84Å
195	R	61.6	Low	82	Confident	208 Å²	208	49.4 Å²	49.4	79%	0.785	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	37.5	160.6	-55.8	179.1	-177.3	-164.2	-0.3	116	H197	R195-H197 PolarHBondContact O-CD2 2.72Å; R195-H197 VanDerWaalsContact O-CD2 3.27Å; R195-H197 PolarHBondContact O-N 3.39Å; R195-H197 VanDerWaalsContact O-N 3.14Å
196	D	66.7	Low	81.8	Confident	104 Å²	104	51.3 Å²	51.3	56%	0.556	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	36.5	176.1	-46.9	-5.5	0	0	0	112.4	D194 K199 E247	D194-D196 PolarHBondContact O-N 2.82Å; D196-K199 WeakPolarHBondContact O-CD 3.44Å; D196-K199 VanDerWaalsContact O-CE 3.27Å; D196-K199 WeakPolarHBondContact O-CE 3.21Å; D196-K199 WeakPolarHBondContact O-CG 3.36Å; D196-K199 PolarHBondContact O-NZ 2.83Å; D196-E247 WeakPolarHBondContact CA-OE2 3.32Å
197	H	75.6	Confident	81.6	Confident	69 Å²	69	47.8 Å²	47.8	32%	0.319	25%	0.252	S	S	.	.			trans	-84.1	-11.3	179.1	-66.3	160	0	0	0	113.3	L190 D194 R195 E247	L190-H197 HydrophobicContact CD2-CB 4.14Å; L190-H197 WeakPolarHBondContact CD2-O 3.49Å; D194-H197 WeakPolarHBondContact O-CB 3.15Å; D194-H197 VanDerWaalsContact O-CG 3.27Å; D194-H197 PolarHBondContact O-N 3.49Å; D194-H197 PolarHBondContact O-ND1 2.84Å; R195-H197 PolarHBondContact O-CD2 2.72Å; R195-H197 VanDerWaalsContact O-CD2 3.27Å; R195-H197 PolarHBondContact O-N 3.39Å; R195-H197 VanDerWaalsContact O-N 3.14Å; H197-E247 PolarHBondContact N-OE2 2.88Å
198	A	82.9	Confident	81.7	Confident	3 Å²	3	42 Å²	42	3%	0.025	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-80.2	-18.8	-175.2	0	0	0	0	0	112.6	D200 V201 L245 E247 A248	A198-D200 PolarHBondContact O-N 2.91Å; A198-D200 VanDerWaalsContact O-N 3.13Å; A198-V201 VanDerWaalsContact O-CB 3.26Å; A198-V201 WeakPolarHBondContact O-CB 3.39Å; A198-V201 WeakPolarHBondContact O-CG2 3.42Å; A198-V201 PolarHBondContact O-N 3.17Å; A198-L245 HydrophobicContact CB-CB 4.28Å; A198-L245 HydrophobicContact CB-CD2 4.26Å; A198-E247 WeakPolarHBondContact CA-OE2 3.36Å; A198-E247 WeakPolarHBondContact CB-OE2 2.99Å; A198-E247 PolarHBondContact N-OE2 3.39Å; A198-A248 HydrophobicContact CB-CB 4.21Å; A198-A248 WeakPolarHBondContact O-CA 3.43Å
199	K	84.1	Confident	81.1	Confident	111 Å²	111	42.3 Å²	42.3	48%	0.483	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-53.8	-29.3	174.9	66.5	-173	171.9	-114.8	0	115	D196 V201 E247	D196-K199 WeakPolarHBondContact O-CD 3.44Å; D196-K199 VanDerWaalsContact O-CE 3.27Å; D196-K199 WeakPolarHBondContact O-CE 3.21Å; D196-K199 WeakPolarHBondContact O-CG 3.36Å; D196-K199 PolarHBondContact O-NZ 2.83Å; K199-V201 PolarHBondContact O-N 2.73Å; K199-E247 WeakPolarHBondContact CA-O 3.32Å; K199-E247 HydrophobicContact CB-CB 3.82Å; K199-E247 PolarHBondContact N-OE2 3.17Å
200	D	87.1	Confident	80.7	Confident	26 Å²	26	40.9 Å²	40.9	14%	0.139	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-80.6	3.9	177.7	-62.5	-47.9	0	0	0	113.1	F154 K155 L156 L190 A198	F154-D200 CarbonylContact C-O 3.6Å; F154-D200 WeakPolarHBondContact CA-O 3.4Å; K155-D200 HydrophobicContact CB-CB 4.02Å; K155-D200 HydrophobicContact CD-CB 3.93Å; K155-D200 WeakPolarHBondContact CD-OD2 3.22Å; K155-D200 WeakPolarHBondContact CE-OD1 3.49Å; K155-D200 HydrophobicContact CG-CB 4.01Å; K155-D200 PolarHBondContact N-O 2.9Å; K155-D200 IonicContact NZ-OD1 3.53Å; K155-D200 PolarHBondContact NZ-OD1 3.08Å; K155-D200 IonicContact NZ-OD2 2.65Å; K155-D200 PolarHBondContact NZ-OD2 2.77Å; L156-D200 PolarHBondContact N-O 2.83Å; L156-D200 VanDerWaalsContact N-O 3.14Å; L190-D200 HydrophobicContact CD1-CB 4.36Å; A198-D200 PolarHBondContact O-N 2.91Å; A198-D200 VanDerWaalsContact O-N 3.13Å
201	V	92.2	Very high	80.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.5	-173.2	-171.6	0	0	0	0	112	L156 L158 L190 L191 A198 K199 F203 S249	L156-V201 HydrophobicContact CB-CG2 4.41Å; L156-V201 WeakPolarHBondContact O-CA 3.4Å; L158-V201 HydrophobicContact CD1-CG1 3.94Å; L190-V201 HydrophobicContact CB-CG2 3.64Å; L190-V201 HydrophobicContact CD1-CG2 4.29Å; L191-V201 HydrophobicContact CD2-CG1 4.2Å; A198-V201 VanDerWaalsContact O-CB 3.26Å; A198-V201 WeakPolarHBondContact O-CB 3.39Å; A198-V201 WeakPolarHBondContact O-CG2 3.42Å; A198-V201 PolarHBondContact O-N 3.17Å; K199-V201 PolarHBondContact O-N 2.73Å; V201-F203 HydrophobicContact CG1-CD2 4.18Å; V201-F203 HydrophobicContact CG1-CE2 3.81Å; V201-F203 HydrophobicContact CG1-CZ 4.26Å; V201-S249 PolarHBondContact O-N 3.11Å
202	L	93.4	Very high	80.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.1	171.8	173.3	56.7	0	0	0	111.2	F110 F154 L156 L157 L158 L204 S249 L251	F110-L202 HydrophobicContact CE1-CD1 3.93Å; F110-L202 HydrophobicContact CE2-CD1 4.29Å; F110-L202 HydrophobicContact CE2-CD2 4.22Å; F110-L202 HydrophobicContact CZ-CD1 3.47Å; F110-L202 VanDerWaalsContact CZ-CD1 3.47Å; F110-L202 HydrophobicContact CZ-CD2 4.2Å; F154-L202 HydrophobicContact CB-CB 4.16Å; F154-L202 HydrophobicContact CD1-CB 3.91Å; F154-L202 HydrophobicContact CD2-CB 3.71Å; F154-L202 HydrophobicContact CD2-CD2 3.64Å; F154-L202 HydrophobicContact CD2-CG 4.24Å; F154-L202 HydrophobicContact CE1-CB 4.23Å; F154-L202 HydrophobicContact CE2-CB 4.01Å; F154-L202 HydrophobicContact CE2-CD1 4.43Å; F154-L202 HydrophobicContact CE2-CD2 3.78Å; F154-L202 HydrophobicContact CE2-CG 4.29Å; F154-L202 HydrophobicContact CG-CB 3.65Å; F154-L202 HydrophobicContact CG-CD2 4.41Å; F154-L202 HydrophobicContact CZ-CB 4.27Å; L156-L202 PolarHBondContact O-N 3.3Å; L157-L202 CarbonylContact C-O 3.48Å; L157-L202 WeakPolarHBondContact CA-O 3.36Å; L157-L202 HydrophobicContact CD1-CD2 4.37Å; L157-L202 HydrophobicContact CG-CD2 4.42Å; L158-L202 PolarHBondContact N-O 2.85Å; L202-L204 HydrophobicContact CD1-CD2 3.91Å; L202-L204 HydrophobicContact CD2-CD2 3.78Å; L202-L204 HydrophobicContact CG-CD2 3.67Å; L202-L204 HydrophobicContact CG-CG 4.46Å; L202-S249 WeakPolarHBondContact CA-O 3.49Å; L202-L251 HydrophobicContact CD1-CB 4.39Å
203	F	94.6	Very high	80.2	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.3	167.4	-67.7	-90.2	0	0	0	110.5	L158 F160 L174 L191 V201 F205 L245 A248 S249 I250 L251	L158-F203 HydrophobicContact CB-CD1 4.03Å; L158-F203 HydrophobicContact CB-CE1 4.34Å; L158-F203 HydrophobicContact CD1-CD1 4.03Å; L158-F203 HydrophobicContact CD1-CE1 3.52Å; L158-F203 HydrophobicContact CD1-CZ 3.86Å; F160-F203 HydrophobicContact CD2-CD1 4.38Å; F160-F203 HydrophobicContact CE2-CD1 4.2Å; F160-F203 HydrophobicContact CE2-CE1 4.39Å; L174-F203 HydrophobicContact CD1-CE1 4.32Å; L174-F203 HydrophobicContact CD1-CZ 4.49Å; L174-F203 HydrophobicContact CD2-CZ 4.43Å; L191-F203 HydrophobicContact CD2-CZ 3.94Å; V201-F203 HydrophobicContact CG1-CD2 4.18Å; V201-F203 HydrophobicContact CG1-CE2 3.81Å; V201-F203 HydrophobicContact CG1-CZ 4.26Å; F203-F205 HydrophobicContact CB-CD2 4.32Å; F203-F205 HydrophobicContact CB-CE2 3.71Å; F203-F205 HydrophobicContact CB-CZ 4.1Å; F203-F205 HydrophobicContact CD1-CZ 4.16Å; F203-F205 HydrophobicContact CG-CE2 4.35Å; F203-F205 HydrophobicContact CG-CZ 4.38Å; F203-L245 HydrophobicContact CE2-CD1 4.2Å; F203-L245 HydrophobicContact CZ-CD1 4.22Å; F203-A248 HydrophobicContact CD2-CB 4.11Å; F203-A248 HydrophobicContact CE2-CB 3.88Å; F203-S249 PolarHBondContact N-O 3.3Å; F203-I250 HydrophobicContact CB-CG1 4.46Å; F203-I250 HydrophobicContact CB-CG2 4.47Å; F203-I250 WeakPolarHBondContact O-CA 3.45Å; F203-L251 PolarHBondContact O-N 2.72Å
204	L	93.2	Very high	80.6	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.5	170	-49.6	-176	0	0	0	109.2	V138 L141 V142 L157 L158 P159 F160 L202 L251	V138-L204 HydrophobicContact CG1-CD1 4.17Å; L141-L204 HydrophobicContact CD2-CD1 4.16Å; V142-L204 HydrophobicContact CG2-CD1 3.79Å; L157-L204 HydrophobicContact CD1-CD1 4.41Å; L157-L204 HydrophobicContact CD2-CD1 3.61Å; L157-L204 HydrophobicContact CD2-CG 3.96Å; L157-L204 HydrophobicContact CG-CD1 4.25Å; L157-L204 HydrophobicContact CG-CG 4.38Å; L158-L204 PolarHBondContact O-N 3.19Å; P159-L204 HydrophobicContact CB-CB 4.46Å; P159-L204 HydrophobicContact CB-CD1 4.43Å; F160-L204 PolarHBondContact N-O 2.83Å; F160-L204 VanDerWaalsContact O-O 3.14Å; L202-L204 HydrophobicContact CD1-CD2 3.91Å; L202-L204 HydrophobicContact CD2-CD2 3.78Å; L202-L204 HydrophobicContact CG-CD2 3.67Å; L202-L204 HydrophobicContact CG-CG 4.46Å; L204-L251 WeakPolarHBondContact CA-O 3.32Å; L204-L251 HydrophobicContact CD2-CB 3.73Å; L204-L251 HydrophobicContact CD2-CD2 4.06Å; L204-L251 HydrophobicContact CD2-CG 4.28Å
205	F	92.3	Very high	80.8	Confident	6 Å²	6	43.7 Å²	43.7	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	101.6	175.9	-66.6	-68.2	0	0	0	110.4	F160 L165 F203 M208 I236 L239 I250 L251 A253	F160-F205 HydrophobicContact CB-CD1 3.74Å; F160-F205 HydrophobicContact CB-CE1 3.87Å; F160-F205 HydrophobicContact CD2-CE1 4.08Å; F160-F205 HydrophobicContact CG-CE1 4.19Å; F160-F205 WeakPolarHBondContact O-CA 3.35Å; L165-F205 HydrophobicContact CD1-CD1 3.93Å; L165-F205 HydrophobicContact CD1-CE1 3.84Å; F203-F205 HydrophobicContact CB-CD2 4.32Å; F203-F205 HydrophobicContact CB-CE2 3.71Å; F203-F205 HydrophobicContact CB-CZ 4.1Å; F203-F205 HydrophobicContact CD1-CZ 4.16Å; F203-F205 HydrophobicContact CG-CE2 4.35Å; F203-F205 HydrophobicContact CG-CZ 4.38Å; F205-M208 HydrophobicContact CB-CG 4.49Å; F205-M208 HydrophobicContact CB-SD 3.56Å; F205-M208 VanDerWaalsContact CB-SD 3.56Å; F205-M208 HydrophobicContact CG-SD 4.35Å; F205-I236 HydrophobicContact CD1-CD1 4.25Å; F205-I236 HydrophobicContact CE1-CD1 4.2Å; F205-I236 HydrophobicContact CE1-CG1 4.23Å; F205-I236 HydrophobicContact CZ-CG1 4.29Å; F205-L239 HydrophobicContact CE2-CD1 4.46Å; F205-L239 HydrophobicContact CZ-CD1 4.12Å; F205-I250 HydrophobicContact CD2-CG2 3.57Å; F205-I250 HydrophobicContact CE2-CG2 3.82Å; F205-L251 PolarHBondContact N-O 2.84Å; F205-A253 PolarHBondContact O-N 3.05Å
206	N	83.9	Confident	81.3	Confident	41 Å²	41	40.4 Å²	40.4	22%	0.219	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.5	-178	-175.3	36.1	0	0	0	111.7	V138 F160 C162	V138-N206 HydrophobicContact CG1-CB 4.48Å; F160-N206 PolarHBondContact O-N 2.91Å; C162-N206 VanDerWaalsContact CB-O 3.29Å; C162-N206 WeakPolarHBondContact CB-O 3.27Å; C162-N206 PolarHBondContact N-O 3.29Å; C162-N206 PolarHBondContact SG-O 2.96Å
207	G	73.5	Confident	81.1	Confident	12 Å²	12	37.5 Å²	37.5	12%	0.124	18%	0.176	C	C	.	.			trans	88.4	39.6	175.5	0	0	0	0	0	114.6	C162 E209 K210 A253	C162-G207 VanDerWaalsContact CB-O 3.23Å; C162-G207 WeakPolarHBondContact CB-O 3.23Å; G207-E209 PolarHBondContact O-N 3.14Å; G207-K210 WeakPolarHBondContact O-CB 3.39Å; G207-K210 WeakPolarHBondContact O-CG 3.23Å; G207-K210 PolarHBondContact O-N 3.04Å; G207-A253 WeakPolarHBondContact CA-O 3.44Å; G207-A253 PolarHBondContact N-O 2.64Å
208	M	79.3	Confident	80.1	Confident	7 Å²	7	38.6 Å²	38.6	3%	0.034	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-54.1	-22.3	-174.6	-63.9	-74.4	-75.8	0	0	114.2	C162 F205 K210 M211 L213 I236 L240 M252 A253 I262	C162-M208 VanDerWaalsContact SG-SD 3.67Å; F205-M208 HydrophobicContact CB-CG 4.49Å; F205-M208 HydrophobicContact CB-SD 3.56Å; F205-M208 VanDerWaalsContact CB-SD 3.56Å; F205-M208 HydrophobicContact CG-SD 4.35Å; M208-K210 PolarHBondContact O-N 2.89Å; M208-K210 VanDerWaalsContact O-N 3.11Å; M208-M211 PolarHBondContact O-N 3.15Å; M208-L213 HydrophobicContact CE-CD1 3.75Å; M208-I236 HydrophobicContact CE-CG2 4.06Å; M208-L240 HydrophobicContact CE-CD1 4.13Å; M208-M252 HydrophobicContact CE-CG 3.91Å; M208-M252 HydrophobicContact CE-SD 3.87Å; M208-M252 HydrophobicContact CG-CB 3.98Å; M208-M252 HydrophobicContact CG-CG 4.24Å; M208-M252 HydrophobicContact SD-CG 4.15Å; M208-A253 PolarHBondContact N-O 3.32Å; M208-I262 HydrophobicContact CE-CD1 3.8Å
209	E	74.7	Confident	79	Confident	29 Å²	29	41 Å²	41	14%	0.136	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-59.9	-18	174	63.8	-92.8	-156.1	0	0	114.5	G207 T254 R255 A258 R261	G207-E209 PolarHBondContact O-N 3.14Å; E209-T254 PolarHBondContact N-OG1 2.86Å; E209-T254 VanDerWaalsContact OE2-CA 3.26Å; E209-T254 WeakPolarHBondContact OE2-CA 3.36Å; E209-T254 PolarHBondContact OE2-OG1 3.03Å; E209-R255 HydrophobicContact CG-CG 4.24Å; E209-R255 WeakPolarHBondContact OE1-CD 3.5Å; E209-R255 WeakPolarHBondContact OE1-CG 3.26Å; E209-R255 IonicContact OE1-CZ 3.75Å; E209-R255 IonicContact OE1-NE 2.76Å; E209-R255 PolarHBondContact OE1-NE 3.41Å; E209-R255 IonicContact OE1-NH2 3.96Å; E209-R255 PolarHBondContact OE2-N 2.94Å; E209-A258 HydrophobicContact CB-CB 3.57Å; E209-R261 PolarHBondContact O-NH1 3.2Å
210	K	73.3	Confident	78.4	Confident	47 Å²	47	35.9 Å²	35.9	20%	0.204	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-80.5	-21.3	175	-60.6	-72	-179.3	121.7	0	112.9	C162 E163 G207 M208	C162-K210 HydrophobicContact CB-CB 4.32Å; E163-K210 WeakPolarHBondContact OE1-CD 3.29Å; E163-K210 IonicContact OE1-NZ 2.78Å; E163-K210 PolarHBondContact OE1-NZ 3.39Å; E163-K210 VanDerWaalsContact OE2-CE 3.32Å; E163-K210 WeakPolarHBondContact OE2-CE 3.34Å; E163-K210 IonicContact OE2-NZ 3.5Å; E163-K210 PolarHBondContact OE2-NZ 2.81Å; G207-K210 WeakPolarHBondContact O-CB 3.39Å; G207-K210 WeakPolarHBondContact O-CG 3.23Å; G207-K210 PolarHBondContact O-N 3.04Å; M208-K210 PolarHBondContact O-N 2.89Å; M208-K210 VanDerWaalsContact O-N 3.11Å
211	M	75.6	Confident	77.6	Confident	10 Å²	10	41.4 Å²	41.4	5%	0.049	23%	0.225	C	C	.	.	S	Bend	trans	-88.9	134.4	178.5	-70.9	-61.3	-76.8	0	0	111.6	C162 L165 M208 L213 P232 I236	C162-M211 HydrophobicContact CB-CG 3.95Å; L165-M211 HydrophobicContact CB-CE 4.45Å; L165-M211 HydrophobicContact CB-SD 4.08Å; M208-M211 PolarHBondContact O-N 3.15Å; M211-L213 HydrophobicContact CB-CD2 3.95Å; M211-L213 HydrophobicContact CB-CG 4.14Å; M211-L213 PolarHBondContact O-N 2.95Å; M211-P232 HydrophobicContact CE-CB 4.34Å; M211-I236 HydrophobicContact CE-CD1 3.87Å; M211-I236 HydrophobicContact CG-CD1 4.25Å
212	Q	79.3	Confident	76.8	Confident	150 Å²	150	44 Å²	44	70%	0.701	24%	0.239	S	C	*	.			trans	-88.2	96	165	-172.6	173.6	-1.2	0	0	108.6	S233	Q212-S233 WeakPolarHBondContact O-CB 3.44Å
213	L	81.6	Confident	76.1	Confident	28 Å²	28	44.2 Å²	44.2	15%	0.147	24%	0.241	C	C	.	.			trans	-95	134.1	173.7	-54.2	-177.3	0	0	0	109.2	M208 M211 F215 I236 V237 L240	M208-L213 HydrophobicContact CE-CD1 3.75Å; M211-L213 HydrophobicContact CB-CD2 3.95Å; M211-L213 HydrophobicContact CB-CG 4.14Å; M211-L213 PolarHBondContact O-N 2.95Å; L213-F215 HydrophobicContact CB-CD2 4.36Å; L213-F215 HydrophobicContact CB-CE2 3.7Å; L213-F215 HydrophobicContact CB-CZ 4.26Å; L213-F215 HydrophobicContact CD1-CE2 4.12Å; L213-F215 HydrophobicContact CD1-CZ 4.02Å; L213-I236 HydrophobicContact CD1-CG2 4.11Å; L213-I236 HydrophobicContact CD2-CB 4.13Å; L213-I236 HydrophobicContact CD2-CG2 3.98Å; L213-V237 HydrophobicContact CB-CG2 4.07Å; L213-V237 HydrophobicContact CD2-CG2 4.23Å; L213-L240 HydrophobicContact CD1-CD1 4.19Å
214	D	77.6	Confident	75.4	Confident	48 Å²	48	48 Å²	48	26%	0.257	27%	0.267	S	S	.	.			trans	-123.7	115	171.9	-160.3	-32.4	0	0	0	109	R216 S219 S220	D214-R216 VanDerWaalsContact C-N 3.3Å; D214-R216 WeakPolarHBondContact OD1-CB 3.49Å; D214-R216 VanDerWaalsContact OD1-CG 3.32Å; D214-R216 WeakPolarHBondContact OD1-CG 3.42Å; D214-R216 IonicContact OD1-CZ 2.75Å; D214-R216 PolarHBondContact OD1-N 3.07Å; D214-R216 VanDerWaalsContact OD1-N 3.07Å; D214-R216 IonicContact OD1-NE 2.66Å; D214-R216 PolarHBondContact OD1-NE 3.3Å; D214-R216 IonicContact OD1-NH2 3.34Å; D214-R216 IonicContact OD2-CZ 3.86Å; D214-R216 IonicContact OD2-NE 2.94Å; D214-R216 PolarHBondContact OD2-NE 3.07Å; D214-R216 IonicContact OD2-NH2 3.91Å; D214-R216 PolarHBondContact OD2-NH2 2.83Å; D214-S219 PolarHBondContact OD1-OG 3.14Å; D214-S219 PolarHBondContact OD2-OG 3.41Å; D214-S220 VanDerWaalsContact O-CB 3.26Å; D214-S220 WeakPolarHBondContact O-CB 3.44Å; D214-S220 PolarHBondContact O-OG 2.94Å
215	F	75.6	Confident	74.8	Confident	16 Å²	16	51.3 Å²	51.3	7%	0.07	29%	0.285	C	S	.	.			trans	-87.6	-0.3	-176	-69.5	-90.6	0	0	0	112.9	L213 V237 L240 R241 R261 I262 P263 Y266	L213-F215 HydrophobicContact CB-CD2 4.36Å; L213-F215 HydrophobicContact CB-CE2 3.7Å; L213-F215 HydrophobicContact CB-CZ 4.26Å; L213-F215 HydrophobicContact CD1-CE2 4.12Å; L213-F215 HydrophobicContact CD1-CZ 4.02Å; F215-V237 HydrophobicContact CD1-CG1 3.92Å; F215-V237 HydrophobicContact CD1-CG2 4.28Å; F215-V237 HydrophobicContact CE1-CB 4.5Å; F215-V237 HydrophobicContact CE1-CG1 4.18Å; F215-V237 HydrophobicContact CE1-CG2 4.09Å; F215-V237 HydrophobicContact CZ-CG2 4.24Å; F215-L240 HydrophobicContact CE1-CB 4.4Å; F215-L240 HydrophobicContact CE1-CD1 4.37Å; F215-L240 HydrophobicContact CZ-CD1 4.02Å; F215-R241 PolarHBondContact O-NH2 3.08Å; F215-R261 VanDerWaalsContact CE2-O 3.3Å; F215-R261 WeakPolarHBondContact CE2-O 3.49Å; F215-I262 HydrophobicContact CZ-CG2 4.29Å; F215-P263 HydrophobicContact CB-CG 4Å; F215-P263 HydrophobicContact CD1-CG 4.3Å; F215-P263 HydrophobicContact CD2-CG 3.86Å; F215-P263 VanDerWaalsContact CE2-CD 3.42Å; F215-P263 HydrophobicContact CE2-CG 4.42Å; F215-P263 HydrophobicContact CG-CG 3.78Å; F215-Y266 HydrophobicContact CB-CE2 4.27Å; F215-Y266 AromaticContact CD1-CD2 3.53Å; F215-Y266 HydrophobicContact CD1-CD2 3.53Å; F215-Y266 AromaticContact CD1-CE2 3.28Å; F215-Y266 HydrophobicContact CD1-CE2 3.28Å; F215-Y266 AromaticContact CE1-CD2 3.57Å; F215-Y266 HydrophobicContact CE1-CD2 3.57Å; F215-Y266 AromaticContact CE1-CE2 3.85Å; F215-Y266 HydrophobicContact CE1-CE2 3.85Å; F215-Y266 HydrophobicContact CE1-CG 4.39Å; F215-Y266 HydrophobicContact CG-CD2 4.41Å; F215-Y266 HydrophobicContact CG-CE2 4.02Å; F215-Y266 HydrophobicContact CZ-CD2 4.49Å
216	R	70.8	Confident	74.4	Confident	140 Å²	140	51.2 Å²	51.2	53%	0.528	29%	0.285	S	S	.	.			trans	-75.3	129.9	173.9	-57.9	174.1	-63.6	160	2.9	110.5	D214 G218 S219 S220	D214-R216 VanDerWaalsContact C-N 3.3Å; D214-R216 WeakPolarHBondContact OD1-CB 3.49Å; D214-R216 VanDerWaalsContact OD1-CG 3.32Å; D214-R216 WeakPolarHBondContact OD1-CG 3.42Å; D214-R216 IonicContact OD1-CZ 2.75Å; D214-R216 PolarHBondContact OD1-N 3.07Å; D214-R216 VanDerWaalsContact OD1-N 3.07Å; D214-R216 IonicContact OD1-NE 2.66Å; D214-R216 PolarHBondContact OD1-NE 3.3Å; D214-R216 IonicContact OD1-NH2 3.34Å; D214-R216 IonicContact OD2-CZ 3.86Å; D214-R216 IonicContact OD2-NE 2.94Å; D214-R216 PolarHBondContact OD2-NE 3.07Å; D214-R216 IonicContact OD2-NH2 3.91Å; D214-R216 PolarHBondContact OD2-NH2 2.83Å; R216-G218 VanDerWaalsContact C-N 3.29Å; R216-G218 PolarHBondContact O-N 3.49Å; R216-S219 PolarHBondContact O-N 2.87Å; R216-S219 PolarHBondContact O-OG 3.21Å; R216-S220 PolarHBondContact O-N 3.44Å; R216-S220 VanDerWaalsContact O-N 3.09Å; R216-S220 PolarHBondContact O-OG 2.79Å; R216-S220 VanDerWaalsContact O-OG 3.1Å
217	I	63.3	Low	74.5	Confident	42 Å²	42	53.5 Å²	53.5	22%	0.215	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-56.8	-41.6	-174.5	-49.5	156.7	0	0	0	111.8	S219 S220 V566 Q569 V570	I217-S219 PolarHBondContact O-N 3.12Å; I217-S220 CarbonylContact O-C 3.53Å; I217-S220 PolarHBondContact O-N 3.01Å; I217-V566 HydrophobicContact CD1-CB 4.17Å; I217-V566 HydrophobicContact CD1-CG1 3.53Å; I217-V566 VanDerWaalsContact CD1-O 3.27Å; I217-V566 WeakPolarHBondContact CD1-O 3.45Å; I217-V566 HydrophobicContact CG1-CG1 4.01Å; I217-Q569 HydrophobicContact CD1-CB 4.03Å; I217-V570 HydrophobicContact CD1-CG2 3.61Å
218	G	54.1	Low	75.1	Confident	92 Å²	92	57.4 Å²	57.4	95%	0.948	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-66.7	5.9	177.5	0	0	0	0	0	115.6	R216	R216-G218 VanDerWaalsContact C-N 3.29Å; R216-G218 PolarHBondContact O-N 3.49Å
219	S	59.8	Low	75.4	Confident	55 Å²	55	61 Å²	61	39%	0.385	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-136.5	-9.7	174.3	41.8	0	0	0	0	113.9	D214 R216 I217	D214-S219 PolarHBondContact OD1-OG 3.14Å; D214-S219 PolarHBondContact OD2-OG 3.41Å; R216-S219 PolarHBondContact O-N 2.87Å; R216-S219 PolarHBondContact O-OG 3.21Å; I217-S219 PolarHBondContact O-N 3.12Å
220	S	71	Confident	75.9	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.014	33%	0.332	C	S	.	.	S	Bend	trans	-140.2	93.1	176	48.6	0	0	0	0	110.2	D214 R216 I217 R241	D214-S220 VanDerWaalsContact O-CB 3.26Å; D214-S220 WeakPolarHBondContact O-CB 3.44Å; D214-S220 PolarHBondContact O-OG 2.94Å; R216-S220 PolarHBondContact O-N 3.44Å; R216-S220 VanDerWaalsContact O-N 3.09Å; R216-S220 PolarHBondContact O-OG 2.79Å; R216-S220 VanDerWaalsContact O-OG 3.1Å; I217-S220 CarbonylContact O-C 3.53Å; I217-S220 PolarHBondContact O-N 3.01Å; S220-R241 PolarHBondContact O-NH1 2.99Å; S220-R241 PolarHBondContact OG-NH1 2.99Å; S220-R241 PolarHBondContact OG-NH2 3.42Å
221	E	71.9	Confident	76.7	Confident	142 Å²	142	60.6 Å²	60.6	66%	0.664	34%	0.34	S	S	*	.			trans	-56.8	150	177.2	-63.6	173.7	164.2	0	0	111.6	N238	E221-N238 PolarHBondContact O-ND2 3.26Å; E221-N238 PolarHBondContact O-OD1 3.11Å
222	L	74.1	Confident	77.3	Confident	54 Å²	54	60.4 Å²	60.4	28%	0.283	34%	0.339	S	S	.	.			trans	-91.7	120.5	-177.7	-70.7	171.4	0	0	0	110.3	N238 Y243 V566	L222-N238 WeakPolarHBondContact CA-OD1 3.45Å; L222-Y243 HydrophobicContact CB-CD1 4.05Å; L222-Y243 HydrophobicContact CB-CE1 3.7Å; L222-Y243 HydrophobicContact CB-CE2 4.39Å; L222-Y243 HydrophobicContact CD2-CD1 4.36Å; L222-Y243 HydrophobicContact CD2-CD2 4.19Å; L222-Y243 HydrophobicContact CD2-CG 4.09Å; L222-V566 HydrophobicContact CD1-CG1 4.34Å
223	C	79.2	Confident	77.6	Confident	6 Å²	6	55.1 Å²	55.1	4%	0.041	32%	0.319	C	S	.	.			trans	-141.8	128.2	-174.8	167.6	0	0	0	0	111.6	E228 L230 N238 Y243	C223-E228 PolarHBondContact SG-OE2 2.97Å; C223-L230 HydrophobicContact CB-CD1 3.34Å; C223-N238 PolarHBondContact N-OD1 2.68Å; C223-Y243 VanDerWaalsContact C-CD1 3.46Å; C223-Y243 WeakPolarHBondContact O-CD1 3.31Å
224	S	78.6	Confident	77.7	Confident	79 Å²	79	54.5 Å²	54.5	55%	0.552	32%	0.316	S	S	*	.			trans	-110.5	-8.2	-176.9	61.3	0	0	0	0	114.6	P226 Y243 L244	S224-P226 WeakPolarHBondContact O-CD 3.48Å; S224-Y243 VanDerWaalsContact CA-O 3.28Å; S224-Y243 WeakPolarHBondContact CA-O 3.29Å; S224-Y243 WeakPolarHBondContact CB-O 3.46Å; S224-L244 WeakPolarHBondContact O-CD1 3.18Å
225	D	81.1	Confident	78.3	Confident	71 Å²	71	52.4 Å²	52.4	38%	0.38	31%	0.305	S	S	.	.			trans	-89.2	117.7	-179	-178.3	0.5	0	0	0	111.5	N227 E228	D225-N227 PolarHBondContact O-N 3.39Å; D225-N227 VanDerWaalsContact OD1-CB 3.3Å; D225-N227 WeakPolarHBondContact OD1-CB 2.62Å; D225-N227 PolarHBondContact OD1-N 3.09Å; D225-N227 PolarHBondContact OD1-ND2 3.33Å; D225-E228 HydrophobicContact CB-CB 4.11Å; D225-E228 PolarHBondContact O-N 3.03Å; D225-E228 VanDerWaalsContact O-N 3.12Å
226	P	85	Confident	79	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.032	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.9	175.2	-22.8	35.8	0	0	0	115.5	L174 R175 S224 L244 L245	L174-P226 HydrophobicContact CB-CB 4.37Å; L174-P226 PolarHBondContact N-O 3.43Å; L174-P226 VanDerWaalsContact N-O 3.09Å; R175-P226 HydrophobicContact CG-CB 4.06Å; R175-P226 PolarHBondContact N-O 3.43Å; S224-P226 WeakPolarHBondContact O-CD 3.48Å; P226-L244 HydrophobicContact CB-CD1 4.39Å; P226-L244 HydrophobicContact CG-CD1 3.92Å; P226-L245 HydrophobicContact CG-CD2 3.78Å; P226-L245 HydrophobicContact CG-CG 4.39Å
227	N	85.1	Confident	79.8	Confident	88 Å²	88	45.2 Å²	45.2	47%	0.471	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-14.5	177.7	-52.6	-86.6	0	0	0	113.2	S173 R175 D225	S173-N227 VanDerWaalsContact CB-C 3.45Å; S173-N227 WeakPolarHBondContact CB-O 3.26Å; R175-N227 VanDerWaalsContact CD-OD1 3.31Å; R175-N227 WeakPolarHBondContact CD-OD1 3.44Å; D225-N227 PolarHBondContact O-N 3.39Å; D225-N227 VanDerWaalsContact OD1-CB 3.3Å; D225-N227 WeakPolarHBondContact OD1-CB 2.62Å; D225-N227 PolarHBondContact OD1-N 3.09Å; D225-N227 PolarHBondContact OD1-ND2 3.33Å
228	E	86.2	Confident	80.8	Confident	95 Å²	95	43.2 Å²	43.2	44%	0.444	27%	0.267	S	S	.	.	S	Bend	trans	-76.3	131.4	-177.4	-173.3	168.2	-163.8	0	0	111.4	S173 C223 D225 L230	S173-E228 WeakPolarHBondContact CA-O 2.73Å; C223-E228 PolarHBondContact SG-OE2 2.97Å; D225-E228 HydrophobicContact CB-CB 4.11Å; D225-E228 PolarHBondContact O-N 3.03Å; D225-E228 VanDerWaalsContact O-N 3.12Å; E228-L230 PolarHBondContact O-N 3.18Å
229	P	86.3	Confident	82.5	Confident	81 Å²	81	39 Å²	39	53%	0.526	22%	0.223	S	C	.	.			trans	-84	114.1	-173.6	31.7	-33.8	0	0	0	112.5	A171	A171-P229 HydrophobicContact CB-CB 4.27Å
230	L	85.7	Confident	83.8	Confident	12 Å²	12	36.4 Å²	36.4	6%	0.063	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-127	161.6	-179.2	-75.7	177.5	0	0	0	113.5	A171 V172 C223 E228 V234 L235	A171-L230 WeakPolarHBondContact CA-O 2.94Å; V172-L230 PolarHBondContact N-O 3.31Å; V172-L230 PolarHBondContact O-N 3.28Å; V172-L230 VanDerWaalsContact O-O 3.12Å; C223-L230 HydrophobicContact CB-CD1 3.34Å; E228-L230 PolarHBondContact O-N 3.18Å; L230-V234 HydrophobicContact CD1-CG1 4.12Å; L230-L235 HydrophobicContact CB-CD2 3.9Å; L230-L235 HydrophobicContact CB-CG 4.02Å; L230-L235 HydrophobicContact CD1-CD2 4.35Å
231	P	88.6	Confident	84.4	Confident	56 Å²	56	36.6 Å²	36.6	36%	0.364	21%	0.205	S	C	.	.			trans	-58.5	139	168.2	-21.1	32.5	0	0	0	111.1	S233 V234 L235	P231-S233 PolarHBondContact O-N 2.91Å; P231-S233 VanDerWaalsContact O-N 3.15Å; P231-V234 HydrophobicContact CB-CB 4.43Å; P231-V234 HydrophobicContact CB-CG2 4.08Å; P231-V234 HydrophobicContact CG-CG2 4.1Å; P231-V234 WeakPolarHBondContact O-CA 3.33Å; P231-V234 PolarHBondContact O-N 3.44Å; P231-L235 PolarHBondContact O-N 3.25Å
232	P	88.3	Confident	84.9	Confident	7 Å²	7	30.6 Å²	30.6	5%	0.045	18%	0.177	C	C	.	.	H	α-helix	trans	-58.2	-30.1	-177.3	-29.3	37	0	0	0	115.3	L168 M211 I236	L168-P232 HydrophobicContact CB-CG 3.8Å; L168-P232 WeakPolarHBondContact O-CD 3.44Å; L168-P232 WeakPolarHBondContact O-CG 3.39Å; M211-P232 HydrophobicContact CE-CB 4.34Å; P232-I236 WeakPolarHBondContact O-CG1 2.99Å; P232-I236 PolarHBondContact O-N 2.79Å
233	S	85.2	Confident	85.2	Confident	39 Å²	39	31.3 Å²	31.3	27%	0.273	18%	0.177	S	C	.	.	H	α-helix	trans	-64.2	-41.6	171.5	48.4	0	0	0	0	112.3	Q212 P231 I236 V237	Q212-S233 WeakPolarHBondContact O-CB 3.44Å; P231-S233 PolarHBondContact O-N 2.91Å; P231-S233 VanDerWaalsContact O-N 3.15Å; S233-I236 PolarHBondContact O-N 3.26Å; S233-V237 WeakPolarHBondContact O-CG2 3.32Å; S233-V237 PolarHBondContact O-N 3.31Å
234	V	85.4	Confident	85.4	Confident	15 Å²	15	31 Å²	31	9%	0.091	18%	0.175	C	C	.	.	H	α-helix	trans	-72.8	-35.3	178.2	-175.7	0	0	0	0	111.1	L230 P231 V237 N238	L230-V234 HydrophobicContact CD1-CG1 4.12Å; P231-V234 HydrophobicContact CB-CB 4.43Å; P231-V234 HydrophobicContact CB-CG2 4.08Å; P231-V234 HydrophobicContact CG-CG2 4.1Å; P231-V234 WeakPolarHBondContact O-CA 3.33Å; P231-V234 PolarHBondContact O-N 3.44Å; V234-V237 PolarHBondContact O-N 2.8Å; V234-N238 PolarHBondContact O-N 2.87Å; V234-N238 PolarHBondContact O-ND2 2.78Å
235	L	88.9	Confident	85.8	Confident	3 Å²	3	27.5 Å²	27.5	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-49	169.4	-73.5	179.7	0	0	0	111.5	L177 L230 P231 N238 L239 L244	L177-L235 HydrophobicContact CD2-CD1 4.18Å; L230-L235 HydrophobicContact CB-CD2 3.9Å; L230-L235 HydrophobicContact CB-CG 4.02Å; L230-L235 HydrophobicContact CD1-CD2 4.35Å; P231-L235 PolarHBondContact O-N 3.25Å; L235-N238 PolarHBondContact O-N 2.88Å; L235-L239 WeakPolarHBondContact O-CG 3.38Å; L235-L239 PolarHBondContact O-N 2.76Å; L235-L244 HydrophobicContact CD2-CD2 3.93Å
236	I	89.8	Confident	86	Confident	4 Å²	4	26.4 Å²	26.4	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-42.7	177.9	-67.4	176.7	0	0	0	110.7	L165 F205 M208 M211 L213 P232 S233 N238 L239 L240	L165-I236 HydrophobicContact CD1-CD1 4.06Å; F205-I236 HydrophobicContact CD1-CD1 4.25Å; F205-I236 HydrophobicContact CE1-CD1 4.2Å; F205-I236 HydrophobicContact CE1-CG1 4.23Å; F205-I236 HydrophobicContact CZ-CG1 4.29Å; M208-I236 HydrophobicContact CE-CG2 4.06Å; M211-I236 HydrophobicContact CE-CD1 3.87Å; M211-I236 HydrophobicContact CG-CD1 4.25Å; L213-I236 HydrophobicContact CD1-CG2 4.11Å; L213-I236 HydrophobicContact CD2-CB 4.13Å; L213-I236 HydrophobicContact CD2-CG2 3.98Å; P232-I236 WeakPolarHBondContact O-CG1 2.99Å; P232-I236 PolarHBondContact O-N 2.79Å; S233-I236 PolarHBondContact O-N 3.26Å; I236-N238 VanDerWaalsContact C-N 3.33Å; I236-N238 PolarHBondContact O-N 2.93Å; I236-L239 PolarHBondContact O-N 3Å; I236-L240 HydrophobicContact CG2-CD1 3.83Å; I236-L240 HydrophobicContact CG2-CG 4.18Å; I236-L240 WeakPolarHBondContact O-CB 3.44Å; I236-L240 VanDerWaalsContact O-CG 3.28Å; I236-L240 WeakPolarHBondContact O-CG 3.4Å; I236-L240 PolarHBondContact O-N 2.9Å
237	V	87.8	Confident	86	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-60.2	-41.2	176.1	169.5	0	0	0	0	111.8	L213 F215 S233 V234 L240 R241	L213-V237 HydrophobicContact CB-CG2 4.07Å; L213-V237 HydrophobicContact CD2-CG2 4.23Å; F215-V237 HydrophobicContact CD1-CG1 3.92Å; F215-V237 HydrophobicContact CD1-CG2 4.28Å; F215-V237 HydrophobicContact CE1-CB 4.5Å; F215-V237 HydrophobicContact CE1-CG1 4.18Å; F215-V237 HydrophobicContact CE1-CG2 4.09Å; F215-V237 HydrophobicContact CZ-CG2 4.24Å; S233-V237 WeakPolarHBondContact O-CG2 3.32Å; S233-V237 PolarHBondContact O-N 3.31Å; V234-V237 PolarHBondContact O-N 2.8Å; V237-L240 PolarHBondContact O-N 2.87Å; V237-R241 HydrophobicContact CG1-CG 4.36Å; V237-R241 VanDerWaalsContact CG1-CZ 3.46Å; V237-R241 WeakPolarHBondContact O-CB 3.45Å; V237-R241 VanDerWaalsContact O-CG 3.31Å; V237-R241 WeakPolarHBondContact O-CG 3.39Å; V237-R241 PolarHBondContact O-N 3.24Å
238	N	85.6	Confident	86.3	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-70.7	-35.6	177.4	-79.5	-79.2	0	0	0	113.4	E221 L222 C223 V234 L235 I236 K242 Y243 L244	E221-N238 PolarHBondContact O-ND2 3.26Å; E221-N238 PolarHBondContact O-OD1 3.11Å; L222-N238 WeakPolarHBondContact CA-OD1 3.45Å; C223-N238 PolarHBondContact N-OD1 2.68Å; V234-N238 PolarHBondContact O-N 2.87Å; V234-N238 PolarHBondContact O-ND2 2.78Å; L235-N238 PolarHBondContact O-N 2.88Å; I236-N238 VanDerWaalsContact C-N 3.33Å; I236-N238 PolarHBondContact O-N 2.93Å; N238-K242 PolarHBondContact O-N 3.08Å; N238-Y243 PolarHBondContact O-N 2.95Å; N238-L244 HydrophobicContact CB-CB 3.91Å; N238-L244 PolarHBondContact O-N 3.38Å; N238-L244 VanDerWaalsContact O-N 3.1Å
239	L	89.1	Confident	86.6	Confident	3 Å²	3	19 Å²	19	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-62.9	-39.5	169.9	-75.1	167.3	0	0	0	111.8	L174 F205 L235 I236 K242 L244 L245 I250	L174-L239 HydrophobicContact CD1-CD1 4.19Å; L174-L239 HydrophobicContact CD2-CD2 4.07Å; F205-L239 HydrophobicContact CE2-CD1 4.46Å; F205-L239 HydrophobicContact CZ-CD1 4.12Å; L235-L239 WeakPolarHBondContact O-CG 3.38Å; L235-L239 PolarHBondContact O-N 2.76Å; I236-L239 PolarHBondContact O-N 3Å; L239-K242 WeakPolarHBondContact O-CD 3.41Å; L239-K242 PolarHBondContact O-N 2.91Å; L239-L244 HydrophobicContact CD2-CB 4.37Å; L239-L244 HydrophobicContact CD2-CD2 4.36Å; L239-L244 HydrophobicContact CD2-CG 4.11Å; L239-L244 HydrophobicContact CG-CD2 4.23Å; L239-L244 HydrophobicContact CG-CG 4.43Å; L239-L245 HydrophobicContact CD2-CB 4.24Å; L239-I250 HydrophobicContact CB-CD1 3.92Å
240	L	87.1	Confident	86.9	Confident	2 Å²	2	15.1 Å²	15.1	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-74.2	-37.1	178.4	-67.4	177.7	0	0	0	112.7	N123 M208 L213 F215 I236 V237 K242 I250 M252 I262	N123-L240 PolarHBondContact ND2-O 3.47Å; M208-L240 HydrophobicContact CE-CD1 4.13Å; L213-L240 HydrophobicContact CD1-CD1 4.19Å; F215-L240 HydrophobicContact CE1-CB 4.4Å; F215-L240 HydrophobicContact CE1-CD1 4.37Å; F215-L240 HydrophobicContact CZ-CD1 4.02Å; I236-L240 HydrophobicContact CG2-CD1 3.83Å; I236-L240 HydrophobicContact CG2-CG 4.18Å; I236-L240 WeakPolarHBondContact O-CB 3.44Å; I236-L240 VanDerWaalsContact O-CG 3.28Å; I236-L240 WeakPolarHBondContact O-CG 3.4Å; I236-L240 PolarHBondContact O-N 2.9Å; V237-L240 PolarHBondContact O-N 2.87Å; L240-K242 PolarHBondContact O-N 3.26Å; L240-I250 HydrophobicContact CD2-CD1 4.2Å; L240-I250 HydrophobicContact CD2-CG2 4.37Å; L240-M252 HydrophobicContact CD1-SD 3.97Å; L240-M252 HydrophobicContact CD2-CE 3.72Å; L240-M252 HydrophobicContact CD2-CG 4.37Å; L240-M252 HydrophobicContact CD2-SD 3.39Å; L240-M252 WeakPolarHBondContact CD2-SD 3.41Å; L240-M252 HydrophobicContact CG-SD 4.35Å; L240-I262 HydrophobicContact CD1-CG2 4.47Å
241	R	82.6	Confident	87.3	Confident	5 Å²	5	14.7 Å²	14.7	2%	0.019	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-9.2	170	-75.7	176.1	177.6	152	1.8	114	F215 S220 V237 Y243 Y266	F215-R241 PolarHBondContact O-NH2 3.08Å; S220-R241 PolarHBondContact O-NH1 2.99Å; S220-R241 PolarHBondContact OG-NH1 2.99Å; S220-R241 PolarHBondContact OG-NH2 3.42Å; V237-R241 HydrophobicContact CG1-CG 4.36Å; V237-R241 VanDerWaalsContact CG1-CZ 3.46Å; V237-R241 WeakPolarHBondContact O-CB 3.45Å; V237-R241 VanDerWaalsContact O-CG 3.31Å; V237-R241 WeakPolarHBondContact O-CG 3.39Å; V237-R241 PolarHBondContact O-N 3.24Å; R241-Y243 PolarHBondContact O-N 3.4Å; R241-Y266 HydrophobicContact CB-CE1 4.32Å; R241-Y266 HydrophobicContact CG-CD1 4.22Å; R241-Y266 HydrophobicContact CG-CE1 3.66Å
242	K	83.9	Confident	87.5	Confident	17 Å²	17	12 Å²	12	7%	0.074	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	26.1	-167.7	-58.4	-52.1	-166.6	-172.6	0	113.9	G121 N123 N238 L239 L240 P246 A248	G121-K242 WeakPolarHBondContact O-CE 3.45Å; G121-K242 PolarHBondContact O-NZ 3.21Å; N123-K242 VanDerWaalsContact OD1-CE 3.23Å; N123-K242 WeakPolarHBondContact OD1-CE 3.28Å; N123-K242 PolarHBondContact OD1-NZ 2.86Å; N238-K242 PolarHBondContact O-N 3.08Å; L239-K242 WeakPolarHBondContact O-CD 3.41Å; L239-K242 PolarHBondContact O-N 2.91Å; L240-K242 PolarHBondContact O-N 3.26Å; K242-P246 HydrophobicContact CB-CB 4.33Å; K242-A248 PolarHBondContact NZ-O 3.41Å
243	Y	79.8	Confident	87.4	Confident	69 Å²	69	11.7 Å²	11.7	27%	0.271	6%	0.063	S	C	.	.	S	Bend	trans	-86.9	-25.6	174.4	-159.2	-91.1	0	0	0	110.9	L222 C223 S224 N238 R241	L222-Y243 HydrophobicContact CB-CD1 4.05Å; L222-Y243 HydrophobicContact CB-CE1 3.7Å; L222-Y243 HydrophobicContact CB-CE2 4.39Å; L222-Y243 HydrophobicContact CD2-CD1 4.36Å; L222-Y243 HydrophobicContact CD2-CD2 4.19Å; L222-Y243 HydrophobicContact CD2-CG 4.09Å; C223-Y243 VanDerWaalsContact C-CD1 3.46Å; C223-Y243 WeakPolarHBondContact O-CD1 3.31Å; S224-Y243 VanDerWaalsContact CA-O 3.28Å; S224-Y243 WeakPolarHBondContact CA-O 3.29Å; S224-Y243 WeakPolarHBondContact CB-O 3.46Å; N238-Y243 PolarHBondContact O-N 2.95Å; R241-Y243 PolarHBondContact O-N 3.4Å
244	L	83.8	Confident	86.9	Confident	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.05	C	C	.	.	S	Bend	trans	-111.7	129.5	167.6	-176.3	58.6	0	0	0	109.5	L174 S224 P226 L235 N238 L239	L174-L244 HydrophobicContact CB-CD2 4.4Å; L174-L244 HydrophobicContact CD2-CD2 3.98Å; L174-L244 HydrophobicContact CD2-CG 4.14Å; S224-L244 WeakPolarHBondContact O-CD1 3.18Å; P226-L244 HydrophobicContact CB-CD1 4.39Å; P226-L244 HydrophobicContact CG-CD1 3.92Å; L235-L244 HydrophobicContact CD2-CD2 3.93Å; N238-L244 HydrophobicContact CB-CB 3.91Å; N238-L244 PolarHBondContact O-N 3.38Å; N238-L244 VanDerWaalsContact O-N 3.1Å; L239-L244 HydrophobicContact CD2-CB 4.37Å; L239-L244 HydrophobicContact CD2-CD2 4.36Å; L239-L244 HydrophobicContact CD2-CG 4.11Å; L239-L244 HydrophobicContact CG-CD2 4.23Å; L239-L244 HydrophobicContact CG-CG 4.43Å
245	L	86.7	Confident	86.2	Confident	4 Å²	4	12 Å²	12	2%	0.021	6%	0.057	C	C	.	.	S	Bend	trans	44.9	68.7	-177.1	-59.7	-172.3	0	0	0	114.5	L174 L191 A198 F203 P226 L239 E247 A248	L174-L245 HydrophobicContact CD2-CD1 3.56Å; L174-L245 HydrophobicContact CD2-CG 4.06Å; L191-L245 HydrophobicContact CD2-CD1 4.25Å; A198-L245 HydrophobicContact CB-CB 4.28Å; A198-L245 HydrophobicContact CB-CD2 4.26Å; F203-L245 HydrophobicContact CE2-CD1 4.2Å; F203-L245 HydrophobicContact CZ-CD1 4.22Å; P226-L245 HydrophobicContact CG-CD2 3.78Å; P226-L245 HydrophobicContact CG-CG 4.39Å; L239-L245 HydrophobicContact CD2-CB 4.24Å; L245-E247 PolarHBondContact O-N 3.27Å; L245-A248 HydrophobicContact CB-CB 3.93Å; L245-A248 WeakPolarHBondContact O-CB 3.27Å; L245-A248 PolarHBondContact O-N 3.29Å; L245-A248 VanDerWaalsContact O-N 3.1Å
246	P	84.4	Confident	85	Confident	48 Å²	48	16.6 Å²	16.6	31%	0.312	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-34.6	-171.7	21.6	-33.2	0	0	0	115.5	R120 G121 K242	R120-P246 WeakPolarHBondContact CA-O 3.45Å; R120-P246 HydrophobicContact CG-CB 4.43Å; G121-P246 PolarHBondContact N-O 3.08Å; G121-P246 VanDerWaalsContact N-O 3.11Å; K242-P246 HydrophobicContact CB-CB 4.33Å
247	E	86.6	Confident	83.4	Confident	22 Å²	22	21.3 Å²	21.3	10%	0.103	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.1	178.1	-7.1	84.1	-104.4	0	0	114.6	G119 G121 D196 H197 A198 K199 L245 S249	G119-E247 WeakPolarHBondContact O-CB 3.38Å; G119-E247 WeakPolarHBondContact O-CG 3.35Å; G121-E247 VanDerWaalsContact CA-O 3.23Å; G121-E247 WeakPolarHBondContact CA-O 3.32Å; D196-E247 WeakPolarHBondContact CA-OE2 3.32Å; H197-E247 PolarHBondContact N-OE2 2.88Å; A198-E247 WeakPolarHBondContact CA-OE2 3.36Å; A198-E247 WeakPolarHBondContact CB-OE2 2.99Å; A198-E247 PolarHBondContact N-OE2 3.39Å; K199-E247 WeakPolarHBondContact CA-O 3.32Å; K199-E247 HydrophobicContact CB-CB 3.82Å; K199-E247 PolarHBondContact N-OE2 3.17Å; L245-E247 PolarHBondContact O-N 3.27Å; E247-S249 PolarHBondContact O-N 3.12Å
248	A	90.4	Very high	82.1	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.			trans	-67	133.9	178.7	0	0	0	0	0	111.1	A198 F203 K242 L245	A198-A248 HydrophobicContact CB-CB 4.21Å; A198-A248 WeakPolarHBondContact O-CA 3.43Å; F203-A248 HydrophobicContact CD2-CB 4.11Å; F203-A248 HydrophobicContact CE2-CB 3.88Å; K242-A248 PolarHBondContact NZ-O 3.41Å; L245-A248 HydrophobicContact CB-CB 3.93Å; L245-A248 WeakPolarHBondContact O-CB 3.27Å; L245-A248 PolarHBondContact O-N 3.29Å; L245-A248 VanDerWaalsContact O-N 3.1Å
249	S	92.3	Very high	81.3	Confident	10 Å²	10	22 Å²	22	7%	0.07	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	148.9	176.6	-67	0	0	0	0	111.3	L122 F154 V201 L202 F203 E247	L122-S249 PolarHBondContact N-OG 3.1Å; F154-S249 VanDerWaalsContact CZ-CB 3.45Å; V201-S249 PolarHBondContact O-N 3.11Å; L202-S249 WeakPolarHBondContact CA-O 3.49Å; F203-S249 PolarHBondContact N-O 3.3Å; E247-S249 PolarHBondContact O-N 3.12Å
250	I	93.6	Very high	80.3	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	121.8	-171.7	-50.2	-176.8	0	0	0	110.1	L122 N123 V124 F203 F205 L239 L240 M252	L122-I250 PolarHBondContact O-N 3.04Å; N123-I250 CarbonylContact C-O 3.22Å; N123-I250 WeakPolarHBondContact CA-O 3.45Å; N123-I250 WeakPolarHBondContact OD1-CD1 3.31Å; V124-I250 PolarHBondContact N-O 3.49Å; F203-I250 HydrophobicContact CB-CG1 4.46Å; F203-I250 HydrophobicContact CB-CG2 4.47Å; F203-I250 WeakPolarHBondContact O-CA 3.45Å; F205-I250 HydrophobicContact CD2-CG2 3.57Å; F205-I250 HydrophobicContact CE2-CG2 3.82Å; L239-I250 HydrophobicContact CB-CD1 3.92Å; L240-I250 HydrophobicContact CD2-CD1 4.2Å; L240-I250 HydrophobicContact CD2-CG2 4.37Å; I250-M252 HydrophobicContact CG2-CG 4.13Å
251	L	93.6	Very high	79.4	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.2	166.7	170.8	59.1	0	0	0	110.1	F110 V124 L126 L141 L202 F203 L204 F205	F110-L251 HydrophobicContact CZ-CB 3.95Å; V124-L251 HydrophobicContact CB-CD1 4.01Å; V124-L251 HydrophobicContact CG1-CD1 3.89Å; V124-L251 WeakPolarHBondContact O-CA 3.39Å; L126-L251 HydrophobicContact CB-CD1 3.75Å; L141-L251 HydrophobicContact CD1-CD2 3.88Å; L202-L251 HydrophobicContact CD1-CB 4.39Å; F203-L251 PolarHBondContact O-N 2.72Å; L204-L251 WeakPolarHBondContact CA-O 3.32Å; L204-L251 HydrophobicContact CD2-CB 3.73Å; L204-L251 HydrophobicContact CD2-CD2 4.06Å; L204-L251 HydrophobicContact CD2-CG 4.28Å; F205-L251 PolarHBondContact N-O 2.84Å
252	M	92.9	Very high	79.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.7	175.2	-68.2	167.5	-80.6	0	0	109.8	N123 V124 L125 L126 M208 L240 I250 I262 V267	N123-M252 HydrophobicContact CB-CE 4.06Å; V124-M252 PolarHBondContact O-N 3.18Å; L125-M252 HydrophobicContact CB-CE 4.4Å; L125-M252 HydrophobicContact CD1-CB 3.5Å; L125-M252 HydrophobicContact CD1-CE 4.5Å; L125-M252 HydrophobicContact CD1-SD 4.26Å; L126-M252 PolarHBondContact N-O 2.82Å; M208-M252 HydrophobicContact CE-CG 3.91Å; M208-M252 HydrophobicContact CE-SD 3.87Å; M208-M252 HydrophobicContact CG-CB 3.98Å; M208-M252 HydrophobicContact CG-CG 4.24Å; M208-M252 HydrophobicContact SD-CG 4.15Å; L240-M252 HydrophobicContact CD1-SD 3.97Å; L240-M252 HydrophobicContact CD2-CE 3.72Å; L240-M252 HydrophobicContact CD2-CG 4.37Å; L240-M252 HydrophobicContact CD2-SD 3.39Å; L240-M252 WeakPolarHBondContact CD2-SD 3.41Å; L240-M252 HydrophobicContact CG-SD 4.35Å; I250-M252 HydrophobicContact CG2-CG 4.13Å; M252-I262 HydrophobicContact SD-CD1 3.78Å; M252-V267 HydrophobicContact CE-CG2 4.3Å
253	A	85.6	Confident	79	Confident	1 Å²	1	37 Å²	37	1%	0.008	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.5	172.7	0	0	0	0	0	111.1	L126 V138 F205 G207 M208	L126-A253 VanDerWaalsContact O-CA 3.32Å; L126-A253 WeakPolarHBondContact O-CA 3.5Å; V138-A253 HydrophobicContact CG2-CB 4.21Å; F205-A253 PolarHBondContact O-N 3.05Å; G207-A253 WeakPolarHBondContact CA-O 3.44Å; G207-A253 PolarHBondContact N-O 2.64Å; M208-A253 PolarHBondContact N-O 3.32Å
254	T	75.7	Confident	78.7	Confident	1 Å²	1	38 Å²	38	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	169.4	-175.8	-158	0	0	0	0	116.7	L125 L126 Y127 G128 K134 E209 V259	L125-T254 HydrophobicContact CD1-CG2 3.82Å; L125-T254 HydrophobicContact CG-CG2 4.49Å; L126-T254 PolarHBondContact O-N 2.73Å; Y127-T254 WeakPolarHBondContact CA-O 3.4Å; G128-T254 PolarHBondContact N-O 3.5Å; K134-T254 WeakPolarHBondContact CD-O 3.11Å; K134-T254 WeakPolarHBondContact CE-O 3.05Å; E209-T254 PolarHBondContact N-OG1 2.86Å; E209-T254 VanDerWaalsContact OE2-CA 3.26Å; E209-T254 WeakPolarHBondContact OE2-CA 3.36Å; E209-T254 PolarHBondContact OE2-OG1 3.03Å; T254-V259 HydrophobicContact CG2-CG2 4.2Å
255	R	70.1	Confident	78.1	Confident	59 Å²	59	42.7 Å²	42.7	22%	0.223	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	148.6	172.3	-69	171.8	-155.8	-157.3	1	111.5	G128 V130 E209 S257 A258 V259	G128-R255 WeakPolarHBondContact O-CA 3.36Å; V130-R255 HydrophobicContact CG2-CG 4.39Å; E209-R255 HydrophobicContact CG-CG 4.24Å; E209-R255 WeakPolarHBondContact OE1-CD 3.5Å; E209-R255 WeakPolarHBondContact OE1-CG 3.26Å; E209-R255 IonicContact OE1-CZ 3.75Å; E209-R255 IonicContact OE1-NE 2.76Å; E209-R255 PolarHBondContact OE1-NE 3.41Å; E209-R255 IonicContact OE1-NH2 3.96Å; E209-R255 PolarHBondContact OE2-N 2.94Å; R255-S257 PolarHBondContact O-N 3.42Å; R255-A258 PolarHBondContact O-N 3.2Å; R255-V259 PolarHBondContact O-N 3.05Å
256	L	62.8	Low	77.9	Confident	100 Å²	100	43 Å²	43	52%	0.524	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-49.4	-43.7	174.4	-177	64	0	0	0	112.6	Y127 G128 A258 V259	Y127-L256 HydrophobicContact CD2-CD1 3.69Å; Y127-L256 HydrophobicContact CE2-CD1 3.67Å; G128-L256 PolarHBondContact O-N 3.39Å; G128-L256 VanDerWaalsContact O-N 3.16Å; L256-A258 PolarHBondContact O-N 3.47Å; L256-A258 VanDerWaalsContact O-N 3.08Å; L256-V259 WeakPolarHBondContact O-CG2 3.11Å; L256-V259 PolarHBondContact O-N 2.63Å
257	S	56.8	Low	77.9	Confident	102 Å²	102	41.4 Å²	41.4	71%	0.713	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-71	5.5	177.8	54	0	0	0	0	115.8	R255	R255-S257 PolarHBondContact O-N 3.42Å
258	A	60.2	Low	77.8	Confident	2 Å²	2	41.7 Å²	41.7	2%	0.017	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-123.2	-2.1	173.5	0	0	0	0	0	113.4	E209 R255 L256 E260 R261	E209-A258 HydrophobicContact CB-CB 3.57Å; R255-A258 PolarHBondContact O-N 3.2Å; L256-A258 PolarHBondContact O-N 3.47Å; L256-A258 VanDerWaalsContact O-N 3.08Å; A258-E260 VanDerWaalsContact C-N 3.33Å; A258-E260 PolarHBondContact O-N 2.86Å; A258-R261 WeakPolarHBondContact O-CB 3.47Å; A258-R261 PolarHBondContact O-N 3.08Å; A258-R261 VanDerWaalsContact O-N 3.14Å
259	V	69.6	Low	77.6	Confident	15 Å²	15	42.4 Å²	42.4	9%	0.091	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-59.2	-43.8	178.6	174.4	0	0	0	0	111.4	L125 Y127 T254 R255 L256 R261 I262 Y270	L125-V259 HydrophobicContact CD2-CG1 4.02Å; Y127-V259 VanDerWaalsContact CB-CG2 3.48Å; Y127-V259 HydrophobicContact CD1-CG2 4.36Å; Y127-V259 HydrophobicContact CD2-CG2 3.59Å; Y127-V259 HydrophobicContact CE2-CG2 4.4Å; Y127-V259 HydrophobicContact CG-CG2 3.55Å; T254-V259 HydrophobicContact CG2-CG2 4.2Å; R255-V259 PolarHBondContact O-N 3.05Å; L256-V259 WeakPolarHBondContact O-CG2 3.11Å; L256-V259 PolarHBondContact O-N 2.63Å; V259-R261 PolarHBondContact O-N 2.92Å; V259-R261 VanDerWaalsContact O-N 3.12Å; V259-I262 PolarHBondContact O-N 2.95Å; V259-Y270 HydrophobicContact CG1-CD1 4.46Å; V259-Y270 HydrophobicContact CG1-CE1 3.92Å
260	E	67.4	Low	77.3	Confident	192 Å²	192	42.3 Å²	42.3	90%	0.897	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-66	-12.2	-180	-60.5	-177	160.5	0	0	114	A258 I262	A258-E260 VanDerWaalsContact C-N 3.33Å; A258-E260 PolarHBondContact O-N 2.86Å; E260-I262 VanDerWaalsContact C-N 3.27Å; E260-I262 PolarHBondContact O-N 2.65Å
261	R	69.3	Low	77	Confident	92 Å²	92	42.2 Å²	42.2	35%	0.347	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-76.3	-15.1	176.4	-56.9	-175.9	-169.9	171.3	6.3	113.2	E209 F215 A258 V259	E209-R261 PolarHBondContact O-NH1 3.2Å; F215-R261 VanDerWaalsContact CE2-O 3.3Å; F215-R261 WeakPolarHBondContact CE2-O 3.49Å; A258-R261 WeakPolarHBondContact O-CB 3.47Å; A258-R261 PolarHBondContact O-N 3.08Å; A258-R261 VanDerWaalsContact O-N 3.14Å; V259-R261 PolarHBondContact O-N 2.92Å; V259-R261 VanDerWaalsContact O-N 3.12Å
262	I	78.8	Confident	76.4	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.031	22%	0.222	C	C	.	.	S	Bend	trans	-109.7	108.1	179.7	-55.8	177.2	0	0	0	107.1	L125 M208 F215 L240 M252 V259 E260 Q264 V267	L125-I262 HydrophobicContact CD1-CD1 3.97Å; M208-I262 HydrophobicContact CE-CD1 3.8Å; F215-I262 HydrophobicContact CZ-CG2 4.29Å; L240-I262 HydrophobicContact CD1-CG2 4.47Å; M252-I262 HydrophobicContact SD-CD1 3.78Å; V259-I262 PolarHBondContact O-N 2.95Å; E260-I262 VanDerWaalsContact C-N 3.27Å; E260-I262 PolarHBondContact O-N 2.65Å; I262-Q264 PolarHBondContact O-N 3.2Å; I262-V267 HydrophobicContact CG2-CG2 3.64Å
263	P	77.7	Confident	75.7	Confident	50 Å²	50	44.5 Å²	44.5	33%	0.325	22%	0.223	S	C	.	.			trans	-56.9	134.1	-179.2	-26.3	34.2	0	0	0	112	F215 K265 Y266	F215-P263 HydrophobicContact CB-CG 4Å; F215-P263 HydrophobicContact CD1-CG 4.3Å; F215-P263 HydrophobicContact CD2-CG 3.86Å; F215-P263 VanDerWaalsContact CE2-CD 3.42Å; F215-P263 HydrophobicContact CE2-CG 4.42Å; F215-P263 HydrophobicContact CG-CG 3.78Å; P263-K265 PolarHBondContact O-N 3.17Å; P263-Y266 HydrophobicContact CB-CD2 3.81Å; P263-Y266 HydrophobicContact CB-CE2 3.93Å; P263-Y266 HydrophobicContact CG-CD2 4.06Å; P263-Y266 HydrophobicContact CG-CE2 3.99Å; P263-Y266 PolarHBondContact O-N 2.96Å
264	Q	74.6	Confident	75	Confident	92 Å²	92	44.8 Å²	44.8	43%	0.43	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-47.5	-37.9	-176.5	168.3	169.1	-16.9	0	0	114.5	D83 R86 I262 Y266 V267 Y270	D83-Q264 PolarHBondContact OD2-NE2 3.35Å; R86-Q264 VanDerWaalsContact NH2-CD 3.34Å; I262-Q264 PolarHBondContact O-N 3.2Å; Q264-Y266 PolarHBondContact O-N 3.24Å; Q264-Y266 VanDerWaalsContact O-N 3.09Å; Q264-V267 PolarHBondContact O-N 3.16Å; Q264-Y270 WeakPolarHBondContact CA-OH 3.43Å
265	K	71.4	Confident	74.8	Confident	97 Å²	97	44.8 Å²	44.8	42%	0.422	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-60.2	-21.3	-178.8	-160.2	179	177.1	-171.3	0	113.9	P263 H562 D564 D565	P263-K265 PolarHBondContact O-N 3.17Å; K265-H562 WeakPolarHBondContact CE-O 3.46Å; K265-H562 PolarHBondContact NZ-O 2.69Å; K265-D564 IonicContact NZ-OD2 3.7Å; K265-D565 HydrophobicContact CD-CB 4.19Å; K265-D565 VanDerWaalsContact CD-OD1 3.28Å; K265-D565 WeakPolarHBondContact CD-OD1 3.37Å; K265-D565 WeakPolarHBondContact CE-OD1 3.31Å; K265-D565 IonicContact NZ-OD1 3.95Å; K265-D565 PolarHBondContact NZ-OD1 2.72Å
266	Y	82.4	Confident	75.2	Confident	10 Å²	10	42.2 Å²	42.2	4%	0.039	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-99	9.1	179	-50.4	-55.5	0	0	0	113.7	N123 F215 R241 P263 Q264 D565	N123-Y266 VanDerWaalsContact CB-O 3.27Å; N123-Y266 WeakPolarHBondContact CB-O 3.18Å; N123-Y266 PolarHBondContact ND2-O 2.9Å; F215-Y266 HydrophobicContact CB-CE2 4.27Å; F215-Y266 AromaticContact CD1-CD2 3.53Å; F215-Y266 HydrophobicContact CD1-CD2 3.53Å; F215-Y266 AromaticContact CD1-CE2 3.28Å; F215-Y266 HydrophobicContact CD1-CE2 3.28Å; F215-Y266 AromaticContact CE1-CD2 3.57Å; F215-Y266 HydrophobicContact CE1-CD2 3.57Å; F215-Y266 AromaticContact CE1-CE2 3.85Å; F215-Y266 HydrophobicContact CE1-CE2 3.85Å; F215-Y266 HydrophobicContact CE1-CG 4.39Å; F215-Y266 HydrophobicContact CG-CD2 4.41Å; F215-Y266 HydrophobicContact CG-CE2 4.02Å; F215-Y266 HydrophobicContact CZ-CD2 4.49Å; R241-Y266 HydrophobicContact CB-CE1 4.32Å; R241-Y266 HydrophobicContact CG-CD1 4.22Å; R241-Y266 HydrophobicContact CG-CE1 3.66Å; P263-Y266 HydrophobicContact CB-CD2 3.81Å; P263-Y266 HydrophobicContact CB-CE2 3.93Å; P263-Y266 HydrophobicContact CG-CD2 4.06Å; P263-Y266 HydrophobicContact CG-CE2 3.99Å; P263-Y266 PolarHBondContact O-N 2.96Å; Q264-Y266 PolarHBondContact O-N 3.24Å; Q264-Y266 VanDerWaalsContact O-N 3.09Å; Y266-D565 PolarHBondContact OH-OD2 3.16Å
267	V	85.1	Confident	75.4	Confident	15 Å²	15	41.7 Å²	41.7	9%	0.091	21%	0.213	C	C	.	.			trans	-125.2	119.5	-179.4	-177	0	0	0	0	109.9	L125 M252 I262 Q264 R269 Y270	L125-V267 HydrophobicContact CB-CG1 3.58Å; L125-V267 HydrophobicContact CB-CG2 4.44Å; L125-V267 HydrophobicContact CD2-CG2 4.4Å; M252-V267 HydrophobicContact CE-CG2 4.3Å; I262-V267 HydrophobicContact CG2-CG2 3.64Å; Q264-V267 PolarHBondContact O-N 3.16Å; V267-R269 WeakPolarHBondContact CG1-O 3.36Å; V267-Y270 HydrophobicContact CB-CD2 4.36Å; V267-Y270 HydrophobicContact CB-CE2 3.49Å; V267-Y270 VanDerWaalsContact CB-CE2 3.49Å; V267-Y270 HydrophobicContact CG1-CD2 3.71Å; V267-Y270 HydrophobicContact CG1-CE1 4.27Å; V267-Y270 HydrophobicContact CG1-CE2 3.31Å; V267-Y270 HydrophobicContact CG1-CG 4.31Å; V267-Y270 HydrophobicContact CG2-CE2 4.37Å
268	S	84.5	Confident	76	Confident	28 Å²	28	38.9 Å²	38.9	20%	0.196	19%	0.19	C	C	.	.	S	Bend	trans	-78.9	-36.9	-178.4	-42.4	0	0	0	0	113	W116 L122 N123	W116-S268 VanDerWaalsContact CE2-OG 3.29Å; W116-S268 WeakPolarHBondContact CZ2-OG 3.32Å; L122-S268 VanDerWaalsContact CD2-CB 3.42Å; N123-S268 PolarHBondContact N-OG 3.24Å; N123-S268 PolarHBondContact O-N 2.83Å
269	R	85.3	Confident	76.2	Confident	16 Å²	16	40.7 Å²	40.7	6%	0.06	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	134	-175.9	175	176.5	-85.8	135.2	-3.5	111.3	E80 Q108 L109 D111 N123 L125 V267	E80-R269 IonicContact OE1-CZ 2.66Å; E80-R269 IonicContact OE1-NE 3.56Å; E80-R269 PolarHBondContact OE1-NE 2.91Å; E80-R269 IonicContact OE1-NH2 3.46Å; E80-R269 PolarHBondContact OE1-NH2 3.39Å; Q108-R269 PolarHBondContact O-NH1 3.34Å; L109-R269 VanDerWaalsContact C-NH1 3.35Å; L109-R269 WeakPolarHBondContact O-CD 3.23Å; L109-R269 PolarHBondContact O-NH1 3.33Å; D111-R269 PolarHBondContact O-NH1 2.97Å; D111-R269 PolarHBondContact O-NH2 2.81Å; D111-R269 VanDerWaalsContact O-NH2 3.17Å; N123-R269 PolarHBondContact O-N 2.81Å; L125-R269 PolarHBondContact N-O 2.92Å; V267-R269 WeakPolarHBondContact CG1-O 3.36Å
270	Y	85.8	Confident	76.5	Confident	7 Å²	7	44.5 Å²	44.5	3%	0.027	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.8	176.8	-79.1	-98.8	0	0	0	110.4	R81 R86 L125 Y127 V259 Q264 V267	R81-Y270 PolarHBondContact N-O 3.04Å; R86-Y270 VanDerWaalsContact NH2-CZ 3.3Å; L125-Y270 HydrophobicContact CD2-CD1 4.19Å; L125-Y270 HydrophobicContact CD2-CE1 3.71Å; Y127-Y270 HydrophobicContact CD1-CD1 4.42Å; Y127-Y270 HydrophobicContact CE1-CD1 4.01Å; V259-Y270 HydrophobicContact CG1-CD1 4.46Å; V259-Y270 HydrophobicContact CG1-CE1 3.92Å; Q264-Y270 WeakPolarHBondContact CA-OH 3.43Å; V267-Y270 HydrophobicContact CB-CD2 4.36Å; V267-Y270 HydrophobicContact CB-CE2 3.49Å; V267-Y270 VanDerWaalsContact CB-CE2 3.49Å; V267-Y270 HydrophobicContact CG1-CD2 3.71Å; V267-Y270 HydrophobicContact CG1-CE1 4.27Å; V267-Y270 HydrophobicContact CG1-CE2 3.31Å; V267-Y270 HydrophobicContact CG1-CG 4.31Å; V267-Y270 HydrophobicContact CG2-CE2 4.37Å
271	A	86.5	Confident	77	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	109.8	-179.2	0	0	0	0	0	110.3	I78 L109 L125 L126 Y127	I78-A271 HydrophobicContact CG2-CB 3.85Å; L109-A271 HydrophobicContact CD2-CB 3.66Å; L125-A271 PolarHBondContact O-N 2.9Å; L126-A271 CarbonylContact C-O 3.58Å; L126-A271 VanDerWaalsContact CA-O 3.31Å; L126-A271 WeakPolarHBondContact CA-O 3.38Å; L126-A271 HydrophobicContact CD1-CB 3.94Å; Y127-A271 WeakPolarHBondContact CD1-O 3.24Å; Y127-A271 PolarHBondContact N-O 3.14Å
272	Q	82.4	Confident	77.2	Confident	47 Å²	47	34.6 Å²	34.6	22%	0.22	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	110.3	177.3	-168.7	-174.6	5.3	0	0	110.3	I78 L79 R81 Y127 C274	I78-Q272 WeakPolarHBondContact CA-O 3.34Å; L79-Q272 PolarHBondContact N-O 3.12Å; L79-Q272 PolarHBondContact O-N 2.71Å; R81-Q272 HydrophobicContact CG-CB 3.96Å; Y127-Q272 HydrophobicContact CE1-CB 4.12Å; Y127-Q272 HydrophobicContact CE2-CB 4.25Å; Y127-Q272 HydrophobicContact CE2-CG 3.95Å; Y127-Q272 WeakPolarHBondContact O-CA 3.3Å; Q272-C274 PolarHBondContact O-N 3.32Å; Q272-C274 PolarHBondContact O-SG 3.31Å; Q272-C274 VanDerWaalsContact O-SG 3.34Å
273	I	78.7	Confident	77.1	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	110.3	171.2	176.1	-177.8	0	0	0	109.8	P76 L126 Y127 T132 K134 I137	P76-I273 HydrophobicContact CB-CD1 4.47Å; P76-I273 HydrophobicContact CB-CG1 4.22Å; P76-I273 HydrophobicContact CG-CD1 3.97Å; P76-I273 HydrophobicContact CG-CG1 4.08Å; L126-I273 HydrophobicContact CD1-CB 3.99Å; L126-I273 HydrophobicContact CD1-CG2 4.12Å; L126-I273 HydrophobicContact CG-CG2 4.26Å; Y127-I273 WeakPolarHBondContact O-CG2 3.17Å; Y127-I273 PolarHBondContact O-N 3.44Å; T132-I273 WeakPolarHBondContact O-CD1 3.33Å; K134-I273 HydrophobicContact CD-CG2 4.26Å; K134-I273 HydrophobicContact CG-CD1 4.2Å; K134-I273 HydrophobicContact CG-CG2 3.63Å; I137-I273 HydrophobicContact CD1-CD1 3.49Å; I137-I273 VanDerWaalsContact CD1-CD1 3.49Å; I137-I273 HydrophobicContact CD1-CG1 4.19Å; I137-I273 HydrophobicContact CG1-CD1 4.19Å
274	C	68.9	Low	77.1	Confident	8 Å²	8	37.6 Å²	37.6	5%	0.054	19%	0.19	C	C	.	.			trans	-102.1	21.5	-174.9	-57.7	0	0	0	0	112.7	L77 Q272 F276 N277 F324	L77-C274 HydrophobicContact CB-CB 4.26Å; L77-C274 HydrophobicContact CD2-CB 4.3Å; L77-C274 HydrophobicContact CG-CB 4.39Å; L77-C274 PolarHBondContact O-N 3.36Å; Q272-C274 PolarHBondContact O-N 3.32Å; Q272-C274 PolarHBondContact O-SG 3.31Å; Q272-C274 VanDerWaalsContact O-SG 3.34Å; C274-F276 PolarHBondContact O-N 3.12Å; C274-N277 HydrophobicContact CB-CB 4.37Å; C274-F324 HydrophobicContact CB-CE2 4.12Å; C274-F324 HydrophobicContact CB-CZ 4.15Å; C274-F324 WeakPolarHBondContact O-CD2 3.45Å; C274-F324 WeakPolarHBondContact O-CE2 3.31Å; C274-F324 VanDerWaalsContact O-CZ 3.31Å; C274-F324 WeakPolarHBondContact O-CZ 3.01Å
275	G	73.3	Confident	77.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.			trans	54.7	-136.9	175.7	0	0	0	0	0	113	P76 L77 N277 F324	P76-G275 CarbonylContact C-O 3.51Å; P76-G275 WeakPolarHBondContact CA-O 3.31Å; P76-G275 VanDerWaalsContact CB-O 3.23Å; P76-G275 WeakPolarHBondContact CB-O 3.19Å; L77-G275 PolarHBondContact N-O 2.89Å; G275-N277 PolarHBondContact O-N 2.91Å; G275-F324 CarbonylContact C-O 3.53Å; G275-F324 WeakPolarHBondContact CA-O 3.26Å
276	F	77.3	Confident	77.3	Confident	5 Å²	5	29.5 Å²	29.5	2%	0.022	15%	0.153	C	C	.	.	S	Bend	trans	-98.7	75.8	174.8	-54.1	-37.5	0	0	0	110	V74 P76 C274 D278 R281 Q282 Y285 F324 P326 C329	V74-F276 HydrophobicContact CB-CE1 3.95Å; V74-F276 HydrophobicContact CB-CZ 4.07Å; V74-F276 HydrophobicContact CG1-CD1 4.35Å; V74-F276 HydrophobicContact CG1-CE1 3.84Å; V74-F276 HydrophobicContact CG1-CZ 4.34Å; V74-F276 WeakPolarHBondContact O-CE1 3.27Å; P76-F276 HydrophobicContact CB-CD1 4.42Å; P76-F276 HydrophobicContact CB-CE1 4.4Å; C274-F276 PolarHBondContact O-N 3.12Å; F276-D278 PolarHBondContact O-N 2.94Å; F276-R281 HydrophobicContact CB-CB 4.14Å; F276-R281 HydrophobicContact CD1-CB 4.01Å; F276-R281 HydrophobicContact CG-CB 4.31Å; F276-Q282 HydrophobicContact CB-CG 3.53Å; F276-Q282 PolarHBondContact O-NE2 2.68Å; F276-Y285 HydrophobicContact CE2-CD1 4.36Å; F276-Y285 AromaticContact CE2-CD2 3.48Å; F276-Y285 HydrophobicContact CE2-CD2 3.48Å; F276-Y285 VanDerWaalsContact CE2-CD2 3.48Å; F276-Y285 HydrophobicContact CE2-CE2 4.14Å; F276-Y285 AromaticContact CE2-CG 3.6Å; F276-Y285 HydrophobicContact CE2-CG 3.6Å; F276-Y285 AromaticContact CZ-CD2 3.55Å; F276-Y285 HydrophobicContact CZ-CD2 3.55Å; F276-Y285 HydrophobicContact CZ-CE2 4.23Å; F276-Y285 HydrophobicContact CZ-CG 4.07Å; F276-F324 PolarHBondContact N-O 3.43Å; F276-F324 WeakPolarHBondContact O-CA 3.42Å; F276-P326 HydrophobicContact CD1-CG 4.28Å; F276-P326 HydrophobicContact CD2-CB 4.21Å; F276-P326 HydrophobicContact CD2-CG 3.91Å; F276-P326 HydrophobicContact CE1-CG 4.01Å; F276-P326 HydrophobicContact CE2-CB 3.58Å; F276-P326 HydrophobicContact CE2-CG 3.64Å; F276-P326 HydrophobicContact CG-CG 4.23Å; F276-P326 HydrophobicContact CZ-CB 3.8Å; F276-P326 HydrophobicContact CZ-CG 3.68Å; F276-C329 HydrophobicContact CD2-CB 4.41Å; F276-C329 HydrophobicContact CE2-CB 4.35Å
277	N	66.7	Low	77	Confident	90 Å²	90	31.2 Å²	31.2	48%	0.481	16%	0.164	S	C	.	.			trans	-73.5	-11.8	-175.2	-166.5	58.6	0	0	0	114.6	L77 C274 G275 F324	L77-N277 HydrophobicContact CB-CB 4.33Å; L77-N277 HydrophobicContact CD2-CB 3.7Å; C274-N277 HydrophobicContact CB-CB 4.37Å; G275-N277 PolarHBondContact O-N 2.91Å; N277-F324 HydrophobicContact CB-CD2 4.19Å; N277-F324 HydrophobicContact CB-CE2 4.16Å; N277-F324 WeakPolarHBondContact OD1-CD2 3.47Å; N277-F324 WeakPolarHBondContact OD1-CE2 3.34Å
278	D	69.9	Low	76.4	Confident	42 Å²	42	32 Å²	32	23%	0.225	17%	0.17	C	C	.	.	S	Bend	trans	-118.3	143.8	177.7	58.6	80.1	0	0	0	111.3	F276 D280 R281 Q282	F276-D278 PolarHBondContact O-N 2.94Å; D278-D280 PolarHBondContact O-N 3.15Å; D278-D280 VanDerWaalsContact O-N 3.12Å; D278-D280 PolarHBondContact OD1-N 3.15Å; D278-R281 PolarHBondContact O-N 3.26Å; D278-R281 WeakPolarHBondContact OD1-CB 3.41Å; D278-R281 VanDerWaalsContact OD1-CG 3.27Å; D278-R281 WeakPolarHBondContact OD1-CG 3.47Å; D278-R281 PolarHBondContact OD1-N 3.42Å; D278-R281 IonicContact OD1-NE 3.69Å; D278-R281 WeakPolarHBondContact OD2-CD 3.46Å; D278-R281 IonicContact OD2-CZ 2.67Å; D278-R281 IonicContact OD2-NE 3.73Å; D278-R281 PolarHBondContact OD2-NE 3.06Å; D278-Q282 WeakPolarHBondContact O-CG 3.3Å; D278-Q282 PolarHBondContact O-N 3.31Å
279	P	65.4	Low	75.7	Confident	40 Å²	40	33.2 Å²	33.2	26%	0.26	17%	0.171	S	C	.	.	H	α-helix	trans	-60.8	-18.5	179.4	-26.6	36.2	0	0	0	114.6	R283 Y310 L313 Q314	P279-R283 VanDerWaalsContact O-CB 3.32Å; P279-R283 WeakPolarHBondContact O-CB 3.28Å; P279-R283 PolarHBondContact O-N 3.42Å; P279-Y310 HydrophobicContact CB-CD2 4.32Å; P279-Y310 HydrophobicContact CB-CE2 4.08Å; P279-L313 HydrophobicContact CB-CB 4.38Å; P279-Q314 HydrophobicContact CB-CG 4.22Å; P279-Q314 HydrophobicContact CG-CG 4.49Å
280	D	75.1	Confident	74.9	Confident	95 Å²	95	33.7 Å²	33.7	51%	0.508	18%	0.175	S	C	.	.	H	α-helix	trans	-77.8	-43.4	-178.2	-65.8	-47.1	0	0	0	112.1	D278 Q282 R283 A284 Y310	D278-D280 PolarHBondContact O-N 3.15Å; D278-D280 VanDerWaalsContact O-N 3.12Å; D278-D280 PolarHBondContact OD1-N 3.15Å; D280-Q282 VanDerWaalsContact C-N 3.31Å; D280-R283 PolarHBondContact O-N 3.35Å; D280-A284 WeakPolarHBondContact O-CB 3.41Å; D280-A284 PolarHBondContact O-N 3.48Å; D280-Y310 WeakPolarHBondContact OD1-CE2 3.34Å; D280-Y310 PolarHBondContact OD1-OH 3Å
281	R	77.8	Confident	73.9	Confident	73 Å²	73	35.4 Å²	35.4	28%	0.275	18%	0.184	S	C	.	.	H	α-helix	trans	-62.5	-39.4	167.5	-73.6	173.8	-152.5	-88.5	-9	111.6	V74 D75 F276 D278 A284 Y285	V74-R281 HydrophobicContact CG1-CB 4.16Å; V74-R281 HydrophobicContact CG1-CG 4.35Å; D75-R281 WeakPolarHBondContact O-CD 3.39Å; D75-R281 PolarHBondContact O-NH1 2.98Å; F276-R281 HydrophobicContact CB-CB 4.14Å; F276-R281 HydrophobicContact CD1-CB 4.01Å; F276-R281 HydrophobicContact CG-CB 4.31Å; D278-R281 PolarHBondContact O-N 3.26Å; D278-R281 WeakPolarHBondContact OD1-CB 3.41Å; D278-R281 VanDerWaalsContact OD1-CG 3.27Å; D278-R281 WeakPolarHBondContact OD1-CG 3.47Å; D278-R281 PolarHBondContact OD1-N 3.42Å; D278-R281 IonicContact OD1-NE 3.69Å; D278-R281 WeakPolarHBondContact OD2-CD 3.46Å; D278-R281 IonicContact OD2-CZ 2.67Å; D278-R281 IonicContact OD2-NE 3.73Å; D278-R281 PolarHBondContact OD2-NE 3.06Å; R281-A284 PolarHBondContact O-N 3.2Å; R281-Y285 PolarHBondContact O-N 2.91Å
282	Q	73.5	Confident	72.6	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-52.6	173.8	-63.7	177.5	2.2	0	0	109.7	F276 D278 D280 A284 Y285 F286 L313 A320 C323	F276-Q282 HydrophobicContact CB-CG 3.53Å; F276-Q282 PolarHBondContact O-NE2 2.68Å; D278-Q282 WeakPolarHBondContact O-CG 3.3Å; D278-Q282 PolarHBondContact O-N 3.31Å; D280-Q282 VanDerWaalsContact C-N 3.31Å; Q282-A284 VanDerWaalsContact C-N 3.32Å; Q282-A284 PolarHBondContact O-N 2.9Å; Q282-Y285 WeakPolarHBondContact O-CB 3.42Å; Q282-Y285 PolarHBondContact O-N 3.1Å; Q282-Y285 VanDerWaalsContact O-N 3.1Å; Q282-F286 HydrophobicContact CB-CE2 4.29Å; Q282-F286 WeakPolarHBondContact O-CD2 3.39Å; Q282-F286 PolarHBondContact O-N 3.38Å; Q282-L313 HydrophobicContact CB-CD1 3.68Å; Q282-A320 PolarHBondContact NE2-O 3.28Å; Q282-C323 HydrophobicContact CG-CB 4.24Å; Q282-C323 VanDerWaalsContact NE2-C 3.33Å; Q282-C323 PolarHBondContact NE2-O 2.7Å
283	R	77.3	Confident	71.1	Confident	75 Å²	75	38.7 Å²	38.7	28%	0.283	21%	0.205	S	C	.	.	H	α-helix	trans	-55	-45.1	174.8	-171.3	-175	-175.7	166.6	2.6	111.8	P279 D280 Y285 F286 T287 I306 E307 Y310	P279-R283 VanDerWaalsContact O-CB 3.32Å; P279-R283 WeakPolarHBondContact O-CB 3.28Å; P279-R283 PolarHBondContact O-N 3.42Å; D280-R283 PolarHBondContact O-N 3.35Å; R283-Y285 VanDerWaalsContact C-N 3.29Å; R283-Y285 PolarHBondContact O-N 3.41Å; R283-F286 PolarHBondContact O-N 2.88Å; R283-T287 VanDerWaalsContact O-CB 3.25Å; R283-T287 WeakPolarHBondContact O-CB 3.4Å; R283-T287 PolarHBondContact O-N 3.15Å; R283-T287 PolarHBondContact O-OG1 2.86Å; R283-I306 HydrophobicContact CG-CG2 3.99Å; R283-E307 IonicContact NH2-OE1 2.64Å; R283-Y310 HydrophobicContact CB-CD2 3.64Å; R283-Y310 HydrophobicContact CB-CE2 4.06Å; R283-Y310 HydrophobicContact CB-CG 4.28Å; R283-Y310 HydrophobicContact CG-CD2 3.93Å; R283-Y310 HydrophobicContact CG-CE2 4.45Å; R283-Y310 HydrophobicContact CG-CG 4.08Å
284	A	77.4	Confident	69.5	Low	44 Å²	44	47.1 Å²	47.1	36%	0.364	24%	0.244	S	C	.	.	H	α-helix	trans	-59.8	-39.4	178.9	0	0	0	0	0	111.7	V74 D280 R281 Q282 T287 S288	V74-A284 HydrophobicContact CG1-CB 4.31Å; V74-A284 HydrophobicContact CG2-CB 4.32Å; D280-A284 WeakPolarHBondContact O-CB 3.41Å; D280-A284 PolarHBondContact O-N 3.48Å; R281-A284 PolarHBondContact O-N 3.2Å; Q282-A284 VanDerWaalsContact C-N 3.32Å; Q282-A284 PolarHBondContact O-N 2.9Å; A284-T287 PolarHBondContact O-N 3.33Å; A284-S288 WeakPolarHBondContact O-CB 3.42Å; A284-S288 PolarHBondContact O-N 3.34Å; A284-S288 PolarHBondContact O-OG 3.34Å; A284-S288 VanDerWaalsContact O-OG 3.08Å
285	Y	76.4	Confident	68.4	Low	18 Å²	18	54.5 Å²	54.5	7%	0.071	28%	0.278	C	S	.	.	H	α-helix	trans	-67.5	-44.3	175.3	-174.1	-86.5	0	0	0	112.7	V74 F276 R281 Q282 R283 T287 S288 R289 C329 W330	V74-Y285 HydrophobicContact CG2-CD2 4.35Å; F276-Y285 HydrophobicContact CE2-CD1 4.36Å; F276-Y285 AromaticContact CE2-CD2 3.48Å; F276-Y285 HydrophobicContact CE2-CD2 3.48Å; F276-Y285 VanDerWaalsContact CE2-CD2 3.48Å; F276-Y285 HydrophobicContact CE2-CE2 4.14Å; F276-Y285 AromaticContact CE2-CG 3.6Å; F276-Y285 HydrophobicContact CE2-CG 3.6Å; F276-Y285 AromaticContact CZ-CD2 3.55Å; F276-Y285 HydrophobicContact CZ-CD2 3.55Å; F276-Y285 HydrophobicContact CZ-CE2 4.23Å; F276-Y285 HydrophobicContact CZ-CG 4.07Å; R281-Y285 PolarHBondContact O-N 2.91Å; Q282-Y285 WeakPolarHBondContact O-CB 3.42Å; Q282-Y285 PolarHBondContact O-N 3.1Å; Q282-Y285 VanDerWaalsContact O-N 3.1Å; R283-Y285 VanDerWaalsContact C-N 3.29Å; R283-Y285 PolarHBondContact O-N 3.41Å; Y285-T287 VanDerWaalsContact C-N 3.33Å; Y285-S288 PolarHBondContact O-OG 3.08Å; Y285-R289 HydrophobicContact CD1-CG 4.33Å; Y285-R289 HydrophobicContact CE1-CG 3.97Å; Y285-R289 WeakPolarHBondContact O-CB 3.42Å; Y285-R289 WeakPolarHBondContact O-CG 3.33Å; Y285-R289 PolarHBondContact O-N 3.1Å; Y285-R289 VanDerWaalsContact O-N 3.12Å; Y285-C329 HydrophobicContact CD1-CB 3.57Å; Y285-C329 HydrophobicContact CE1-CB 3.66Å; Y285-C329 HydrophobicContact CG-CB 4.34Å; Y285-W330 WeakPolarHBondContact OH-CB 3.46Å
286	F	74.4	Confident	67.1	Low	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-38.9	174.7	-67.6	-68.3	0	0	0	111.7	Q282 R283 R289 L290 L309 L313 C329 T332 C333	Q282-F286 HydrophobicContact CB-CE2 4.29Å; Q282-F286 WeakPolarHBondContact O-CD2 3.39Å; Q282-F286 PolarHBondContact O-N 3.38Å; R283-F286 PolarHBondContact O-N 2.88Å; F286-R289 PolarHBondContact O-N 2.95Å; F286-L290 HydrophobicContact CB-CD1 4.45Å; F286-L290 VanDerWaalsContact O-CB 3.28Å; F286-L290 WeakPolarHBondContact O-CB 3.44Å; F286-L290 VanDerWaalsContact O-CG 3.27Å; F286-L290 WeakPolarHBondContact O-CG 3.08Å; F286-L290 PolarHBondContact O-N 2.81Å; F286-L309 HydrophobicContact CB-CD2 4.33Å; F286-L309 HydrophobicContact CD1-CD1 4.26Å; F286-L309 HydrophobicContact CD1-CD2 4.17Å; F286-L309 HydrophobicContact CD2-CD2 3.3Å; F286-L309 HydrophobicContact CE1-CD1 4.28Å; F286-L309 HydrophobicContact CE1-CD2 4.4Å; F286-L309 HydrophobicContact CE2-CD2 3.6Å; F286-L309 HydrophobicContact CG-CD2 3.67Å; F286-L309 HydrophobicContact CZ-CD2 4.14Å; F286-L313 HydrophobicContact CD2-CD1 4.13Å; F286-L313 HydrophobicContact CE2-CD1 3.86Å; F286-C329 HydrophobicContact CE1-CB 4.37Å; F286-C329 HydrophobicContact CE2-CB 4.46Å; F286-C329 HydrophobicContact CZ-CB 3.9Å; F286-T332 HydrophobicContact CE1-CG2 3.81Å; F286-T332 HydrophobicContact CZ-CG2 4.05Å; F286-C333 WeakPolarHBondContact CD1-SG 3.42Å; F286-C333 VanDerWaalsContact CE1-SG 3.59Å
287	T	75.2	Confident	65.8	Low	47 Å²	47	57.6 Å²	57.6	29%	0.288	31%	0.305	S	S	.	.	H	α-helix	trans	-65	-50	178	-55.3	0	0	0	0	111.4	R283 A284 Y285 R289 L290 L291 I306	R283-T287 VanDerWaalsContact O-CB 3.25Å; R283-T287 WeakPolarHBondContact O-CB 3.4Å; R283-T287 PolarHBondContact O-N 3.15Å; R283-T287 PolarHBondContact O-OG1 2.86Å; A284-T287 PolarHBondContact O-N 3.33Å; Y285-T287 VanDerWaalsContact C-N 3.33Å; T287-R289 PolarHBondContact O-N 3.22Å; T287-L290 PolarHBondContact O-N 2.85Å; T287-L291 HydrophobicContact CG2-CD1 3.99Å; T287-L291 PolarHBondContact O-N 3.02Å; T287-I306 WeakPolarHBondContact OG1-CG2 3.5Å
288	S	73.3	Confident	64.9	Low	31 Å²	31	61.4 Å²	61.4	22%	0.217	32%	0.32	C	S	.	.	H	α-helix	trans	-69.2	-19.4	-179.8	68.3	0	0	0	0	113.4	A284 Y285 Q292	A284-S288 WeakPolarHBondContact O-CB 3.42Å; A284-S288 PolarHBondContact O-N 3.34Å; A284-S288 PolarHBondContact O-OG 3.34Å; A284-S288 VanDerWaalsContact O-OG 3.08Å; Y285-S288 PolarHBondContact O-OG 3.08Å; S288-Q292 WeakPolarHBondContact O-CG 3.2Å; S288-Q292 PolarHBondContact O-NE2 2.95Å
289	R	68.9	Low	64.3	Low	53 Å²	53	61.8 Å²	61.8	20%	0.2	32%	0.321	C	S	.	.	H	α-helix	trans	-92.9	-28	175.2	-72	-67.4	-170	151.3	0.9	114.7	E60 M72 Y285 F286 T287	E60-R289 IonicContact OE1-NH2 2.79Å; M72-R289 PolarHBondContact SD-NH1 2.94Å; M72-R289 VanDerWaalsContact SD-NH1 3.35Å; Y285-R289 HydrophobicContact CD1-CG 4.33Å; Y285-R289 HydrophobicContact CE1-CG 3.97Å; Y285-R289 WeakPolarHBondContact O-CB 3.42Å; Y285-R289 WeakPolarHBondContact O-CG 3.33Å; Y285-R289 PolarHBondContact O-N 3.1Å; Y285-R289 VanDerWaalsContact O-N 3.12Å; F286-R289 PolarHBondContact O-N 2.95Å; T287-R289 PolarHBondContact O-N 3.22Å
290	L	67.7	Low	64	Low	27 Å²	27	67.6 Å²	67.6	14%	0.141	34%	0.343	C	S	.	.	H	α-helix	trans	-101	-20	-172	-66.1	171.1	0	0	0	115.3	F286 T287 I306	F286-L290 HydrophobicContact CB-CD1 4.45Å; F286-L290 VanDerWaalsContact O-CB 3.28Å; F286-L290 WeakPolarHBondContact O-CB 3.44Å; F286-L290 VanDerWaalsContact O-CG 3.27Å; F286-L290 WeakPolarHBondContact O-CG 3.08Å; F286-L290 PolarHBondContact O-N 2.81Å; T287-L290 PolarHBondContact O-N 2.85Å; L290-I306 HydrophobicContact CB-CD1 4.24Å; L290-I306 HydrophobicContact CD1-CG1 4.01Å
291	L	66.5	Low	63.1	Low	42 Å²	42	69.5 Å²	69.5	22%	0.22	35%	0.349	C	S	.	.			trans	-106.6	23.6	-175.4	-59.9	179.6	0	0	0	114.6	T287 S293 A302 Q303 I306	T287-L291 HydrophobicContact CG2-CD1 3.99Å; T287-L291 PolarHBondContact O-N 3.02Å; L291-S293 PolarHBondContact O-N 3.48Å; L291-A302 HydrophobicContact CD2-CB 3.67Å; L291-Q303 HydrophobicContact CD1-CG 4.43Å; L291-Q303 HydrophobicContact CD2-CG 4.26Å; L291-I306 HydrophobicContact CD1-CD1 3.73Å; L291-I306 HydrophobicContact CD2-CD1 3.99Å; L291-I306 HydrophobicContact CG-CD1 3.63Å
292	Q	59.2	Low	62.1	Low	64 Å²	64	66.2 Å²	66.2	30%	0.299	34%	0.337	S	S	.	.			trans	-76.2	-7.4	-166.2	-75.1	-120.8	-21.3	0	0	117.4	M72 S288	M72-Q292 HydrophobicContact CE-CG 4.31Å; S288-Q292 WeakPolarHBondContact O-CG 3.2Å; S288-Q292 PolarHBondContact O-NE2 2.95Å
293	S	51.1	Low	61.7	Low	52 Å²	52	69.8 Å²	69.8	36%	0.364	35%	0.353	S	S	.	.	S	Bend	trans	-97.4	144.8	170	176.4	0	0	0	0	110.1	L291 E295 A296 A297	L291-S293 PolarHBondContact O-N 3.48Å; S293-E295 PolarHBondContact O-N 2.85Å; S293-E295 PolarHBondContact OG-N 2.8Å; S293-A296 CarbonylContact O-C 3.54Å; S293-A296 WeakPolarHBondContact O-CA 3.35Å; S293-A296 WeakPolarHBondContact O-CB 3.32Å; S293-A296 PolarHBondContact O-N 2.93Å; S293-A297 PolarHBondContact O-N 2.86Å
294	E	43.9	Very low	60.9	Low	180 Å²	180	69.6 Å²	69.6	84%	0.841	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.3	170.8	-61.5	-174.6	141.5	0	0	111.7
295	E	45	Very low	60	Low	162 Å²	162	68.9 Å²	68.9	76%	0.757	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-35	170.6	-57.9	177.6	138.8	0	0	112.3	S293 Q298	S293-E295 PolarHBondContact O-N 2.85Å; S293-E295 PolarHBondContact OG-N 2.8Å; E295-Q298 PolarHBondContact O-N 2.79Å
296	A	48	Very low	59.6	Low	23 Å²	23	68.4 Å²	68.4	19%	0.19	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-74.5	-28.9	178.7	0	0	0	0	0	112.6	S293 Q298 N299	S293-A296 CarbonylContact O-C 3.54Å; S293-A296 WeakPolarHBondContact O-CA 3.35Å; S293-A296 WeakPolarHBondContact O-CB 3.32Å; S293-A296 PolarHBondContact O-N 2.93Å; A296-Q298 PolarHBondContact O-N 3.49Å; A296-N299 WeakPolarHBondContact O-CB 3.37Å; A296-N299 PolarHBondContact O-N 2.82Å
297	A	48.2	Very low	59	Low	48 Å²	48	73.2 Å²	73.2	40%	0.397	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-61.6	-25.4	172.1	0	0	0	0	0	112.8	S293 Q303	S293-A297 PolarHBondContact O-N 2.86Å; A297-Q303 PolarHBondContact O-NE2 3.33Å
298	Q	47.8	Very low	58.3	Low	170 Å²	170	75.2 Å²	75.2	79%	0.794	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-87.9	-9.2	172.8	-57.8	-173.1	17.4	0	0	113.2	E295 A296 K300	E295-Q298 PolarHBondContact O-N 2.79Å; A296-Q298 PolarHBondContact O-N 3.49Å; Q298-K300 PolarHBondContact O-N 3.2Å; Q298-K300 VanDerWaalsContact O-N 3.09Å
299	N	58.7	Low	57.9	Low	49 Å²	49	74.7 Å²	74.7	26%	0.262	38%	0.375	S	S	.	.			trans	-80.6	96.4	-175.5	-168.8	-10.6	0	0	0	111.5	A296 E301 A302 Q303	A296-N299 WeakPolarHBondContact O-CB 3.37Å; A296-N299 PolarHBondContact O-N 2.82Å; N299-E301 PolarHBondContact O-N 2.69Å; N299-E301 VanDerWaalsContact O-N 3.09Å; N299-E301 WeakPolarHBondContact OD1-CB 3.36Å; N299-E301 PolarHBondContact OD1-N 2.7Å; N299-A302 HydrophobicContact CB-CB 4.36Å; N299-A302 PolarHBondContact O-N 3.23Å; N299-A302 VanDerWaalsContact O-N 3.07Å; N299-Q303 PolarHBondContact O-N 2.79Å
300	K	59.1	Low	57.7	Low	162 Å²	162	73.9 Å²	73.9	70%	0.704	37%	0.372	S	S	*	.	H	α-helix	trans	-49.6	-32.1	174.4	-95.2	-174.6	171.5	-177.5	0	113.9	Q298 Q303 T304	Q298-K300 PolarHBondContact O-N 3.2Å; Q298-K300 VanDerWaalsContact O-N 3.09Å; K300-Q303 PolarHBondContact O-N 3.27Å; K300-T304 WeakPolarHBondContact O-CB 3.48Å; K300-T304 PolarHBondContact O-N 2.81Å; K300-T304 PolarHBondContact O-OG1 3.24Å
301	E	54.9	Low	57.2	Low	136 Å²	136	77.1 Å²	77.1	64%	0.636	39%	0.389	S	S	*	.	H	α-helix	trans	-70.1	-39.6	-178.2	-57.2	177.4	167.7	0	0	110.9	N299 T304 L305	N299-E301 PolarHBondContact O-N 2.69Å; N299-E301 VanDerWaalsContact O-N 3.09Å; N299-E301 WeakPolarHBondContact OD1-CB 3.36Å; N299-E301 PolarHBondContact OD1-N 2.7Å; E301-T304 PolarHBondContact O-N 2.83Å; E301-L305 WeakPolarHBondContact O-CB 3.42Å; E301-L305 WeakPolarHBondContact O-CG 3.18Å; E301-L305 PolarHBondContact O-N 2.99Å
302	A	58.4	Low	56.6	Low	3 Å²	3	79.5 Å²	79.5	3%	0.025	40%	0.399	C	S	.	.	H	α-helix	trans	-67.9	-37.2	174.8	0	0	0	0	0	112.2	L291 N299 L305 I306	L291-A302 HydrophobicContact CD2-CB 3.67Å; N299-A302 HydrophobicContact CB-CB 4.36Å; N299-A302 PolarHBondContact O-N 3.23Å; N299-A302 VanDerWaalsContact O-N 3.07Å; A302-L305 WeakPolarHBondContact O-CB 3.44Å; A302-L305 PolarHBondContact O-N 3.08Å; A302-I306 WeakPolarHBondContact O-CD1 3.02Å; A302-I306 WeakPolarHBondContact O-CG1 3.46Å; A302-I306 PolarHBondContact O-N 3.45Å; A302-I306 VanDerWaalsContact O-N 3.1Å
303	Q	63.9	Low	56.6	Low	79 Å²	79	76.7 Å²	76.7	37%	0.369	39%	0.386	S	S	.	.	H	α-helix	trans	-65.3	-46.5	172.6	-64.7	177.3	-7.1	0	0	111.3	L291 A297 N299 K300 L305 I306 E307	L291-Q303 HydrophobicContact CD1-CG 4.43Å; L291-Q303 HydrophobicContact CD2-CG 4.26Å; A297-Q303 PolarHBondContact O-NE2 3.33Å; N299-Q303 PolarHBondContact O-N 2.79Å; K300-Q303 PolarHBondContact O-N 3.27Å; Q303-L305 VanDerWaalsContact C-N 3.29Å; Q303-L305 PolarHBondContact O-N 3.34Å; Q303-I306 PolarHBondContact O-N 2.9Å; Q303-I306 VanDerWaalsContact O-N 3.13Å; Q303-E307 WeakPolarHBondContact O-CG 3.49Å; Q303-E307 PolarHBondContact O-N 3.39Å
304	T	59.9	Low	56.8	Low	71 Å²	71	79.2 Å²	79.2	44%	0.436	39%	0.392	S	S	.	.	H	α-helix	trans	-60.8	-38	176.8	-53.7	0	0	0	0	111.4	K300 E301 E307 L308	K300-T304 WeakPolarHBondContact O-CB 3.48Å; K300-T304 PolarHBondContact O-N 2.81Å; K300-T304 PolarHBondContact O-OG1 3.24Å; E301-T304 PolarHBondContact O-N 2.83Å; T304-E307 PolarHBondContact O-N 2.92Å; T304-L308 HydrophobicContact CG2-CD1 4.03Å; T304-L308 HydrophobicContact CG2-CG 4.36Å; T304-L308 WeakPolarHBondContact O-CB 3.43Å; T304-L308 VanDerWaalsContact O-CG 3.29Å; T304-L308 WeakPolarHBondContact O-CG 3.39Å; T304-L308 PolarHBondContact O-N 2.9Å
305	L	60.2	Low	56.8	Low	30 Å²	30	74.8 Å²	74.8	16%	0.157	38%	0.381	C	S	.	.	H	α-helix	trans	-60.8	-46.6	172.3	-88.1	171.3	0	0	0	113	E301 A302 Q303 E307 L308 L309 H340	E301-L305 WeakPolarHBondContact O-CB 3.42Å; E301-L305 WeakPolarHBondContact O-CG 3.18Å; E301-L305 PolarHBondContact O-N 2.99Å; A302-L305 WeakPolarHBondContact O-CB 3.44Å; A302-L305 PolarHBondContact O-N 3.08Å; Q303-L305 VanDerWaalsContact C-N 3.29Å; Q303-L305 PolarHBondContact O-N 3.34Å; L305-E307 VanDerWaalsContact C-N 3.28Å; L305-E307 PolarHBondContact O-N 3.27Å; L305-L308 PolarHBondContact O-N 3.43Å; L305-L309 WeakPolarHBondContact O-CB 3.26Å; L305-L309 PolarHBondContact O-N 2.84Å; L305-H340 HydrophobicContact CD1-CB 3.85Å; L305-H340 HydrophobicContact CD2-CB 4.28Å
306	I	67	Low	56.9	Low	7 Å²	7	69.9 Å²	69.9	4%	0.036	36%	0.358	C	S	.	.	H	α-helix	trans	-63	-38.5	178	-69.9	158.9	0	0	0	110.3	R283 T287 L290 L291 A302 Q303 Y310	R283-I306 HydrophobicContact CG-CG2 3.99Å; T287-I306 WeakPolarHBondContact OG1-CG2 3.5Å; L290-I306 HydrophobicContact CB-CD1 4.24Å; L290-I306 HydrophobicContact CD1-CG1 4.01Å; L291-I306 HydrophobicContact CD1-CD1 3.73Å; L291-I306 HydrophobicContact CD2-CD1 3.99Å; L291-I306 HydrophobicContact CG-CD1 3.63Å; A302-I306 WeakPolarHBondContact O-CD1 3.02Å; A302-I306 WeakPolarHBondContact O-CG1 3.46Å; A302-I306 PolarHBondContact O-N 3.45Å; A302-I306 VanDerWaalsContact O-N 3.1Å; Q303-I306 PolarHBondContact O-N 2.9Å; Q303-I306 VanDerWaalsContact O-N 3.13Å; I306-Y310 WeakPolarHBondContact O-CB 3.48Å; I306-Y310 PolarHBondContact O-N 2.84Å
307	E	62.8	Low	56.8	Low	102 Å²	102	73.1 Å²	73.1	48%	0.477	38%	0.379	S	S	.	.	H	α-helix	trans	-71	-46	177.7	-69.7	-173.1	154.1	0	0	112.6	R283 Q303 T304 L305 L309 Y310 L311	R283-E307 IonicContact NH2-OE1 2.64Å; Q303-E307 WeakPolarHBondContact O-CG 3.49Å; Q303-E307 PolarHBondContact O-N 3.39Å; T304-E307 PolarHBondContact O-N 2.92Å; L305-E307 VanDerWaalsContact C-N 3.28Å; L305-E307 PolarHBondContact O-N 3.27Å; E307-L309 VanDerWaalsContact C-N 3.32Å; E307-L309 PolarHBondContact O-N 3.11Å; E307-Y310 PolarHBondContact O-N 2.94Å; E307-L311 WeakPolarHBondContact O-CB 3.47Å; E307-L311 VanDerWaalsContact O-CG 3.25Å; E307-L311 WeakPolarHBondContact O-CG 3.47Å; E307-L311 PolarHBondContact O-N 3.46Å
308	L	60.3	Low	56.4	Low	88 Å²	88	76.3 Å²	76.3	46%	0.461	39%	0.386	S	S	.	.	H	α-helix	trans	-60.1	-42.1	173.4	-74.6	171.4	0	0	0	111.9	T304 L305 L311 H312	T304-L308 HydrophobicContact CG2-CD1 4.03Å; T304-L308 HydrophobicContact CG2-CG 4.36Å; T304-L308 WeakPolarHBondContact O-CB 3.43Å; T304-L308 VanDerWaalsContact O-CG 3.29Å; T304-L308 WeakPolarHBondContact O-CG 3.39Å; T304-L308 PolarHBondContact O-N 2.9Å; L305-L308 PolarHBondContact O-N 3.43Å; L308-L311 PolarHBondContact O-N 2.88Å; L308-H312 VanDerWaalsContact O-CG 3.28Å; L308-H312 PolarHBondContact O-N 3.48Å; L308-H312 PolarHBondContact O-ND1 2.64Å
309	L	64.3	Low	56.5	Low	21 Å²	21	70.3 Å²	70.3	11%	0.11	36%	0.359	C	S	.	.	H	α-helix	trans	-67.7	-43.2	177.3	-176.1	144.5	0	0	0	111.3	F286 L305 E307 H312 L313 T332 L336	F286-L309 HydrophobicContact CB-CD2 4.33Å; F286-L309 HydrophobicContact CD1-CD1 4.26Å; F286-L309 HydrophobicContact CD1-CD2 4.17Å; F286-L309 HydrophobicContact CD2-CD2 3.3Å; F286-L309 HydrophobicContact CE1-CD1 4.28Å; F286-L309 HydrophobicContact CE1-CD2 4.4Å; F286-L309 HydrophobicContact CE2-CD2 3.6Å; F286-L309 HydrophobicContact CG-CD2 3.67Å; F286-L309 HydrophobicContact CZ-CD2 4.14Å; L305-L309 WeakPolarHBondContact O-CB 3.26Å; L305-L309 PolarHBondContact O-N 2.84Å; E307-L309 VanDerWaalsContact C-N 3.32Å; E307-L309 PolarHBondContact O-N 3.11Å; L309-H312 CarbonylContact O-C 3.56Å; L309-H312 WeakPolarHBondContact O-CA 3.2Å; L309-H312 WeakPolarHBondContact O-CB 3.15Å; L309-H312 PolarHBondContact O-N 3.26Å; L309-H312 VanDerWaalsContact O-N 3.15Å; L309-L313 HydrophobicContact CD2-CD1 3.49Å; L309-L313 VanDerWaalsContact CD2-CD1 3.49Å; L309-L313 HydrophobicContact CD2-CG 4.01Å; L309-L313 VanDerWaalsContact O-CG 3.32Å; L309-L313 WeakPolarHBondContact O-CG 3.41Å; L309-L313 PolarHBondContact O-N 3.46Å; L309-T332 HydrophobicContact CD1-CG2 4.4Å; L309-L336 HydrophobicContact CD1-CD1 3.21Å
310	Y	65.4	Low	55.9	Low	35 Å²	35	69 Å²	69	14%	0.137	36%	0.355	C	S	.	.	H	α-helix	trans	-61.9	-42.3	174.9	174.3	-119.2	0	0	0	112.1	P279 D280 R283 I306 E307 H312 L313 Q314	P279-Y310 HydrophobicContact CB-CD2 4.32Å; P279-Y310 HydrophobicContact CB-CE2 4.08Å; D280-Y310 WeakPolarHBondContact OD1-CE2 3.34Å; D280-Y310 PolarHBondContact OD1-OH 3Å; R283-Y310 HydrophobicContact CB-CD2 3.64Å; R283-Y310 HydrophobicContact CB-CE2 4.06Å; R283-Y310 HydrophobicContact CB-CG 4.28Å; R283-Y310 HydrophobicContact CG-CD2 3.93Å; R283-Y310 HydrophobicContact CG-CE2 4.45Å; R283-Y310 HydrophobicContact CG-CG 4.08Å; I306-Y310 WeakPolarHBondContact O-CB 3.48Å; I306-Y310 PolarHBondContact O-N 2.84Å; E307-Y310 PolarHBondContact O-N 2.94Å; Y310-H312 VanDerWaalsContact C-N 3.31Å; Y310-H312 PolarHBondContact O-N 3.35Å; Y310-L313 CarbonylContact O-C 3.54Å; Y310-L313 PolarHBondContact O-N 2.64Å; Y310-L313 VanDerWaalsContact O-N 3.13Å; Y310-Q314 HydrophobicContact CD2-CG 4.43Å; Y310-Q314 HydrophobicContact CE2-CG 4.27Å; Y310-Q314 WeakPolarHBondContact O-CG 3.46Å; Y310-Q314 PolarHBondContact O-N 2.72Å; Y310-Q314 PolarHBondContact OH-NE2 3.14Å
311	L	57.4	Low	55.3	Low	95 Å²	95	64.6 Å²	64.6	50%	0.497	35%	0.349	S	S	.	.	H	α-helix	trans	-60.9	-38.4	171.9	-73.5	171.3	0	0	0	112	E307 L308 Q314 S315	E307-L311 WeakPolarHBondContact O-CB 3.47Å; E307-L311 VanDerWaalsContact O-CG 3.25Å; E307-L311 WeakPolarHBondContact O-CG 3.47Å; E307-L311 PolarHBondContact O-N 3.46Å; L308-L311 PolarHBondContact O-N 2.88Å; L311-Q314 PolarHBondContact O-N 3.31Å; L311-S315 WeakPolarHBondContact O-CB 3.47Å; L311-S315 PolarHBondContact O-N 3.5Å; L311-S315 VanDerWaalsContact O-N 3.09Å; L311-S315 PolarHBondContact O-OG 3.25Å
312	H	54.2	Low	55.1	Low	93 Å²	93	59.4 Å²	59.4	43%	0.431	33%	0.329	S	S	.	.	H	α-helix	trans	-67.9	-36.9	171.3	-68.9	156.9	0	0	0	112.8	L308 L309 Y310 Q314 S315 E316 L319	L308-H312 VanDerWaalsContact O-CG 3.28Å; L308-H312 PolarHBondContact O-N 3.48Å; L308-H312 PolarHBondContact O-ND1 2.64Å; L309-H312 CarbonylContact O-C 3.56Å; L309-H312 WeakPolarHBondContact O-CA 3.2Å; L309-H312 WeakPolarHBondContact O-CB 3.15Å; L309-H312 PolarHBondContact O-N 3.26Å; L309-H312 VanDerWaalsContact O-N 3.15Å; Y310-H312 VanDerWaalsContact C-N 3.31Å; Y310-H312 PolarHBondContact O-N 3.35Å; H312-Q314 VanDerWaalsContact C-N 3.29Å; H312-Q314 PolarHBondContact O-N 3.34Å; H312-S315 PolarHBondContact O-N 3.08Å; H312-E316 WeakPolarHBondContact O-CB 3.5Å; H312-E316 PolarHBondContact O-N 2.75Å; H312-L319 HydrophobicContact CB-CD2 4.35Å
313	L	58	Low	55	Low	4 Å²	4	59.3 Å²	59.3	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-69.3	-26.3	173.4	-62.9	172.5	0	0	0	112.8	P279 Q282 F286 L309 Y310 L319 A320 C323	P279-L313 HydrophobicContact CB-CB 4.38Å; Q282-L313 HydrophobicContact CB-CD1 3.68Å; F286-L313 HydrophobicContact CD2-CD1 4.13Å; F286-L313 HydrophobicContact CE2-CD1 3.86Å; L309-L313 HydrophobicContact CD2-CD1 3.49Å; L309-L313 VanDerWaalsContact CD2-CD1 3.49Å; L309-L313 HydrophobicContact CD2-CG 4.01Å; L309-L313 VanDerWaalsContact O-CG 3.32Å; L309-L313 WeakPolarHBondContact O-CG 3.41Å; L309-L313 PolarHBondContact O-N 3.46Å; Y310-L313 CarbonylContact O-C 3.54Å; Y310-L313 PolarHBondContact O-N 2.64Å; Y310-L313 VanDerWaalsContact O-N 3.13Å; L313-L319 HydrophobicContact CD2-CB 4.4Å; L313-L319 HydrophobicContact CD2-CD2 3.97Å; L313-L319 HydrophobicContact CD2-CG 3.77Å; L313-A320 WeakPolarHBondContact O-CB 3.47Å; L313-C323 HydrophobicContact CD2-CB 3.94Å
314	Q	54.6	Low	54.8	Low	105 Å²	105	58.1 Å²	58.1	49%	0.491	32%	0.322	S	S	.	.	H	α-helix	trans	-80.3	-20	173	-72.2	-175.2	-29.1	0	0	113.6	P279 Y310 L311 H312	P279-Q314 HydrophobicContact CB-CG 4.22Å; P279-Q314 HydrophobicContact CG-CG 4.49Å; Y310-Q314 HydrophobicContact CD2-CG 4.43Å; Y310-Q314 HydrophobicContact CE2-CG 4.27Å; Y310-Q314 WeakPolarHBondContact O-CG 3.46Å; Y310-Q314 PolarHBondContact O-N 2.72Å; Y310-Q314 PolarHBondContact OH-NE2 3.14Å; L311-Q314 PolarHBondContact O-N 3.31Å; H312-Q314 VanDerWaalsContact C-N 3.29Å; H312-Q314 PolarHBondContact O-N 3.34Å
315	S	44.1	Very low	54.5	Low	88 Å²	88	57 Å²	57	62%	0.615	31%	0.313	S	S	*	.	H	α-helix	trans	-115.3	-30.1	-173.8	55.8	0	0	0	0	115.4	L311 H312	L311-S315 WeakPolarHBondContact O-CB 3.47Å; L311-S315 PolarHBondContact O-N 3.5Å; L311-S315 VanDerWaalsContact O-N 3.09Å; L311-S315 PolarHBondContact O-OG 3.25Å; H312-S315 PolarHBondContact O-N 3.08Å
316	E	46.9	Very low	54.6	Low	58 Å²	58	56.3 Å²	56.3	27%	0.271	31%	0.311	S	S	.	.			trans	-100.8	103.4	175.5	-76.6	-126.7	114	0	0	111.8	H312 Q318 L319 A320 R678	H312-E316 WeakPolarHBondContact O-CB 3.5Å; H312-E316 PolarHBondContact O-N 2.75Å; E316-Q318 PolarHBondContact O-N 3.22Å; E316-Q318 VanDerWaalsContact O-N 3.13Å; E316-L319 HydrophobicContact CB-CB 4.31Å; E316-L319 PolarHBondContact O-N 3.38Å; E316-A320 WeakPolarHBondContact O-CB 3.48Å; E316-A320 PolarHBondContact O-N 2.93Å; E316-A320 VanDerWaalsContact O-N 3.08Å; E316-R678 IonicContact OE1-CZ 3.63Å; E316-R678 IonicContact OE1-NH2 3.43Å; E316-R678 PolarHBondContact OE1-NH2 3.27Å
317	S	46.4	Very low	54.1	Low	92 Å²	92	58.7 Å²	58.7	64%	0.643	33%	0.328	S	S	*	.	H	α-helix	trans	-57.7	-27.2	175.5	59.1	0	0	0	0	114	A321	S317-A321 WeakPolarHBondContact O-CB 3.36Å; S317-A321 PolarHBondContact O-N 2.76Å
318	Q	40.8	Very low	53.9	Low	115 Å²	115	58.5 Å²	58.5	54%	0.537	32%	0.323	S	S	.	.	H	α-helix	trans	-74.9	-46.3	-179.8	-69.5	-176.6	-33.5	0	0	112.5	E316 A321 A322	E316-Q318 PolarHBondContact O-N 3.22Å; E316-Q318 VanDerWaalsContact O-N 3.13Å; Q318-A321 PolarHBondContact O-N 2.72Å; Q318-A322 PolarHBondContact O-N 3.33Å
319	L	48.8	Very low	54	Low	44 Å²	44	54.3 Å²	54.3	23%	0.23	30%	0.301	C	S	.	.	H	α-helix	trans	-68.3	-40.9	176.4	-173.4	65.4	0	0	0	110.8	H312 L313 E316 A321 A322 C323 Y328	H312-L319 HydrophobicContact CB-CD2 4.35Å; L313-L319 HydrophobicContact CD2-CB 4.4Å; L313-L319 HydrophobicContact CD2-CD2 3.97Å; L313-L319 HydrophobicContact CD2-CG 3.77Å; E316-L319 HydrophobicContact CB-CB 4.31Å; E316-L319 PolarHBondContact O-N 3.38Å; L319-A321 PolarHBondContact O-N 3.24Å; L319-A322 PolarHBondContact O-N 3.26Å; L319-C323 WeakPolarHBondContact O-CB 3.49Å; L319-C323 PolarHBondContact O-N 2.79Å; L319-C323 PolarHBondContact O-SG 2.75Å; L319-Y328 HydrophobicContact CD1-CE1 4.25Å
320	A	47	Very low	54.1	Low	20 Å²	20	57.3 Å²	57.3	17%	0.165	31%	0.311	C	S	.	.	H	α-helix	trans	-60.2	-43	174.7	0	0	0	0	0	112.6	Q282 L313 E316 A322 C323 F324	Q282-A320 PolarHBondContact NE2-O 3.28Å; L313-A320 WeakPolarHBondContact O-CB 3.47Å; E316-A320 WeakPolarHBondContact O-CB 3.48Å; E316-A320 PolarHBondContact O-N 2.93Å; E316-A320 VanDerWaalsContact O-N 3.08Å; A320-A322 VanDerWaalsContact C-N 3.33Å; A320-A322 PolarHBondContact O-N 2.86Å; A320-C323 PolarHBondContact O-N 2.75Å; A320-F324 PolarHBondContact O-N 3.26Å
321	A	46.4	Very low	53.7	Low	70 Å²	70	58.5 Å²	58.5	58%	0.579	32%	0.32	S	S	*	.	H	α-helix	trans	-71.7	-22.4	177.1	0	0	0	0	0	113.8	S317 Q318 L319 F324	S317-A321 WeakPolarHBondContact O-CB 3.36Å; S317-A321 PolarHBondContact O-N 2.76Å; Q318-A321 PolarHBondContact O-N 2.72Å; L319-A321 PolarHBondContact O-N 3.24Å; A321-F324 VanDerWaalsContact O-CB 3.26Å; A321-F324 WeakPolarHBondContact O-CB 3.31Å
322	A	49.4	Very low	53.9	Low	27 Å²	27	54.9 Å²	54.9	22%	0.223	30%	0.302	C	S	.	.	H	α-helix	trans	-80.3	-45.6	171.1	0	0	0	0	0	111.4	Q318 L319 A320 F324 L325 Y328	Q318-A322 PolarHBondContact O-N 3.33Å; L319-A322 PolarHBondContact O-N 3.26Å; A320-A322 VanDerWaalsContact C-N 3.33Å; A320-A322 PolarHBondContact O-N 2.86Å; A322-F324 PolarHBondContact O-N 2.96Å; A322-F324 VanDerWaalsContact O-N 3.14Å; A322-L325 PolarHBondContact O-N 2.94Å; A322-Y328 HydrophobicContact CB-CD1 3.6Å; A322-Y328 HydrophobicContact CB-CD2 4.4Å; A322-Y328 HydrophobicContact CB-CE1 3.51Å; A322-Y328 HydrophobicContact CB-CE2 4.32Å; A322-Y328 HydrophobicContact CB-CG 4.06Å; A322-Y328 WeakPolarHBondContact O-CB 3.3Å
323	C	57.2	Low	54.2	Low	1 Å²	1	51 Å²	51	1%	0.007	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-7.8	174.1	-71.9	0	0	0	0	114.1	Q282 L313 L319 A320 L325 C329	Q282-C323 HydrophobicContact CG-CB 4.24Å; Q282-C323 VanDerWaalsContact NE2-C 3.33Å; Q282-C323 PolarHBondContact NE2-O 2.7Å; L313-C323 HydrophobicContact CD2-CB 3.94Å; L319-C323 WeakPolarHBondContact O-CB 3.49Å; L319-C323 PolarHBondContact O-N 2.79Å; L319-C323 PolarHBondContact O-SG 2.75Å; A320-C323 PolarHBondContact O-N 2.75Å; C323-L325 PolarHBondContact O-N 2.69Å; C323-C329 VanDerWaalsContact CB-SG 3.57Å; C323-C329 PolarHBondContact O-SG 2.96Å
324	F	59.3	Low	54.2	Low	55 Å²	55	51.7 Å²	51.7	24%	0.241	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-34.6	159.2	177.1	-90.7	0	0	0	112.2	T132 C274 G275 F276 N277 A320 A321 A322 P326	T132-F324 HydrophobicContact CG2-CE1 4.35Å; C274-F324 HydrophobicContact CB-CE2 4.12Å; C274-F324 HydrophobicContact CB-CZ 4.15Å; C274-F324 WeakPolarHBondContact O-CD2 3.45Å; C274-F324 WeakPolarHBondContact O-CE2 3.31Å; C274-F324 VanDerWaalsContact O-CZ 3.31Å; C274-F324 WeakPolarHBondContact O-CZ 3.01Å; G275-F324 CarbonylContact C-O 3.53Å; G275-F324 WeakPolarHBondContact CA-O 3.26Å; F276-F324 PolarHBondContact N-O 3.43Å; F276-F324 WeakPolarHBondContact O-CA 3.42Å; N277-F324 HydrophobicContact CB-CD2 4.19Å; N277-F324 HydrophobicContact CB-CE2 4.16Å; N277-F324 WeakPolarHBondContact OD1-CD2 3.47Å; N277-F324 WeakPolarHBondContact OD1-CE2 3.34Å; A320-F324 PolarHBondContact O-N 3.26Å; A321-F324 VanDerWaalsContact O-CB 3.26Å; A321-F324 WeakPolarHBondContact O-CB 3.31Å; A322-F324 PolarHBondContact O-N 2.96Å; A322-F324 VanDerWaalsContact O-N 3.14Å; F324-P326 WeakPolarHBondContact O-CD 3.35Å
325	L	53.2	Low	54.2	Low	47 Å²	47	48 Å²	48	25%	0.246	28%	0.276	C	S	.	.	S	Bend	trans	-90.9	118.4	176.3	-61.1	-179.8	0	0	0	111.3	V130 T132 A322 C323 S327 Y328 C329	V130-L325 WeakPolarHBondContact O-CD2 3.4Å; T132-L325 HydrophobicContact CG2-CD2 3.63Å; A322-L325 PolarHBondContact O-N 2.94Å; C323-L325 PolarHBondContact O-N 2.69Å; L325-S327 PolarHBondContact O-N 3.49Å; L325-S327 VanDerWaalsContact O-N 3.1Å; L325-Y328 WeakPolarHBondContact O-CA 3.45Å; L325-Y328 WeakPolarHBondContact O-CB 3.41Å; L325-Y328 PolarHBondContact O-N 2.89Å; L325-C329 PolarHBondContact O-N 3.23Å; L325-C329 VanDerWaalsContact O-N 3.07Å
326	P	63.4	Low	54.7	Low	16 Å²	16	46 Å²	46	10%	0.104	26%	0.258	C	S	.	.	H	α-helix	trans	-53.6	-30.5	173.8	-29.6	35.4	0	0	0	114.6	G131 F276 F324 Y328 C329 W330	G131-P326 WeakPolarHBondContact O-CD 3.33Å; F276-P326 HydrophobicContact CD1-CG 4.28Å; F276-P326 HydrophobicContact CD2-CB 4.21Å; F276-P326 HydrophobicContact CD2-CG 3.91Å; F276-P326 HydrophobicContact CE1-CG 4.01Å; F276-P326 HydrophobicContact CE2-CB 3.58Å; F276-P326 HydrophobicContact CE2-CG 3.64Å; F276-P326 HydrophobicContact CG-CG 4.23Å; F276-P326 HydrophobicContact CZ-CB 3.8Å; F276-P326 HydrophobicContact CZ-CG 3.68Å; F324-P326 WeakPolarHBondContact O-CD 3.35Å; P326-Y328 VanDerWaalsContact C-N 3.33Å; P326-C329 PolarHBondContact O-N 2.91Å; P326-W330 PolarHBondContact O-N 3.16Å
327	S	55.7	Low	54.9	Low	57 Å²	57	47 Å²	47	40%	0.399	26%	0.262	S	S	.	.	H	α-helix	trans	-66.8	-31.3	173.1	57.3	0	0	0	0	113.4	G131 L325 L331	G131-S327 VanDerWaalsContact CA-OG 3.26Å; G131-S327 WeakPolarHBondContact CA-OG 3.45Å; L325-S327 PolarHBondContact O-N 3.49Å; L325-S327 VanDerWaalsContact O-N 3.1Å; S327-L331 PolarHBondContact O-N 3.21Å; S327-L331 VanDerWaalsContact O-N 3.08Å
328	Y	58.8	Low	55	Low	97 Å²	97	44.9 Å²	44.9	38%	0.38	24%	0.242	S	C	.	.	H	α-helix	trans	-78.3	-36.6	174.8	-163.3	-89.4	0	0	0	111.1	L319 A322 L325 P326 W330 L331 T332	L319-Y328 HydrophobicContact CD1-CE1 4.25Å; A322-Y328 HydrophobicContact CB-CD1 3.6Å; A322-Y328 HydrophobicContact CB-CD2 4.4Å; A322-Y328 HydrophobicContact CB-CE1 3.51Å; A322-Y328 HydrophobicContact CB-CE2 4.32Å; A322-Y328 HydrophobicContact CB-CG 4.06Å; A322-Y328 WeakPolarHBondContact O-CB 3.3Å; L325-Y328 WeakPolarHBondContact O-CA 3.45Å; L325-Y328 WeakPolarHBondContact O-CB 3.41Å; L325-Y328 PolarHBondContact O-N 2.89Å; P326-Y328 VanDerWaalsContact C-N 3.33Å; Y328-W330 VanDerWaalsContact C-N 3.33Å; Y328-W330 PolarHBondContact O-N 2.8Å; Y328-L331 PolarHBondContact O-N 3.38Å; Y328-T332 WeakPolarHBondContact CE1-OG1 3.18Å; Y328-T332 VanDerWaalsContact O-CB 3.23Å; Y328-T332 WeakPolarHBondContact O-CB 3.23Å; Y328-T332 PolarHBondContact O-N 2.9Å; Y328-T332 PolarHBondContact O-OG1 3.48Å
329	C	62.5	Low	55.1	Low	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.6	-43.4	167.7	-70.5	0	0	0	0	112	F276 Y285 F286 C323 L325 P326 T332 C333	F276-C329 HydrophobicContact CD2-CB 4.41Å; F276-C329 HydrophobicContact CE2-CB 4.35Å; Y285-C329 HydrophobicContact CD1-CB 3.57Å; Y285-C329 HydrophobicContact CE1-CB 3.66Å; Y285-C329 HydrophobicContact CG-CB 4.34Å; F286-C329 HydrophobicContact CE1-CB 4.37Å; F286-C329 HydrophobicContact CE2-CB 4.46Å; F286-C329 HydrophobicContact CZ-CB 3.9Å; C323-C329 VanDerWaalsContact CB-SG 3.57Å; C323-C329 PolarHBondContact O-SG 2.96Å; L325-C329 PolarHBondContact O-N 3.23Å; L325-C329 VanDerWaalsContact O-N 3.07Å; P326-C329 PolarHBondContact O-N 2.91Å; C329-T332 PolarHBondContact O-N 3.18Å; C329-C333 PolarHBondContact O-N 3.29Å; C329-C333 PolarHBondContact O-SG 2.86Å; C329-C333 VanDerWaalsContact O-SG 3.34Å
330	W	65.6	Low	54.9	Low	85 Å²	85	46 Å²	46	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-59.8	-49.9	174.4	178	84.4	0	0	0	112.3	Y285 P326 Y328 T332 C333 A334 F358	Y285-W330 WeakPolarHBondContact OH-CB 3.46Å; P326-W330 PolarHBondContact O-N 3.16Å; Y328-W330 VanDerWaalsContact C-N 3.33Å; Y328-W330 PolarHBondContact O-N 2.8Å; W330-T332 PolarHBondContact O-N 3.05Å; W330-C333 WeakPolarHBondContact O-CB 3.15Å; W330-C333 PolarHBondContact O-N 3.06Å; W330-A334 PolarHBondContact O-N 3.42Å; W330-F358 HydrophobicContact CH2-CE2 4.03Å; W330-F358 HydrophobicContact CZ3-CE2 4.39Å
331	L	58.5	Low	54.8	Low	60 Å²	60	50.3 Å²	50.3	31%	0.314	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-36.9	177.3	-175.6	65.1	0	0	0	111.6	S327 Y328 T335	S327-L331 PolarHBondContact O-N 3.21Å; S327-L331 VanDerWaalsContact O-N 3.08Å; Y328-L331 PolarHBondContact O-N 3.38Å; L331-T335 VanDerWaalsContact O-CB 3.24Å; L331-T335 WeakPolarHBondContact O-CB 3.26Å; L331-T335 PolarHBondContact O-N 3.32Å; L331-T335 PolarHBondContact O-OG1 3.03Å
332	T	60.8	Low	54.4	Low	19 Å²	19	48.4 Å²	48.4	12%	0.117	24%	0.244	C	C	.	.	H	α-helix	trans	-68.4	-44.5	175.9	-59.6	0	0	0	0	111.3	F286 L309 Y328 C329 W330 A334 T335 L336	F286-T332 HydrophobicContact CE1-CG2 3.81Å; F286-T332 HydrophobicContact CZ-CG2 4.05Å; L309-T332 HydrophobicContact CD1-CG2 4.4Å; Y328-T332 WeakPolarHBondContact CE1-OG1 3.18Å; Y328-T332 VanDerWaalsContact O-CB 3.23Å; Y328-T332 WeakPolarHBondContact O-CB 3.23Å; Y328-T332 PolarHBondContact O-N 2.9Å; Y328-T332 PolarHBondContact O-OG1 3.48Å; C329-T332 PolarHBondContact O-N 3.18Å; W330-T332 PolarHBondContact O-N 3.05Å; T332-A334 PolarHBondContact O-N 3.39Å; T332-T335 PolarHBondContact O-N 2.91Å; T332-L336 HydrophobicContact CG2-CD1 3.64Å; T332-L336 HydrophobicContact CG2-CG 4.29Å; T332-L336 WeakPolarHBondContact O-CB 3.41Å; T332-L336 WeakPolarHBondContact O-CD1 3.27Å; T332-L336 VanDerWaalsContact O-CG 3.23Å; T332-L336 WeakPolarHBondContact O-CG 3.46Å; T332-L336 PolarHBondContact O-N 3.46Å
333	C	61.4	Low	53.8	Low	11 Å²	11	51.6 Å²	51.6	7%	0.074	26%	0.261	C	S	.	.	H	α-helix	trans	-56.2	-51.1	171.9	-74.9	0	0	0	0	111.5	F286 C329 W330 T335 L336 H337	F286-C333 WeakPolarHBondContact CD1-SG 3.42Å; F286-C333 VanDerWaalsContact CE1-SG 3.59Å; C329-C333 PolarHBondContact O-N 3.29Å; C329-C333 PolarHBondContact O-SG 2.86Å; C329-C333 VanDerWaalsContact O-SG 3.34Å; W330-C333 WeakPolarHBondContact O-CB 3.15Å; W330-C333 PolarHBondContact O-N 3.06Å; C333-T335 PolarHBondContact O-N 3.47Å; C333-L336 PolarHBondContact O-N 3.35Å; C333-H337 VanDerWaalsContact O-CB 3.31Å; C333-H337 WeakPolarHBondContact O-CB 3.39Å; C333-H337 PolarHBondContact O-N 3.1Å
334	A	57	Low	52.8	Low	18 Å²	18	57.8 Å²	57.8	15%	0.149	30%	0.299	C	S	.	.	H	α-helix	trans	-60.2	-46.7	178.6	0	0	0	0	0	111.2	W330 T332 L336 H337 F338	W330-A334 PolarHBondContact O-N 3.42Å; T332-A334 PolarHBondContact O-N 3.39Å; A334-L336 PolarHBondContact O-N 3.47Å; A334-H337 WeakPolarHBondContact O-CB 3.28Å; A334-H337 PolarHBondContact O-N 3.01Å; A334-F338 WeakPolarHBondContact O-CD2 3.43Å; A334-F338 PolarHBondContact O-N 3.42Å
335	T	54	Low	51.8	Low	29 Å²	29	63.7 Å²	63.7	18%	0.178	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-40.3	-179.7	-56.3	0	0	0	0	112.1	L331 T332 C333 F338 L339 I354	L331-T335 VanDerWaalsContact O-CB 3.24Å; L331-T335 WeakPolarHBondContact O-CB 3.26Å; L331-T335 PolarHBondContact O-N 3.32Å; L331-T335 PolarHBondContact O-OG1 3.03Å; T332-T335 PolarHBondContact O-N 2.91Å; C333-T335 PolarHBondContact O-N 3.47Å; T335-F338 CarbonylContact O-C 3.54Å; T335-F338 WeakPolarHBondContact O-CA 3.3Å; T335-F338 PolarHBondContact O-N 2.8Å; T335-F338 VanDerWaalsContact O-N 3.12Å; T335-L339 HydrophobicContact CG2-CD1 3.75Å; T335-L339 HydrophobicContact CG2-CG 4.2Å; T335-L339 WeakPolarHBondContact O-CB 3.44Å; T335-L339 VanDerWaalsContact O-CG 3.29Å; T335-L339 WeakPolarHBondContact O-CG 3.42Å; T335-L339 PolarHBondContact O-N 2.92Å; T335-I354 HydrophobicContact CG2-CD1 3.8Å; T335-I354 HydrophobicContact CG2-CG1 4.36Å; T335-I354 HydrophobicContact CG2-CG2 4.16Å
336	L	54.5	Low	51.2	Low	45 Å²	45	62.4 Å²	62.4	24%	0.236	32%	0.323	C	S	.	.	H	α-helix	trans	-69.2	-37	176.3	-71.4	166.2	0	0	0	112.4	L309 T332 C333 A334 F338 L339 H340	L309-L336 HydrophobicContact CD1-CD1 3.21Å; T332-L336 HydrophobicContact CG2-CD1 3.64Å; T332-L336 HydrophobicContact CG2-CG 4.29Å; T332-L336 WeakPolarHBondContact O-CB 3.41Å; T332-L336 WeakPolarHBondContact O-CD1 3.27Å; T332-L336 VanDerWaalsContact O-CG 3.23Å; T332-L336 WeakPolarHBondContact O-CG 3.46Å; T332-L336 PolarHBondContact O-N 3.46Å; C333-L336 PolarHBondContact O-N 3.35Å; A334-L336 PolarHBondContact O-N 3.47Å; L336-F338 PolarHBondContact O-N 2.79Å; L336-L339 PolarHBondContact O-N 3.18Å; L336-H340 PolarHBondContact O-N 3.46Å
337	H	52.1	Low	50.1	Low	79 Å²	79	66.1 Å²	66.1	37%	0.366	35%	0.347	S	S	.	.	H	α-helix	trans	-59.1	-33	169.9	-169.3	-75.3	0	0	0	111.3	C333 A334 F341	C333-H337 VanDerWaalsContact O-CB 3.31Å; C333-H337 WeakPolarHBondContact O-CB 3.39Å; C333-H337 PolarHBondContact O-N 3.1Å; A334-H337 WeakPolarHBondContact O-CB 3.28Å; A334-H337 PolarHBondContact O-N 3.01Å; H337-F341 AromaticContact CD2-CD2 3.89Å; H337-F341 AromaticContact CD2-CE2 3.92Å
338	F	47.6	Very low	49.7	Very low	48 Å²	48	64.8 Å²	64.8	21%	0.211	34%	0.335	C	S	.	.	H	α-helix	trans	-87	-6.4	172	-68.2	-57.3	0	0	0	116.1	F63 A334 T335 L336 T342 L361	F63-F338 HydrophobicContact CE1-CZ 4.42Å; A334-F338 WeakPolarHBondContact O-CD2 3.43Å; A334-F338 PolarHBondContact O-N 3.42Å; T335-F338 CarbonylContact O-C 3.54Å; T335-F338 WeakPolarHBondContact O-CA 3.3Å; T335-F338 PolarHBondContact O-N 2.8Å; T335-F338 VanDerWaalsContact O-N 3.12Å; L336-F338 PolarHBondContact O-N 2.79Å; F338-T342 WeakPolarHBondContact O-CG2 3.33Å; F338-T342 PolarHBondContact O-OG1 3.33Å; F338-T342 VanDerWaalsContact O-OG1 3.11Å; F338-L361 HydrophobicContact CE1-CD1 3.97Å; F338-L361 HydrophobicContact CE2-CD1 3.73Å; F338-L361 HydrophobicContact CZ-CD1 3.23Å
339	L	43.9	Very low	49.7	Very low	73 Å²	73	65.8 Å²	65.8	38%	0.382	34%	0.339	S	S	.	.	H	α-helix	trans	-113	-16.5	-178.7	-75.2	179.5	0	0	0	114.5	T335 L336 T342 I354	T335-L339 HydrophobicContact CG2-CD1 3.75Å; T335-L339 HydrophobicContact CG2-CG 4.2Å; T335-L339 WeakPolarHBondContact O-CB 3.44Å; T335-L339 VanDerWaalsContact O-CG 3.29Å; T335-L339 WeakPolarHBondContact O-CG 3.42Å; T335-L339 PolarHBondContact O-N 2.92Å; L336-L339 PolarHBondContact O-N 3.18Å; L339-T342 WeakPolarHBondContact CA-OG1 3.48Å; L339-T342 PolarHBondContact O-OG1 2.96Å; L339-I354 HydrophobicContact CD1-CD1 4.49Å; L339-I354 HydrophobicContact CD2-CD1 4.48Å
340	H	43.5	Very low	49.9	Very low	108 Å²	108	65.9 Å²	65.9	50%	0.5	34%	0.339	S	S	.	.	H	α-helix	trans	-122	-29.9	-177.3	-134.8	85.1	0	0	0	115.6	L305 L336 T342	L305-H340 HydrophobicContact CD1-CB 3.85Å; L305-H340 HydrophobicContact CD2-CB 4.28Å; L336-H340 PolarHBondContact O-N 3.46Å; H340-T342 PolarHBondContact N-OG1 3.32Å; H340-T342 PolarHBondContact O-N 3.33Å
341	F	45.9	Very low	49.8	Very low	111 Å²	111	64.8 Å²	64.8	49%	0.487	34%	0.339	S	S	.	.	S	Bend	trans	-72.9	-9.8	162.3	-66.4	-68.4	0	0	0	111.9	H337 T343	H337-F341 AromaticContact CD2-CD2 3.89Å; H337-F341 AromaticContact CD2-CE2 3.92Å; F341-T343 PolarHBondContact O-N 3.5Å
342	T	37.4	Very low	50.3	Low	31 Å²	31	61.9 Å²	61.9	19%	0.19	32%	0.324	C	S	.	.	S	Bend	trans	-79.6	101	159	49.1	0	0	0	0	110	F338 L339 H340 A346	F338-T342 WeakPolarHBondContact O-CG2 3.33Å; F338-T342 PolarHBondContact O-OG1 3.33Å; F338-T342 VanDerWaalsContact O-OG1 3.11Å; L339-T342 WeakPolarHBondContact CA-OG1 3.48Å; L339-T342 PolarHBondContact O-OG1 2.96Å; H340-T342 PolarHBondContact N-OG1 3.32Å; H340-T342 PolarHBondContact O-N 3.33Å; T342-A346 VanDerWaalsContact CB-CB 3.46Å; T342-A346 HydrophobicContact CG2-CB 3.81Å
343	T	36.7	Very low	50.7	Low	94 Å²	94	61 Å²	61	58%	0.577	32%	0.318	S	S	*	.			trans	-59.4	173.4	172.6	63.8	0	0	0	0	112.2	F341 Q345 A346	F341-T343 PolarHBondContact O-N 3.5Å; T343-Q345 PolarHBondContact O-N 3.1Å; T343-A346 WeakPolarHBondContact O-CB 3.38Å; T343-A346 PolarHBondContact O-N 2.84Å
344	T	37.5	Very low	50.8	Low	130 Å²	130	62 Å²	62	80%	0.798	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-9.5	177	51.1	0	0	0	0	115.2	R349	T344-R349 PolarHBondContact O-NH2 3.07Å
345	Q	37.6	Very low	51.4	Low	179 Å²	179	62.9 Å²	62.9	84%	0.836	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-7.6	174.8	-61.8	-176.1	-5.5	0	0	114.3	T343	T343-Q345 PolarHBondContact O-N 3.1Å
346	A	39.9	Very low	52.3	Low	20 Å²	20	61.5 Å²	61.5	17%	0.165	31%	0.314	C	S	.	.			trans	-88	157.9	-168.1	0	0	0	0	0	114.2	T342 T343	T342-A346 VanDerWaalsContact CB-CB 3.46Å; T342-A346 HydrophobicContact CG2-CB 3.81Å; T343-A346 WeakPolarHBondContact O-CB 3.38Å; T343-A346 PolarHBondContact O-N 2.84Å
347	P	41.3	Very low	52.7	Low	94 Å²	94	59.8 Å²	59.8	61%	0.61	31%	0.306	S	S	*	.	S	Bend	trans	-98.8	-2.5	-148.7	36.7	-36.9	0	0	0	117
348	I	47.3	Very low	53.4	Low	30 Å²	30	58.1 Å²	58.1	15%	0.154	30%	0.297	C	S	.	.			trans	-108.2	115.5	-176.7	-59.3	156.3	0	0	0	108.6	I354 S357	I348-I354 HydrophobicContact CG2-CG1 4.34Å; I348-S357 VanDerWaalsContact CD1-OG 3.28Å; I348-S357 WeakPolarHBondContact CD1-OG 3.41Å
349	R	59.3	Low	54.6	Low	118 Å²	118	55.8 Å²	55.8	45%	0.445	29%	0.287	S	S	.	.			trans	-139.7	1.8	-176.6	-58.8	-172.8	-178.3	-166	-2.2	114.5	T344 Y654	T344-R349 PolarHBondContact O-NH2 3.07Å; R349-Y654 WeakPolarHBondContact O-CE1 3.46Å; R349-Y654 PolarHBondContact O-OH 3.36Å
350	T	65.1	Low	55.7	Low	1 Å²	1	57.1 Å²	57.1	1%	0.006	29%	0.287	C	S	.	.	S	Bend	trans	-116.3	146.7	-172.3	43.9	0	0	0	0	110.7	T352 G353 I354 Q603 Y654 E655 Q657	T350-T352 PolarHBondContact O-N 3.43Å; T350-G353 CarbonylContact O-C 3.59Å; T350-G353 WeakPolarHBondContact O-CA 3.49Å; T350-G353 PolarHBondContact O-N 3.33Å; T350-G353 PolarHBondContact OG1-N 3.47Å; T350-I354 PolarHBondContact O-N 2.76Å; T350-Q603 PolarHBondContact OG1-OE1 2.94Å; T350-Q603 VanDerWaalsContact OG1-OE1 3.07Å; T350-Y654 HydrophobicContact CG2-CD1 4.45Å; T350-Y654 HydrophobicContact CG2-CE1 3.96Å; T350-E655 WeakPolarHBondContact CA-OE1 3.24Å; T350-E655 WeakPolarHBondContact CB-OE1 3.41Å; T350-E655 WeakPolarHBondContact CG2-OE1 3.34Å; T350-Q657 HydrophobicContact CG2-CG 3.46Å; T350-Q657 VanDerWaalsContact CG2-CG 3.46Å
351	L	65.1	Low	56.5	Low	62 Å²	62	54.4 Å²	54.4	33%	0.325	28%	0.276	S	S	.	.	H	α-helix	trans	-53.9	-45.6	172.6	178.5	65	0	0	0	109.9	G353 I354 Y355 L593 I596 F597 E655	L351-G353 VanDerWaalsContact C-N 3.29Å; L351-G353 PolarHBondContact O-N 3.4Å; L351-I354 PolarHBondContact O-N 3.25Å; L351-Y355 HydrophobicContact CD1-CD2 4.22Å; L351-Y355 HydrophobicContact CD1-CE2 3.9Å; L351-Y355 WeakPolarHBondContact O-CD2 3.35Å; L351-Y355 PolarHBondContact O-N 2.99Å; L351-Y355 VanDerWaalsContact O-N 3.14Å; L351-L593 HydrophobicContact CD2-CD2 4.22Å; L351-I596 HydrophobicContact CD2-CG2 4.26Å; L351-F597 HydrophobicContact CD2-CE1 4.2Å; L351-F597 HydrophobicContact CD2-CZ 4.31Å; L351-F597 HydrophobicContact CG-CE1 4Å; L351-F597 HydrophobicContact CG-CZ 4.42Å; L351-E655 PolarHBondContact N-OE1 3.46Å; L351-E655 PolarHBondContact N-OE2 3.14Å
352	T	69.4	Low	57.2	Low	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-35.2	175	-48.1	0	0	0	0	112.4	T350 T356 Y474 F597 G600 L601 E655	T350-T352 PolarHBondContact O-N 3.43Å; T352-T356 VanDerWaalsContact O-CB 3.3Å; T352-T356 WeakPolarHBondContact O-CB 3.26Å; T352-T356 PolarHBondContact O-N 3.2Å; T352-T356 PolarHBondContact O-OG1 3.33Å; T352-Y474 HydrophobicContact CG2-CE2 4.06Å; T352-F597 HydrophobicContact CG2-CD1 4.14Å; T352-G600 VanDerWaalsContact CG2-C 3.48Å; T352-L601 HydrophobicContact CG2-CB 4.46Å; T352-L601 HydrophobicContact CG2-CD2 3.71Å; T352-L601 HydrophobicContact CG2-CG 3.66Å; T352-E655 VanDerWaalsContact CB-OE2 3.26Å; T352-E655 WeakPolarHBondContact CB-OE2 3.44Å; T352-E655 PolarHBondContact N-OE2 3.39Å; T352-E655 PolarHBondContact OG1-OE2 2.76Å
353	G	67.4	Low	58.6	Low	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.3	-33.1	175.5	0	0	0	0	0	113.8	T350 L351 S357 N606	T350-G353 CarbonylContact O-C 3.59Å; T350-G353 WeakPolarHBondContact O-CA 3.49Å; T350-G353 PolarHBondContact O-N 3.33Å; T350-G353 PolarHBondContact OG1-N 3.47Å; L351-G353 VanDerWaalsContact C-N 3.29Å; L351-G353 PolarHBondContact O-N 3.4Å; G353-S357 VanDerWaalsContact O-CB 3.24Å; G353-S357 WeakPolarHBondContact O-CB 3.17Å; G353-S357 PolarHBondContact O-N 3.23Å; G353-S357 PolarHBondContact O-OG 2.77Å; G353-N606 VanDerWaalsContact CA-OD1 3.3Å; G353-N606 WeakPolarHBondContact CA-OD1 3.05Å
354	I	64.1	Low	59.5	Low	32 Å²	32	47.5 Å²	47.5	16%	0.164	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-52.1	172.2	-67	159.8	0	0	0	109.6	T335 L339 I348 T350 L351 T356 S357 F358	T335-I354 HydrophobicContact CG2-CD1 3.8Å; T335-I354 HydrophobicContact CG2-CG1 4.36Å; T335-I354 HydrophobicContact CG2-CG2 4.16Å; L339-I354 HydrophobicContact CD1-CD1 4.49Å; L339-I354 HydrophobicContact CD2-CD1 4.48Å; I348-I354 HydrophobicContact CG2-CG1 4.34Å; T350-I354 PolarHBondContact O-N 2.76Å; L351-I354 PolarHBondContact O-N 3.25Å; I354-T356 PolarHBondContact O-N 2.91Å; I354-S357 PolarHBondContact O-N 3.14Å; I354-F358 WeakPolarHBondContact O-CB 3.08Å; I354-F358 PolarHBondContact O-N 3.35Å
355	Y	69.6	Low	60.2	Low	37 Å²	37	44.8 Å²	44.8	15%	0.145	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-42.1	177.4	-83.1	-107.2	0	0	0	112	L351 S357 F358 F359 A470 L471 Y474 F597	L351-Y355 HydrophobicContact CD1-CD2 4.22Å; L351-Y355 HydrophobicContact CD1-CE2 3.9Å; L351-Y355 WeakPolarHBondContact O-CD2 3.35Å; L351-Y355 PolarHBondContact O-N 2.99Å; L351-Y355 VanDerWaalsContact O-N 3.14Å; Y355-S357 PolarHBondContact O-N 3.26Å; Y355-F358 WeakPolarHBondContact O-CB 3.34Å; Y355-F358 PolarHBondContact O-N 3.37Å; Y355-F359 WeakPolarHBondContact O-CD2 3.26Å; Y355-F359 PolarHBondContact O-N 3.22Å; Y355-A470 HydrophobicContact CE1-CB 4.29Å; Y355-A470 WeakPolarHBondContact OH-CB 3.25Å; Y355-L471 HydrophobicContact CD1-CD2 3.78Å; Y355-L471 HydrophobicContact CE1-CD2 3.63Å; Y355-L471 HydrophobicContact CE1-CG 4.23Å; Y355-Y474 VanDerWaalsContact CB-CD2 3.49Å; Y355-Y474 VanDerWaalsContact CB-CE2 3.49Å; Y355-Y474 HydrophobicContact CD1-CD2 4.27Å; Y355-Y474 HydrophobicContact CD1-CG 4.3Å; Y355-Y474 HydrophobicContact CG-CD2 4.11Å; Y355-F597 HydrophobicContact CD2-CE1 4.03Å; Y355-F597 HydrophobicContact CD2-CZ 4.25Å; Y355-F597 HydrophobicContact CE1-CZ 4.49Å; Y355-F597 HydrophobicContact CE2-CE1 4.42Å; Y355-F597 HydrophobicContact CE2-CZ 4.22Å; Y355-F597 HydrophobicContact CG-CE1 4.16Å; Y355-F597 HydrophobicContact CG-CZ 4.4Å
356	T	73.1	Confident	61	Low	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-39.2	177.6	-52.3	0	0	0	0	112.1	T352 I354 F359 R360 Y474 N606 L609 L610	T352-T356 VanDerWaalsContact O-CB 3.3Å; T352-T356 WeakPolarHBondContact O-CB 3.26Å; T352-T356 PolarHBondContact O-N 3.2Å; T352-T356 PolarHBondContact O-OG1 3.33Å; I354-T356 PolarHBondContact O-N 2.91Å; T356-F359 PolarHBondContact O-N 3.47Å; T356-R360 WeakPolarHBondContact O-CB 3.27Å; T356-R360 PolarHBondContact O-N 3.38Å; T356-Y474 WeakPolarHBondContact CA-OH 3.4Å; T356-Y474 WeakPolarHBondContact CB-OH 3.43Å; T356-Y474 PolarHBondContact OG1-OH 3.46Å; T356-N606 HydrophobicContact CG2-CB 4.38Å; T356-L609 HydrophobicContact CG2-CB 3.7Å; T356-L609 HydrophobicContact CG2-CD1 4.11Å; T356-L610 HydrophobicContact CG2-CD2 3.89Å; T356-L610 HydrophobicContact CG2-CG 3.84Å
357	S	62.8	Low	61.2	Low	8 Å²	8	44.4 Å²	44.4	6%	0.056	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-39.6	174.7	-59.7	0	0	0	0	112.1	I348 G353 I354 Y355 R360 L361	I348-S357 VanDerWaalsContact CD1-OG 3.28Å; I348-S357 WeakPolarHBondContact CD1-OG 3.41Å; G353-S357 VanDerWaalsContact O-CB 3.24Å; G353-S357 WeakPolarHBondContact O-CB 3.17Å; G353-S357 PolarHBondContact O-N 3.23Å; G353-S357 PolarHBondContact O-OG 2.77Å; I354-S357 PolarHBondContact O-N 3.14Å; Y355-S357 PolarHBondContact O-N 3.26Å; S357-R360 WeakPolarHBondContact O-CB 3.19Å; S357-R360 PolarHBondContact O-N 3.22Å; S357-L361 WeakPolarHBondContact O-CD1 3.24Å; S357-L361 WeakPolarHBondContact O-CG 3.48Å; S357-L361 PolarHBondContact O-N 2.78Å; S357-L361 VanDerWaalsContact O-N 3.08Å
358	F	67.6	Low	61.3	Low	44 Å²	44	43.3 Å²	43.3	19%	0.193	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-46.3	173.3	173.8	-102.5	0	0	0	111.6	W330 I354 Y355 R360 L361 N362 F440	W330-F358 HydrophobicContact CH2-CE2 4.03Å; W330-F358 HydrophobicContact CZ3-CE2 4.39Å; I354-F358 WeakPolarHBondContact O-CB 3.08Å; I354-F358 PolarHBondContact O-N 3.35Å; Y355-F358 WeakPolarHBondContact O-CB 3.34Å; Y355-F358 PolarHBondContact O-N 3.37Å; F358-R360 PolarHBondContact O-N 3.25Å; F358-L361 PolarHBondContact O-N 2.97Å; F358-N362 WeakPolarHBondContact CE2-ND2 3.35Å; F358-N362 PolarHBondContact O-N 2.97Å; F358-N362 VanDerWaalsContact O-N 3.16Å; F358-N362 PolarHBondContact O-ND2 2.79Å; F358-F440 HydrophobicContact CE1-CE1 4.15Å; F358-F440 AromaticContact CE1-CZ 3.59Å; F358-F440 HydrophobicContact CE1-CZ 3.59Å; F358-F440 HydrophobicContact CZ-CE1 4.5Å; F358-F440 HydrophobicContact CZ-CE2 4.19Å; F358-F440 AromaticContact CZ-CZ 3.56Å; F358-F440 HydrophobicContact CZ-CZ 3.56Å
359	F	71.8	Confident	60.8	Low	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-40.7	174	-77	-60.9	0	0	0	113	Y355 T356 L361 N362 F363 M386 F440 F441 L471 Y474 L475 L613	Y355-F359 WeakPolarHBondContact O-CD2 3.26Å; Y355-F359 PolarHBondContact O-N 3.22Å; T356-F359 PolarHBondContact O-N 3.47Å; F359-L361 PolarHBondContact O-N 3.16Å; F359-N362 PolarHBondContact O-N 3.09Å; F359-F363 AromaticContact CD1-CD2 3.85Å; F359-F363 HydrophobicContact CD1-CD2 3.85Å; F359-F363 AromaticContact CD1-CE2 3.77Å; F359-F363 HydrophobicContact CD1-CE2 3.77Å; F359-F363 HydrophobicContact CE1-CE2 4.12Å; F359-F363 PolarHBondContact O-N 3.22Å; F359-M386 HydrophobicContact CB-CE 4Å; F359-M386 HydrophobicContact CB-SD 4.43Å; F359-M386 HydrophobicContact CD1-CE 3.41Å; F359-M386 VanDerWaalsContact CD1-CE 3.41Å; F359-M386 HydrophobicContact CD1-SD 3.73Å; F359-M386 HydrophobicContact CD2-CE 4.09Å; F359-M386 HydrophobicContact CE1-CE 3.87Å; F359-M386 HydrophobicContact CE1-SD 4.34Å; F359-M386 HydrophobicContact CE2-CE 4.47Å; F359-M386 HydrophobicContact CG-CE 3.54Å; F359-M386 HydrophobicContact CG-SD 4.26Å; F359-M386 HydrophobicContact CZ-CE 4.35Å; F359-F440 HydrophobicContact CE1-CE1 4.41Å; F359-F441 AromaticContact CE1-CE1 3.53Å; F359-F441 HydrophobicContact CE1-CE1 3.53Å; F359-F441 AromaticContact CE1-CZ 3.71Å; F359-F441 HydrophobicContact CE1-CZ 3.71Å; F359-F441 AromaticContact CZ-CE1 3.89Å; F359-F441 HydrophobicContact CZ-CE1 3.89Å; F359-F441 HydrophobicContact CZ-CZ 4.49Å; F359-L471 HydrophobicContact CE2-CD2 4.13Å; F359-L471 HydrophobicContact CZ-CD2 3.68Å; F359-Y474 AromaticContact CD2-CD1 3.94Å; F359-Y474 HydrophobicContact CD2-CD1 3.94Å; F359-Y474 AromaticContact CD2-CE1 3.31Å; F359-Y474 HydrophobicContact CD2-CE1 3.31Å; F359-Y474 AromaticContact CD2-CZ 3.7Å; F359-Y474 AromaticContact CE2-CD1 3.32Å; F359-Y474 HydrophobicContact CE2-CD1 3.32Å; F359-Y474 AromaticContact CE2-CE1 3.22Å; F359-Y474 HydrophobicContact CE2-CE1 3.22Å; F359-Y474 HydrophobicContact CE2-CG 4.12Å; F359-Y474 AromaticContact CE2-CZ 3.95Å; F359-Y474 HydrophobicContact CG-CE1 4.44Å; F359-Y474 HydrophobicContact CZ-CD1 4.19Å; F359-Y474 HydrophobicContact CZ-CE1 4.29Å; F359-L475 HydrophobicContact CZ-CD2 4.17Å; F359-L613 HydrophobicContact CB-CD1 3.96Å
360	R	68	Low	59.5	Low	100 Å²	100	45.1 Å²	45.1	38%	0.377	28%	0.275	S	S	.	.	H	α-helix	trans	-58.1	-36	175.9	179.5	-179	176.7	-93.3	-4.8	112.6	T356 S357 F358 G364 L609 Q612 L613	T356-R360 WeakPolarHBondContact O-CB 3.27Å; T356-R360 PolarHBondContact O-N 3.38Å; S357-R360 WeakPolarHBondContact O-CB 3.19Å; S357-R360 PolarHBondContact O-N 3.22Å; F358-R360 PolarHBondContact O-N 3.25Å; R360-G364 WeakPolarHBondContact O-CA 3.4Å; R360-G364 PolarHBondContact O-N 2.92Å; R360-L609 VanDerWaalsContact CD-CD2 3.48Å; R360-Q612 VanDerWaalsContact CZ-OE1 3.28Å; R360-L613 HydrophobicContact CB-CD1 4.4Å
361	L	60.3	Low	58	Low	52 Å²	52	56.5 Å²	56.5	27%	0.272	32%	0.318	S	S	.	.	H	α-helix	trans	-77.6	-42.5	-178.8	-69.1	158.4	0	0	0	112.4	F338 S357 F358 F359	F338-L361 HydrophobicContact CE1-CD1 3.97Å; F338-L361 HydrophobicContact CE2-CD1 3.73Å; F338-L361 HydrophobicContact CZ-CD1 3.23Å; S357-L361 WeakPolarHBondContact O-CD1 3.24Å; S357-L361 WeakPolarHBondContact O-CG 3.48Å; S357-L361 PolarHBondContact O-N 2.78Å; S357-L361 VanDerWaalsContact O-N 3.08Å; F358-L361 PolarHBondContact O-N 2.97Å; F359-L361 PolarHBondContact O-N 3.16Å
362	N	59.7	Low	56.7	Low	43 Å²	43	60.5 Å²	60.5	23%	0.23	35%	0.345	C	S	.	.	H	α-helix	trans	-74	-35	-178.9	-69.4	-86.5	0	0	0	112.7	F358 F359	F358-N362 WeakPolarHBondContact CE2-ND2 3.35Å; F358-N362 PolarHBondContact O-N 2.97Å; F358-N362 VanDerWaalsContact O-N 3.16Å; F358-N362 PolarHBondContact O-ND2 2.79Å; F359-N362 PolarHBondContact O-N 3.09Å
363	F	67.9	Low	55.1	Low	12 Å²	12	63.5 Å²	63.5	5%	0.053	38%	0.376	C	S	.	.	H	α-helix	trans	-122.9	-4.3	-171	-55.4	-81.5	0	0	0	114.9	F359 G365 E366 M386 V437 F440 F441 L613	F359-F363 AromaticContact CD1-CD2 3.85Å; F359-F363 HydrophobicContact CD1-CD2 3.85Å; F359-F363 AromaticContact CD1-CE2 3.77Å; F359-F363 HydrophobicContact CD1-CE2 3.77Å; F359-F363 HydrophobicContact CE1-CE2 4.12Å; F359-F363 PolarHBondContact O-N 3.22Å; F363-G365 VanDerWaalsContact C-N 3.27Å; F363-G365 PolarHBondContact O-N 3.19Å; F363-E366 PolarHBondContact O-N 3.18Å; F363-M386 HydrophobicContact CB-CB 3.91Å; F363-M386 HydrophobicContact CB-SD 4.48Å; F363-M386 HydrophobicContact CD2-SD 3.9Å; F363-M386 HydrophobicContact CE2-SD 4.41Å; F363-M386 HydrophobicContact CG-CB 4.44Å; F363-M386 HydrophobicContact CG-SD 4.2Å; F363-V437 HydrophobicContact CE1-CG1 3.8Å; F363-V437 HydrophobicContact CE1-CG2 4.28Å; F363-V437 HydrophobicContact CZ-CG1 4.21Å; F363-F440 HydrophobicContact CE2-CE1 4.01Å; F363-F440 HydrophobicContact CE2-CZ 4.27Å; F363-F440 HydrophobicContact CZ-CD1 4.24Å; F363-F440 HydrophobicContact CZ-CE1 4.06Å; F363-F440 HydrophobicContact CZ-CZ 4.43Å; F363-F441 HydrophobicContact CE2-CZ 4.04Å; F363-F441 AromaticContact CZ-CE2 3.98Å; F363-F441 HydrophobicContact CZ-CE2 3.98Å; F363-F441 AromaticContact CZ-CZ 3.89Å; F363-F441 HydrophobicContact CZ-CZ 3.89Å; F363-L613 HydrophobicContact CB-CD2 3.88Å
364	G	54.8	Low	53.5	Low	36 Å²	36	70.2 Å²	70.2	37%	0.371	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-4	-177.2	0	0	0	0	0	115.6	R360	R360-G364 WeakPolarHBondContact O-CA 3.4Å; R360-G364 PolarHBondContact O-N 2.92Å
365	G	52	Low	51.9	Low	72 Å²	72	73.9 Å²	73.9	74%	0.742	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-9.3	171.9	0	0	0	0	0	114.2	F363 V367	F363-G365 VanDerWaalsContact C-N 3.27Å; F363-G365 PolarHBondContact O-N 3.19Å; G365-V367 PolarHBondContact O-N 2.86Å
366	E	54.3	Low	50.6	Low	72 Å²	72	78.4 Å²	78.4	34%	0.336	48%	0.479	S	S	.	.			trans	-96.8	69.4	-164.1	-61.3	-170.2	120.3	0	0	113.3	F363 L385	F363-E366 PolarHBondContact O-N 3.18Å; E366-L385 WeakPolarHBondContact OE2-CD2 3.5Å
367	V	44.2	Very low	48.6	Very low	119 Å²	119	83.7 Å²	83.7	72%	0.721	52%	0.516	S	S	*	.			trans	-93.7	116.9	158.6	-178.1	0	0	0	0	107.9	G365 G369	G365-V367 PolarHBondContact O-N 2.86Å; V367-G369 PolarHBondContact O-N 2.9Å
368	L	44.1	Very low	47.2	Very low	72 Å²	72	87.7 Å²	87.7	38%	0.377	54%	0.544	S	S	.	.			trans	-75.2	61.8	-175.4	-71.3	170.8	0	0	0	112.9	T370	L368-T370 PolarHBondContact O-N 2.95Å; L368-T370 VanDerWaalsContact O-N 3.12Å
369	G	36.3	Very low	45.7	Very low	63 Å²	63	94.3 Å²	94.3	65%	0.649	58%	0.576	S	S	*	*			trans	-80.8	82.3	-176.9	0	0	0	0	0	114.1	V367	V367-G369 PolarHBondContact O-N 2.9Å
370	T	32.4	Very low	44	Very low	122 Å²	122	101.7 Å²	101.7	75%	0.748	61%	0.61	S	S	*	*			trans	-105.8	86.8	170.1	60.9	0	0	0	0	113.5	L368	L368-T370 PolarHBondContact O-N 2.95Å; L368-T370 VanDerWaalsContact O-N 3.12Å
371	R	33.4	Very low	42.8	Very low	241 Å²	241	105 Å²	105	91%	0.909	63%	0.63	S	S	*	*				175.2	144.7	112.9	-96.1	165.7	179.5	160.3	3.1	114.4
372	T	38.1	Very low	42.4	Very low	145 Å²	145	107.8 Å²	107.8	89%	0.89	64%	0.641	S	S	*	*			trans	-66.3	123.1	157.3	49.4	0	0	0	0	110.6
373	G	34.6	Very low	42.3	Very low	64 Å²	64	107.7 Å²	107.7	66%	0.66	64%	0.644	S	S	*	*	S	Bend	trans	137.4	90	163.9	0	0	0	0	0	116.9
374	T	34.7	Very low	42.5	Very low	141 Å²	141	107.9 Å²	107.9	87%	0.865	65%	0.647	S	S	*	*			trans	37.5	88.9	145.1	56.3	0	0	0	0	119.5
375	S	29.5	Very low	43.4	Very low	108 Å²	108	106.5 Å²	106.5	76%	0.755	63%	0.631	S	S	*	*				168.2	147.7	119	46.9	0	0	0	0	111.9
376	P	42.8	Very low	44.8	Very low	132 Å²	132	103 Å²	103	86%	0.857	60%	0.595	S	S	*	*			trans	-105.8	96.4	-178.2	36.1	-28.4	0	0	0	113
377	S	32.1	Very low	46	Very low	111 Å²	111	102 Å²	102	78%	0.776	59%	0.588	S	S	*	*			trans	-158	49.1	178.1	68.7	0	0	0	0	118.1
378	S	32	Very low	47.7	Very low	92 Å²	92	97 Å²	97	64%	0.643	56%	0.557	S	S	*	*			trans	-163.6	149.4	152.2	50.2	0	0	0	0	111.1
379	Q	37.1	Very low	49.5	Very low	184 Å²	184	93.6 Å²	93.6	86%	0.86	54%	0.539	S	S	*	.			trans	-103.9	61.2	175.4	-73.7	-171.1	-58.7	0	0	111.5	H381	Q379-H381 PolarHBondContact O-ND1 3.46Å
380	E	36.3	Very low	51.8	Low	154 Å²	154	90.6 Å²	90.6	72%	0.72	51%	0.508	S	S	*	.			trans	-81.7	127.4	171.7	-71.8	171	143.1	0	0	109.4	Q382	E380-Q382 PolarHBondContact O-N 3.39Å; E380-Q382 VanDerWaalsContact O-N 3.1Å
381	H	42.5	Very low	54	Low	170 Å²	170	87.9 Å²	87.9	79%	0.787	49%	0.488	S	S	*	.			trans	-84.4	85.2	-170.1	-75.7	48.9	0	0	0	110.6	Q379 S383	Q379-H381 PolarHBondContact O-ND1 3.46Å; H381-S383 PolarHBondContact O-N 2.9Å; H381-S383 VanDerWaalsContact O-N 3.08Å
382	Q	51.3	Low	56.2	Low	111 Å²	111	77 Å²	77	52%	0.519	45%	0.449	S	S	.	.			trans	-60	110.8	170.9	-61.6	-165.7	-58.6	0	0	109.9	E380	E380-Q382 PolarHBondContact O-N 3.39Å; E380-Q382 VanDerWaalsContact O-N 3.1Å
383	S	57.3	Low	58.4	Low	41 Å²	41	70.1 Å²	70.1	29%	0.287	41%	0.406	S	S	.	.			trans	-90.5	145.9	-177.7	48.3	0	0	0	0	111.9	H381 Q429	H381-S383 PolarHBondContact O-N 2.9Å; H381-S383 VanDerWaalsContact O-N 3.08Å; S383-Q429 PolarHBondContact O-NE2 3.04Å; S383-Q429 VanDerWaalsContact O-NE2 3.12Å; S383-Q429 PolarHBondContact OG-NE2 3.05Å
384	S	72.3	Confident	60.8	Low	15 Å²	15	67 Å²	67	11%	0.105	38%	0.375	C	S	.	.			trans	-71.4	158.3	-178.8	83.2	0	0	0	0	112.5	M386 R387 Y388 L613 D614	S384-M386 VanDerWaalsContact C-N 3.27Å; S384-M386 PolarHBondContact O-N 2.87Å; S384-M386 PolarHBondContact OG-N 3.02Å; S384-R387 WeakPolarHBondContact O-CB 3.44Å; S384-R387 PolarHBondContact O-N 3.38Å; S384-R387 VanDerWaalsContact O-N 3.15Å; S384-R387 WeakPolarHBondContact OG-CB 3.01Å; S384-R387 PolarHBondContact OG-N 2.82Å; S384-Y388 PolarHBondContact O-N 3.47Å; S384-Y388 VanDerWaalsContact O-N 3.12Å; S384-L613 PolarHBondContact OG-O 3.14Å; S384-D614 PolarHBondContact N-OD2 3.23Å
385	L	75.3	Confident	63.1	Low	7 Å²	7	63.7 Å²	63.7	4%	0.037	35%	0.348	C	S	.	.	H	α-helix	trans	-62.7	-36	173.9	-169.7	57.5	0	0	0	111.7	E366 R387 Y388 V389 V432 F433 V437	E366-L385 WeakPolarHBondContact OE2-CD2 3.5Å; L385-R387 VanDerWaalsContact C-N 3.34Å; L385-R387 PolarHBondContact O-N 3.35Å; L385-Y388 WeakPolarHBondContact O-CB 3.45Å; L385-Y388 PolarHBondContact O-N 3.14Å; L385-V389 VanDerWaalsContact O-CG2 3.27Å; L385-V389 WeakPolarHBondContact O-CG2 3.34Å; L385-V389 PolarHBondContact O-N 3.01Å; L385-V432 HydrophobicContact CD1-CG1 4.47Å; L385-V432 HydrophobicContact CD2-CG1 3.82Å; L385-F433 HydrophobicContact CD1-CB 4.28Å; L385-V437 HydrophobicContact CD2-CG2 3.91Å
386	M	79.9	Confident	65.7	Low	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-37.9	173.9	-171.6	63.5	-171.4	0	0	112.5	F359 F363 S384 Y388 V389 V390 L475 L478 L613	F359-M386 HydrophobicContact CB-CE 4Å; F359-M386 HydrophobicContact CB-SD 4.43Å; F359-M386 HydrophobicContact CD1-CE 3.41Å; F359-M386 VanDerWaalsContact CD1-CE 3.41Å; F359-M386 HydrophobicContact CD1-SD 3.73Å; F359-M386 HydrophobicContact CD2-CE 4.09Å; F359-M386 HydrophobicContact CE1-CE 3.87Å; F359-M386 HydrophobicContact CE1-SD 4.34Å; F359-M386 HydrophobicContact CE2-CE 4.47Å; F359-M386 HydrophobicContact CG-CE 3.54Å; F359-M386 HydrophobicContact CG-SD 4.26Å; F359-M386 HydrophobicContact CZ-CE 4.35Å; F363-M386 HydrophobicContact CB-CB 3.91Å; F363-M386 HydrophobicContact CB-SD 4.48Å; F363-M386 HydrophobicContact CD2-SD 3.9Å; F363-M386 HydrophobicContact CE2-SD 4.41Å; F363-M386 HydrophobicContact CG-CB 4.44Å; F363-M386 HydrophobicContact CG-SD 4.2Å; S384-M386 VanDerWaalsContact C-N 3.27Å; S384-M386 PolarHBondContact O-N 2.87Å; S384-M386 PolarHBondContact OG-N 3.02Å; M386-Y388 VanDerWaalsContact C-N 3.31Å; M386-Y388 PolarHBondContact O-N 3.14Å; M386-V389 WeakPolarHBondContact O-CB 3.39Å; M386-V389 PolarHBondContact O-N 3.06Å; M386-V389 HydrophobicContact SD-CB 4.44Å; M386-V389 HydrophobicContact SD-CG1 4.34Å; M386-V390 HydrophobicContact CE-CG2 3.91Å; M386-V390 WeakPolarHBondContact O-CG2 3.13Å; M386-V390 PolarHBondContact O-N 3.23Å; M386-L475 HydrophobicContact CE-CD2 4.05Å; M386-L478 HydrophobicContact CE-CD2 4.02Å; M386-L613 HydrophobicContact CB-CB 4.23Å; M386-L613 HydrophobicContact CB-CD2 3.92Å; M386-L613 HydrophobicContact CG-CB 4.13Å; M386-L613 HydrophobicContact CG-CD1 4.24Å; M386-L613 HydrophobicContact CG-CD2 4.03Å; M386-L613 HydrophobicContact CG-CG 4.38Å
387	R	80.4	Confident	67.6	Low	50 Å²	50	52.3 Å²	52.3	19%	0.189	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-42.4	175.3	-175.2	64.7	165.8	141.7	8.8	110.6	S384 L385 V390 L391 E484 D614	S384-R387 WeakPolarHBondContact O-CB 3.44Å; S384-R387 PolarHBondContact O-N 3.38Å; S384-R387 VanDerWaalsContact O-N 3.15Å; S384-R387 WeakPolarHBondContact OG-CB 3.01Å; S384-R387 PolarHBondContact OG-N 2.82Å; L385-R387 VanDerWaalsContact C-N 3.34Å; L385-R387 PolarHBondContact O-N 3.35Å; R387-V390 PolarHBondContact O-N 3.48Å; R387-L391 HydrophobicContact CG-CD1 4.31Å; R387-L391 WeakPolarHBondContact O-CD1 3.29Å; R387-L391 VanDerWaalsContact O-CG 3.3Å; R387-L391 WeakPolarHBondContact O-CG 3.45Å; R387-L391 PolarHBondContact O-N 3.04Å; R387-L391 VanDerWaalsContact O-N 3.15Å; R387-E484 IonicContact CZ-OE1 2.68Å; R387-E484 IonicContact NH1-OE1 3.57Å; R387-E484 PolarHBondContact NH1-OE1 2.8Å; R387-E484 IonicContact NH2-OE1 2.72Å; R387-E484 PolarHBondContact NH2-OE1 2.7Å; R387-E484 IonicContact NH2-OE2 2.72Å; R387-D614 HydrophobicContact CB-CB 4.38Å; R387-D614 WeakPolarHBondContact CD-O 3.4Å
388	Y	78.8	Confident	70	Confident	15 Å²	15	48.2 Å²	48.2	6%	0.059	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-46	173.4	-172.1	-90.8	0	0	0	112.9	S384 L385 M386 V390 L391 T392 Q429 F433	S384-Y388 PolarHBondContact O-N 3.47Å; S384-Y388 VanDerWaalsContact O-N 3.12Å; L385-Y388 WeakPolarHBondContact O-CB 3.45Å; L385-Y388 PolarHBondContact O-N 3.14Å; M386-Y388 VanDerWaalsContact C-N 3.31Å; M386-Y388 PolarHBondContact O-N 3.14Å; Y388-V390 VanDerWaalsContact C-N 3.32Å; Y388-V390 PolarHBondContact O-N 3.48Å; Y388-L391 PolarHBondContact O-N 3.49Å; Y388-T392 HydrophobicContact CD1-CG2 4.3Å; Y388-T392 HydrophobicContact CE1-CG2 3.91Å; Y388-T392 PolarHBondContact O-N 3.15Å; Y388-T392 PolarHBondContact O-OG1 3Å; Y388-Q429 HydrophobicContact CD2-CB 3.87Å; Y388-Q429 HydrophobicContact CE2-CB 3.94Å; Y388-Q429 HydrophobicContact CG-CB 4.26Å; Y388-F433 HydrophobicContact CD1-CB 4.17Å; Y388-F433 HydrophobicContact CD1-CD2 4.21Å; Y388-F433 HydrophobicContact CD1-CG 4.05Å; Y388-F433 HydrophobicContact CE1-CB 3.94Å; Y388-F433 AromaticContact CE1-CD1 3.93Å; Y388-F433 HydrophobicContact CE1-CD1 3.93Å; Y388-F433 HydrophobicContact CE1-CD2 4.37Å; Y388-F433 AromaticContact CE1-CG 3.81Å; Y388-F433 HydrophobicContact CE1-CG 3.81Å
389	V	82.1	Confident	72.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-54.6	-45.9	175.2	165.9	0	0	0	0	111	L385 M386 T392 V393 G394 F433 V437 F441 L475	L385-V389 VanDerWaalsContact O-CG2 3.27Å; L385-V389 WeakPolarHBondContact O-CG2 3.34Å; L385-V389 PolarHBondContact O-N 3.01Å; M386-V389 WeakPolarHBondContact O-CB 3.39Å; M386-V389 PolarHBondContact O-N 3.06Å; M386-V389 HydrophobicContact SD-CB 4.44Å; M386-V389 HydrophobicContact SD-CG1 4.34Å; V389-T392 PolarHBondContact O-N 3.19Å; V389-T392 PolarHBondContact O-OG1 2.78Å; V389-V393 HydrophobicContact CG1-CB 4.29Å; V389-V393 HydrophobicContact CG1-CG2 4.3Å; V389-V393 WeakPolarHBondContact O-CA 3.45Å; V389-V393 VanDerWaalsContact O-CB 3.27Å; V389-V393 WeakPolarHBondContact O-CB 3.3Å; V389-V393 PolarHBondContact O-N 2.84Å; V389-G394 PolarHBondContact O-N 3.07Å; V389-F433 HydrophobicContact CG2-CD2 3.94Å; V389-F433 HydrophobicContact CG2-CE2 3.88Å; V389-V437 HydrophobicContact CG2-CG1 3.83Å; V389-F441 HydrophobicContact CB-CE2 4.39Å; V389-F441 HydrophobicContact CG1-CD2 4.11Å; V389-F441 HydrophobicContact CG1-CE1 4.31Å; V389-F441 HydrophobicContact CG1-CE2 3.43Å; V389-F441 VanDerWaalsContact CG1-CE2 3.43Å; V389-F441 HydrophobicContact CG1-CZ 3.55Å; V389-F441 HydrophobicContact CG2-CE2 3.97Å; V389-L475 HydrophobicContact CG1-CD2 4.45Å
390	V	84.1	Confident	74	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	I	π-helix	trans	-69.3	-39	-179.7	177.9	0	0	0	0	111.9	M386 R387 Y388 T392 G394 K395 L475 L478 Y479 L482	M386-V390 HydrophobicContact CE-CG2 3.91Å; M386-V390 WeakPolarHBondContact O-CG2 3.13Å; M386-V390 PolarHBondContact O-N 3.23Å; R387-V390 PolarHBondContact O-N 3.48Å; Y388-V390 VanDerWaalsContact C-N 3.32Å; Y388-V390 PolarHBondContact O-N 3.48Å; V390-T392 VanDerWaalsContact C-N 3.25Å; V390-T392 PolarHBondContact O-N 3.49Å; V390-G394 WeakPolarHBondContact O-CA 3.39Å; V390-G394 PolarHBondContact O-N 3.1Å; V390-K395 PolarHBondContact O-N 3.08Å; V390-L475 HydrophobicContact CG2-CD2 4.34Å; V390-L478 HydrophobicContact CG1-CB 4.47Å; V390-L478 HydrophobicContact CG1-CG 4.07Å; V390-L478 HydrophobicContact CG2-CD2 3.6Å; V390-L478 HydrophobicContact CG2-CG 3.92Å; V390-Y479 HydrophobicContact CG1-CD2 4.4Å; V390-Y479 VanDerWaalsContact O-CD2 3.31Å; V390-Y479 WeakPolarHBondContact O-CD2 3.45Å; V390-L482 HydrophobicContact CB-CD1 4.43Å; V390-L482 HydrophobicContact CG1-CD1 3.72Å
391	L	79.4	Confident	75.3	Confident	65 Å²	65	30.3 Å²	30.3	34%	0.34	15%	0.148	S	C	.	.	I	π-helix	trans	-65.6	-27	178.3	-73.9	167	0	0	0	113.4	R387 Y388 K395 E484	R387-L391 HydrophobicContact CG-CD1 4.31Å; R387-L391 WeakPolarHBondContact O-CD1 3.29Å; R387-L391 VanDerWaalsContact O-CG 3.3Å; R387-L391 WeakPolarHBondContact O-CG 3.45Å; R387-L391 PolarHBondContact O-N 3.04Å; R387-L391 VanDerWaalsContact O-N 3.15Å; Y388-L391 PolarHBondContact O-N 3.49Å; L391-K395 WeakPolarHBondContact O-CB 3.45Å; L391-E484 HydrophobicContact CD2-CB 4.14Å; L391-E484 HydrophobicContact CD2-CG 3.7Å
392	T	80.4	Confident	76.6	Confident	12 Å²	12	25.8 Å²	25.8	7%	0.074	13%	0.128	C	C	.	.	I	π-helix	trans	-103.8	-69.1	-178.2	53	0	0	0	0	112.2	Y388 V389 V390 K395 L396	Y388-T392 HydrophobicContact CD1-CG2 4.3Å; Y388-T392 HydrophobicContact CE1-CG2 3.91Å; Y388-T392 PolarHBondContact O-N 3.15Å; Y388-T392 PolarHBondContact O-OG1 3Å; V389-T392 PolarHBondContact O-N 3.19Å; V389-T392 PolarHBondContact O-OG1 2.78Å; V390-T392 VanDerWaalsContact C-N 3.25Å; V390-T392 PolarHBondContact O-N 3.49Å; T392-K395 WeakPolarHBondContact O-CB 3.43Å; T392-K395 PolarHBondContact O-N 2.87Å; T392-L396 PolarHBondContact O-N 3.42Å; T392-L396 VanDerWaalsContact O-N 3.14Å
393	V	84	Confident	77.5	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	I	π-helix	trans	-66.9	-42.2	-179.7	-171.7	0	0	0	0	111.5	V389 K395 L396 A397 F433 F441 F466 L475	V389-V393 HydrophobicContact CG1-CB 4.29Å; V389-V393 HydrophobicContact CG1-CG2 4.3Å; V389-V393 WeakPolarHBondContact O-CA 3.45Å; V389-V393 VanDerWaalsContact O-CB 3.27Å; V389-V393 WeakPolarHBondContact O-CB 3.3Å; V389-V393 PolarHBondContact O-N 2.84Å; V393-K395 PolarHBondContact O-N 2.92Å; V393-L396 WeakPolarHBondContact O-CB 3.33Å; V393-L396 PolarHBondContact O-N 3.27Å; V393-A397 VanDerWaalsContact O-CB 3.27Å; V393-A397 WeakPolarHBondContact O-CB 3.43Å; V393-A397 PolarHBondContact O-N 3.29Å; V393-F433 HydrophobicContact CG2-CE2 3.67Å; V393-F433 HydrophobicContact CG2-CZ 3.38Å; V393-F441 HydrophobicContact CG1-CB 4.04Å; V393-F441 HydrophobicContact CG1-CG 4.25Å; V393-F466 HydrophobicContact CG1-CE1 3.5Å; V393-F466 HydrophobicContact CG1-CZ 3.68Å; V393-L475 HydrophobicContact CG1-CD1 3.88Å
394	G	84.2	Confident	77.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-63.8	-29.1	177.6	0	0	0	0	0	113.5	V389 V390 Y398 L475	V389-G394 PolarHBondContact O-N 3.07Å; V390-G394 WeakPolarHBondContact O-CA 3.39Å; V390-G394 PolarHBondContact O-N 3.1Å; G394-Y398 WeakPolarHBondContact O-CB 3.49Å; G394-Y398 PolarHBondContact O-N 2.89Å; G394-L475 WeakPolarHBondContact CA-O 3.28Å
395	K	83.2	Confident	77.7	Confident	71 Å²	71	33.2 Å²	33.2	31%	0.309	15%	0.154	S	C	.	.	H	α-helix	trans	-72.1	-44.4	173.1	-171.6	178.9	-171	-173.6	0	112.6	V390 L391 T392 V393 A397 Y398 D399 W416 Y479	V390-K395 PolarHBondContact O-N 3.08Å; L391-K395 WeakPolarHBondContact O-CB 3.45Å; T392-K395 WeakPolarHBondContact O-CB 3.43Å; T392-K395 PolarHBondContact O-N 2.87Å; V393-K395 PolarHBondContact O-N 2.92Å; K395-A397 VanDerWaalsContact C-N 3.33Å; K395-Y398 PolarHBondContact O-N 3.43Å; K395-D399 PolarHBondContact O-N 2.79Å; K395-W416 HydrophobicContact CD-CE3 3.94Å; K395-W416 HydrophobicContact CD-CZ3 4.11Å; K395-W416 VanDerWaalsContact CE-CZ3 3.41Å; K395-W416 HydrophobicContact CG-CE3 4.37Å; K395-Y479 HydrophobicContact CB-CD1 4.33Å; K395-Y479 HydrophobicContact CB-CD2 4.14Å; K395-Y479 HydrophobicContact CB-CE1 3.99Å; K395-Y479 HydrophobicContact CB-CE2 3.8Å; K395-Y479 HydrophobicContact CB-CG 4.41Å; K395-Y479 HydrophobicContact CD-CE2 4.39Å; K395-Y479 HydrophobicContact CG-CE1 3.86Å; K395-Y479 HydrophobicContact CG-CE2 4.15Å
396	L	85.4	Confident	77.2	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-46.3	171.5	-176.7	76.4	0	0	0	110.7	T392 V393 Y398 D399 G400 F408 L413 W416 L442	T392-L396 PolarHBondContact O-N 3.42Å; T392-L396 VanDerWaalsContact O-N 3.14Å; V393-L396 WeakPolarHBondContact O-CB 3.33Å; V393-L396 PolarHBondContact O-N 3.27Å; L396-Y398 PolarHBondContact O-N 3.43Å; L396-D399 PolarHBondContact O-N 3.12Å; L396-G400 PolarHBondContact O-N 2.98Å; L396-F408 HydrophobicContact CD1-CB 4.11Å; L396-F408 HydrophobicContact CD1-CD1 3.47Å; L396-F408 VanDerWaalsContact CD1-CD1 3.47Å; L396-F408 HydrophobicContact CD1-CE1 3.97Å; L396-F408 HydrophobicContact CD1-CG 3.79Å; L396-F408 HydrophobicContact CD2-CD1 4.46Å; L396-F408 HydrophobicContact CD2-CD2 4.14Å; L396-F408 HydrophobicContact CD2-CG 4.12Å; L396-F408 HydrophobicContact CG-CD1 3.79Å; L396-F408 HydrophobicContact CG-CD2 4.24Å; L396-F408 HydrophobicContact CG-CE1 3.88Å; L396-F408 HydrophobicContact CG-CE2 4.37Å; L396-F408 HydrophobicContact CG-CG 3.95Å; L396-F408 HydrophobicContact CG-CZ 4.17Å; L396-F408 VanDerWaalsContact O-CE1 3.26Å; L396-F408 WeakPolarHBondContact O-CE1 3.31Å; L396-L413 HydrophobicContact CD2-CD1 4.07Å; L396-L413 HydrophobicContact CD2-CG 4.36Å; L396-W416 VanDerWaalsContact CD1-CD1 3.43Å; L396-W416 HydrophobicContact CD1-CG 4.23Å; L396-L442 HydrophobicContact CD2-CD1 3.66Å; L396-L442 HydrophobicContact CD2-CD2 4.45Å
397	A	82.6	Confident	76.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-46.2	178.6	0	0	0	0	0	111.9	V393 K395 G400 V401 F466 Q472 L475 A476	V393-A397 VanDerWaalsContact O-CB 3.27Å; V393-A397 WeakPolarHBondContact O-CB 3.43Å; V393-A397 PolarHBondContact O-N 3.29Å; K395-A397 VanDerWaalsContact C-N 3.33Å; A397-G400 PolarHBondContact O-N 2.79Å; A397-V401 WeakPolarHBondContact O-CG2 3.44Å; A397-V401 PolarHBondContact O-N 3.1Å; A397-F466 HydrophobicContact CB-CE1 4.17Å; A397-F466 HydrophobicContact CB-CE2 3.98Å; A397-F466 HydrophobicContact CB-CZ 3.5Å; A397-Q472 HydrophobicContact CB-CG 3.89Å; A397-Q472 WeakPolarHBondContact CB-O 3.44Å; A397-L475 HydrophobicContact CB-CB 4.16Å; A397-A476 HydrophobicContact CB-CB 4.09Å
398	Y	81.3	Confident	76.8	Confident	26 Å²	26	35.9 Å²	35.9	10%	0.102	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-46.7	176.5	172.3	-103.4	0	0	0	112.3	G394 K395 L396 G400 V401 M402 Y479 I480 A488 Y594	G394-Y398 WeakPolarHBondContact O-CB 3.49Å; G394-Y398 PolarHBondContact O-N 2.89Å; K395-Y398 PolarHBondContact O-N 3.43Å; L396-Y398 PolarHBondContact O-N 3.43Å; Y398-G400 VanDerWaalsContact C-N 3.29Å; Y398-G400 PolarHBondContact O-N 3.33Å; Y398-V401 PolarHBondContact O-N 3.46Å; Y398-M402 HydrophobicContact CD1-CG 4.33Å; Y398-M402 HydrophobicContact CD2-CE 4.34Å; Y398-M402 HydrophobicContact CD2-CG 3.93Å; Y398-M402 HydrophobicContact CD2-SD 4.45Å; Y398-M402 HydrophobicContact CE1-CG 3.83Å; Y398-M402 HydrophobicContact CE2-CE 3.81Å; Y398-M402 HydrophobicContact CE2-CG 3.36Å; Y398-M402 HydrophobicContact CE2-SD 3.51Å; Y398-M402 VanDerWaalsContact CE2-SD 3.51Å; Y398-M402 HydrophobicContact CG-CG 4.37Å; Y398-M402 VanDerWaalsContact O-CG 3.29Å; Y398-M402 WeakPolarHBondContact O-CG 3.49Å; Y398-M402 PolarHBondContact O-N 3.2Å; Y398-M402 WeakPolarHBondContact OH-CG 3.17Å; Y398-M402 PolarHBondContact OH-SD 3.35Å; Y398-M402 VanDerWaalsContact OH-SD 3.4Å; Y398-Y479 HydrophobicContact CD1-CD1 4.36Å; Y398-Y479 HydrophobicContact CD1-CE1 4.34Å; Y398-Y479 HydrophobicContact CG-CD1 4.17Å; Y398-I480 HydrophobicContact CD1-CD1 4.21Å; Y398-I480 HydrophobicContact CD2-CD1 3.68Å; Y398-I480 HydrophobicContact CD2-CG1 3.4Å; Y398-I480 VanDerWaalsContact CD2-CG1 3.4Å; Y398-I480 HydrophobicContact CE1-CD1 4.09Å; Y398-I480 HydrophobicContact CE2-CD1 3.56Å; Y398-I480 HydrophobicContact CE2-CG1 3.53Å; Y398-I480 HydrophobicContact CG-CD1 4.03Å; Y398-I480 HydrophobicContact CG-CG1 4.07Å; Y398-A488 HydrophobicContact CE1-CB 3.93Å; Y398-A488 VanDerWaalsContact OH-CB 3.28Å; Y398-A488 WeakPolarHBondContact OH-CB 3.47Å; Y398-Y594 HydrophobicContact CD2-CE2 4.5Å
399	D	81.3	Confident	76.9	Confident	39 Å²	39	35.6 Å²	35.6	21%	0.209	18%	0.178	C	C	.	.	H	α-helix	trans	-58.7	-42.9	175.1	-173.9	92.3	0	0	0	111.4	K395 L396 M402 N403 R405	K395-D399 PolarHBondContact O-N 2.79Å; L396-D399 PolarHBondContact O-N 3.12Å; D399-M402 PolarHBondContact O-N 3.35Å; D399-N403 VanDerWaalsContact O-CB 3.28Å; D399-N403 WeakPolarHBondContact O-CB 3.24Å; D399-N403 PolarHBondContact O-N 3.18Å; D399-N403 PolarHBondContact O-ND2 3.45Å; D399-N403 VanDerWaalsContact O-ND2 3.1Å; D399-N403 PolarHBondContact OD1-ND2 3.46Å; D399-N403 VanDerWaalsContact OD1-ND2 3.07Å; D399-N403 PolarHBondContact OD2-ND2 3.01Å; D399-R405 IonicContact OD2-CZ 2.72Å; D399-R405 IonicContact OD2-NE 3.84Å; D399-R405 IonicContact OD2-NH2 2.73Å; D399-R405 PolarHBondContact OD2-NH2 2.87Å
400	G	71.4	Confident	76.5	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.5	-49.5	175.1	0	0	0	0	0	113.2	L396 A397 Y398 M402 N403 K404 R405	L396-G400 PolarHBondContact O-N 2.98Å; A397-G400 PolarHBondContact O-N 2.79Å; Y398-G400 VanDerWaalsContact C-N 3.29Å; Y398-G400 PolarHBondContact O-N 3.33Å; G400-M402 PolarHBondContact O-N 3.38Å; G400-N403 CarbonylContact O-C 3.59Å; G400-N403 PolarHBondContact O-N 3.3Å; G400-K404 CarbonylContact O-C 3.34Å; G400-K404 WeakPolarHBondContact O-CA 3.14Å; G400-K404 PolarHBondContact O-N 3.41Å; G400-R405 CarbonylContact C-O 3.6Å; G400-R405 VanDerWaalsContact CA-O 3.3Å; G400-R405 WeakPolarHBondContact CA-O 3.33Å; G400-R405 PolarHBondContact O-N 3.08Å
401	V	65	Low	75.9	Confident	14 Å²	14	41.8 Å²	41.8	9%	0.085	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-45.5	178.5	175	0	0	0	0	111.2	A397 Y398 N403 K404 Q472 E473 A476 F591 Y594	A397-V401 WeakPolarHBondContact O-CG2 3.44Å; A397-V401 PolarHBondContact O-N 3.1Å; Y398-V401 PolarHBondContact O-N 3.46Å; V401-N403 PolarHBondContact O-N 3.36Å; V401-K404 PolarHBondContact O-N 2.87Å; V401-Q472 HydrophobicContact CG2-CG 4.16Å; V401-E473 HydrophobicContact CG2-CG 4.42Å; V401-A476 HydrophobicContact CB-CB 4.4Å; V401-A476 HydrophobicContact CG2-CB 3.86Å; V401-F591 HydrophobicContact CB-CD2 4.46Å; V401-F591 HydrophobicContact CB-CG 4.39Å; V401-F591 HydrophobicContact CG1-CB 3.95Å; V401-F591 HydrophobicContact CG1-CD2 4.43Å; V401-F591 HydrophobicContact CG1-CG 4.19Å; V401-F591 HydrophobicContact CG2-CB 4.41Å; V401-F591 HydrophobicContact CG2-CD1 3.96Å; V401-F591 HydrophobicContact CG2-CD2 4.42Å; V401-F591 HydrophobicContact CG2-CE1 4.32Å; V401-F591 HydrophobicContact CG2-CG 4Å; V401-Y594 HydrophobicContact CG1-CD1 4.07Å; V401-Y594 HydrophobicContact CG1-CD2 4.05Å; V401-Y594 HydrophobicContact CG1-CG 3.77Å
402	M	68.9	Low	75.6	Confident	75 Å²	75	40.6 Å²	40.6	37%	0.369	20%	0.199	S	C	.	.	H	α-helix	trans	-64.4	-37.8	179.7	-66.3	-62.9	96.3	0	0	113	Y398 D399 G400 Y594	Y398-M402 HydrophobicContact CD1-CG 4.33Å; Y398-M402 HydrophobicContact CD2-CE 4.34Å; Y398-M402 HydrophobicContact CD2-CG 3.93Å; Y398-M402 HydrophobicContact CD2-SD 4.45Å; Y398-M402 HydrophobicContact CE1-CG 3.83Å; Y398-M402 HydrophobicContact CE2-CE 3.81Å; Y398-M402 HydrophobicContact CE2-CG 3.36Å; Y398-M402 HydrophobicContact CE2-SD 3.51Å; Y398-M402 VanDerWaalsContact CE2-SD 3.51Å; Y398-M402 HydrophobicContact CG-CG 4.37Å; Y398-M402 VanDerWaalsContact O-CG 3.29Å; Y398-M402 WeakPolarHBondContact O-CG 3.49Å; Y398-M402 PolarHBondContact O-N 3.2Å; Y398-M402 WeakPolarHBondContact OH-CG 3.17Å; Y398-M402 PolarHBondContact OH-SD 3.35Å; Y398-M402 VanDerWaalsContact OH-SD 3.4Å; D399-M402 PolarHBondContact O-N 3.35Å; G400-M402 PolarHBondContact O-N 3.38Å; M402-Y594 HydrophobicContact CE-CD1 4.49Å; M402-Y594 HydrophobicContact CE-CE1 3.82Å
403	N	69.8	Low	75.2	Confident	93 Å²	93	40.4 Å²	40.4	50%	0.497	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	7.7	-178.7	-65	-44.8	0	0	0	113.2	D399 G400 V401 R405	D399-N403 VanDerWaalsContact O-CB 3.28Å; D399-N403 WeakPolarHBondContact O-CB 3.24Å; D399-N403 PolarHBondContact O-N 3.18Å; D399-N403 PolarHBondContact O-ND2 3.45Å; D399-N403 VanDerWaalsContact O-ND2 3.1Å; D399-N403 PolarHBondContact OD1-ND2 3.46Å; D399-N403 VanDerWaalsContact OD1-ND2 3.07Å; D399-N403 PolarHBondContact OD2-ND2 3.01Å; G400-N403 CarbonylContact O-C 3.59Å; G400-N403 PolarHBondContact O-N 3.3Å; V401-N403 PolarHBondContact O-N 3.36Å; N403-R405 VanDerWaalsContact C-N 3.27Å; N403-R405 HydrophobicContact CB-CG 3.86Å; N403-R405 WeakPolarHBondContact O-CG 3.08Å; N403-R405 PolarHBondContact O-N 2.93Å
404	K	64.4	Low	74.6	Confident	156 Å²	156	46.9 Å²	46.9	68%	0.678	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	37.9	-173.4	-60.6	-169.9	176.4	-170.9	0	114.4	G400 V401	G400-K404 CarbonylContact O-C 3.34Å; G400-K404 WeakPolarHBondContact O-CA 3.14Å; G400-K404 PolarHBondContact O-N 3.41Å; V401-K404 PolarHBondContact O-N 2.87Å
405	R	68.9	Low	74.1	Confident	75 Å²	75	53.2 Å²	53.2	28%	0.283	26%	0.258	S	S	.	.			trans	-105	121.6	178.6	-49.3	-166.6	-68.9	154.1	-9.3	111.1	D399 G400 N403 E412 Q472 F591	D399-R405 IonicContact OD2-CZ 2.72Å; D399-R405 IonicContact OD2-NE 3.84Å; D399-R405 IonicContact OD2-NH2 2.73Å; D399-R405 PolarHBondContact OD2-NH2 2.87Å; G400-R405 CarbonylContact C-O 3.6Å; G400-R405 VanDerWaalsContact CA-O 3.3Å; G400-R405 WeakPolarHBondContact CA-O 3.33Å; G400-R405 PolarHBondContact O-N 3.08Å; N403-R405 VanDerWaalsContact C-N 3.27Å; N403-R405 HydrophobicContact CB-CG 3.86Å; N403-R405 WeakPolarHBondContact O-CG 3.08Å; N403-R405 PolarHBondContact O-N 2.93Å; R405-E412 IonicContact CZ-OE1 2.64Å; R405-E412 IonicContact NH1-OE1 3.12Å; R405-E412 PolarHBondContact NH1-OE1 2.91Å; R405-E412 IonicContact NH1-OE2 2.65Å; R405-E412 PolarHBondContact NH1-OE2 3.32Å; R405-E412 IonicContact NH2-OE1 2.63Å; R405-E412 PolarHBondContact NH2-OE1 2.97Å; R405-Q472 PolarHBondContact O-NE2 2.82Å; R405-F591 WeakPolarHBondContact O-CZ 3.16Å
406	T	65.1	Low	73.3	Confident	75 Å²	75	53.3 Å²	53.3	46%	0.46	26%	0.256	S	S	.	.	S	Bend	trans	-87.5	-11.4	170.1	49.9	0	0	0	0	113	V465 F591	T406-V465 WeakPolarHBondContact O-CA 3.27Å; T406-V465 WeakPolarHBondContact O-CB 3.48Å; T406-V465 WeakPolarHBondContact O-CG1 3.32Å; T406-F591 HydrophobicContact CG2-CE1 4.18Å; T406-F591 HydrophobicContact CG2-CE2 4.34Å; T406-F591 HydrophobicContact CG2-CZ 3.59Å
407	S	74.8	Confident	72.4	Confident	37 Å²	37	53.6 Å²	53.6	26%	0.259	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.2	-173.9	69.1	0	0	0	0	113.4	Y464	S407-Y464 CarbonylContact C-O 3.57Å; S407-Y464 VanDerWaalsContact CA-O 3.26Å; S407-Y464 WeakPolarHBondContact CA-O 3.44Å
408	F	78.3	Confident	71.2	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.6	-172.3	-47.5	-91.2	0	0	0	110.3	L396 E412 L413 L463 Y464 F466	L396-F408 HydrophobicContact CD1-CB 4.11Å; L396-F408 HydrophobicContact CD1-CD1 3.47Å; L396-F408 VanDerWaalsContact CD1-CD1 3.47Å; L396-F408 HydrophobicContact CD1-CE1 3.97Å; L396-F408 HydrophobicContact CD1-CG 3.79Å; L396-F408 HydrophobicContact CD2-CD1 4.46Å; L396-F408 HydrophobicContact CD2-CD2 4.14Å; L396-F408 HydrophobicContact CD2-CG 4.12Å; L396-F408 HydrophobicContact CG-CD1 3.79Å; L396-F408 HydrophobicContact CG-CD2 4.24Å; L396-F408 HydrophobicContact CG-CE1 3.88Å; L396-F408 HydrophobicContact CG-CE2 4.37Å; L396-F408 HydrophobicContact CG-CG 3.95Å; L396-F408 HydrophobicContact CG-CZ 4.17Å; L396-F408 VanDerWaalsContact O-CE1 3.26Å; L396-F408 WeakPolarHBondContact O-CE1 3.31Å; F408-E412 WeakPolarHBondContact CA-OE2 3.21Å; F408-L413 HydrophobicContact CB-CD1 3.83Å; F408-L463 CarbonylContact O-C 3.54Å; F408-L463 VanDerWaalsContact O-CA 3.28Å; F408-L463 WeakPolarHBondContact O-CA 3.33Å; F408-L463 WeakPolarHBondContact O-CD2 3.45Å; F408-Y464 PolarHBondContact N-O 3.3Å; F408-Y464 PolarHBondContact O-N 3.34Å; F408-F466 HydrophobicContact CD2-CE2 4.46Å; F408-F466 AromaticContact CE2-CD2 3.85Å; F408-F466 HydrophobicContact CE2-CD2 3.85Å; F408-F466 AromaticContact CE2-CE2 3.57Å; F408-F466 HydrophobicContact CE2-CE2 3.57Å; F408-F466 HydrophobicContact CZ-CE2 4Å
409	S	80.2	Confident	69.9	Low	9 Å²	9	55.6 Å²	55.6	6%	0.063	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	158	178.9	78.9	0	0	0	0	113.8	K411 E412 L413 E461 K462	S409-K411 PolarHBondContact O-N 2.91Å; S409-E412 PolarHBondContact N-OE2 3.3Å; S409-E412 WeakPolarHBondContact O-CA 3.47Å; S409-E412 WeakPolarHBondContact O-CB 3.43Å; S409-E412 PolarHBondContact O-N 3.06Å; S409-E412 PolarHBondContact OG-N 2.95Å; S409-L413 WeakPolarHBondContact O-CD1 3.21Å; S409-L413 PolarHBondContact O-N 3.42Å; S409-E461 VanDerWaalsContact CB-OE2 3.32Å; S409-E461 WeakPolarHBondContact CB-OE2 3.32Å; S409-K462 CarbonylContact C-O 3.54Å; S409-K462 WeakPolarHBondContact CA-O 3.3Å
410	D	73.7	Confident	68.2	Low	39 Å²	39	64.4 Å²	64.4	21%	0.209	32%	0.322	C	S	.	.	H	α-helix	trans	-48.8	-42.5	172.9	-134.9	-3.2	0	0	0	111.9	L413 E414 K462 Y464	D410-L413 WeakPolarHBondContact O-CB 3.37Å; D410-L413 PolarHBondContact O-N 3.37Å; D410-E414 PolarHBondContact O-N 3.33Å; D410-K462 HydrophobicContact CB-CB 4.25Å; D410-K462 PolarHBondContact N-O 3.35Å; D410-K462 IonicContact OD1-NZ 2.73Å; D410-K462 WeakPolarHBondContact OD2-CE 3.5Å; D410-K462 WeakPolarHBondContact OD2-CG 2.97Å; D410-K462 IonicContact OD2-NZ 2.62Å; D410-K462 PolarHBondContact OD2-NZ 2.97Å; D410-Y464 HydrophobicContact CB-CE2 4.44Å; D410-Y464 WeakPolarHBondContact OD1-CE2 3.36Å
411	K	72	Confident	67.1	Low	91 Å²	91	70.5 Å²	70.5	40%	0.396	36%	0.36	S	S	.	.	H	α-helix	trans	-67.9	-34.1	176.7	-62.7	179.2	-167.9	151.5	0	113.2	S409 E414 Q415 D459 E461	S409-K411 PolarHBondContact O-N 2.91Å; K411-E414 PolarHBondContact O-N 3.41Å; K411-Q415 VanDerWaalsContact O-CB 3.3Å; K411-Q415 WeakPolarHBondContact O-CB 3.22Å; K411-Q415 PolarHBondContact O-N 3.15Å; K411-D459 WeakPolarHBondContact CE-OD2 3.45Å; K411-D459 IonicContact NZ-OD2 2.66Å; K411-D459 PolarHBondContact NZ-OD2 3.19Å; K411-E461 WeakPolarHBondContact CD-OE1 3.44Å; K411-E461 WeakPolarHBondContact CE-OE1 3.39Å; K411-E461 IonicContact NZ-OE1 3.83Å; K411-E461 PolarHBondContact NZ-OE1 2.64Å
412	E	72.4	Confident	66.6	Low	41 Å²	41	72.2 Å²	72.2	19%	0.192	37%	0.366	C	S	.	.	H	α-helix	trans	-68.4	-40.7	173	-69.1	-179.3	112	0	0	110.5	R405 F408 S409 Q415 W416	R405-E412 IonicContact CZ-OE1 2.64Å; R405-E412 IonicContact NH1-OE1 3.12Å; R405-E412 PolarHBondContact NH1-OE1 2.91Å; R405-E412 IonicContact NH1-OE2 2.65Å; R405-E412 PolarHBondContact NH1-OE2 3.32Å; R405-E412 IonicContact NH2-OE1 2.63Å; R405-E412 PolarHBondContact NH2-OE1 2.97Å; F408-E412 WeakPolarHBondContact CA-OE2 3.21Å; S409-E412 PolarHBondContact N-OE2 3.3Å; S409-E412 WeakPolarHBondContact O-CA 3.47Å; S409-E412 WeakPolarHBondContact O-CB 3.43Å; S409-E412 PolarHBondContact O-N 3.06Å; S409-E412 PolarHBondContact OG-N 2.95Å; E412-Q415 PolarHBondContact O-N 2.89Å; E412-W416 WeakPolarHBondContact O-CB 3.28Å; E412-W416 PolarHBondContact O-N 3.3Å
413	L	72.9	Confident	66.1	Low	7 Å²	7	72.3 Å²	72.3	4%	0.037	37%	0.371	C	S	.	.	H	α-helix	trans	-59.1	-49.6	171	-89.5	73.5	0	0	0	110.7	L396 F408 S409 D410 Q415 W416 I417 L442 Y464	L396-L413 HydrophobicContact CD2-CD1 4.07Å; L396-L413 HydrophobicContact CD2-CG 4.36Å; F408-L413 HydrophobicContact CB-CD1 3.83Å; S409-L413 WeakPolarHBondContact O-CD1 3.21Å; S409-L413 PolarHBondContact O-N 3.42Å; D410-L413 WeakPolarHBondContact O-CB 3.37Å; D410-L413 PolarHBondContact O-N 3.37Å; L413-Q415 VanDerWaalsContact C-N 3.29Å; L413-Q415 PolarHBondContact O-N 2.81Å; L413-W416 PolarHBondContact O-N 3.41Å; L413-I417 HydrophobicContact CB-CD1 4.07Å; L413-I417 HydrophobicContact CD2-CD1 4.28Å; L413-I417 HydrophobicContact CG-CD1 3.98Å; L413-I417 WeakPolarHBondContact O-CA 3.43Å; L413-I417 WeakPolarHBondContact O-CB 3.38Å; L413-I417 PolarHBondContact O-N 3.45Å; L413-L442 HydrophobicContact CD1-CD1 4.37Å; L413-L442 HydrophobicContact CD2-CD1 3.79Å; L413-L442 HydrophobicContact CG-CD1 4.13Å; L413-Y464 HydrophobicContact CD1-CD2 4.04Å; L413-Y464 HydrophobicContact CD1-CG 4.17Å; L413-Y464 HydrophobicContact CD2-CD1 3.84Å; L413-Y464 HydrophobicContact CD2-CD2 3.68Å; L413-Y464 HydrophobicContact CD2-CE1 4.16Å; L413-Y464 HydrophobicContact CD2-CE2 4.05Å; L413-Y464 HydrophobicContact CD2-CG 3.6Å; L413-Y464 HydrophobicContact CG-CD2 4.47Å
414	E	71.3	Confident	65.4	Low	136 Å²	136	74.7 Å²	74.7	64%	0.636	38%	0.383	S	S	*	.	I	π-helix	trans	-60.2	-34.8	175	-72.4	-170.3	155.9	0	0	113.1	D410 K411 G418	D410-E414 PolarHBondContact O-N 3.33Å; K411-E414 PolarHBondContact O-N 3.41Å; E414-G418 WeakPolarHBondContact O-CA 3.27Å; E414-G418 PolarHBondContact O-N 3.43Å
415	Q	73.5	Confident	65.1	Low	134 Å²	134	71.7 Å²	71.7	63%	0.626	37%	0.372	S	S	*	.	I	π-helix	trans	-69.2	-43.3	176.4	179.4	173.8	-25.5	0	0	112.4	K411 E412 L413	K411-Q415 VanDerWaalsContact O-CB 3.3Å; K411-Q415 WeakPolarHBondContact O-CB 3.22Å; K411-Q415 PolarHBondContact O-N 3.15Å; E412-Q415 PolarHBondContact O-N 2.89Å; L413-Q415 VanDerWaalsContact C-N 3.29Å; L413-Q415 PolarHBondContact O-N 2.81Å
416	W	66.5	Low	64.5	Low	72 Å²	72	71.6 Å²	71.6	27%	0.273	38%	0.375	S	S	.	.	I	π-helix	trans	-87.5	-32.8	-174.4	-66.3	120.2	0	0	0	114.1	K395 L396 E412 L413	K395-W416 HydrophobicContact CD-CE3 3.94Å; K395-W416 HydrophobicContact CD-CZ3 4.11Å; K395-W416 VanDerWaalsContact CE-CZ3 3.41Å; K395-W416 HydrophobicContact CG-CE3 4.37Å; L396-W416 VanDerWaalsContact CD1-CD1 3.43Å; L396-W416 HydrophobicContact CD1-CG 4.23Å; E412-W416 WeakPolarHBondContact O-CB 3.28Å; E412-W416 PolarHBondContact O-N 3.3Å; L413-W416 PolarHBondContact O-N 3.41Å
417	I	66.1	Low	64.4	Low	7 Å²	7	72 Å²	72	4%	0.036	37%	0.373	C	S	.	.	I	π-helix	trans	-95.9	-39.2	178.2	-59.9	161.4	0	0	0	110.5	L413 K422 L430 F433 L438	L413-I417 HydrophobicContact CB-CD1 4.07Å; L413-I417 HydrophobicContact CD2-CD1 4.28Å; L413-I417 HydrophobicContact CG-CD1 3.98Å; L413-I417 WeakPolarHBondContact O-CA 3.43Å; L413-I417 WeakPolarHBondContact O-CB 3.38Å; L413-I417 PolarHBondContact O-N 3.45Å; I417-K422 PolarHBondContact O-NZ 3.2Å; I417-L430 HydrophobicContact CG2-CD1 3.65Å; I417-F433 HydrophobicContact CD1-CE1 4.11Å; I417-F433 HydrophobicContact CG1-CE1 4.2Å; I417-F433 HydrophobicContact CG2-CD1 4.01Å; I417-F433 HydrophobicContact CG2-CE1 3.61Å; I417-L438 HydrophobicContact CD1-CD1 3.71Å; I417-L438 HydrophobicContact CD1-CD2 4.39Å
418	G	58.2	Low	63.7	Low	29 Å²	29	75.4 Å²	75.4	30%	0.299	39%	0.385	S	S	.	.	I	π-helix	trans	-74.8	-44.4	-167.2	0	0	0	0	0	115.1	E414 K422	E414-G418 WeakPolarHBondContact O-CA 3.27Å; E414-G418 PolarHBondContact O-N 3.43Å; G418-K422 WeakPolarHBondContact O-CE 3.48Å; G418-K422 PolarHBondContact O-NZ 2.79Å
419	G	53.2	Low	62.8	Low	38 Å²	38	75.8 Å²	75.8	39%	0.392	39%	0.387	S	S	.	.			trans	59.9	108.8	167	0	0	0	0	0	116.9	T421	G419-T421 PolarHBondContact O-N 3.19Å
420	K	44.8	Very low	61.9	Low	225 Å²	225	76.4 Å²	76.4	98%	0.978	39%	0.389	S	S	*	.	S	Bend	trans	-62.7	-8.7	-173.6	-73.9	-171.6	176.3	-179.4	0	117.1
421	T	48.9	Very low	61.1	Low	128 Å²	128	76.9 Å²	76.9	79%	0.785	40%	0.399	S	S	*	.	S	Bend	trans	-140.9	120.5	172.5	50.4	0	0	0	0	108.2	G419	G419-T421 PolarHBondContact O-N 3.19Å
422	K	54.8	Low	60.4	Low	49 Å²	49	74.8 Å²	74.8	21%	0.213	39%	0.393	C	S	.	.			trans	-136.1	145.8	175.3	-78.8	178.1	172.5	163.2	0	110.1	I417 G418 E426 L427 L430	I417-K422 PolarHBondContact O-NZ 3.2Å; G418-K422 WeakPolarHBondContact O-CE 3.48Å; G418-K422 PolarHBondContact O-NZ 2.79Å; K422-E426 WeakPolarHBondContact CA-OE2 3.41Å; K422-E426 HydrophobicContact CB-CB 3.98Å; K422-E426 HydrophobicContact CD-CB 4.3Å; K422-E426 HydrophobicContact CG-CB 3.99Å; K422-L427 HydrophobicContact CB-CD2 4.01Å; K422-L427 HydrophobicContact CB-CG 3.92Å; K422-L427 HydrophobicContact CD-CD2 3.92Å; K422-L427 HydrophobicContact CD-CG 4.5Å; K422-L430 HydrophobicContact CD-CD2 4.37Å; K422-L430 VanDerWaalsContact NZ-CD2 3.28Å
423	T	58.9	Low	59.9	Low	78 Å²	78	72.8 Å²	72.8	48%	0.479	38%	0.384	S	S	.	.			trans	-73.4	163	165	58.1	0	0	0	0	110.9	E425 E426 L427	T423-E425 PolarHBondContact O-N 3.42Å; T423-E426 WeakPolarHBondContact CB-OE2 3.32Å; T423-E426 WeakPolarHBondContact CG2-OE2 3.34Å; T423-E426 PolarHBondContact N-OE2 3.35Å; T423-E426 PolarHBondContact O-N 3.07Å; T423-E426 VanDerWaalsContact OG1-CG 3.3Å; T423-E426 WeakPolarHBondContact OG1-CG 3.17Å; T423-E426 PolarHBondContact OG1-N 3.23Å; T423-E426 PolarHBondContact OG1-OE2 2.73Å; T423-L427 WeakPolarHBondContact O-CG 3.32Å; T423-L427 PolarHBondContact O-N 3.15Å
424	D	54.1	Low	59.1	Low	142 Å²	142	77.6 Å²	77.6	76%	0.759	41%	0.406	S	S	*	.	H	α-helix	trans	-60.8	-29.1	177.1	-68.5	-36.8	0	0	0	112.5	H428	D424-H428 PolarHBondContact O-N 2.98Å
425	E	57.9	Low	58.2	Low	93 Å²	93	75.6 Å²	75.6	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-74.2	-41.8	176.1	-166.3	164.6	-155.3	0	0	111.9	T423 L427 H428 Q429	T423-E425 PolarHBondContact O-N 3.42Å; E425-L427 VanDerWaalsContact C-N 3.27Å; E425-L427 PolarHBondContact O-N 3.28Å; E425-H428 PolarHBondContact O-N 3.27Å; E425-H428 VanDerWaalsContact O-N 3.14Å; E425-Q429 WeakPolarHBondContact O-CG 3.38Å; E425-Q429 PolarHBondContact O-N 3.24Å
426	E	58.1	Low	57.2	Low	74 Å²	74	75.1 Å²	75.1	35%	0.346	41%	0.405	S	S	.	.	H	α-helix	trans	-65.8	-27.5	171.5	-71.6	166.8	119.3	0	0	112.9	K422 T423 L430	K422-E426 WeakPolarHBondContact CA-OE2 3.41Å; K422-E426 HydrophobicContact CB-CB 3.98Å; K422-E426 HydrophobicContact CD-CB 4.3Å; K422-E426 HydrophobicContact CG-CB 3.99Å; T423-E426 WeakPolarHBondContact CB-OE2 3.32Å; T423-E426 WeakPolarHBondContact CG2-OE2 3.34Å; T423-E426 PolarHBondContact N-OE2 3.35Å; T423-E426 PolarHBondContact O-N 3.07Å; T423-E426 VanDerWaalsContact OG1-CG 3.3Å; T423-E426 WeakPolarHBondContact OG1-CG 3.17Å; T423-E426 PolarHBondContact OG1-N 3.23Å; T423-E426 PolarHBondContact OG1-OE2 2.73Å; E426-L430 WeakPolarHBondContact O-CB 3.47Å; E426-L430 PolarHBondContact O-N 2.96Å
427	L	61	Low	56.9	Low	82 Å²	82	72.5 Å²	72.5	43%	0.429	40%	0.397	S	S	.	.	H	α-helix	trans	-73.5	-35.4	171.1	-70.7	171.7	0	0	0	111.9	K422 T423 E425 L430 A431	K422-L427 HydrophobicContact CB-CD2 4.01Å; K422-L427 HydrophobicContact CB-CG 3.92Å; K422-L427 HydrophobicContact CD-CD2 3.92Å; K422-L427 HydrophobicContact CD-CG 4.5Å; T423-L427 WeakPolarHBondContact O-CG 3.32Å; T423-L427 PolarHBondContact O-N 3.15Å; E425-L427 VanDerWaalsContact C-N 3.27Å; E425-L427 PolarHBondContact O-N 3.28Å; L427-L430 HydrophobicContact CD2-CD2 4.4Å; L427-A431 PolarHBondContact O-N 2.98Å
428	H	62	Low	56.8	Low	110 Å²	110	73.5 Å²	73.5	51%	0.509	40%	0.403	S	S	.	.	H	α-helix	trans	-68.7	-45.7	173.1	-172.9	46.6	0	0	0	111.8	D424 E425 L430 A431 V432	D424-H428 PolarHBondContact O-N 2.98Å; E425-H428 PolarHBondContact O-N 3.27Å; E425-H428 VanDerWaalsContact O-N 3.14Å; H428-L430 VanDerWaalsContact C-N 3.34Å; H428-L430 PolarHBondContact O-N 3.2Å; H428-A431 PolarHBondContact O-N 3.48Å; H428-V432 PolarHBondContact O-N 2.89Å; H428-V432 VanDerWaalsContact O-N 3.14Å
429	Q	59.1	Low	56.9	Low	8 Å²	8	76.5 Å²	76.5	4%	0.037	41%	0.412	C	S	.	.	H	α-helix	trans	-59.5	-42.8	173.1	-72.6	179.1	-23.3	0	0	111.7	S383 Y388 E425 A431 V432 F433	S383-Q429 PolarHBondContact O-NE2 3.04Å; S383-Q429 VanDerWaalsContact O-NE2 3.12Å; S383-Q429 PolarHBondContact OG-NE2 3.05Å; Y388-Q429 HydrophobicContact CD2-CB 3.87Å; Y388-Q429 HydrophobicContact CE2-CB 3.94Å; Y388-Q429 HydrophobicContact CG-CB 4.26Å; E425-Q429 WeakPolarHBondContact O-CG 3.38Å; E425-Q429 PolarHBondContact O-N 3.24Å; Q429-A431 VanDerWaalsContact C-N 3.33Å; Q429-A431 PolarHBondContact O-N 3.38Å; Q429-V432 PolarHBondContact O-N 3.11Å; Q429-F433 WeakPolarHBondContact O-CB 3.4Å; Q429-F433 PolarHBondContact O-N 3.16Å
430	L	59.7	Low	57.3	Low	21 Å²	21	78.1 Å²	78.1	11%	0.11	41%	0.408	C	S	.	.	H	α-helix	trans	-56.8	-45.4	173.7	-179.6	69.2	0	0	0	111.9	I417 K422 E426 L427 H428 F433 Q434	I417-L430 HydrophobicContact CG2-CD1 3.65Å; K422-L430 HydrophobicContact CD-CD2 4.37Å; K422-L430 VanDerWaalsContact NZ-CD2 3.28Å; E426-L430 WeakPolarHBondContact O-CB 3.47Å; E426-L430 PolarHBondContact O-N 2.96Å; L427-L430 HydrophobicContact CD2-CD2 4.4Å; H428-L430 VanDerWaalsContact C-N 3.34Å; H428-L430 PolarHBondContact O-N 3.2Å; L430-F433 PolarHBondContact O-N 2.97Å; L430-Q434 HydrophobicContact CD1-CG 3.86Å; L430-Q434 HydrophobicContact CG-CG 4.17Å; L430-Q434 VanDerWaalsContact O-CB 3.3Å; L430-Q434 WeakPolarHBondContact O-CB 3.41Å; L430-Q434 VanDerWaalsContact O-CG 3.31Å; L430-Q434 WeakPolarHBondContact O-CG 3.37Å; L430-Q434 PolarHBondContact O-N 2.94Å
431	A	57.9	Low	58.3	Low	50 Å²	50	67.4 Å²	67.4	41%	0.413	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-42.3	-178	0	0	0	0	0	112.3	L427 H428 Q429	L427-A431 PolarHBondContact O-N 2.98Å; H428-A431 PolarHBondContact O-N 3.48Å; Q429-A431 VanDerWaalsContact C-N 3.33Å; Q429-A431 PolarHBondContact O-N 3.38Å
432	V	58	Low	59	Low	46 Å²	46	61.3 Å²	61.3	28%	0.279	32%	0.324	S	S	.	.	H	α-helix	trans	-67.2	-39.6	174.7	177.2	0	0	0	0	111.2	L385 H428 Q429 T435	L385-V432 HydrophobicContact CD1-CG1 4.47Å; L385-V432 HydrophobicContact CD2-CG1 3.82Å; H428-V432 PolarHBondContact O-N 2.89Å; H428-V432 VanDerWaalsContact O-N 3.14Å; Q429-V432 PolarHBondContact O-N 3.11Å; V432-T435 PolarHBondContact O-OG1 3.31Å
433	F	60.9	Low	59.1	Low	0 Å²	0	60 Å²	60	0%	0	32%	0.323	C	S	.	.	I	π-helix	trans	-67.4	-35.6	179.1	174.1	-101.2	0	0	0	113.1	L385 Y388 V389 V393 I417 Q429 L430 V437 L438	L385-F433 HydrophobicContact CD1-CB 4.28Å; Y388-F433 HydrophobicContact CD1-CB 4.17Å; Y388-F433 HydrophobicContact CD1-CD2 4.21Å; Y388-F433 HydrophobicContact CD1-CG 4.05Å; Y388-F433 HydrophobicContact CE1-CB 3.94Å; Y388-F433 AromaticContact CE1-CD1 3.93Å; Y388-F433 HydrophobicContact CE1-CD1 3.93Å; Y388-F433 HydrophobicContact CE1-CD2 4.37Å; Y388-F433 AromaticContact CE1-CG 3.81Å; Y388-F433 HydrophobicContact CE1-CG 3.81Å; V389-F433 HydrophobicContact CG2-CD2 3.94Å; V389-F433 HydrophobicContact CG2-CE2 3.88Å; V393-F433 HydrophobicContact CG2-CE2 3.67Å; V393-F433 HydrophobicContact CG2-CZ 3.38Å; I417-F433 HydrophobicContact CD1-CE1 4.11Å; I417-F433 HydrophobicContact CG1-CE1 4.2Å; I417-F433 HydrophobicContact CG2-CD1 4.01Å; I417-F433 HydrophobicContact CG2-CE1 3.61Å; Q429-F433 WeakPolarHBondContact O-CB 3.4Å; Q429-F433 PolarHBondContact O-N 3.16Å; L430-F433 PolarHBondContact O-N 2.97Å; F433-V437 HydrophobicContact CD2-CB 4.13Å; F433-V437 HydrophobicContact CD2-CG1 3.89Å; F433-V437 HydrophobicContact CE2-CG1 4.15Å; F433-V437 PolarHBondContact O-N 3.12Å; F433-L438 HydrophobicContact CE1-CB 4.25Å; F433-L438 HydrophobicContact CE1-CD1 3.87Å; F433-L438 HydrophobicContact CE1-CG 4.48Å; F433-L438 HydrophobicContact CZ-CB 4.25Å; F433-L438 HydrophobicContact CZ-CD1 3.68Å; F433-L438 PolarHBondContact O-N 3.24Å
434	Q	55.9	Low	58.9	Low	107 Å²	107	57.8 Å²	57.8	50%	0.5	31%	0.31	S	S	.	.	I	π-helix	trans	-81.4	-15.9	-175.8	-78.6	-175.5	-34.6	0	0	115.5	L430	L430-Q434 HydrophobicContact CD1-CG 3.86Å; L430-Q434 HydrophobicContact CG-CG 4.17Å; L430-Q434 VanDerWaalsContact O-CB 3.3Å; L430-Q434 WeakPolarHBondContact O-CB 3.41Å; L430-Q434 VanDerWaalsContact O-CG 3.31Å; L430-Q434 WeakPolarHBondContact O-CG 3.37Å; L430-Q434 PolarHBondContact O-N 2.94Å
435	T	51.7	Low	58.5	Low	95 Å²	95	53.4 Å²	53.4	58%	0.583	29%	0.29	S	S	*	.	I	π-helix	trans	-85.5	-37.3	-179.4	55.6	0	0	0	0	114	V432	V432-T435 PolarHBondContact O-OG1 3.31Å
436	D	53	Low	57.9	Low	123 Å²	123	53.5 Å²	53.5	66%	0.658	30%	0.296	S	S	*	.	I	π-helix	trans	-139.3	-31.1	-170.4	-58	-93.8	0	0	0	113.8
437	V	60.2	Low	57	Low	17 Å²	17	56.3 Å²	56.3	10%	0.103	31%	0.307	C	S	.	.	I	π-helix	trans	-84.7	-31	-169.8	178.3	0	0	0	0	113.2	F363 L385 V389 F433 D439 F440 F441	F363-V437 HydrophobicContact CE1-CG1 3.8Å; F363-V437 HydrophobicContact CE1-CG2 4.28Å; F363-V437 HydrophobicContact CZ-CG1 4.21Å; L385-V437 HydrophobicContact CD2-CG2 3.91Å; V389-V437 HydrophobicContact CG2-CG1 3.83Å; F433-V437 HydrophobicContact CD2-CB 4.13Å; F433-V437 HydrophobicContact CD2-CG1 3.89Å; F433-V437 HydrophobicContact CE2-CG1 4.15Å; F433-V437 PolarHBondContact O-N 3.12Å; V437-D439 PolarHBondContact O-N 3.12Å; V437-F440 WeakPolarHBondContact O-CB 3.32Å; V437-F440 PolarHBondContact O-N 3.04Å; V437-F441 HydrophobicContact CG1-CD2 4.15Å; V437-F441 HydrophobicContact CG1-CE2 3.74Å; V437-F441 VanDerWaalsContact O-CD2 3.24Å; V437-F441 WeakPolarHBondContact O-CD2 3.23Å
438	L	64.3	Low	55.9	Low	28 Å²	28	56.9 Å²	56.9	15%	0.147	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-43.7	177.8	-177.2	59.7	0	0	0	112.4	I417 F433 F440 F441 L442	I417-L438 HydrophobicContact CD1-CD1 3.71Å; I417-L438 HydrophobicContact CD1-CD2 4.39Å; F433-L438 HydrophobicContact CE1-CB 4.25Å; F433-L438 HydrophobicContact CE1-CD1 3.87Å; F433-L438 HydrophobicContact CE1-CG 4.48Å; F433-L438 HydrophobicContact CZ-CB 4.25Å; F433-L438 HydrophobicContact CZ-CD1 3.68Å; F433-L438 PolarHBondContact O-N 3.24Å; L438-F440 VanDerWaalsContact C-N 3.3Å; L438-F440 PolarHBondContact O-N 3.47Å; L438-F441 PolarHBondContact O-N 2.94Å; L438-F441 VanDerWaalsContact O-N 3.1Å; L438-L442 HydrophobicContact CD1-CD1 3.85Å; L438-L442 HydrophobicContact CD1-CG 4.4Å; L438-L442 PolarHBondContact O-N 2.86Å
439	D	61	Low	54.4	Low	92 Å²	92	54 Å²	54	49%	0.492	32%	0.319	S	S	.	.	H	α-helix	trans	-71	-20.8	-178.8	-78.6	-29.5	0	0	0	113.5	V437 F441	V437-D439 PolarHBondContact O-N 3.12Å; D439-F441 VanDerWaalsContact C-N 3.26Å; D439-F441 PolarHBondContact O-N 3.1Å
440	F	60.3	Low	53	Low	72 Å²	72	59.6 Å²	59.6	32%	0.316	35%	0.349	S	S	.	.	H	α-helix	trans	-64.9	-32	169.8	178.3	-85.9	0	0	0	111.7	F358 F359 F363 V437 L438	F358-F440 HydrophobicContact CE1-CE1 4.15Å; F358-F440 AromaticContact CE1-CZ 3.59Å; F358-F440 HydrophobicContact CE1-CZ 3.59Å; F358-F440 HydrophobicContact CZ-CE1 4.5Å; F358-F440 HydrophobicContact CZ-CE2 4.19Å; F358-F440 AromaticContact CZ-CZ 3.56Å; F358-F440 HydrophobicContact CZ-CZ 3.56Å; F359-F440 HydrophobicContact CE1-CE1 4.41Å; F363-F440 HydrophobicContact CE2-CE1 4.01Å; F363-F440 HydrophobicContact CE2-CZ 4.27Å; F363-F440 HydrophobicContact CZ-CD1 4.24Å; F363-F440 HydrophobicContact CZ-CE1 4.06Å; F363-F440 HydrophobicContact CZ-CZ 4.43Å; V437-F440 WeakPolarHBondContact O-CB 3.32Å; V437-F440 PolarHBondContact O-N 3.04Å; L438-F440 VanDerWaalsContact C-N 3.3Å; L438-F440 PolarHBondContact O-N 3.47Å
441	F	65.9	Low	52	Low	0 Å²	0	65.2 Å²	65.2	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-97	-41.3	-178.8	-69	-66.5	0	0	0	113.9	F359 F363 V389 V393 V437 L438 D439 F466 A467 L475	F359-F441 AromaticContact CE1-CE1 3.53Å; F359-F441 HydrophobicContact CE1-CE1 3.53Å; F359-F441 AromaticContact CE1-CZ 3.71Å; F359-F441 HydrophobicContact CE1-CZ 3.71Å; F359-F441 AromaticContact CZ-CE1 3.89Å; F359-F441 HydrophobicContact CZ-CE1 3.89Å; F359-F441 HydrophobicContact CZ-CZ 4.49Å; F363-F441 HydrophobicContact CE2-CZ 4.04Å; F363-F441 AromaticContact CZ-CE2 3.98Å; F363-F441 HydrophobicContact CZ-CE2 3.98Å; F363-F441 AromaticContact CZ-CZ 3.89Å; F363-F441 HydrophobicContact CZ-CZ 3.89Å; V389-F441 HydrophobicContact CB-CE2 4.39Å; V389-F441 HydrophobicContact CG1-CD2 4.11Å; V389-F441 HydrophobicContact CG1-CE1 4.31Å; V389-F441 HydrophobicContact CG1-CE2 3.43Å; V389-F441 VanDerWaalsContact CG1-CE2 3.43Å; V389-F441 HydrophobicContact CG1-CZ 3.55Å; V389-F441 HydrophobicContact CG2-CE2 3.97Å; V393-F441 HydrophobicContact CG1-CB 4.04Å; V393-F441 HydrophobicContact CG1-CG 4.25Å; V437-F441 HydrophobicContact CG1-CD2 4.15Å; V437-F441 HydrophobicContact CG1-CE2 3.74Å; V437-F441 VanDerWaalsContact O-CD2 3.24Å; V437-F441 WeakPolarHBondContact O-CD2 3.23Å; L438-F441 PolarHBondContact O-N 2.94Å; L438-F441 VanDerWaalsContact O-N 3.1Å; D439-F441 VanDerWaalsContact C-N 3.26Å; D439-F441 PolarHBondContact O-N 3.1Å; F441-F466 CarbonylContact O-C 3.59Å; F441-F466 WeakPolarHBondContact O-CA 3.36Å; F441-A467 PolarHBondContact O-N 3.38Å; F441-L475 HydrophobicContact CD1-CD1 3.55Å; F441-L475 HydrophobicContact CE1-CD1 3.67Å; F441-L475 HydrophobicContact CE1-CD2 4.48Å; F441-L475 HydrophobicContact CG-CD1 4.38Å
442	L	63.3	Low	50.7	Low	0 Å²	0	67.7 Å²	67.7	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.1	-169.4	-65.5	-177.1	0	0	0	111.2	L396 L413 L438 Y464 V465 F466	L396-L442 HydrophobicContact CD2-CD1 3.66Å; L396-L442 HydrophobicContact CD2-CD2 4.45Å; L413-L442 HydrophobicContact CD1-CD1 4.37Å; L413-L442 HydrophobicContact CD2-CD1 3.79Å; L413-L442 HydrophobicContact CG-CD1 4.13Å; L438-L442 HydrophobicContact CD1-CD1 3.85Å; L438-L442 HydrophobicContact CD1-CG 4.4Å; L438-L442 PolarHBondContact O-N 2.86Å; L442-Y464 HydrophobicContact CB-CD1 4.18Å; L442-V465 CarbonylContact C-O 3.54Å; L442-V465 WeakPolarHBondContact CA-O 3.47Å; L442-F466 HydrophobicContact CD2-CD1 3.85Å; L442-F466 HydrophobicContact CD2-CD2 3.68Å; L442-F466 HydrophobicContact CD2-CE1 3.78Å; L442-F466 HydrophobicContact CD2-CE2 3.6Å; L442-F466 HydrophobicContact CD2-CG 3.8Å; L442-F466 HydrophobicContact CD2-CZ 3.64Å
443	A	57.5	Low	49.3	Very low	22 Å²	22	71 Å²	71	18%	0.182	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	133.4	173.5	0	0	0	0	0	110.5	C445 V465 A467	A443-C445 PolarHBondContact O-N 3.02Å; A443-V465 PolarHBondContact N-O 3.23Å; A443-V465 WeakPolarHBondContact O-CG2 3.33Å; A443-V465 PolarHBondContact O-N 2.93Å; A443-A467 HydrophobicContact CB-CB 4.25Å
444	P	54.4	Low	48.3	Very low	32 Å²	32	81 Å²	81	21%	0.208	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	138.5	170.8	-28.7	36.7	0	0	0	112.9	L463 Y464	P444-L463 CarbonylContact C-O 3.52Å; P444-L463 WeakPolarHBondContact CA-O 3.28Å; P444-Y464 HydrophobicContact CG-CD1 4.14Å; P444-Y464 HydrophobicContact CG-CE1 3.78Å
445	C	47.4	Very low	47.1	Very low	50 Å²	50	84.4 Å²	84.4	34%	0.338	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.1	178.3	-172.3	0	0	0	0	109.8	A443 L463 V465	A443-C445 PolarHBondContact O-N 3.02Å; C445-L463 HydrophobicContact CB-CB 4.28Å; C445-L463 PolarHBondContact N-O 3.48Å; C445-L463 VanDerWaalsContact O-O 3.11Å; C445-V465 HydrophobicContact CB-CB 4.41Å; C445-V465 HydrophobicContact CB-CG1 3.59Å; C445-V465 HydrophobicContact CB-CG2 4.05Å
446	V	45	Very low	46.4	Very low	94 Å²	94	87.8 Å²	87.8	57%	0.57	49%	0.487	S	S	*	.			trans	-120.3	125.7	179.3	-179.5	0	0	0	0	108.2	S448	V446-S448 PolarHBondContact O-N 3.33Å
447	K	38.7	Very low	45.1	Very low	133 Å²	133	88.3 Å²	88.3	58%	0.578	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-56.5	121.5	174.7	-70.2	179.6	-178.3	168.9	0	109.3	G449 L463	K447-G449 PolarHBondContact O-N 3.13Å; K447-L463 HydrophobicContact CD-CD1 4.09Å; K447-L463 HydrophobicContact CD-CG 4.44Å; K447-L463 HydrophobicContact CG-CD1 3.33Å; K447-L463 HydrophobicContact CG-CG 3.95Å
448	S	37	Very low	44	Very low	95 Å²	95	96.3 Å²	96.3	66%	0.664	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-65.5	124	148.2	-173.9	0	0	0	0	106.5	V446 N450 Q584	V446-S448 PolarHBondContact O-N 3.33Å; S448-N450 PolarHBondContact O-N 2.98Å; S448-Q584 VanDerWaalsContact C-NE2 3.34Å; S448-Q584 PolarHBondContact O-NE2 2.83Å; S448-Q584 PolarHBondContact OG-NE2 3.43Å
449	G	31.4	Very low	42.9	Very low	50 Å²	50	100.1 Å²	100.1	52%	0.515	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-68.9	126.2	-176.9	0	0	0	0	0	110.6	K447 Q584	K447-G449 PolarHBondContact O-N 3.13Å; G449-Q584 PolarHBondContact O-NE2 2.94Å
450	N	29.1	Very low	42.2	Very low	125 Å²	125	102.6 Å²	102.6	67%	0.668	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-99.5	131.7	167.3	-149.5	-10.3	0	0	0	108.3	S448 S452 Q584	S448-N450 PolarHBondContact O-N 2.98Å; N450-S452 PolarHBondContact O-N 2.81Å; N450-Q584 VanDerWaalsContact CG-OE1 3.24Å; N450-Q584 PolarHBondContact ND2-OE1 3.46Å
451	H	39.7	Very low	41.9	Very low	138 Å²	138	102.5 Å²	102.5	64%	0.639	57%	0.569	S	S	*	*			trans	-85	102.3	-167.6	-94.8	-19.7	0	0	0	113	Q581	H451-Q581 PolarHBondContact CE1-OE1 3.09Å; H451-Q581 PolarHBondContact NE2-OE1 3.13Å
452	S	29.1	Very low	41.7	Very low	103 Å²	103	107.8 Å²	107.8	72%	0.72	59%	0.592	S	S	*	*			trans	-153.5	147.1	153	56.1	0	0	0	0	111.9	N450	N450-S452 PolarHBondContact O-N 2.81Å
453	S	28.8	Very low	41.8	Very low	114 Å²	114	108.6 Å²	108.6	80%	0.797	60%	0.596	S	S	*	*			trans	47.9	90.9	172.8	52.9	0	0	0	0	117	E455	S453-E455 PolarHBondContact O-N 3.08Å
454	K	40.1	Very low	42.2	Very low	211 Å²	211	109 Å²	109	92%	0.917	59%	0.593	S	S	*	*			trans	-72	105.7	148.5	-85.9	-172	178.9	-177.8	0	108.7
455	E	31.3	Very low	42.7	Very low	179 Å²	179	109.2 Å²	109.2	84%	0.836	59%	0.594	S	S	*	*			trans	-158.8	125.5	149.4	-119	160	-144.1	0	0	110	S453	S453-E455 PolarHBondContact O-N 3.08Å
456	L	36.3	Very low	43.3	Very low	166 Å²	166	107.3 Å²	107.3	87%	0.869	58%	0.58	S	S	*	*			trans	42.6	94.4	165.3	-59.9	171.5	0	0	0	118.3
457	C	26.7	Very low	44	Very low	134 Å²	134	105 Å²	105	91%	0.905	57%	0.571	S	S	*	*				-165	149.7	127.1	-113	0	0	0	0	112.2
458	E	36.6	Very low	45	Very low	184 Å²	184	101.8 Å²	101.8	86%	0.86	56%	0.562	S	S	*	*			trans	-85.9	110.9	165.9	-62.8	167.4	124.2	0	0	107.9
459	D	40.6	Very low	46	Very low	109 Å²	109	101.3 Å²	101.3	58%	0.583	56%	0.557	S	S	*	*			trans	175.8	122.4	149.3	-96.7	-42.1	0	0	0	111.6	K411 E461	K411-D459 WeakPolarHBondContact CE-OD2 3.45Å; K411-D459 IonicContact NZ-OD2 2.66Å; K411-D459 PolarHBondContact NZ-OD2 3.19Å; D459-E461 HydrophobicContact CB-CG 3.98Å; D459-E461 PolarHBondContact O-N 3.45Å; D459-E461 VanDerWaalsContact O-N 3.07Å
460	N	46.2	Very low	47.4	Very low	144 Å²	144	99.5 Å²	99.5	77%	0.77	54%	0.537	S	S	*	.			trans	-81.7	71.8	163.1	-85.9	-19.1	0	0	0	109	K462	N460-K462 PolarHBondContact O-N 2.83Å
461	E	54.9	Low	49.5	Very low	70 Å²	70	94 Å²	94	33%	0.327	51%	0.508	S	S	.	.			trans	-57.9	113	177.5	-67.1	-171.9	168	0	0	110.9	S409 K411 D459 L463	S409-E461 VanDerWaalsContact CB-OE2 3.32Å; S409-E461 WeakPolarHBondContact CB-OE2 3.32Å; K411-E461 WeakPolarHBondContact CD-OE1 3.44Å; K411-E461 WeakPolarHBondContact CE-OE1 3.39Å; K411-E461 IonicContact NZ-OE1 3.83Å; K411-E461 PolarHBondContact NZ-OE1 2.64Å; D459-E461 HydrophobicContact CB-CG 3.98Å; D459-E461 PolarHBondContact O-N 3.45Å; D459-E461 VanDerWaalsContact O-N 3.07Å; E461-L463 PolarHBondContact O-N 2.74Å
462	K	61.1	Low	51.3	Low	111 Å²	111	87.6 Å²	87.6	48%	0.483	48%	0.478	S	S	.	.			trans	-58.8	137.5	168.9	-52.2	-167.4	-152.8	96	0	108.5	S409 D410 N460 Y464	S409-K462 CarbonylContact C-O 3.54Å; S409-K462 WeakPolarHBondContact CA-O 3.3Å; D410-K462 HydrophobicContact CB-CB 4.25Å; D410-K462 PolarHBondContact N-O 3.35Å; D410-K462 IonicContact OD1-NZ 2.73Å; D410-K462 WeakPolarHBondContact OD2-CE 3.5Å; D410-K462 WeakPolarHBondContact OD2-CG 2.97Å; D410-K462 IonicContact OD2-NZ 2.62Å; D410-K462 PolarHBondContact OD2-NZ 2.97Å; N460-K462 PolarHBondContact O-N 2.83Å; K462-Y464 HydrophobicContact CB-CE2 3.9Å
463	L	66.4	Low	53.4	Low	17 Å²	17	83.3 Å²	83.3	9%	0.089	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	149.5	166.1	-70.7	-172.1	0	0	0	110.6	F408 P444 C445 K447 E461	F408-L463 CarbonylContact O-C 3.54Å; F408-L463 VanDerWaalsContact O-CA 3.28Å; F408-L463 WeakPolarHBondContact O-CA 3.33Å; F408-L463 WeakPolarHBondContact O-CD2 3.45Å; P444-L463 CarbonylContact C-O 3.52Å; P444-L463 WeakPolarHBondContact CA-O 3.28Å; C445-L463 HydrophobicContact CB-CB 4.28Å; C445-L463 PolarHBondContact N-O 3.48Å; C445-L463 VanDerWaalsContact O-O 3.11Å; K447-L463 HydrophobicContact CD-CD1 4.09Å; K447-L463 HydrophobicContact CD-CG 4.44Å; K447-L463 HydrophobicContact CG-CD1 3.33Å; K447-L463 HydrophobicContact CG-CG 3.95Å; E461-L463 PolarHBondContact O-N 2.74Å
464	Y	65.6	Low	55.9	Low	30 Å²	30	77.9 Å²	77.9	12%	0.118	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.7	170.9	-68.9	-100.3	0	0	0	108.5	S407 F408 D410 L413 L442 P444 K462	S407-Y464 CarbonylContact C-O 3.57Å; S407-Y464 VanDerWaalsContact CA-O 3.26Å; S407-Y464 WeakPolarHBondContact CA-O 3.44Å; F408-Y464 PolarHBondContact N-O 3.3Å; F408-Y464 PolarHBondContact O-N 3.34Å; D410-Y464 HydrophobicContact CB-CE2 4.44Å; D410-Y464 WeakPolarHBondContact OD1-CE2 3.36Å; L413-Y464 HydrophobicContact CD1-CD2 4.04Å; L413-Y464 HydrophobicContact CD1-CG 4.17Å; L413-Y464 HydrophobicContact CD2-CD1 3.84Å; L413-Y464 HydrophobicContact CD2-CD2 3.68Å; L413-Y464 HydrophobicContact CD2-CE1 4.16Å; L413-Y464 HydrophobicContact CD2-CE2 4.05Å; L413-Y464 HydrophobicContact CD2-CG 3.6Å; L413-Y464 HydrophobicContact CG-CD2 4.47Å; L442-Y464 HydrophobicContact CB-CD1 4.18Å; P444-Y464 HydrophobicContact CG-CD1 4.14Å; P444-Y464 HydrophobicContact CG-CE1 3.78Å; K462-Y464 HydrophobicContact CB-CE2 3.9Å
465	V	64.8	Low	58.1	Low	37 Å²	37	67.8 Å²	67.8	22%	0.224	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	157.7	172.8	-60.9	0	0	0	0	108.9	T406 L442 A443 C445 A467	T406-V465 WeakPolarHBondContact O-CA 3.27Å; T406-V465 WeakPolarHBondContact O-CB 3.48Å; T406-V465 WeakPolarHBondContact O-CG1 3.32Å; L442-V465 CarbonylContact C-O 3.54Å; L442-V465 WeakPolarHBondContact CA-O 3.47Å; A443-V465 PolarHBondContact N-O 3.23Å; A443-V465 WeakPolarHBondContact O-CG2 3.33Å; A443-V465 PolarHBondContact O-N 2.93Å; C445-V465 HydrophobicContact CB-CB 4.41Å; C445-V465 HydrophobicContact CB-CG1 3.59Å; C445-V465 HydrophobicContact CB-CG2 4.05Å; V465-A467 PolarHBondContact O-N 2.8Å
466	F	60.1	Low	60.5	Low	9 Å²	9	59.3 Å²	59.3	4%	0.039	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	130.5	174.2	-81.2	-94.7	0	0	0	111.4	V393 A397 F408 F441 L442 V468 Q472 L475	V393-F466 HydrophobicContact CG1-CE1 3.5Å; V393-F466 HydrophobicContact CG1-CZ 3.68Å; A397-F466 HydrophobicContact CB-CE1 4.17Å; A397-F466 HydrophobicContact CB-CE2 3.98Å; A397-F466 HydrophobicContact CB-CZ 3.5Å; F408-F466 HydrophobicContact CD2-CE2 4.46Å; F408-F466 AromaticContact CE2-CD2 3.85Å; F408-F466 HydrophobicContact CE2-CD2 3.85Å; F408-F466 AromaticContact CE2-CE2 3.57Å; F408-F466 HydrophobicContact CE2-CE2 3.57Å; F408-F466 HydrophobicContact CZ-CE2 4Å; F441-F466 CarbonylContact O-C 3.59Å; F441-F466 WeakPolarHBondContact O-CA 3.36Å; L442-F466 HydrophobicContact CD2-CD1 3.85Å; L442-F466 HydrophobicContact CD2-CD2 3.68Å; L442-F466 HydrophobicContact CD2-CE1 3.78Å; L442-F466 HydrophobicContact CD2-CE2 3.6Å; L442-F466 HydrophobicContact CD2-CG 3.8Å; L442-F466 HydrophobicContact CD2-CZ 3.64Å; F466-V468 PolarHBondContact O-N 3.34Å; F466-Q472 HydrophobicContact CB-CB 3.9Å; F466-Q472 HydrophobicContact CD1-CB 4.01Å; F466-Q472 HydrophobicContact CD2-CB 3.51Å; F466-Q472 HydrophobicContact CD2-CG 3.44Å; F466-Q472 VanDerWaalsContact CD2-CG 3.44Å; F466-Q472 HydrophobicContact CE1-CB 4.47Å; F466-Q472 HydrophobicContact CE2-CB 4.04Å; F466-Q472 HydrophobicContact CE2-CG 3.59Å; F466-Q472 HydrophobicContact CG-CB 3.5Å; F466-Q472 HydrophobicContact CG-CG 4Å; F466-Q472 HydrophobicContact CZ-CB 4.5Å; F466-Q472 HydrophobicContact CZ-CG 4.26Å; F466-L475 HydrophobicContact CE1-CD1 4.01Å
467	A	60.3	Low	62.4	Low	47 Å²	47	51.4 Å²	51.4	39%	0.388	28%	0.283	S	S	.	.	S	Bend	trans	-60.3	-28.5	-175.3	0	0	0	0	0	112.8	F441 A443 V465	F441-A467 PolarHBondContact O-N 3.38Å; A443-A467 HydrophobicContact CB-CB 4.25Å; V465-A467 PolarHBondContact O-N 2.8Å
468	V	59.8	Low	65.2	Low	65 Å²	65	45 Å²	45	39%	0.394	24%	0.24	S	C	.	.	S	Bend	trans	-130.7	122.6	161.9	-179.6	0	0	0	0	107.1	F466 A470 L471	F466-V468 PolarHBondContact O-N 3.34Å; V468-A470 VanDerWaalsContact C-N 3.27Å; V468-A470 HydrophobicContact CG1-CB 4.3Å; V468-A470 PolarHBondContact O-N 2.87Å; V468-L471 HydrophobicContact CB-CD1 3.79Å; V468-L471 HydrophobicContact CB-CG 3.94Å; V468-L471 HydrophobicContact CG2-CD1 4.09Å; V468-L471 WeakPolarHBondContact O-CB 3.33Å; V468-L471 PolarHBondContact O-N 3.35Å
469	P	57.6	Low	67.5	Low	84 Å²	84	36.8 Å²	36.8	55%	0.545	20%	0.201	S	C	.	.	H	α-helix	trans	-55.2	-37.7	-176.6	-30.1	36.5	0	0	0	114.3	L471 Q472 E473	P469-L471 PolarHBondContact O-N 3.3Å; P469-Q472 WeakPolarHBondContact O-CB 3.31Å; P469-Q472 PolarHBondContact O-N 3.29Å; P469-E473 PolarHBondContact O-N 2.81Å
470	A	60.4	Low	69.3	Low	12 Å²	12	31.6 Å²	31.6	10%	0.099	17%	0.174	C	C	.	.	H	α-helix	trans	-62.2	-23.3	176.1	0	0	0	0	0	114	Y355 V468 E473 Y474 L593 F597	Y355-A470 HydrophobicContact CE1-CB 4.29Å; Y355-A470 WeakPolarHBondContact OH-CB 3.25Å; V468-A470 VanDerWaalsContact C-N 3.27Å; V468-A470 HydrophobicContact CG1-CB 4.3Å; V468-A470 PolarHBondContact O-N 2.87Å; A470-E473 PolarHBondContact O-N 2.86Å; A470-Y474 WeakPolarHBondContact O-CB 3.4Å; A470-Y474 PolarHBondContact O-N 3.47Å; A470-L593 HydrophobicContact CB-CD1 3.74Å; A470-F597 HydrophobicContact CB-CE2 4.37Å; A470-F597 HydrophobicContact CB-CZ 4.4Å; A470-F597 WeakPolarHBondContact O-CE2 3.29Å
471	L	72.4	Confident	70.7	Confident	11 Å²	11	24.8 Å²	24.8	6%	0.058	14%	0.137	C	C	.	.	H	α-helix	trans	-70.5	-31.5	172	-64.8	170	0	0	0	111.7	Y355 F359 V468 P469 E473 L475	Y355-L471 HydrophobicContact CD1-CD2 3.78Å; Y355-L471 HydrophobicContact CE1-CD2 3.63Å; Y355-L471 HydrophobicContact CE1-CG 4.23Å; F359-L471 HydrophobicContact CE2-CD2 4.13Å; F359-L471 HydrophobicContact CZ-CD2 3.68Å; V468-L471 HydrophobicContact CB-CD1 3.79Å; V468-L471 HydrophobicContact CB-CG 3.94Å; V468-L471 HydrophobicContact CG2-CD1 4.09Å; V468-L471 WeakPolarHBondContact O-CB 3.33Å; V468-L471 PolarHBondContact O-N 3.35Å; P469-L471 PolarHBondContact O-N 3.3Å; L471-E473 VanDerWaalsContact C-N 3.32Å; L471-L475 VanDerWaalsContact O-CB 3.28Å; L471-L475 WeakPolarHBondContact O-CB 3.1Å; L471-L475 WeakPolarHBondContact O-CD1 3.3Å; L471-L475 VanDerWaalsContact O-CG 3.22Å; L471-L475 WeakPolarHBondContact O-CG 3.29Å; L471-L475 PolarHBondContact O-N 3.22Å
472	Q	78.7	Confident	71.7	Confident	2 Å²	2	21.6 Å²	21.6	1%	0.009	12%	0.122	C	C	.	.	H	α-helix	trans	-58.3	-50.2	170.7	-170	172.8	-20.1	0	0	109.4	A397 V401 R405 F466 P469 L475 A476 F591	A397-Q472 HydrophobicContact CB-CG 3.89Å; A397-Q472 WeakPolarHBondContact CB-O 3.44Å; V401-Q472 HydrophobicContact CG2-CG 4.16Å; R405-Q472 PolarHBondContact O-NE2 2.82Å; F466-Q472 HydrophobicContact CB-CB 3.9Å; F466-Q472 HydrophobicContact CD1-CB 4.01Å; F466-Q472 HydrophobicContact CD2-CB 3.51Å; F466-Q472 HydrophobicContact CD2-CG 3.44Å; F466-Q472 VanDerWaalsContact CD2-CG 3.44Å; F466-Q472 HydrophobicContact CE1-CB 4.47Å; F466-Q472 HydrophobicContact CE2-CB 4.04Å; F466-Q472 HydrophobicContact CE2-CG 3.59Å; F466-Q472 HydrophobicContact CG-CB 3.5Å; F466-Q472 HydrophobicContact CG-CG 4Å; F466-Q472 HydrophobicContact CZ-CB 4.5Å; F466-Q472 HydrophobicContact CZ-CG 4.26Å; P469-Q472 WeakPolarHBondContact O-CB 3.31Å; P469-Q472 PolarHBondContact O-N 3.29Å; Q472-L475 PolarHBondContact O-N 3.02Å; Q472-A476 WeakPolarHBondContact O-CB 3.13Å; Q472-A476 PolarHBondContact O-N 3.34Å; Q472-F591 HydrophobicContact CG-CE1 4.29Å
473	E	73.7	Confident	71.8	Confident	13 Å²	13	16.8 Å²	16.8	6%	0.061	10%	0.104	C	C	.	.	H	α-helix	trans	-67.8	-41.3	-175.7	-60.5	-170.9	-106.4	0	0	112.5	V401 P469 A470 L471 A477 F591 E592 L593 Y594 F597	V401-E473 HydrophobicContact CG2-CG 4.42Å; P469-E473 PolarHBondContact O-N 2.81Å; A470-E473 PolarHBondContact O-N 2.86Å; L471-E473 VanDerWaalsContact C-N 3.32Å; E473-A477 WeakPolarHBondContact O-CB 3.41Å; E473-A477 PolarHBondContact O-N 2.79Å; E473-F591 HydrophobicContact CG-CB 4.3Å; E473-F591 HydrophobicContact CG-CD1 3.65Å; E473-F591 HydrophobicContact CG-CG 4.42Å; E473-F591 WeakPolarHBondContact OE2-CA 3.42Å; E473-E592 PolarHBondContact OE2-N 2.84Å; E473-L593 HydrophobicContact CB-CB 4.32Å; E473-L593 WeakPolarHBondContact OE2-CA 3.35Å; E473-L593 PolarHBondContact OE2-N 3.32Å; E473-Y594 PolarHBondContact OE2-N 2.91Å; E473-F597 HydrophobicContact CB-CD2 3.88Å; E473-F597 HydrophobicContact CB-CE2 3.98Å
474	Y	81.1	Confident	71.7	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.3	-46.9	174.7	179.4	-81.6	0	0	0	112.1	T352 Y355 T356 F359 A470 A477 L478 F597 L601	T352-Y474 HydrophobicContact CG2-CE2 4.06Å; Y355-Y474 VanDerWaalsContact CB-CD2 3.49Å; Y355-Y474 VanDerWaalsContact CB-CE2 3.49Å; Y355-Y474 HydrophobicContact CD1-CD2 4.27Å; Y355-Y474 HydrophobicContact CD1-CG 4.3Å; Y355-Y474 HydrophobicContact CG-CD2 4.11Å; T356-Y474 WeakPolarHBondContact CA-OH 3.4Å; T356-Y474 WeakPolarHBondContact CB-OH 3.43Å; T356-Y474 PolarHBondContact OG1-OH 3.46Å; F359-Y474 AromaticContact CD2-CD1 3.94Å; F359-Y474 HydrophobicContact CD2-CD1 3.94Å; F359-Y474 AromaticContact CD2-CE1 3.31Å; F359-Y474 HydrophobicContact CD2-CE1 3.31Å; F359-Y474 AromaticContact CD2-CZ 3.7Å; F359-Y474 AromaticContact CE2-CD1 3.32Å; F359-Y474 HydrophobicContact CE2-CD1 3.32Å; F359-Y474 AromaticContact CE2-CE1 3.22Å; F359-Y474 HydrophobicContact CE2-CE1 3.22Å; F359-Y474 HydrophobicContact CE2-CG 4.12Å; F359-Y474 AromaticContact CE2-CZ 3.95Å; F359-Y474 HydrophobicContact CG-CE1 4.44Å; F359-Y474 HydrophobicContact CZ-CD1 4.19Å; F359-Y474 HydrophobicContact CZ-CE1 4.29Å; A470-Y474 WeakPolarHBondContact O-CB 3.4Å; A470-Y474 PolarHBondContact O-N 3.47Å; Y474-A477 WeakPolarHBondContact O-CB 3.27Å; Y474-A477 PolarHBondContact O-N 3.25Å; Y474-L478 HydrophobicContact CE1-CB 4.37Å; Y474-L478 HydrophobicContact CE1-CD2 3.75Å; Y474-L478 WeakPolarHBondContact O-CB 3.28Å; Y474-L478 PolarHBondContact O-N 3.03Å; Y474-F597 AromaticContact CD2-CD1 3.65Å; Y474-F597 HydrophobicContact CD2-CD1 3.65Å; Y474-F597 AromaticContact CD2-CE1 3.91Å; Y474-F597 HydrophobicContact CD2-CE1 3.91Å; Y474-F597 HydrophobicContact CD2-CG 4.09Å; Y474-F597 HydrophobicContact CG-CD1 4.47Å; Y474-L601 HydrophobicContact CE2-CD2 3.75Å
475	L	86.1	Confident	71.3	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-71.9	-35.7	-177.7	-69.2	170.6	0	0	0	112.1	F359 M386 V389 V390 V393 G394 A397 F441 F466 L471 Q472 A477 L478 Y479	F359-L475 HydrophobicContact CZ-CD2 4.17Å; M386-L475 HydrophobicContact CE-CD2 4.05Å; V389-L475 HydrophobicContact CG1-CD2 4.45Å; V390-L475 HydrophobicContact CG2-CD2 4.34Å; V393-L475 HydrophobicContact CG1-CD1 3.88Å; G394-L475 WeakPolarHBondContact CA-O 3.28Å; A397-L475 HydrophobicContact CB-CB 4.16Å; F441-L475 HydrophobicContact CD1-CD1 3.55Å; F441-L475 HydrophobicContact CE1-CD1 3.67Å; F441-L475 HydrophobicContact CE1-CD2 4.48Å; F441-L475 HydrophobicContact CG-CD1 4.38Å; F466-L475 HydrophobicContact CE1-CD1 4.01Å; L471-L475 VanDerWaalsContact O-CB 3.28Å; L471-L475 WeakPolarHBondContact O-CB 3.1Å; L471-L475 WeakPolarHBondContact O-CD1 3.3Å; L471-L475 VanDerWaalsContact O-CG 3.22Å; L471-L475 WeakPolarHBondContact O-CG 3.29Å; L471-L475 PolarHBondContact O-N 3.22Å; Q472-L475 PolarHBondContact O-N 3.02Å; L475-A477 VanDerWaalsContact C-N 3.33Å; L475-L478 PolarHBondContact O-N 3.12Å; L475-Y479 WeakPolarHBondContact O-CB 3.49Å; L475-Y479 PolarHBondContact O-N 3.08Å
476	A	80.8	Confident	70.9	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.9	-46.1	169.5	0	0	0	0	0	111.3	A397 V401 Q472 I480 Y594	A397-A476 HydrophobicContact CB-CB 4.09Å; V401-A476 HydrophobicContact CB-CB 4.4Å; V401-A476 HydrophobicContact CG2-CB 3.86Å; Q472-A476 WeakPolarHBondContact O-CB 3.13Å; Q472-A476 PolarHBondContact O-N 3.34Å; A476-I480 PolarHBondContact O-N 3.44Å; A476-Y594 HydrophobicContact CB-CD2 3.75Å; A476-Y594 HydrophobicContact CB-CE2 3.75Å
477	A	77.2	Confident	70.6	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-47.9	176.8	0	0	0	0	0	111.4	E473 Y474 L475 Y479 I480 V481 Y594 F597 M598 L601	E473-A477 WeakPolarHBondContact O-CB 3.41Å; E473-A477 PolarHBondContact O-N 2.79Å; Y474-A477 WeakPolarHBondContact O-CB 3.27Å; Y474-A477 PolarHBondContact O-N 3.25Å; L475-A477 VanDerWaalsContact C-N 3.33Å; A477-Y479 PolarHBondContact O-N 2.66Å; A477-I480 PolarHBondContact O-N 3.3Å; A477-V481 PolarHBondContact O-N 3.33Å; A477-Y594 HydrophobicContact CB-CD2 4.17Å; A477-Y594 HydrophobicContact CB-CE2 4.24Å; A477-F597 HydrophobicContact CB-CB 3.75Å; A477-M598 HydrophobicContact CB-CB 4.49Å; A477-M598 HydrophobicContact CB-CE 4.12Å; A477-M598 HydrophobicContact CB-CG 3.7Å; A477-M598 HydrophobicContact CB-SD 4.26Å; A477-M598 WeakPolarHBondContact O-CE 3.11Å; A477-L601 HydrophobicContact CB-CD1 3.74Å
478	L	85.3	Confident	70.1	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-40.2	-178.5	-176.8	52.5	0	0	0	112.6	M386 V390 Y474 L475 I480 V481 L482 L601 L610	M386-L478 HydrophobicContact CE-CD2 4.02Å; V390-L478 HydrophobicContact CG1-CB 4.47Å; V390-L478 HydrophobicContact CG1-CG 4.07Å; V390-L478 HydrophobicContact CG2-CD2 3.6Å; V390-L478 HydrophobicContact CG2-CG 3.92Å; Y474-L478 HydrophobicContact CE1-CB 4.37Å; Y474-L478 HydrophobicContact CE1-CD2 3.75Å; Y474-L478 WeakPolarHBondContact O-CB 3.28Å; Y474-L478 PolarHBondContact O-N 3.03Å; L475-L478 PolarHBondContact O-N 3.12Å; L478-I480 VanDerWaalsContact C-N 3.3Å; L478-I480 PolarHBondContact O-N 3.34Å; L478-V481 HydrophobicContact CD1-CG1 4.18Å; L478-V481 PolarHBondContact O-N 3.04Å; L478-L482 HydrophobicContact CD1-CD1 3.88Å; L478-L482 HydrophobicContact CD1-CG 4.08Å; L478-L482 HydrophobicContact CG-CD1 4.06Å; L478-L482 WeakPolarHBondContact O-CD1 3.27Å; L478-L482 WeakPolarHBondContact O-CG 3.45Å; L478-L482 PolarHBondContact O-N 3.25Å; L478-L601 HydrophobicContact CB-CD1 3.87Å; L478-L601 HydrophobicContact CD1-CD1 4.39Å; L478-L601 HydrophobicContact CD1-CD2 4.32Å; L478-L610 HydrophobicContact CD1-CD1 3.81Å; L478-L610 HydrophobicContact CD1-CD2 3.73Å; L478-L610 HydrophobicContact CD1-CG 4.41Å; L478-L610 HydrophobicContact CD2-CD2 3.87Å; L478-L610 HydrophobicContact CG-CD2 4.5Å
479	Y	84.6	Confident	69.7	Low	11 Å²	11	23.5 Å²	23.5	4%	0.043	13%	0.128	C	C	.	.	H	α-helix	trans	-57.6	-40.8	173.9	178.5	-111.5	0	0	0	112.9	V390 K395 Y398 L475 A477 E484 N485	V390-Y479 HydrophobicContact CG1-CD2 4.4Å; V390-Y479 VanDerWaalsContact O-CD2 3.31Å; V390-Y479 WeakPolarHBondContact O-CD2 3.45Å; K395-Y479 HydrophobicContact CB-CD1 4.33Å; K395-Y479 HydrophobicContact CB-CD2 4.14Å; K395-Y479 HydrophobicContact CB-CE1 3.99Å; K395-Y479 HydrophobicContact CB-CE2 3.8Å; K395-Y479 HydrophobicContact CB-CG 4.41Å; K395-Y479 HydrophobicContact CD-CE2 4.39Å; K395-Y479 HydrophobicContact CG-CE1 3.86Å; K395-Y479 HydrophobicContact CG-CE2 4.15Å; Y398-Y479 HydrophobicContact CD1-CD1 4.36Å; Y398-Y479 HydrophobicContact CD1-CE1 4.34Å; Y398-Y479 HydrophobicContact CG-CD1 4.17Å; L475-Y479 WeakPolarHBondContact O-CB 3.49Å; L475-Y479 PolarHBondContact O-N 3.08Å; A477-Y479 PolarHBondContact O-N 2.66Å; Y479-E484 HydrophobicContact CD2-CB 4.03Å; Y479-E484 HydrophobicContact CD2-CG 4.46Å; Y479-E484 HydrophobicContact CE2-CB 3.57Å; Y479-E484 HydrophobicContact CE2-CG 4.36Å; Y479-N485 HydrophobicContact CE1-CB 3.74Å
480	I	78.1	Confident	69.5	Low	1 Å²	1	26 Å²	26	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-75.4	-42.1	177.9	-68	-55.1	0	0	0	112.5	Y398 A476 A477 L478 L482 G483 N485 A488 L492 M598	Y398-I480 HydrophobicContact CD1-CD1 4.21Å; Y398-I480 HydrophobicContact CD2-CD1 3.68Å; Y398-I480 HydrophobicContact CD2-CG1 3.4Å; Y398-I480 VanDerWaalsContact CD2-CG1 3.4Å; Y398-I480 HydrophobicContact CE1-CD1 4.09Å; Y398-I480 HydrophobicContact CE2-CD1 3.56Å; Y398-I480 HydrophobicContact CE2-CG1 3.53Å; Y398-I480 HydrophobicContact CG-CD1 4.03Å; Y398-I480 HydrophobicContact CG-CG1 4.07Å; A476-I480 PolarHBondContact O-N 3.44Å; A477-I480 PolarHBondContact O-N 3.3Å; L478-I480 VanDerWaalsContact C-N 3.3Å; L478-I480 PolarHBondContact O-N 3.34Å; I480-L482 VanDerWaalsContact C-N 3.26Å; I480-L482 PolarHBondContact O-N 3.28Å; I480-G483 PolarHBondContact O-N 2.8Å; I480-N485 HydrophobicContact CD1-CB 4.19Å; I480-A488 HydrophobicContact CD1-CB 3.51Å; I480-L492 HydrophobicContact CG2-CD1 3.57Å; I480-M598 HydrophobicContact CB-CE 4.2Å; I480-M598 HydrophobicContact CB-SD 4.04Å; I480-M598 HydrophobicContact CG2-CE 4.09Å; I480-M598 HydrophobicContact CG2-SD 3.79Å
481	V	75.4	Confident	69.2	Low	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.7	-31	-175.9	107.9	0	0	0	0	112.1	A477 L478 G483 M598 L601 L602 V617 T621 I625	A477-V481 PolarHBondContact O-N 3.33Å; L478-V481 HydrophobicContact CD1-CG1 4.18Å; L478-V481 PolarHBondContact O-N 3.04Å; V481-G483 PolarHBondContact O-N 3.37Å; V481-M598 HydrophobicContact CB-CE 3.63Å; V481-M598 HydrophobicContact CG2-CE 3.62Å; V481-L601 HydrophobicContact CG1-CB 4.07Å; V481-L601 HydrophobicContact CG1-CD1 4.48Å; V481-L601 HydrophobicContact CG2-CB 4.39Å; V481-L602 HydrophobicContact CG2-CD2 3.5Å; V481-L602 HydrophobicContact CG2-CG 3.86Å; V481-V617 HydrophobicContact CG1-CG1 4.09Å; V481-V617 HydrophobicContact CG1-CG2 3.67Å; V481-V617 WeakPolarHBondContact O-CG1 3.48Å; V481-T621 VanDerWaalsContact O-CG2 3.29Å; V481-T621 WeakPolarHBondContact O-CG2 3.18Å; V481-I625 HydrophobicContact CG2-CD1 3.91Å
482	L	77.2	Confident	68.3	Low	3 Å²	3	33.3 Å²	33.3	2%	0.016	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-18.2	174.7	-70.2	163.5	0	0	0	113.1	V390 L478 I480 E484 C615 V617	V390-L482 HydrophobicContact CB-CD1 4.43Å; V390-L482 HydrophobicContact CG1-CD1 3.72Å; L478-L482 HydrophobicContact CD1-CD1 3.88Å; L478-L482 HydrophobicContact CD1-CG 4.08Å; L478-L482 HydrophobicContact CG-CD1 4.06Å; L478-L482 WeakPolarHBondContact O-CD1 3.27Å; L478-L482 WeakPolarHBondContact O-CG 3.45Å; L478-L482 PolarHBondContact O-N 3.25Å; I480-L482 VanDerWaalsContact C-N 3.26Å; I480-L482 PolarHBondContact O-N 3.28Å; L482-E484 HydrophobicContact CB-CG 3.97Å; L482-C615 HydrophobicContact CD1-CB 4.19Å; L482-C615 HydrophobicContact CD2-CB 3.99Å; L482-C615 WeakPolarHBondContact CD2-O 3.49Å; L482-V617 HydrophobicContact CD2-CG2 3.83Å
483	G	62.8	Low	66.8	Low	10 Å²	10	35.9 Å²	35.9	10%	0.103	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	10.2	177.8	0	0	0	0	0	115	I480 V481 N485	I480-G483 PolarHBondContact O-N 2.8Å; V481-G483 PolarHBondContact O-N 3.37Å; G483-N485 PolarHBondContact O-N 3.24Å
484	E	62.9	Low	65.2	Low	67 Å²	67	37.9 Å²	37.9	31%	0.313	20%	0.195	S	C	.	.			trans	-63	-29.8	-174.8	-58	-53.1	147	0	0	113.2	R387 L391 Y479 L482	R387-E484 IonicContact CZ-OE1 2.68Å; R387-E484 IonicContact NH1-OE1 3.57Å; R387-E484 PolarHBondContact NH1-OE1 2.8Å; R387-E484 IonicContact NH2-OE1 2.72Å; R387-E484 PolarHBondContact NH2-OE1 2.7Å; R387-E484 IonicContact NH2-OE2 2.72Å; L391-E484 HydrophobicContact CD2-CB 4.14Å; L391-E484 HydrophobicContact CD2-CG 3.7Å; Y479-E484 HydrophobicContact CD2-CB 4.03Å; Y479-E484 HydrophobicContact CD2-CG 4.46Å; Y479-E484 HydrophobicContact CE2-CB 3.57Å; Y479-E484 HydrophobicContact CE2-CG 4.36Å; L482-E484 HydrophobicContact CB-CG 3.97Å
485	N	57.9	Low	63.3	Low	37 Å²	37	43.1 Å²	43.1	20%	0.198	22%	0.22	C	C	.	.			trans	-105.1	82.9	169	-169.7	-12.4	0	0	0	110.9	Y479 I480 G483 S487 A488 L489	Y479-N485 HydrophobicContact CE1-CB 3.74Å; I480-N485 HydrophobicContact CD1-CB 4.19Å; G483-N485 PolarHBondContact O-N 3.24Å; N485-S487 PolarHBondContact O-N 2.99Å; N485-S487 VanDerWaalsContact O-N 3.14Å; N485-S487 PolarHBondContact OD1-N 3.37Å; N485-S487 PolarHBondContact OD1-OG 3.08Å; N485-A488 HydrophobicContact CB-CB 3.79Å; N485-A488 WeakPolarHBondContact ND2-CB 3.45Å; N485-A488 PolarHBondContact O-N 3.47Å; N485-A488 PolarHBondContact OD1-N 3.4Å; N485-L489 PolarHBondContact O-N 2.98Å
486	K	56.9	Low	61	Low	162 Å²	162	45 Å²	45	70%	0.704	23%	0.231	S	C	*	.	H	α-helix	trans	-52.8	-33.4	175	-64.9	176.7	-176.9	171.6	0	112.8	Q490	K486-Q490 WeakPolarHBondContact O-CB 3.45Å; K486-Q490 VanDerWaalsContact O-CG 3.26Å; K486-Q490 WeakPolarHBondContact O-CG 3.29Å; K486-Q490 PolarHBondContact O-N 3.2Å
487	S	53.5	Low	58.7	Low	65 Å²	65	48 Å²	48	46%	0.455	25%	0.252	S	S	.	.	H	α-helix	trans	-73.2	-34.4	177.3	81.8	0	0	0	0	112.8	N485 K491	N485-S487 PolarHBondContact O-N 2.99Å; N485-S487 VanDerWaalsContact O-N 3.14Å; N485-S487 PolarHBondContact OD1-N 3.37Å; N485-S487 PolarHBondContact OD1-OG 3.08Å; S487-K491 VanDerWaalsContact O-CB 3.31Å; S487-K491 WeakPolarHBondContact O-CB 3.28Å; S487-K491 VanDerWaalsContact O-CG 3.3Å; S487-K491 WeakPolarHBondContact O-CG 3.33Å; S487-K491 PolarHBondContact O-N 3.04Å
488	A	50.4	Low	56.6	Low	1 Å²	1	51.7 Å²	51.7	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-74.1	-37.5	173	0	0	0	0	0	112.1	Y398 I480 N485 Q490 K491 L492	Y398-A488 HydrophobicContact CE1-CB 3.93Å; Y398-A488 VanDerWaalsContact OH-CB 3.28Å; Y398-A488 WeakPolarHBondContact OH-CB 3.47Å; I480-A488 HydrophobicContact CD1-CB 3.51Å; N485-A488 HydrophobicContact CB-CB 3.79Å; N485-A488 WeakPolarHBondContact ND2-CB 3.45Å; N485-A488 PolarHBondContact O-N 3.47Å; N485-A488 PolarHBondContact OD1-N 3.4Å; A488-Q490 VanDerWaalsContact C-N 3.33Å; A488-K491 CarbonylContact O-C 3.57Å; A488-K491 PolarHBondContact O-N 3.4Å; A488-L492 WeakPolarHBondContact O-CB 3.33Å; A488-L492 PolarHBondContact O-N 3.23Å
489	L	50.3	Low	54	Low	14 Å²	14	54.2 Å²	54.2	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-41.5	172.7	-177.1	63.1	0	0	0	111.2	N485 T493 T621 I625	N485-L489 PolarHBondContact O-N 2.98Å; L489-T493 WeakPolarHBondContact O-CB 3.36Å; L489-T493 PolarHBondContact O-N 3Å; L489-T493 PolarHBondContact O-OG1 2.95Å; L489-T621 HydrophobicContact CD1-CG2 4.1Å; L489-T621 HydrophobicContact CD2-CG2 3.87Å; L489-I625 HydrophobicContact CD1-CD1 3.82Å; L489-I625 HydrophobicContact CD1-CG1 3.6Å
490	Q	54.1	Low	51.4	Low	137 Å²	137	56.9 Å²	56.9	64%	0.64	31%	0.31	S	S	*	.	H	α-helix	trans	-65.3	-42.4	170.2	-76.4	174.5	-13.6	0	0	112	K486 A488 T493 S494	K486-Q490 WeakPolarHBondContact O-CB 3.45Å; K486-Q490 VanDerWaalsContact O-CG 3.26Å; K486-Q490 WeakPolarHBondContact O-CG 3.29Å; K486-Q490 PolarHBondContact O-N 3.2Å; A488-Q490 VanDerWaalsContact C-N 3.33Å; Q490-T493 PolarHBondContact O-N 3.14Å; Q490-S494 VanDerWaalsContact O-CB 3.25Å; Q490-S494 WeakPolarHBondContact O-CB 3.48Å; Q490-S494 PolarHBondContact O-N 3.13Å; Q490-S494 PolarHBondContact O-OG 3.09Å; Q490-S494 VanDerWaalsContact O-OG 3.07Å
491	K	54.9	Low	49.1	Very low	124 Å²	124	59.8 Å²	59.8	54%	0.539	34%	0.34	S	S	.	.	H	α-helix	trans	-65.6	-37	175.8	-82.3	179.8	176.2	-176.1	0	113.2	S487 A488 S494 Q495	S487-K491 VanDerWaalsContact O-CB 3.31Å; S487-K491 WeakPolarHBondContact O-CB 3.28Å; S487-K491 VanDerWaalsContact O-CG 3.3Å; S487-K491 WeakPolarHBondContact O-CG 3.33Å; S487-K491 PolarHBondContact O-N 3.04Å; A488-K491 CarbonylContact O-C 3.57Å; A488-K491 PolarHBondContact O-N 3.4Å; K491-S494 WeakPolarHBondContact CA-OG 3.31Å; K491-S494 PolarHBondContact O-N 3.25Å; K491-S494 PolarHBondContact O-OG 2.92Å; K491-Q495 WeakPolarHBondContact O-CA 3.35Å; K491-Q495 WeakPolarHBondContact O-CB 3.48Å; K491-Q495 WeakPolarHBondContact O-CG 3.37Å; K491-Q495 PolarHBondContact O-N 2.75Å; K491-Q495 PolarHBondContact O-OE1 3.37Å
492	L	52.4	Low	47	Very low	52 Å²	52	65.8 Å²	65.8	27%	0.272	37%	0.368	S	S	.	.	H	α-helix	trans	-66.2	-47.1	172.7	-82.2	161.4	0	0	0	110.3	I480 A488 S494 V496	I480-L492 HydrophobicContact CG2-CD1 3.57Å; A488-L492 WeakPolarHBondContact O-CB 3.33Å; A488-L492 PolarHBondContact O-N 3.23Å; L492-S494 VanDerWaalsContact C-N 3.28Å; L492-S494 PolarHBondContact O-N 3.08Å; L492-V496 VanDerWaalsContact O-CB 3.26Å; L492-V496 WeakPolarHBondContact O-CB 3.43Å; L492-V496 WeakPolarHBondContact O-CG2 3.48Å; L492-V496 PolarHBondContact O-N 3.17Å
493	T	46.6	Very low	44.9	Very low	56 Å²	56	70 Å²	70	34%	0.344	40%	0.403	S	S	.	.	H	α-helix	trans	-60.9	-37	176.1	-53.4	0	0	0	0	112	L489 Q490 S497	L489-T493 WeakPolarHBondContact O-CB 3.36Å; L489-T493 PolarHBondContact O-N 3Å; L489-T493 PolarHBondContact O-OG1 2.95Å; Q490-T493 PolarHBondContact O-N 3.14Å; T493-S497 PolarHBondContact O-N 3.36Å; T493-S497 PolarHBondContact O-OG 3.27Å
494	S	41.5	Very low	43.4	Very low	56 Å²	56	74.6 Å²	74.6	39%	0.392	43%	0.434	S	S	.	.	H	α-helix	trans	-87.9	-30.9	-178.6	74.9	0	0	0	0	113.9	Q490 K491 L492 S497 V498	Q490-S494 VanDerWaalsContact O-CB 3.25Å; Q490-S494 WeakPolarHBondContact O-CB 3.48Å; Q490-S494 PolarHBondContact O-N 3.13Å; Q490-S494 PolarHBondContact O-OG 3.09Å; Q490-S494 VanDerWaalsContact O-OG 3.07Å; K491-S494 WeakPolarHBondContact CA-OG 3.31Å; K491-S494 PolarHBondContact O-N 3.25Å; K491-S494 PolarHBondContact O-OG 2.92Å; L492-S494 VanDerWaalsContact C-N 3.28Å; L492-S494 PolarHBondContact O-N 3.08Å; S494-S497 CarbonylContact O-C 3.59Å; S494-S497 VanDerWaalsContact O-C 3.22Å; S494-S497 VanDerWaalsContact O-CA 3.24Å; S494-S497 WeakPolarHBondContact O-CA 3.3Å; S494-S497 WeakPolarHBondContact O-CB 3.44Å; S494-S497 PolarHBondContact O-N 3.41Å; S494-V498 WeakPolarHBondContact O-CB 3.36Å; S494-V498 VanDerWaalsContact O-CG2 3.25Å; S494-V498 WeakPolarHBondContact O-CG2 3.35Å; S494-V498 PolarHBondContact O-N 3.14Å
495	Q	41.3	Very low	42.1	Very low	110 Å²	110	78.2 Å²	78.2	51%	0.514	45%	0.451	S	S	.	.	H	α-helix	trans	-69.1	-39.7	170.3	-75.1	172.8	-45.7	0	0	110.4	K491 S497 V498 A499	K491-Q495 WeakPolarHBondContact O-CA 3.35Å; K491-Q495 WeakPolarHBondContact O-CB 3.48Å; K491-Q495 WeakPolarHBondContact O-CG 3.37Å; K491-Q495 PolarHBondContact O-N 2.75Å; K491-Q495 PolarHBondContact O-OE1 3.37Å; Q495-S497 PolarHBondContact O-N 3.27Å; Q495-S497 VanDerWaalsContact O-N 3.11Å; Q495-V498 PolarHBondContact O-N 2.82Å; Q495-V498 VanDerWaalsContact O-N 3.11Å; Q495-A499 VanDerWaalsContact O-CB 3.27Å; Q495-A499 WeakPolarHBondContact O-CB 3.38Å; Q495-A499 PolarHBondContact O-N 2.97Å
496	V	37.3	Very low	41	Very low	38 Å²	38	82.7 Å²	82.7	23%	0.23	48%	0.475	C	S	.	.	H	α-helix	trans	-61.3	-15.8	165.6	173.1	0	0	0	0	111.9	L492 I500 A628	L492-V496 VanDerWaalsContact O-CB 3.26Å; L492-V496 WeakPolarHBondContact O-CB 3.43Å; L492-V496 WeakPolarHBondContact O-CG2 3.48Å; L492-V496 PolarHBondContact O-N 3.17Å; V496-I500 WeakPolarHBondContact O-CD1 3.4Å; V496-I500 VanDerWaalsContact O-CG1 3.26Å; V496-I500 WeakPolarHBondContact O-CG1 3.23Å; V496-A628 HydrophobicContact CG1-CB 4.29Å
497	S	31.4	Very low	39.9	Very low	63 Å²	63	80.9 Å²	80.9	44%	0.441	48%	0.477	S	S	.	.	H	α-helix	trans	-101.5	-15.9	173	-55.2	0	0	0	0	114.9	T493 S494 Q495	T493-S497 PolarHBondContact O-N 3.36Å; T493-S497 PolarHBondContact O-OG 3.27Å; S494-S497 CarbonylContact O-C 3.59Å; S494-S497 VanDerWaalsContact O-C 3.22Å; S494-S497 VanDerWaalsContact O-CA 3.24Å; S494-S497 WeakPolarHBondContact O-CA 3.3Å; S494-S497 WeakPolarHBondContact O-CB 3.44Å; S494-S497 PolarHBondContact O-N 3.41Å; Q495-S497 PolarHBondContact O-N 3.27Å; Q495-S497 VanDerWaalsContact O-N 3.11Å
498	V	34.5	Very low	38.8	Very low	78 Å²	78	81.8 Å²	81.8	47%	0.473	48%	0.483	S	S	.	.	H	α-helix	trans	-103.7	-34.4	-176.8	166.8	0	0	0	0	111.4	S494 Q495 I500 G501 Q502	S494-V498 WeakPolarHBondContact O-CB 3.36Å; S494-V498 VanDerWaalsContact O-CG2 3.25Å; S494-V498 WeakPolarHBondContact O-CG2 3.35Å; S494-V498 PolarHBondContact O-N 3.14Å; Q495-V498 PolarHBondContact O-N 2.82Å; Q495-V498 VanDerWaalsContact O-N 3.11Å; V498-I500 PolarHBondContact O-N 3.49Å; V498-I500 VanDerWaalsContact O-N 3.12Å; V498-G501 WeakPolarHBondContact O-CA 3.37Å; V498-G501 PolarHBondContact O-N 3.05Å; V498-Q502 PolarHBondContact O-N 3.4Å
499	A	30.2	Very low	37.9	Very low	54 Å²	54	84.2 Å²	84.2	45%	0.446	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-9.7	160.4	0	0	0	0	0	112.4	Q495 R635	Q495-A499 VanDerWaalsContact O-CB 3.27Å; Q495-A499 WeakPolarHBondContact O-CB 3.38Å; Q495-A499 PolarHBondContact O-N 2.97Å; A499-R635 VanDerWaalsContact O-CZ 3.26Å; A499-R635 PolarHBondContact O-NH1 3.42Å; A499-R635 PolarHBondContact O-NH2 2.98Å
500	I	30.9	Very low	36.9	Very low	66 Å²	66	90 Å²	90	34%	0.338	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-23.3	167	-77	-179.2	0	0	0	112.3	V496 V498 K631	V496-I500 WeakPolarHBondContact O-CD1 3.4Å; V496-I500 VanDerWaalsContact O-CG1 3.26Å; V496-I500 WeakPolarHBondContact O-CG1 3.23Å; V498-I500 PolarHBondContact O-N 3.49Å; V498-I500 VanDerWaalsContact O-N 3.12Å; I500-K631 HydrophobicContact CD1-CD 3.87Å; I500-K631 HydrophobicContact CD1-CG 4.46Å; I500-K631 VanDerWaalsContact CD1-NZ 3.28Å
501	G	28.4	Very low	35.7	Very low	63 Å²	63	88.5 Å²	88.5	65%	0.649	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-35.8	176.7	0	0	0	0	0	114.6	V498	V498-G501 WeakPolarHBondContact O-CA 3.37Å; V498-G501 PolarHBondContact O-N 3.05Å
502	Q	31.1	Very low	34.5	Very low	125 Å²	125	88.3 Å²	88.3	58%	0.584	54%	0.539	S	S	*	.			trans	-104.5	111.8	-178.6	-73	176.9	-67.7	0	0	111.8	V498	V498-Q502 PolarHBondContact O-N 3.4Å
503	A	33.8	Very low	33.3	Very low	91 Å²	91	92.6 Å²	92.6	75%	0.752	56%	0.561	S	S	*	*	S	Bend	trans	-148.9	35.2	171.7	0	0	0	0	0	111.2
504	S	32.2	Very low	32.3	Very low	107 Å²	107	98 Å²	98	75%	0.748	59%	0.586	S	S	*	*	S	Bend	trans	-142.5	-17.7	-175.6	57.3	0	0	0	0	115.7
505	E	35.3	Very low	31.7	Very low	143 Å²	143	99 Å²	99	67%	0.668	59%	0.594	S	S	*	*			trans	-139.1	81.6	-169.6	-66	-172.4	143	0	0	112.2
506	D	34	Very low	30.8	Very low	132 Å²	132	101.7 Å²	101.7	71%	0.706	60%	0.604	S	S	*	*	S	Bend	trans	-151.7	38.4	165.4	-119	-27.8	0	0	0	113.4
507	V	33.3	Very low	30.2	Very low	124 Å²	124	108.9 Å²	108.9	75%	0.752	63%	0.632	S	S	*	*	S	Bend	trans	-118.5	-22.5	175.4	-177.1	0	0	0	0	112
508	S	30.3	Very low	29.9	Very low	83 Å²	83	113.7 Å²	113.7	58%	0.58	65%	0.651	S	S	*	*	S	Bend	trans	-81.7	-27.7	-179.1	51	0	0	0	0	114.1	N512	S508-N512 PolarHBondContact O-ND2 2.86Å
509	A	32	Very low	29.8	Very low	53 Å²	53	114.9 Å²	114.9	44%	0.438	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.2	-41.9	-178.6	0	0	0	0	0	112.6	V511	A509-V511 VanDerWaalsContact C-N 3.29Å; A509-V511 PolarHBondContact O-N 3.03Å
510	L	30.2	Very low	29.4	Very low	134 Å²	134	119.4 Å²	119.4	70%	0.702	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-19.3	-176.3	-75.8	165.7	0	0	0	114.3
511	V	28.9	Very low	29	Very low	107 Å²	107	126.7 Å²	126.7	65%	0.648	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-27.6	-177.9	-179.3	0	0	0	0	112.5	A509 I513	A509-V511 VanDerWaalsContact C-N 3.29Å; A509-V511 PolarHBondContact O-N 3.03Å; V511-I513 PolarHBondContact O-N 3.49Å
512	N	28.8	Very low	28.7	Very low	120 Å²	120	130 Å²	130	64%	0.642	70%	0.702	S	S	*	*	S	Bend	trans	-81.3	-13.5	-174.2	-85.6	-50.9	0	0	0	115	S508 S515	S508-N512 PolarHBondContact O-ND2 2.86Å; N512-S515 PolarHBondContact O-OG 3.2Å; N512-S515 VanDerWaalsContact O-OG 3.14Å
513	I	28.1	Very low	28.3	Very low	142 Å²	142	133.3 Å²	133.3	73%	0.728	72%	0.715	S	S	*	*	S	Bend	trans	-88.3	-25.2	-174.7	-62.2	178.1	0	0	0	112.5	V511 S515	V511-I513 PolarHBondContact O-N 3.49Å; I513-S515 VanDerWaalsContact C-N 3.29Å; I513-S515 PolarHBondContact O-N 2.75Å
514	L	25.8	Very low	27.8	Very low	168 Å²	168	133 Å²	133	88%	0.88	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	19.2	-177.8	-81.1	168.3	0	0	0	115.1
515	S	27.6	Very low	27.3	Very low	79 Å²	79	135.5 Å²	135.5	55%	0.552	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	6	-170.4	65.2	0	0	0	0	115.8	N512 I513	N512-S515 PolarHBondContact O-OG 3.2Å; N512-S515 VanDerWaalsContact O-OG 3.14Å; I513-S515 VanDerWaalsContact C-N 3.29Å; I513-S515 PolarHBondContact O-N 2.75Å
516	K	23.4	Very low	26.8	Very low	166 Å²	166	135.2 Å²	135.2	72%	0.722	71%	0.712	S	S	*	*			trans	-132.6	101.9	-166.1	-80.4	-174.5	177.2	176.6	0	117
517	F	24.9	Very low	26.4	Very low	189 Å²	189	134.6 Å²	134.6	83%	0.829	71%	0.709	S	S	*	*			trans	83.1	108.6	144.9	-61.2	-65.8	0	0	0	122.9
518	I	23.9	Very low	26.1	Very low	163 Å²	163	136.2 Å²	136.2	84%	0.836	71%	0.712	S	S	*	*			trans	-142.9	152.6	147.5	-68.4	-179	0	0	0	104.5
519	P	32.2	Very low	26.1	Very low	104 Å²	104	141 Å²	141	68%	0.675	73%	0.731	S	S	*	*			cis	-126.1	-178.1	-6.5	30	-8.9	0	0	0	114.7
520	L	22	Very low	26.2	Very low	149 Å²	149	143.5 Å²	143.5	78%	0.78	73%	0.732	S	S	*	*				164.4	108.1	120.3	-86.4	167.1	0	0	0	117
521	R	22.6	Very low	26.1	Very low	218 Å²	218	143.7 Å²	143.7	82%	0.823	73%	0.732	S	S	*	*				43.3	124.6	123.2	-96.6	-174.6	-175.4	-175.7	2.6	124.2
522	L	21.6	Very low	26.4	Very low	132 Å²	132	147.3 Å²	147.3	69%	0.691	74%	0.74	S	S	*	*				132.7	130.3	119.5	-79.2	152	0	0	0	119.1
523	F	24	Very low	26.7	Very low	196 Å²	196	144.8 Å²	144.8	86%	0.86	73%	0.73	S	S	*	*			trans	56.6	148.5	156.6	-71.6	-56.1	0	0	0	119.5
524	A	22.6	Very low	27.1	Very low	84 Å²	84	145.1 Å²	145.1	69%	0.694	73%	0.726	S	S	*	*			cis	-161.1	-167.8	-10.2	0	0	0	0	0	108
525	I	22.8	Very low	27.6	Very low	160 Å²	160	143.5 Å²	143.5	82%	0.821	72%	0.718	S	S	*	*			cis	-146.7	-113.8	9.3	-164.1	163.8	0	0	0	113.7
526	F	24.6	Very low	28.1	Very low	136 Å²	136	145.7 Å²	145.7	60%	0.596	72%	0.715	S	S	*	*			trans	-157	142.5	-172.7	-101.7	-84	0	0	0	113.2	K530	F526-K530 HydrophobicContact CD1-CD 3.95Å; F526-K530 HydrophobicContact CE1-CD 3.84Å
527	N	24.7	Very low	28.8	Very low	120 Å²	120	144.6 Å²	144.6	64%	0.642	71%	0.712	S	S	*	*				158.6	136	108	-89.7	-48.1	0	0	0	114.7
528	L	27.1	Very low	29.5	Very low	157 Å²	157	144.7 Å²	144.7	82%	0.822	71%	0.712	S	S	*	*	S	Bend	trans	-168.5	-37.8	132.9	-112.3	164.1	0	0	0	113.4	K530	L528-K530 PolarHBondContact O-N 2.77Å
529	L	29.6	Very low	30.2	Very low	184 Å²	184	143.5 Å²	143.5	96%	0.963	71%	0.706	S	S	*	*	S	Bend	trans	-76.8	33.8	-179.6	-79.4	166.7	0	0	0	115
530	K	34.5	Very low	30.4	Very low	106 Å²	106	143 Å²	143	46%	0.461	71%	0.705	S	S	.	*			trans	-112.9	16	-169.7	-137.3	174.2	-172.9	174.8	0	115.1	F526 L528	F526-K530 HydrophobicContact CD1-CD 3.95Å; F526-K530 HydrophobicContact CE1-CD 3.84Å; L528-K530 PolarHBondContact O-N 2.77Å
531	L	28.4	Very low	31.5	Very low	137 Å²	137	141.1 Å²	141.1	72%	0.717	71%	0.705	S	S	*	*	S	Bend	trans	-98.5	-31.4	-169.8	-101.3	163.2	0	0	0	115.7
532	F	34.9	Very low	32.5	Very low	184 Å²	184	140 Å²	140	81%	0.807	70%	0.701	S	S	*	*	S	Bend	trans	-84	-15.7	-177.8	-97	-87.9	0	0	0	118.3	K534	F532-K534 VanDerWaalsContact C-N 3.32Å; F532-K534 PolarHBondContact O-N 2.91Å
533	P	36.4	Very low	34	Very low	67 Å²	67	139.1 Å²	139.1	44%	0.435	70%	0.698	S	S	.	*	H	α-helix	trans	-66.4	-29.9	171.8	-23.9	34.9	0	0	0	114.1	L535 Y536 E537	P533-L535 VanDerWaalsContact C-N 3.3Å; P533-L535 PolarHBondContact O-N 3.05Å; P533-Y536 PolarHBondContact O-N 3.01Å; P533-E537 PolarHBondContact O-N 3.29Å
534	K	34.8	Very low	35	Very low	149 Å²	149	135.9 Å²	135.9	65%	0.648	68%	0.683	S	S	*	*	H	α-helix	trans	-70.9	-16.6	-166.3	-75.2	-170.9	171.9	-174.6	0	115.9	F532	F532-K534 VanDerWaalsContact C-N 3.32Å; F532-K534 PolarHBondContact O-N 2.91Å
535	L	36.2	Very low	36	Very low	133 Å²	133	133 Å²	133	70%	0.696	66%	0.662	S	S	*	*	H	α-helix	trans	-83.2	-33.5	170.1	-116.2	152	0	0	0	111	P533	P533-L535 VanDerWaalsContact C-N 3.3Å; P533-L535 PolarHBondContact O-N 3.05Å
536	Y	38.6	Very low	37.1	Very low	126 Å²	126	132.6 Å²	132.6	49%	0.494	65%	0.654	S	S	.	*	H	α-helix	trans	-79.2	-30.1	-178.9	-155.2	-92.6	0	0	0	113	P533 K538	P533-Y536 PolarHBondContact O-N 3.01Å; Y536-K538 PolarHBondContact O-N 2.95Å
537	E	38.6	Very low	38.1	Very low	143 Å²	143	129.8 Å²	129.8	67%	0.668	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-11	173.9	-71.4	-172.8	128.8	0	0	114.2	P533	P533-E537 PolarHBondContact O-N 3.29Å
538	K	39.9	Very low	38.9	Very low	191 Å²	191	124.9 Å²	124.9	83%	0.83	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	1	-174.5	-126.4	-176	-177.6	-172.1	0	115.1	Y536	Y536-K538 PolarHBondContact O-N 2.95Å
539	I	39.4	Very low	39.6	Very low	138 Å²	138	126 Å²	126	71%	0.708	61%	0.614	S	S	*	*	S	Bend	trans	-108.8	138.4	177.4	-59.7	-180	0	0	0	109.5	S541	I539-S541 PolarHBondContact O-N 3.43Å
540	S	35.8	Very low	40.4	Very low	93 Å²	93	121.1 Å²	121.1	65%	0.65	59%	0.592	S	S	*	*			trans	-70.7	120.1	-154.1	53.3	0	0	0	0	116.4	Y542	S540-Y542 VanDerWaalsContact C-N 3.28Å; S540-Y542 PolarHBondContact O-N 3.39Å
541	S	45	Very low	40.8	Very low	110 Å²	110	121.5 Å²	121.5	77%	0.769	60%	0.597	S	S	*	*	S	Bend	trans	53.6	4.4	131.3	71.2	0	0	0	0	121.9	I539	I539-S541 PolarHBondContact O-N 3.43Å
542	Y	43.5	Very low	41.5	Very low	193 Å²	193	115.7 Å²	115.7	76%	0.757	57%	0.568	S	S	*	*	S	Bend	trans	-116	121.4	179.6	-88.8	-82.9	0	0	0	114.5	S540 K544	S540-Y542 VanDerWaalsContact C-N 3.28Å; S540-Y542 PolarHBondContact O-N 3.39Å; Y542-K544 PolarHBondContact O-N 3.25Å
543	N	53.2	Low	42	Very low	115 Å²	115	111.8 Å²	111.8	62%	0.615	56%	0.56	S	S	*	*			trans	13.9	82	163.5	-160.1	-10.2	0	0	0	117.4	G545 K546	N543-G545 VanDerWaalsContact C-N 3.32Å; N543-G545 PolarHBondContact O-N 2.88Å; N543-K546 HydrophobicContact CB-CB 4.35Å; N543-K546 PolarHBondContact O-N 3.21Å
544	K	44.7	Very low	42.5	Very low	128 Å²	128	116.8 Å²	116.8	56%	0.557	58%	0.577	S	S	*	*	H	α-helix	trans	-52	-42.1	-178.1	-67.1	-176.1	176.9	-177.8	0	114.1	Y542 K546 I547 A548	Y542-K544 PolarHBondContact O-N 3.25Å; K544-K546 VanDerWaalsContact C-N 3.28Å; K544-K546 PolarHBondContact O-N 3.35Å; K544-I547 PolarHBondContact O-N 3.14Å; K544-I547 VanDerWaalsContact O-N 3.1Å; K544-A548 PolarHBondContact O-N 3.49Å
545	G	44.1	Very low	42.8	Very low	24 Å²	24	116.9 Å²	116.9	25%	0.247	58%	0.582	C	S	.	*	H	α-helix	trans	-61.1	-35.1	179.2	0	0	0	0	0	112.7	N543 I547 A548 R549	N543-G545 VanDerWaalsContact C-N 3.32Å; N543-G545 PolarHBondContact O-N 2.88Å; G545-I547 VanDerWaalsContact C-N 3.3Å; G545-I547 PolarHBondContact O-N 3.41Å; G545-A548 PolarHBondContact O-N 2.97Å; G545-R549 VanDerWaalsContact O-CB 3.23Å; G545-R549 WeakPolarHBondContact O-CB 3.08Å; G545-R549 PolarHBondContact O-N 2.93Å
546	K	45.1	Very low	43.2	Very low	150 Å²	150	113.2 Å²	113.2	65%	0.652	56%	0.56	S	S	*	*	H	α-helix	trans	-67.5	-31.2	176.7	-157.7	177.6	-175.5	-175.3	0	112.5	N543 K544 T550	N543-K546 HydrophobicContact CB-CB 4.35Å; N543-K546 PolarHBondContact O-N 3.21Å; K544-K546 VanDerWaalsContact C-N 3.28Å; K544-K546 PolarHBondContact O-N 3.35Å; K546-T550 PolarHBondContact O-N 3.41Å; K546-T550 VanDerWaalsContact O-N 3.12Å; K546-T550 PolarHBondContact O-OG1 3.1Å
547	I	45	Very low	43.6	Very low	78 Å²	78	115.9 Å²	115.9	40%	0.4	57%	0.569	S	S	.	*	H	α-helix	trans	-73.7	-48.1	176.1	-58.5	175.7	0	0	0	110.1	K544 G545 R549 T550 M551	K544-I547 PolarHBondContact O-N 3.14Å; K544-I547 VanDerWaalsContact O-N 3.1Å; G545-I547 VanDerWaalsContact C-N 3.3Å; G545-I547 PolarHBondContact O-N 3.41Å; I547-R549 VanDerWaalsContact C-N 3.32Å; I547-R549 PolarHBondContact O-N 2.94Å; I547-T550 PolarHBondContact O-N 3Å; I547-T550 VanDerWaalsContact O-N 3.1Å; I547-M551 HydrophobicContact CG2-SD 4.4Å; I547-M551 PolarHBondContact O-N 2.9Å
548	A	42.4	Very low	43.8	Very low	17 Å²	17	115.1 Å²	115.1	14%	0.14	58%	0.575	C	S	.	*	H	α-helix	trans	-54.7	-48.4	174.8	0	0	0	0	0	111.3	K544 G545 T550 M551 A552 E571	K544-A548 PolarHBondContact O-N 3.49Å; G545-A548 PolarHBondContact O-N 2.97Å; A548-T550 VanDerWaalsContact C-N 3.3Å; A548-T550 PolarHBondContact O-N 3.45Å; A548-M551 PolarHBondContact O-N 3.13Å; A548-A552 WeakPolarHBondContact O-CB 3.4Å; A548-A552 PolarHBondContact O-N 3.15Å; A548-E571 HydrophobicContact CB-CG 4.36Å
549	R	41.1	Very low	43.9	Very low	180 Å²	180	111.8 Å²	111.8	68%	0.679	56%	0.562	S	S	*	*	H	α-helix	trans	-65.8	-25.8	178.1	-156.7	173.3	-164.8	-178.8	6.2	114.2	G545 I547 V553	G545-R549 VanDerWaalsContact O-CB 3.23Å; G545-R549 WeakPolarHBondContact O-CB 3.08Å; G545-R549 PolarHBondContact O-N 2.93Å; I547-R549 VanDerWaalsContact C-N 3.32Å; I547-R549 PolarHBondContact O-N 2.94Å; R549-V553 VanDerWaalsContact O-CG2 3.23Å; R549-V553 WeakPolarHBondContact O-CG2 3.39Å; R549-V553 PolarHBondContact O-N 3.12Å
550	T	47.8	Very low	44.1	Very low	82 Å²	82	106 Å²	106	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-76.4	-43.3	173.3	-55.1	0	0	0	0	110.8	K546 I547 A548 A552 V553 E554	K546-T550 PolarHBondContact O-N 3.41Å; K546-T550 VanDerWaalsContact O-N 3.12Å; K546-T550 PolarHBondContact O-OG1 3.1Å; I547-T550 PolarHBondContact O-N 3Å; I547-T550 VanDerWaalsContact O-N 3.1Å; A548-T550 VanDerWaalsContact C-N 3.3Å; A548-T550 PolarHBondContact O-N 3.45Å; T550-A552 VanDerWaalsContact C-N 3.31Å; T550-A552 PolarHBondContact O-N 3.38Å; T550-V553 PolarHBondContact O-N 3.08Å; T550-V553 VanDerWaalsContact O-N 3.1Å; T550-E554 PolarHBondContact O-N 3.36Å
551	M	41.8	Very low	44.5	Very low	114 Å²	114	104.7 Å²	104.7	56%	0.562	52%	0.523	S	S	*	.	H	α-helix	trans	-62.9	-38.8	174.8	-66.4	179	64.1	0	0	111.8	I547 A548 V553 E554 M555	I547-M551 HydrophobicContact CG2-SD 4.4Å; I547-M551 PolarHBondContact O-N 2.9Å; A548-M551 PolarHBondContact O-N 3.13Å; M551-V553 PolarHBondContact O-N 3.47Å; M551-E554 PolarHBondContact O-N 2.92Å; M551-M555 WeakPolarHBondContact O-CB 3.17Å; M551-M555 WeakPolarHBondContact O-CG 3.4Å; M551-M555 PolarHBondContact O-N 3.15Å
552	A	43.4	Very low	44.4	Very low	14 Å²	14	104.8 Å²	104.8	12%	0.116	51%	0.511	C	S	.	.	H	α-helix	trans	-72.8	-6.2	175.3	0	0	0	0	0	114.4	A548 T550 F556 L567	A548-A552 WeakPolarHBondContact O-CB 3.4Å; A548-A552 PolarHBondContact O-N 3.15Å; T550-A552 VanDerWaalsContact C-N 3.31Å; T550-A552 PolarHBondContact O-N 3.38Å; A552-F556 WeakPolarHBondContact O-CD2 3.43Å; A552-L567 HydrophobicContact CB-CD2 4.29Å
553	V	45.7	Very low	44.7	Very low	103 Å²	103	96.3 Å²	96.3	62%	0.624	48%	0.479	S	S	*	.	H	α-helix	trans	-101	-35.1	172.1	165.3	0	0	0	0	111.5	R549 T550 M551	R549-V553 VanDerWaalsContact O-CG2 3.23Å; R549-V553 WeakPolarHBondContact O-CG2 3.39Å; R549-V553 PolarHBondContact O-N 3.12Å; T550-V553 PolarHBondContact O-N 3.08Å; T550-V553 VanDerWaalsContact O-N 3.1Å; M551-V553 PolarHBondContact O-N 3.47Å
554	E	46.3	Very low	44.4	Very low	171 Å²	171	94.9 Å²	94.9	80%	0.799	47%	0.471	S	S	*	.	H	α-helix	trans	-69.6	-28.2	174.3	-79	-86.8	135.9	0	0	113.5	T550 M551	T550-E554 PolarHBondContact O-N 3.36Å; M551-E554 PolarHBondContact O-N 2.92Å
555	M	41	Very low	44.6	Very low	151 Å²	151	90.1 Å²	90.1	74%	0.744	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-4.5	-175.4	-72.6	-172.4	67.6	0	0	115.5	M551	M551-M555 WeakPolarHBondContact O-CB 3.17Å; M551-M555 WeakPolarHBondContact O-CG 3.4Å; M551-M555 PolarHBondContact O-N 3.15Å
556	F	44.2	Very low	44.9	Very low	56 Å²	56	89.1 Å²	89.1	25%	0.246	44%	0.441	C	S	.	.	S	Bend	trans	-127.8	151.3	-169.6	-72.6	-93.9	0	0	0	111.9	A552 D560 V566 L567	A552-F556 WeakPolarHBondContact O-CD2 3.43Å; F556-D560 HydrophobicContact CB-CB 3.99Å; F556-D560 HydrophobicContact CD1-CB 3.88Å; F556-D560 HydrophobicContact CG-CB 4.41Å; F556-V566 HydrophobicContact CE1-CG1 4.01Å; F556-V566 HydrophobicContact CZ-CG1 4.16Å; F556-L567 HydrophobicContact CD1-CD2 4.15Å; F556-L567 HydrophobicContact CD2-CD2 3.63Å; F556-L567 HydrophobicContact CE1-CD2 4.11Å; F556-L567 HydrophobicContact CE2-CD2 3.58Å; F556-L567 HydrophobicContact CG-CD2 3.91Å; F556-L567 HydrophobicContact CZ-CD2 3.83Å
557	R	48.2	Very low	45.2	Very low	183 Å²	183	83.7 Å²	83.7	69%	0.691	42%	0.419	S	S	*	.			trans	-83.7	165.2	-179.9	-63.6	-177.3	178.1	-179.3	2.5	111.3	E559 D560	R557-E559 PolarHBondContact O-N 3.46Å; R557-E559 VanDerWaalsContact O-N 3.11Å; R557-D560 WeakPolarHBondContact CB-OD2 3.23Å; R557-D560 PolarHBondContact N-OD2 2.91Å; R557-D560 WeakPolarHBondContact O-CB 3.42Å; R557-D560 PolarHBondContact O-N 3.28Å
558	T	42.4	Very low	45.4	Very low	127 Å²	127	84 Å²	84	78%	0.779	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-57.2	-25.6	172.2	44.2	0	0	0	0	113.3	S561	T558-S561 WeakPolarHBondContact O-CB 3.24Å; T558-S561 PolarHBondContact O-OG 2.65Å
559	E	42.8	Very low	45.7	Very low	121 Å²	121	85.9 Å²	85.9	57%	0.565	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-75.9	-20.5	176.7	-67.3	158.4	-178.4	0	0	113.8	R120 R557	R120-E559 PolarHBondContact NH2-O 2.95Å; R557-E559 PolarHBondContact O-N 3.46Å; R557-E559 VanDerWaalsContact O-N 3.11Å
560	D	42.9	Very low	46.1	Very low	17 Å²	17	79.6 Å²	79.6	9%	0.091	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-84.7	-9.5	179.5	-66.5	-56.6	0	0	0	113.1	F556 R557 H562 N563	F556-D560 HydrophobicContact CB-CB 3.99Å; F556-D560 HydrophobicContact CD1-CB 3.88Å; F556-D560 HydrophobicContact CG-CB 4.41Å; R557-D560 WeakPolarHBondContact CB-OD2 3.23Å; R557-D560 PolarHBondContact N-OD2 2.91Å; R557-D560 WeakPolarHBondContact O-CB 3.42Å; R557-D560 PolarHBondContact O-N 3.28Å; D560-H562 PolarHBondContact O-N 3.39Å; D560-N563 WeakPolarHBondContact O-CB 3.47Å; D560-N563 PolarHBondContact O-N 2.7Å
561	S	43.1	Very low	46	Very low	65 Å²	65	78 Å²	78	46%	0.455	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-4.5	-178.5	57.9	0	0	0	0	116	T558	T558-S561 WeakPolarHBondContact O-CB 3.24Å; T558-S561 PolarHBondContact O-OG 2.65Å
562	H	44.2	Very low	46.2	Very low	111 Å²	111	77.5 Å²	77.5	51%	0.514	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-7.4	177	-63.9	56	0	0	0	112.1	K265 D560 D564	K265-H562 WeakPolarHBondContact CE-O 3.46Å; K265-H562 PolarHBondContact NZ-O 2.69Å; D560-H562 PolarHBondContact O-N 3.39Å; H562-D564 PolarHBondContact O-N 3.26Å
563	N	48.9	Very low	46.2	Very low	16 Å²	16	81.1 Å²	81.1	9%	0.086	42%	0.416	C	S	.	.			trans	-96.4	40.8	179	-70.5	-32.9	0	0	0	111.9	D560 D565 V566 L567	D560-N563 WeakPolarHBondContact O-CB 3.47Å; D560-N563 PolarHBondContact O-N 2.7Å; N563-D565 PolarHBondContact O-N 3.26Å; N563-V566 HydrophobicContact CB-CB 4.17Å; N563-V566 HydrophobicContact CB-CG2 3.99Å; N563-V566 WeakPolarHBondContact O-CA 3Å; N563-V566 VanDerWaalsContact O-CB 3.26Å; N563-V566 WeakPolarHBondContact O-CB 3.32Å; N563-V566 PolarHBondContact O-N 2.88Å; N563-L567 PolarHBondContact O-N 2.98Å
564	D	47.5	Very low	46	Very low	84 Å²	84	82.1 Å²	82.1	45%	0.449	42%	0.418	S	S	.	.	H	α-helix	trans	-48.7	-29.2	177.3	-56.2	-65.4	0	0	0	115.2	K265 H562 V566 L567 D568	K265-D564 IonicContact NZ-OD2 3.7Å; H562-D564 PolarHBondContact O-N 3.26Å; D564-V566 VanDerWaalsContact C-N 3.3Å; D564-V566 PolarHBondContact O-N 3.08Å; D564-L567 PolarHBondContact O-N 3.29Å; D564-D568 VanDerWaalsContact O-CB 3.3Å; D564-D568 WeakPolarHBondContact O-CB 3.48Å; D564-D568 PolarHBondContact O-N 3.48Å
565	D	48.2	Very low	45.8	Very low	29 Å²	29	79.4 Å²	79.4	16%	0.155	41%	0.408	C	S	.	.	H	α-helix	trans	-72	-23.9	176.9	63	-59.2	0	0	0	112.9	K265 Y266 N563 Q569	K265-D565 HydrophobicContact CD-CB 4.19Å; K265-D565 VanDerWaalsContact CD-OD1 3.28Å; K265-D565 WeakPolarHBondContact CD-OD1 3.37Å; K265-D565 WeakPolarHBondContact CE-OD1 3.31Å; K265-D565 IonicContact NZ-OD1 3.95Å; K265-D565 PolarHBondContact NZ-OD1 2.72Å; Y266-D565 PolarHBondContact OH-OD2 3.16Å; N563-D565 PolarHBondContact O-N 3.26Å; D565-Q569 WeakPolarHBondContact O-CB 3.5Å; D565-Q569 WeakPolarHBondContact O-CG 3.37Å; D565-Q569 PolarHBondContact O-N 3.39Å; D565-Q569 PolarHBondContact O-NE2 3.33Å; D565-Q569 VanDerWaalsContact O-NE2 3.08Å
566	V	50.7	Low	45.8	Very low	2 Å²	2	75.2 Å²	75.2	1%	0.012	40%	0.403	C	S	.	.	H	α-helix	trans	-73.7	-43.7	169.4	174.2	0	0	0	0	109	I217 L222 F556 N563 D564 Q569 V570	I217-V566 HydrophobicContact CD1-CB 4.17Å; I217-V566 HydrophobicContact CD1-CG1 3.53Å; I217-V566 VanDerWaalsContact CD1-O 3.27Å; I217-V566 WeakPolarHBondContact CD1-O 3.45Å; I217-V566 HydrophobicContact CG1-CG1 4.01Å; L222-V566 HydrophobicContact CD1-CG1 4.34Å; F556-V566 HydrophobicContact CE1-CG1 4.01Å; F556-V566 HydrophobicContact CZ-CG1 4.16Å; N563-V566 HydrophobicContact CB-CB 4.17Å; N563-V566 HydrophobicContact CB-CG2 3.99Å; N563-V566 WeakPolarHBondContact O-CA 3Å; N563-V566 VanDerWaalsContact O-CB 3.26Å; N563-V566 WeakPolarHBondContact O-CB 3.32Å; N563-V566 PolarHBondContact O-N 2.88Å; D564-V566 VanDerWaalsContact C-N 3.3Å; D564-V566 PolarHBondContact O-N 3.08Å; V566-Q569 PolarHBondContact O-N 3.21Å; V566-V570 WeakPolarHBondContact O-CG2 3.14Å; V566-V570 PolarHBondContact O-N 2.8Å
567	L	50.8	Low	45.4	Very low	36 Å²	36	77.3 Å²	77.3	19%	0.188	42%	0.421	C	S	.	.	H	α-helix	trans	-64.7	-48.1	176.8	-54.9	177.7	0	0	0	111.2	A552 F556 N563 D564 Q569 V570 E571	A552-L567 HydrophobicContact CB-CD2 4.29Å; F556-L567 HydrophobicContact CD1-CD2 4.15Å; F556-L567 HydrophobicContact CD2-CD2 3.63Å; F556-L567 HydrophobicContact CE1-CD2 4.11Å; F556-L567 HydrophobicContact CE2-CD2 3.58Å; F556-L567 HydrophobicContact CG-CD2 3.91Å; F556-L567 HydrophobicContact CZ-CD2 3.83Å; N563-L567 PolarHBondContact O-N 2.98Å; D564-L567 PolarHBondContact O-N 3.29Å; L567-Q569 VanDerWaalsContact C-N 3.34Å; L567-Q569 PolarHBondContact O-N 2.98Å; L567-V570 PolarHBondContact O-N 3.4Å; L567-E571 PolarHBondContact O-N 2.78Å
568	D	50.2	Low	44.8	Very low	84 Å²	84	76.6 Å²	76.6	45%	0.449	43%	0.425	S	S	.	.	H	α-helix	trans	-61.3	-38	175.2	-80.8	-17.7	0	0	0	111.9	D564 E571 Q572	D564-D568 VanDerWaalsContact O-CB 3.3Å; D564-D568 WeakPolarHBondContact O-CB 3.48Å; D564-D568 PolarHBondContact O-N 3.48Å; D568-E571 PolarHBondContact O-N 2.66Å; D568-Q572 WeakPolarHBondContact O-CB 3.31Å; D568-Q572 WeakPolarHBondContact O-CG 3.25Å; D568-Q572 PolarHBondContact O-N 3.27Å
569	Q	48.4	Very low	44.5	Very low	58 Å²	58	74 Å²	74	27%	0.271	42%	0.423	S	S	.	.	H	α-helix	trans	-72	-33.4	175.5	-81.3	176.3	71.9	0	0	112.8	I217 D565 V566 L567 S573	I217-Q569 HydrophobicContact CD1-CB 4.03Å; D565-Q569 WeakPolarHBondContact O-CB 3.5Å; D565-Q569 WeakPolarHBondContact O-CG 3.37Å; D565-Q569 PolarHBondContact O-N 3.39Å; D565-Q569 PolarHBondContact O-NE2 3.33Å; D565-Q569 VanDerWaalsContact O-NE2 3.08Å; V566-Q569 PolarHBondContact O-N 3.21Å; L567-Q569 VanDerWaalsContact C-N 3.34Å; L567-Q569 PolarHBondContact O-N 2.98Å; Q569-S573 WeakPolarHBondContact O-CB 3.13Å; Q569-S573 PolarHBondContact O-N 3.34Å
570	V	49.6	Very low	44	Very low	48 Å²	48	74.6 Å²	74.6	29%	0.291	44%	0.438	S	S	.	.	H	α-helix	trans	-64.1	-47.7	169.4	171	0	0	0	0	109.9	I217 V566 L567 S573 L574	I217-V570 HydrophobicContact CD1-CG2 3.61Å; V566-V570 WeakPolarHBondContact O-CG2 3.14Å; V566-V570 PolarHBondContact O-N 2.8Å; L567-V570 PolarHBondContact O-N 3.4Å; V570-S573 PolarHBondContact O-N 3.12Å; V570-L574 HydrophobicContact CG1-CD1 3.85Å; V570-L574 HydrophobicContact CG1-CG 4.49Å; V570-L574 WeakPolarHBondContact O-CB 3.48Å; V570-L574 VanDerWaalsContact O-CG 3.24Å; V570-L574 WeakPolarHBondContact O-CG 3.4Å; V570-L574 PolarHBondContact O-N 2.88Å
571	E	45.5	Very low	43.5	Very low	47 Å²	47	80.1 Å²	80.1	22%	0.22	46%	0.463	C	S	.	.	H	α-helix	trans	-63.4	-44.6	178.7	-172.1	161.6	-179.1	0	0	111.8	A548 L567 D568 S573 L574 L575	A548-E571 HydrophobicContact CB-CG 4.36Å; L567-E571 PolarHBondContact O-N 2.78Å; D568-E571 PolarHBondContact O-N 2.66Å; E571-S573 PolarHBondContact O-N 3.45Å; E571-L574 PolarHBondContact O-N 3.48Å; E571-L575 HydrophobicContact CG-CD1 3.92Å; E571-L575 WeakPolarHBondContact O-CB 3.34Å; E571-L575 WeakPolarHBondContact O-CD1 3.28Å; E571-L575 WeakPolarHBondContact O-CG 3.27Å; E571-L575 PolarHBondContact O-N 3.06Å
572	Q	45.4	Very low	42.9	Very low	104 Å²	104	82.8 Å²	82.8	49%	0.486	48%	0.478	S	S	.	.	H	α-helix	trans	-69.8	-30.3	177	-70.6	173.9	37.2	0	0	113.4	D568 L575 G576	D568-Q572 WeakPolarHBondContact O-CB 3.31Å; D568-Q572 WeakPolarHBondContact O-CG 3.25Å; D568-Q572 PolarHBondContact O-N 3.27Å; Q572-L575 CarbonylContact O-C 3.56Å; Q572-L575 PolarHBondContact O-N 3.49Å; Q572-G576 PolarHBondContact O-N 3.5Å
573	S	44.2	Very low	42.4	Very low	90 Å²	90	86.6 Å²	86.6	63%	0.629	50%	0.496	S	S	*	.	H	α-helix	trans	-70.3	-40.4	172.1	-172.8	0	0	0	0	111.4	Q569 V570 E571 L575 G576	Q569-S573 WeakPolarHBondContact O-CB 3.13Å; Q569-S573 PolarHBondContact O-N 3.34Å; V570-S573 PolarHBondContact O-N 3.12Å; E571-S573 PolarHBondContact O-N 3.45Å; S573-L575 PolarHBondContact O-N 3.34Å; S573-G576 PolarHBondContact O-N 2.83Å
574	L	42.2	Very low	41.4	Very low	125 Å²	125	89.6 Å²	89.6	65%	0.654	51%	0.51	S	S	*	.	H	α-helix	trans	-64.8	-21.3	170.6	-70.7	167.2	0	0	0	113.1	V570 E571	V570-L574 HydrophobicContact CG1-CD1 3.85Å; V570-L574 HydrophobicContact CG1-CG 4.49Å; V570-L574 WeakPolarHBondContact O-CB 3.48Å; V570-L574 VanDerWaalsContact O-CG 3.24Å; V570-L574 WeakPolarHBondContact O-CG 3.4Å; V570-L574 PolarHBondContact O-N 2.88Å; E571-L574 PolarHBondContact O-N 3.48Å
575	L	41.9	Very low	40.5	Very low	113 Å²	113	95.2 Å²	95.2	59%	0.592	53%	0.531	S	S	*	.	H	α-helix	trans	-100.5	-16.4	178.3	-67	169.1	0	0	0	114.4	E571 Q572 S573	E571-L575 HydrophobicContact CG-CD1 3.92Å; E571-L575 WeakPolarHBondContact O-CB 3.34Å; E571-L575 WeakPolarHBondContact O-CD1 3.28Å; E571-L575 WeakPolarHBondContact O-CG 3.27Å; E571-L575 PolarHBondContact O-N 3.06Å; Q572-L575 CarbonylContact O-C 3.56Å; Q572-L575 PolarHBondContact O-N 3.49Å; S573-L575 PolarHBondContact O-N 3.34Å
576	G	39.8	Very low	39.4	Very low	63 Å²	63	101 Å²	101	65%	0.649	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.4	35.8	165.7	0	0	0	0	0	117.5	Q572 S573	Q572-G576 PolarHBondContact O-N 3.5Å; S573-G576 PolarHBondContact O-N 2.83Å
577	V	35.9	Very low	38.6	Very low	101 Å²	101	108.3 Å²	108.3	61%	0.612	60%	0.601	S	S	*	*			trans	-119	141.8	-177	-174.6	0	0	0	0	112.3
578	H	37	Very low	37.7	Very low	168 Å²	168	111.7 Å²	111.7	78%	0.778	63%	0.627	S	S	*	*			trans	-135	149.7	176.4	-68.1	-5.2	0	0	0	111.3
579	G	36.3	Very low	37.3	Very low	71 Å²	71	115.4 Å²	115.4	73%	0.732	64%	0.64	S	S	*	*			trans	-90.3	176.2	-171	0	0	0	0	0	117.6
580	P	30.4	Very low	37.1	Very low	135 Å²	135	114.7 Å²	114.7	88%	0.877	64%	0.641	S	S	*	*			trans	-87.4	173.8	-172.5	36.3	-37.2	0	0	0	115.2
581	Q	33	Very low	37.2	Very low	133 Å²	133	113.9 Å²	113.9	62%	0.621	63%	0.633	S	S	*	*			trans	-121.9	160.7	-179.5	-61.5	-165.5	5.3	0	0	113.8	H451	H451-Q581 PolarHBondContact CE1-OE1 3.09Å; H451-Q581 PolarHBondContact NE2-OE1 3.13Å
582	P	31.6	Very low	37.6	Very low	120 Å²	120	116.6 Å²	116.6	78%	0.779	65%	0.646	S	S	*	*			trans	-85.7	178.7	-175.7	-8.8	29	0	0	0	115.5
583	Q	32.4	Very low	38.2	Very low	191 Å²	191	114.2 Å²	114.2	89%	0.893	64%	0.637	S	S	*	*			trans	-109.1	168.7	-177.1	-66.1	177.7	-34.2	0	0	113.1
584	Q	29.2	Very low	39	Very low	79 Å²	79	111 Å²	111	37%	0.369	61%	0.61	S	S	.	*			trans	-117.9	162.4	-175.2	-59.6	-158.7	-13	0	0	114.4	S448 G449 N450	S448-Q584 VanDerWaalsContact C-NE2 3.34Å; S448-Q584 PolarHBondContact O-NE2 2.83Å; S448-Q584 PolarHBondContact OG-NE2 3.43Å; G449-Q584 PolarHBondContact O-NE2 2.94Å; N450-Q584 VanDerWaalsContact CG-OE1 3.24Å; N450-Q584 PolarHBondContact ND2-OE1 3.46Å
585	F	27.2	Very low	39.7	Very low	202 Å²	202	107.6 Å²	107.6	89%	0.886	60%	0.596	S	S	*	*			trans	-110.2	172.1	169.1	-76.4	-91.2	0	0	0	110.5
586	D	26	Very low	40.7	Very low	151 Å²	151	102.6 Å²	102.6	81%	0.807	57%	0.57	S	S	*	*			trans	-122.8	117.1	-166.5	-165.7	13.2	0	0	0	112.7	S588	D586-S588 PolarHBondContact O-N 3.15Å
587	D	33.1	Very low	42.2	Very low	156 Å²	156	99.6 Å²	99.6	83%	0.834	54%	0.539	S	S	*	.			trans	-95.6	71.3	-170.8	-81	-35.8	0	0	0	112.5	K589	D587-K589 PolarHBondContact O-N 3.5Å
588	S	31.8	Very low	43.9	Very low	106 Å²	106	95.3 Å²	95.3	74%	0.741	51%	0.512	S	S	*	.			trans	-82.5	1.7	-168.3	78.2	0	0	0	0	117	D586	D586-S588 PolarHBondContact O-N 3.15Å
589	K	41.4	Very low	45.3	Very low	163 Å²	163	87.3 Å²	87.3	71%	0.709	48%	0.475	S	S	*	.			trans	-123.5	107.5	179.2	-95.7	-175.8	163.3	-103.8	0	111	D587 E592	D587-K589 PolarHBondContact O-N 3.5Å; K589-E592 IonicContact NZ-OE1 2.75Å; K589-E592 PolarHBondContact NZ-OE1 2.86Å
590	S	45.4	Very low	47.1	Very low	42 Å²	42	83.9 Å²	83.9	29%	0.294	44%	0.44	S	S	.	.			trans	-144.5	137	177.6	61.3	0	0	0	0	111.5
591	F	51.4	Low	49.6	Very low	31 Å²	31	77.5 Å²	77.5	14%	0.136	40%	0.399	C	S	.	.			trans	76.5	62.8	171	-42.2	-60.9	0	0	0	117.6	V401 R405 T406 Q472 E473	V401-F591 HydrophobicContact CB-CD2 4.46Å; V401-F591 HydrophobicContact CB-CG 4.39Å; V401-F591 HydrophobicContact CG1-CB 3.95Å; V401-F591 HydrophobicContact CG1-CD2 4.43Å; V401-F591 HydrophobicContact CG1-CG 4.19Å; V401-F591 HydrophobicContact CG2-CB 4.41Å; V401-F591 HydrophobicContact CG2-CD1 3.96Å; V401-F591 HydrophobicContact CG2-CD2 4.42Å; V401-F591 HydrophobicContact CG2-CE1 4.32Å; V401-F591 HydrophobicContact CG2-CG 4Å; R405-F591 WeakPolarHBondContact O-CZ 3.16Å; T406-F591 HydrophobicContact CG2-CE1 4.18Å; T406-F591 HydrophobicContact CG2-CE2 4.34Å; T406-F591 HydrophobicContact CG2-CZ 3.59Å; Q472-F591 HydrophobicContact CG-CE1 4.29Å; E473-F591 HydrophobicContact CG-CB 4.3Å; E473-F591 HydrophobicContact CG-CD1 3.65Å; E473-F591 HydrophobicContact CG-CG 4.42Å; E473-F591 WeakPolarHBondContact OE2-CA 3.42Å
592	E	54.3	Low	51.8	Low	104 Å²	104	71.5 Å²	71.5	49%	0.486	37%	0.371	S	S	.	.	S	Bend	trans	-91.6	-18.5	177.1	-65.9	173.4	163.5	0	0	113.3	E473 K589	E473-E592 PolarHBondContact OE2-N 2.84Å; K589-E592 IonicContact NZ-OE1 2.75Å; K589-E592 PolarHBondContact NZ-OE1 2.86Å
593	L	56.8	Low	54.3	Low	55 Å²	55	66.9 Å²	66.9	29%	0.288	34%	0.339	S	S	.	.	S	Bend	trans	-90.1	-20.2	-177.9	-59.1	174.8	0	0	0	114.3	L351 A470 E473 I596 F597	L351-L593 HydrophobicContact CD2-CD2 4.22Å; A470-L593 HydrophobicContact CB-CD1 3.74Å; E473-L593 HydrophobicContact CB-CB 4.32Å; E473-L593 WeakPolarHBondContact OE2-CA 3.35Å; E473-L593 PolarHBondContact OE2-N 3.32Å; L593-I596 HydrophobicContact CD2-CD1 4.36Å; L593-I596 WeakPolarHBondContact O-CA 3.25Å; L593-I596 VanDerWaalsContact O-CB 3.29Å; L593-I596 WeakPolarHBondContact O-CB 3.5Å; L593-I596 PolarHBondContact O-N 2.86Å; L593-F597 HydrophobicContact CB-CD2 3.93Å; L593-F597 HydrophobicContact CB-CE2 3.61Å; L593-F597 HydrophobicContact CB-CZ 4.42Å; L593-F597 HydrophobicContact CD1-CE2 4.17Å; L593-F597 HydrophobicContact CD1-CZ 4.44Å; L593-F597 VanDerWaalsContact O-CD2 3.28Å; L593-F597 WeakPolarHBondContact O-CD2 3.47Å; L593-F597 PolarHBondContact O-N 3.44Å
594	Y	61.3	Low	56.6	Low	21 Å²	21	65.8 Å²	65.8	8%	0.082	33%	0.328	C	S	.	.	H	α-helix	trans	-49.4	-49.6	178.3	171.2	-101.8	0	0	0	114.2	Y398 V401 M402 E473 A476 A477 I596 F597 M598	Y398-Y594 HydrophobicContact CD2-CE2 4.5Å; V401-Y594 HydrophobicContact CG1-CD1 4.07Å; V401-Y594 HydrophobicContact CG1-CD2 4.05Å; V401-Y594 HydrophobicContact CG1-CG 3.77Å; M402-Y594 HydrophobicContact CE-CD1 4.49Å; M402-Y594 HydrophobicContact CE-CE1 3.82Å; E473-Y594 PolarHBondContact OE2-N 2.91Å; A476-Y594 HydrophobicContact CB-CD2 3.75Å; A476-Y594 HydrophobicContact CB-CE2 3.75Å; A477-Y594 HydrophobicContact CB-CD2 4.17Å; A477-Y594 HydrophobicContact CB-CE2 4.24Å; Y594-I596 VanDerWaalsContact C-N 3.33Å; Y594-I596 PolarHBondContact O-N 2.97Å; Y594-F597 PolarHBondContact O-N 3.43Å; Y594-M598 HydrophobicContact CD2-CG 4.44Å; Y594-M598 HydrophobicContact CE1-CG 4.18Å; Y594-M598 HydrophobicContact CE2-CG 4.12Å; Y594-M598 HydrophobicContact CE2-SD 4.24Å; Y594-M598 WeakPolarHBondContact O-CG 3.48Å; Y594-M598 PolarHBondContact O-N 3.39Å
595	P	57.8	Low	58.7	Low	55 Å²	55	63.6 Å²	63.6	36%	0.357	32%	0.322	S	S	.	.	H	α-helix	trans	-66.1	-35.1	176.4	26.7	-34.6	0	0	0	112.6	M598 G599 L652	P595-M598 WeakPolarHBondContact O-CB 3.32Å; P595-M598 PolarHBondContact O-N 3.46Å; P595-G599 PolarHBondContact O-N 3.37Å; P595-L652 WeakPolarHBondContact O-CD1 3.42Å
596	I	62.2	Low	61.3	Low	8 Å²	8	54.1 Å²	54.1	4%	0.041	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-50.6	175.8	-85.2	162.1	0	0	0	110.8	L351 L593 Y594 M598 G599 G600 V651 L652 E655	L351-I596 HydrophobicContact CD2-CG2 4.26Å; L593-I596 HydrophobicContact CD2-CD1 4.36Å; L593-I596 WeakPolarHBondContact O-CA 3.25Å; L593-I596 VanDerWaalsContact O-CB 3.29Å; L593-I596 WeakPolarHBondContact O-CB 3.5Å; L593-I596 PolarHBondContact O-N 2.86Å; Y594-I596 VanDerWaalsContact C-N 3.33Å; Y594-I596 PolarHBondContact O-N 2.97Å; I596-M598 VanDerWaalsContact C-N 3.35Å; I596-M598 PolarHBondContact O-N 3.2Å; I596-G599 PolarHBondContact O-N 3.4Å; I596-G599 VanDerWaalsContact O-N 3.13Å; I596-G600 PolarHBondContact O-N 2.99Å; I596-V651 HydrophobicContact CD1-CB 4.22Å; I596-V651 HydrophobicContact CD1-CG1 3.74Å; I596-V651 HydrophobicContact CG1-CG1 4.06Å; I596-L652 HydrophobicContact CG1-CB 4.36Å; I596-E655 HydrophobicContact CG2-CG 4.05Å
597	F	71.8	Confident	64.2	Low	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-39	175.1	-66.8	-54.3	0	0	0	112.1	L351 T352 Y355 A470 E473 Y474 A477 L593 Y594 G599 G600 L601	L351-F597 HydrophobicContact CD2-CE1 4.2Å; L351-F597 HydrophobicContact CD2-CZ 4.31Å; L351-F597 HydrophobicContact CG-CE1 4Å; L351-F597 HydrophobicContact CG-CZ 4.42Å; T352-F597 HydrophobicContact CG2-CD1 4.14Å; Y355-F597 HydrophobicContact CD2-CE1 4.03Å; Y355-F597 HydrophobicContact CD2-CZ 4.25Å; Y355-F597 HydrophobicContact CE1-CZ 4.49Å; Y355-F597 HydrophobicContact CE2-CE1 4.42Å; Y355-F597 HydrophobicContact CE2-CZ 4.22Å; Y355-F597 HydrophobicContact CG-CE1 4.16Å; Y355-F597 HydrophobicContact CG-CZ 4.4Å; A470-F597 HydrophobicContact CB-CE2 4.37Å; A470-F597 HydrophobicContact CB-CZ 4.4Å; A470-F597 WeakPolarHBondContact O-CE2 3.29Å; E473-F597 HydrophobicContact CB-CD2 3.88Å; E473-F597 HydrophobicContact CB-CE2 3.98Å; Y474-F597 AromaticContact CD2-CD1 3.65Å; Y474-F597 HydrophobicContact CD2-CD1 3.65Å; Y474-F597 AromaticContact CD2-CE1 3.91Å; Y474-F597 HydrophobicContact CD2-CE1 3.91Å; Y474-F597 HydrophobicContact CD2-CG 4.09Å; Y474-F597 HydrophobicContact CG-CD1 4.47Å; A477-F597 HydrophobicContact CB-CB 3.75Å; L593-F597 HydrophobicContact CB-CD2 3.93Å; L593-F597 HydrophobicContact CB-CE2 3.61Å; L593-F597 HydrophobicContact CB-CZ 4.42Å; L593-F597 HydrophobicContact CD1-CE2 4.17Å; L593-F597 HydrophobicContact CD1-CZ 4.44Å; L593-F597 VanDerWaalsContact O-CD2 3.28Å; L593-F597 WeakPolarHBondContact O-CD2 3.47Å; L593-F597 PolarHBondContact O-N 3.44Å; Y594-F597 PolarHBondContact O-N 3.43Å; F597-G599 PolarHBondContact O-N 3.31Å; F597-G600 PolarHBondContact O-N 2.9Å; F597-L601 WeakPolarHBondContact O-CB 3.46Å; F597-L601 WeakPolarHBondContact O-CD1 3.18Å; F597-L601 WeakPolarHBondContact O-CG 3.27Å; F597-L601 PolarHBondContact O-N 2.89Å
598	M	70.9	Confident	66.3	Low	10 Å²	10	43.5 Å²	43.5	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-57.2	-36.5	173.6	-72.1	-97.2	53.4	0	0	112.5	A477 I480 V481 Y594 P595 I596 L602	A477-M598 HydrophobicContact CB-CB 4.49Å; A477-M598 HydrophobicContact CB-CE 4.12Å; A477-M598 HydrophobicContact CB-CG 3.7Å; A477-M598 HydrophobicContact CB-SD 4.26Å; A477-M598 WeakPolarHBondContact O-CE 3.11Å; I480-M598 HydrophobicContact CB-CE 4.2Å; I480-M598 HydrophobicContact CB-SD 4.04Å; I480-M598 HydrophobicContact CG2-CE 4.09Å; I480-M598 HydrophobicContact CG2-SD 3.79Å; V481-M598 HydrophobicContact CB-CE 3.63Å; V481-M598 HydrophobicContact CG2-CE 3.62Å; Y594-M598 HydrophobicContact CD2-CG 4.44Å; Y594-M598 HydrophobicContact CE1-CG 4.18Å; Y594-M598 HydrophobicContact CE2-CG 4.12Å; Y594-M598 HydrophobicContact CE2-SD 4.24Å; Y594-M598 WeakPolarHBondContact O-CG 3.48Å; Y594-M598 PolarHBondContact O-N 3.39Å; P595-M598 WeakPolarHBondContact O-CB 3.32Å; P595-M598 PolarHBondContact O-N 3.46Å; I596-M598 VanDerWaalsContact C-N 3.35Å; I596-M598 PolarHBondContact O-N 3.2Å; M598-L602 VanDerWaalsContact O-CD1 3.3Å; M598-L602 WeakPolarHBondContact O-CD1 3.33Å; M598-L602 WeakPolarHBondContact O-CG 3.25Å
599	G	67.4	Low	68.3	Low	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.4	-56.2	172.9	0	0	0	0	0	112.5	P595 I596 F597 L601 L602 F656	P595-G599 PolarHBondContact O-N 3.37Å; I596-G599 PolarHBondContact O-N 3.4Å; I596-G599 VanDerWaalsContact O-N 3.13Å; F597-G599 PolarHBondContact O-N 3.31Å; G599-L601 VanDerWaalsContact C-N 3.31Å; G599-L601 PolarHBondContact O-N 2.95Å; G599-L602 WeakPolarHBondContact O-CB 3.24Å; G599-L602 PolarHBondContact O-N 2.84Å; G599-L602 VanDerWaalsContact O-N 3.17Å; G599-F656 WeakPolarHBondContact O-CD2 3.45Å
600	G	72.8	Confident	70.3	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.3	-26.4	-174.1	0	0	0	0	0	115	T352 I596 F597 L602 Q603 N606 E655	T352-G600 VanDerWaalsContact CG2-C 3.48Å; I596-G600 PolarHBondContact O-N 2.99Å; F597-G600 PolarHBondContact O-N 2.9Å; G600-L602 PolarHBondContact O-N 3.12Å; G600-Q603 WeakPolarHBondContact O-CB 3.46Å; G600-Q603 PolarHBondContact O-N 2.95Å; G600-N606 PolarHBondContact O-ND2 2.83Å; G600-E655 WeakPolarHBondContact CA-O 3.28Å
601	L	83.4	Confident	72	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.9	177.4	-67.7	169.4	0	0	0	113.2	T352 Y474 A477 L478 V481 F597 G599 R607 L610	T352-L601 HydrophobicContact CG2-CB 4.46Å; T352-L601 HydrophobicContact CG2-CD2 3.71Å; T352-L601 HydrophobicContact CG2-CG 3.66Å; Y474-L601 HydrophobicContact CE2-CD2 3.75Å; A477-L601 HydrophobicContact CB-CD1 3.74Å; L478-L601 HydrophobicContact CB-CD1 3.87Å; L478-L601 HydrophobicContact CD1-CD1 4.39Å; L478-L601 HydrophobicContact CD1-CD2 4.32Å; V481-L601 HydrophobicContact CG1-CB 4.07Å; V481-L601 HydrophobicContact CG1-CD1 4.48Å; V481-L601 HydrophobicContact CG2-CB 4.39Å; F597-L601 WeakPolarHBondContact O-CB 3.46Å; F597-L601 WeakPolarHBondContact O-CD1 3.18Å; F597-L601 WeakPolarHBondContact O-CG 3.27Å; F597-L601 PolarHBondContact O-N 2.89Å; G599-L601 VanDerWaalsContact C-N 3.31Å; G599-L601 PolarHBondContact O-N 2.95Å; L601-R607 WeakPolarHBondContact O-CG 3.23Å; L601-L610 HydrophobicContact CD2-CD1 3.99Å
602	L	80	Confident	73.1	Confident	8 Å²	8	37.6 Å²	37.6	4%	0.042	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-17	175.6	-63.9	164.5	0	0	0	112.3	V481 M598 G599 G600 R607 V622 I625 L629 F656	V481-L602 HydrophobicContact CG2-CD2 3.5Å; V481-L602 HydrophobicContact CG2-CG 3.86Å; M598-L602 VanDerWaalsContact O-CD1 3.3Å; M598-L602 WeakPolarHBondContact O-CD1 3.33Å; M598-L602 WeakPolarHBondContact O-CG 3.25Å; G599-L602 WeakPolarHBondContact O-CB 3.24Å; G599-L602 PolarHBondContact O-N 2.84Å; G599-L602 VanDerWaalsContact O-N 3.17Å; G600-L602 PolarHBondContact O-N 3.12Å; L602-R607 PolarHBondContact O-NE 3.42Å; L602-V622 HydrophobicContact CD2-CB 4.23Å; L602-V622 HydrophobicContact CD2-CG1 4.13Å; L602-V622 HydrophobicContact CD2-CG2 4.09Å; L602-I625 HydrophobicContact CD1-CB 4.12Å; L602-I625 HydrophobicContact CD1-CG2 3.67Å; L602-I625 HydrophobicContact CD2-CB 4.48Å; L602-L629 HydrophobicContact CD1-CD1 4.03Å; L602-F656 HydrophobicContact CB-CD2 4.22Å; L602-F656 HydrophobicContact CB-CE2 3.7Å; L602-F656 HydrophobicContact CD1-CD2 4.29Å; L602-F656 HydrophobicContact CD1-CE2 3.68Å; L602-F656 HydrophobicContact CG-CE2 4.32Å
603	Q	82.6	Confident	74.1	Confident	22 Å²	22	32.7 Å²	32.7	10%	0.103	16%	0.158	C	C	.	.	S	Bend	trans	-55	137	175.3	-174.2	-178.4	6.2	0	0	111.1	T350 G600 S605 N606 R607 Q657	T350-Q603 PolarHBondContact OG1-OE1 2.94Å; T350-Q603 VanDerWaalsContact OG1-OE1 3.07Å; G600-Q603 WeakPolarHBondContact O-CB 3.46Å; G600-Q603 PolarHBondContact O-N 2.95Å; Q603-S605 WeakPolarHBondContact CG-OG 3.33Å; Q603-S605 PolarHBondContact NE2-OG 3.13Å; Q603-S605 PolarHBondContact O-N 3.01Å; Q603-N606 HydrophobicContact CB-CB 4.3Å; Q603-N606 PolarHBondContact O-N 3.16Å; Q603-N606 PolarHBondContact OE1-ND2 3.45Å; Q603-R607 WeakPolarHBondContact O-CG 3.49Å; Q603-R607 PolarHBondContact O-N 2.96Å; Q603-Q657 HydrophobicContact CG-CB 3.8Å; Q603-Q657 HydrophobicContact CG-CG 4.37Å
604	Y	82.4	Confident	75.1	Confident	168 Å²	168	33.4 Å²	33.4	66%	0.659	16%	0.162	S	C	*	.	H	α-helix	trans	-59.4	-45.8	-175.9	175.1	-104.4	0	0	0	113.5	R607 V608	Y604-R607 PolarHBondContact O-N 3.11Å; Y604-V608 HydrophobicContact CD1-CG2 4.46Å; Y604-V608 HydrophobicContact CD2-CG2 4.46Å; Y604-V608 HydrophobicContact CE1-CG2 3.96Å; Y604-V608 HydrophobicContact CE2-CG2 3.97Å; Y604-V608 WeakPolarHBondContact O-CG2 3.26Å; Y604-V608 PolarHBondContact O-N 3.07Å
605	S	73	Confident	76.1	Confident	34 Å²	34	32.4 Å²	32.4	24%	0.238	16%	0.159	C	C	.	.	H	α-helix	trans	-58.9	-48.8	177.3	45.9	0	0	0	0	111.6	Q603 R607 V608 L609	Q603-S605 WeakPolarHBondContact CG-OG 3.33Å; Q603-S605 PolarHBondContact NE2-OG 3.13Å; Q603-S605 PolarHBondContact O-N 3.01Å; S605-R607 VanDerWaalsContact C-N 3.3Å; S605-R607 PolarHBondContact O-N 2.69Å; S605-V608 WeakPolarHBondContact O-CB 3.39Å; S605-V608 PolarHBondContact O-N 3.44Å; S605-L609 WeakPolarHBondContact O-CG 3.2Å; S605-L609 PolarHBondContact O-N 2.89Å
606	N	82.2	Confident	77.2	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.011	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-39.9	177.7	-64.8	-15.6	0	0	0	111.3	G353 T356 G600 Q603 V608 L609 L610	G353-N606 VanDerWaalsContact CA-OD1 3.3Å; G353-N606 WeakPolarHBondContact CA-OD1 3.05Å; T356-N606 HydrophobicContact CG2-CB 4.38Å; G600-N606 PolarHBondContact O-ND2 2.83Å; Q603-N606 HydrophobicContact CB-CB 4.3Å; Q603-N606 PolarHBondContact O-N 3.16Å; Q603-N606 PolarHBondContact OE1-ND2 3.45Å; N606-V608 VanDerWaalsContact C-N 3.33Å; N606-V608 PolarHBondContact O-N 3.26Å; N606-L609 PolarHBondContact O-N 2.92Å; N606-L609 VanDerWaalsContact O-N 3.17Å; N606-L610 VanDerWaalsContact O-CG 3.27Å; N606-L610 WeakPolarHBondContact O-CG 3.45Å; N606-L610 PolarHBondContact O-N 2.92Å
607	R	85.1	Confident	78	Confident	43 Å²	43	34 Å²	34	16%	0.162	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-31.8	173.4	-68.2	-171.8	-65.1	107.3	-0.1	113.8	L601 L602 Q603 Y604 S605 Q611 V617	L601-R607 WeakPolarHBondContact O-CG 3.23Å; L602-R607 PolarHBondContact O-NE 3.42Å; Q603-R607 WeakPolarHBondContact O-CG 3.49Å; Q603-R607 PolarHBondContact O-N 2.96Å; Y604-R607 PolarHBondContact O-N 3.11Å; S605-R607 VanDerWaalsContact C-N 3.3Å; S605-R607 PolarHBondContact O-N 2.69Å; R607-Q611 WeakPolarHBondContact O-CB 3.4Å; R607-Q611 VanDerWaalsContact O-CG 3.29Å; R607-Q611 WeakPolarHBondContact O-CG 3.44Å; R607-Q611 PolarHBondContact O-N 2.89Å; R607-V617 HydrophobicContact CG-CB 4.13Å; R607-V617 HydrophobicContact CG-CG2 4.14Å
608	V	79	Confident	78.2	Confident	42 Å²	42	39.8 Å²	39.8	26%	0.255	19%	0.191	S	C	.	.	H	α-helix	trans	-70.9	-35.1	172.2	172.3	0	0	0	0	111.8	Y604 S605 N606 Q612	Y604-V608 HydrophobicContact CD1-CG2 4.46Å; Y604-V608 HydrophobicContact CD2-CG2 4.46Å; Y604-V608 HydrophobicContact CE1-CG2 3.96Å; Y604-V608 HydrophobicContact CE2-CG2 3.97Å; Y604-V608 WeakPolarHBondContact O-CG2 3.26Å; Y604-V608 PolarHBondContact O-N 3.07Å; S605-V608 WeakPolarHBondContact O-CB 3.39Å; S605-V608 PolarHBondContact O-N 3.44Å; N606-V608 VanDerWaalsContact C-N 3.33Å; N606-V608 PolarHBondContact O-N 3.26Å; V608-Q612 PolarHBondContact O-N 2.92Å; V608-Q612 PolarHBondContact O-NE2 3.43Å
609	L	73.8	Confident	78.5	Confident	26 Å²	26	43.5 Å²	43.5	14%	0.136	22%	0.218	C	C	.	.	H	α-helix	trans	-68.1	-41.6	172.3	-58.2	174.2	0	0	0	111.2	T356 R360 S605 N606 Q612	T356-L609 HydrophobicContact CG2-CB 3.7Å; T356-L609 HydrophobicContact CG2-CD1 4.11Å; R360-L609 VanDerWaalsContact CD-CD2 3.48Å; S605-L609 WeakPolarHBondContact O-CG 3.2Å; S605-L609 PolarHBondContact O-N 2.89Å; N606-L609 PolarHBondContact O-N 2.92Å; N606-L609 VanDerWaalsContact O-N 3.17Å; L609-Q612 WeakPolarHBondContact O-CB 3.46Å; L609-Q612 PolarHBondContact O-N 3.22Å; L609-Q612 VanDerWaalsContact O-N 3.17Å
610	L	83.6	Confident	78.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-33.5	175.8	-68.4	169.9	0	0	0	112.8	T356 L478 L601 N606 Q612 L613 D614 C615 V617	T356-L610 HydrophobicContact CG2-CD2 3.89Å; T356-L610 HydrophobicContact CG2-CG 3.84Å; L478-L610 HydrophobicContact CD1-CD1 3.81Å; L478-L610 HydrophobicContact CD1-CD2 3.73Å; L478-L610 HydrophobicContact CD1-CG 4.41Å; L478-L610 HydrophobicContact CD2-CD2 3.87Å; L478-L610 HydrophobicContact CG-CD2 4.5Å; L601-L610 HydrophobicContact CD2-CD1 3.99Å; N606-L610 VanDerWaalsContact O-CG 3.27Å; N606-L610 WeakPolarHBondContact O-CG 3.45Å; N606-L610 PolarHBondContact O-N 2.92Å; L610-Q612 PolarHBondContact O-N 2.76Å; L610-L613 HydrophobicContact CD2-CD1 4.46Å; L610-L613 CarbonylContact O-C 3.51Å; L610-L613 WeakPolarHBondContact O-CA 3.21Å; L610-L613 WeakPolarHBondContact O-CB 3.42Å; L610-L613 PolarHBondContact O-N 3.37Å; L610-D614 PolarHBondContact O-N 3.34Å; L610-C615 HydrophobicContact CB-CB 4.01Å; L610-C615 WeakPolarHBondContact CB-O 3.49Å; L610-C615 HydrophobicContact CD2-CB 4.18Å; L610-C615 CarbonylContact O-C 3.58Å; L610-C615 WeakPolarHBondContact O-CA 3.45Å; L610-C615 WeakPolarHBondContact O-CB 3.25Å; L610-C615 PolarHBondContact O-N 2.76Å; L610-V617 HydrophobicContact CD1-CG2 4.07Å
611	Q	80.5	Confident	78.6	Confident	94 Å²	94	47.9 Å²	47.9	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-62	-30.7	172	-81.1	172.2	-15	0	0	112.7	R607 L613 D614 N616	R607-Q611 WeakPolarHBondContact O-CB 3.4Å; R607-Q611 VanDerWaalsContact O-CG 3.29Å; R607-Q611 WeakPolarHBondContact O-CG 3.44Å; R607-Q611 PolarHBondContact O-N 2.89Å; Q611-L613 PolarHBondContact O-N 3.42Å; Q611-D614 PolarHBondContact O-N 1.86Å; Q611-N616 HydrophobicContact CG-CB 4.25Å; Q611-N616 WeakPolarHBondContact CG-OD1 3.42Å; Q611-N616 PolarHBondContact NE2-OD1 2.75Å
612	Q	74.6	Confident	78.2	Confident	97 Å²	97	48.7 Å²	48.7	45%	0.453	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-6.8	172.8	-63.8	169.9	41.2	0	0	112.9	R360 V608 L609 L610	R360-Q612 VanDerWaalsContact CZ-OE1 3.28Å; V608-Q612 PolarHBondContact O-N 2.92Å; V608-Q612 PolarHBondContact O-NE2 3.43Å; L609-Q612 WeakPolarHBondContact O-CB 3.46Å; L609-Q612 PolarHBondContact O-N 3.22Å; L609-Q612 VanDerWaalsContact O-N 3.17Å; L610-Q612 PolarHBondContact O-N 2.76Å
613	L	74.9	Confident	77.9	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.01	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	14.9	173.5	-70.1	165.3	0	0	0	112.3	F359 R360 F363 S384 M386 L610 Q611 C615	F359-L613 HydrophobicContact CB-CD1 3.96Å; R360-L613 HydrophobicContact CB-CD1 4.4Å; F363-L613 HydrophobicContact CB-CD2 3.88Å; S384-L613 PolarHBondContact OG-O 3.14Å; M386-L613 HydrophobicContact CB-CB 4.23Å; M386-L613 HydrophobicContact CB-CD2 3.92Å; M386-L613 HydrophobicContact CG-CB 4.13Å; M386-L613 HydrophobicContact CG-CD1 4.24Å; M386-L613 HydrophobicContact CG-CD2 4.03Å; M386-L613 HydrophobicContact CG-CG 4.38Å; L610-L613 HydrophobicContact CD2-CD1 4.46Å; L610-L613 CarbonylContact O-C 3.51Å; L610-L613 WeakPolarHBondContact O-CA 3.21Å; L610-L613 WeakPolarHBondContact O-CB 3.42Å; L610-L613 PolarHBondContact O-N 3.37Å; Q611-L613 PolarHBondContact O-N 3.42Å; L613-C615 HydrophobicContact CB-CB 4.45Å; L613-C615 PolarHBondContact O-N 3.03Å; L613-C615 PolarHBondContact O-SG 2.74Å; L613-C615 VanDerWaalsContact O-SG 3.39Å
614	D	77.9	Confident	77.3	Confident	70 Å²	70	55 Å²	55	37%	0.374	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	10.8	-170.9	-170.5	42.9	0	0	0	114.3	S384 R387 L610 Q611 N616	S384-D614 PolarHBondContact N-OD2 3.23Å; R387-D614 HydrophobicContact CB-CB 4.38Å; R387-D614 WeakPolarHBondContact CD-O 3.4Å; L610-D614 PolarHBondContact O-N 3.34Å; Q611-D614 PolarHBondContact O-N 1.86Å; D614-N616 VanDerWaalsContact C-N 3.29Å; D614-N616 PolarHBondContact O-N 2.95Å; D614-N616 VanDerWaalsContact O-N 3.1Å
615	C	81.8	Confident	76.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.			trans	-89.9	61.6	179.1	-67.7	0	0	0	0	110.3	L482 L610 L613 V617	L482-C615 HydrophobicContact CD1-CB 4.19Å; L482-C615 HydrophobicContact CD2-CB 3.99Å; L482-C615 WeakPolarHBondContact CD2-O 3.49Å; L610-C615 HydrophobicContact CB-CB 4.01Å; L610-C615 WeakPolarHBondContact CB-O 3.49Å; L610-C615 HydrophobicContact CD2-CB 4.18Å; L610-C615 CarbonylContact O-C 3.58Å; L610-C615 WeakPolarHBondContact O-CA 3.45Å; L610-C615 WeakPolarHBondContact O-CB 3.25Å; L610-C615 PolarHBondContact O-N 2.76Å; L613-C615 HydrophobicContact CB-CB 4.45Å; L613-C615 PolarHBondContact O-N 3.03Å; L613-C615 PolarHBondContact O-SG 2.74Å; L613-C615 VanDerWaalsContact O-SG 3.39Å; C615-V617 PolarHBondContact O-N 2.89Å
616	N	80.7	Confident	76.5	Confident	94 Å²	94	47.4 Å²	47.4	50%	0.503	25%	0.253	S	S	.	.			trans	-76.6	106.5	-174.9	-169	13.8	0	0	0	113	Q611 D614 Q618	Q611-N616 HydrophobicContact CG-CB 4.25Å; Q611-N616 WeakPolarHBondContact CG-OD1 3.42Å; Q611-N616 PolarHBondContact NE2-OD1 2.75Å; D614-N616 VanDerWaalsContact C-N 3.29Å; D614-N616 PolarHBondContact O-N 2.95Å; D614-N616 VanDerWaalsContact O-N 3.1Å; N616-Q618 PolarHBondContact O-N 3.44Å
617	V	79.7	Confident	76.1	Confident	3 Å²	3	55 Å²	55	2%	0.018	28%	0.281	C	S	.	.			trans	-77	116	-179.1	-177.9	0	0	0	0	111.4	V481 L482 R607 L610 C615 S619 V622	V481-V617 HydrophobicContact CG1-CG1 4.09Å; V481-V617 HydrophobicContact CG1-CG2 3.67Å; V481-V617 WeakPolarHBondContact O-CG1 3.48Å; L482-V617 HydrophobicContact CD2-CG2 3.83Å; R607-V617 HydrophobicContact CG-CB 4.13Å; R607-V617 HydrophobicContact CG-CG2 4.14Å; L610-V617 HydrophobicContact CD1-CG2 4.07Å; C615-V617 PolarHBondContact O-N 2.89Å; V617-S619 PolarHBondContact O-N 3.27Å; V617-V622 HydrophobicContact CG1-CG2 3.62Å
618	Q	76.3	Confident	75.3	Confident	120 Å²	120	53.7 Å²	53.7	56%	0.561	28%	0.28	S	S	*	.			trans	-63.6	131.4	-177.4	-61.4	-168.2	3.2	0	0	113.3	N616 T620 T621 V622	N616-Q618 PolarHBondContact O-N 3.44Å; Q618-T620 PolarHBondContact O-N 2.94Å; Q618-T620 VanDerWaalsContact O-N 3.16Å; Q618-T621 WeakPolarHBondContact O-CA 3.25Å; Q618-T621 WeakPolarHBondContact O-CB 3.44Å; Q618-T621 PolarHBondContact O-N 3.48Å; Q618-V622 PolarHBondContact O-N 3.22Å
619	S	76.3	Confident	74.8	Confident	89 Å²	89	53.3 Å²	53.3	62%	0.622	28%	0.276	S	S	*	.	H	α-helix	trans	-57.2	-31.5	-180	-55.3	0	0	0	0	114.1	V617 V623	V617-S619 PolarHBondContact O-N 3.27Å; S619-V623 WeakPolarHBondContact O-CG2 3.43Å; S619-V623 PolarHBondContact O-N 3.32Å
620	T	73.8	Confident	75	Confident	85 Å²	85	56.6 Å²	56.6	52%	0.521	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-49.2	172.4	39.5	0	0	0	0	111.7	Q618 V623 Q624	Q618-T620 PolarHBondContact O-N 2.94Å; Q618-T620 VanDerWaalsContact O-N 3.16Å; T620-V623 PolarHBondContact O-N 3.01Å; T620-Q624 WeakPolarHBondContact O-CG 3.22Å; T620-Q624 PolarHBondContact O-N 3.38Å
621	T	70.1	Confident	74.6	Confident	6 Å²	6	62 Å²	62	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-61.7	-44	175.6	-53.3	0	0	0	0	111.1	V481 L489 Q618 V623 Q624 I625	V481-T621 VanDerWaalsContact O-CG2 3.29Å; V481-T621 WeakPolarHBondContact O-CG2 3.18Å; L489-T621 HydrophobicContact CD1-CG2 4.1Å; L489-T621 HydrophobicContact CD2-CG2 3.87Å; Q618-T621 WeakPolarHBondContact O-CA 3.25Å; Q618-T621 WeakPolarHBondContact O-CB 3.44Å; Q618-T621 PolarHBondContact O-N 3.48Å; T621-V623 VanDerWaalsContact C-N 3.34Å; T621-V623 PolarHBondContact O-N 3.02Å; T621-Q624 PolarHBondContact O-N 3.05Å; T621-I625 HydrophobicContact CG2-CD1 3.66Å; T621-I625 HydrophobicContact CG2-CG1 4.2Å; T621-I625 WeakPolarHBondContact O-CG1 3.31Å; T621-I625 PolarHBondContact O-N 2.93Å
622	V	73.9	Confident	74.3	Confident	17 Å²	17	61 Å²	61	10%	0.103	31%	0.305	C	S	.	.	H	α-helix	trans	-55.1	-49.5	175	178.6	0	0	0	0	111	L602 V617 Q618 Q624 T626	L602-V622 HydrophobicContact CD2-CB 4.23Å; L602-V622 HydrophobicContact CD2-CG1 4.13Å; L602-V622 HydrophobicContact CD2-CG2 4.09Å; V617-V622 HydrophobicContact CG1-CG2 3.62Å; Q618-V622 PolarHBondContact O-N 3.22Å; V622-Q624 PolarHBondContact O-N 3.43Å; V622-T626 WeakPolarHBondContact O-CB 3.29Å; V622-T626 PolarHBondContact O-N 3.17Å; V622-T626 PolarHBondContact O-OG1 3.28Å
623	V	73.2	Confident	74.2	Confident	66 Å²	66	56.6 Å²	56.6	40%	0.4	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-36.5	-179.7	169.6	0	0	0	0	112.2	S619 T620 T621 R627	S619-V623 WeakPolarHBondContact O-CG2 3.43Å; S619-V623 PolarHBondContact O-N 3.32Å; T620-V623 PolarHBondContact O-N 3.01Å; T621-V623 VanDerWaalsContact C-N 3.34Å; T621-V623 PolarHBondContact O-N 3.02Å; V623-R627 VanDerWaalsContact CG1-CZ 3.41Å; V623-R627 WeakPolarHBondContact O-CB 3.41Å; V623-R627 WeakPolarHBondContact O-CD 3.4Å; V623-R627 WeakPolarHBondContact O-CG 3.19Å; V623-R627 PolarHBondContact O-N 3.31Å; V623-R627 VanDerWaalsContact O-N 3.17Å
624	Q	70.4	Confident	74.5	Confident	96 Å²	96	59 Å²	59	45%	0.449	30%	0.299	S	S	.	.	H	α-helix	trans	-67	-54	176.6	-73.8	174.4	-1.9	0	0	112	T620 T621 V622 T626 R627 A628	T620-Q624 WeakPolarHBondContact O-CG 3.22Å; T620-Q624 PolarHBondContact O-N 3.38Å; T621-Q624 PolarHBondContact O-N 3.05Å; V622-Q624 PolarHBondContact O-N 3.43Å; Q624-T626 PolarHBondContact O-N 2.88Å; Q624-R627 PolarHBondContact O-N 3.35Å; Q624-A628 PolarHBondContact O-N 3Å
625	I	67.7	Low	74.5	Confident	16 Å²	16	59.3 Å²	59.3	8%	0.082	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-42.4	-178.8	-57.9	174.1	0	0	0	110.3	V481 L489 L602 T621 R627 A628 L629	V481-I625 HydrophobicContact CG2-CD1 3.91Å; L489-I625 HydrophobicContact CD1-CD1 3.82Å; L489-I625 HydrophobicContact CD1-CG1 3.6Å; L602-I625 HydrophobicContact CD1-CB 4.12Å; L602-I625 HydrophobicContact CD1-CG2 3.67Å; L602-I625 HydrophobicContact CD2-CB 4.48Å; T621-I625 HydrophobicContact CG2-CD1 3.66Å; T621-I625 HydrophobicContact CG2-CG1 4.2Å; T621-I625 WeakPolarHBondContact O-CG1 3.31Å; T621-I625 PolarHBondContact O-N 2.93Å; I625-R627 VanDerWaalsContact C-N 3.32Å; I625-R627 PolarHBondContact O-N 3.33Å; I625-A628 PolarHBondContact O-N 3.35Å; I625-L629 HydrophobicContact CG2-CD1 3.74Å; I625-L629 HydrophobicContact CG2-CG 3.95Å; I625-L629 WeakPolarHBondContact O-CB 3.2Å; I625-L629 WeakPolarHBondContact O-CG 3.07Å; I625-L629 PolarHBondContact O-N 3.32Å
626	T	71.1	Confident	74	Confident	27 Å²	27	60.6 Å²	60.6	17%	0.166	30%	0.301	C	S	.	.	H	α-helix	trans	-55.3	-45.1	174.9	-61.3	0	0	0	0	112.1	V622 Q624 R630 F656 L661	V622-T626 WeakPolarHBondContact O-CB 3.29Å; V622-T626 PolarHBondContact O-N 3.17Å; V622-T626 PolarHBondContact O-OG1 3.28Å; Q624-T626 PolarHBondContact O-N 2.88Å; T626-R630 VanDerWaalsContact O-CB 3.27Å; T626-R630 WeakPolarHBondContact O-CB 3.5Å; T626-R630 PolarHBondContact O-N 3Å; T626-F656 HydrophobicContact CG2-CE1 4.27Å; T626-F656 HydrophobicContact CG2-CZ 3.69Å; T626-L661 HydrophobicContact CG2-CD1 3.87Å
627	R	74.2	Confident	73.7	Confident	161 Å²	161	56.6 Å²	56.6	61%	0.608	28%	0.28	S	S	*	.	H	α-helix	trans	-67.5	-37.9	179.2	-75	169.6	179.6	175.6	1.5	112.4	V623 Q624 I625 K631	V623-R627 VanDerWaalsContact CG1-CZ 3.41Å; V623-R627 WeakPolarHBondContact O-CB 3.41Å; V623-R627 WeakPolarHBondContact O-CD 3.4Å; V623-R627 WeakPolarHBondContact O-CG 3.19Å; V623-R627 PolarHBondContact O-N 3.31Å; V623-R627 VanDerWaalsContact O-N 3.17Å; Q624-R627 PolarHBondContact O-N 3.35Å; I625-R627 VanDerWaalsContact C-N 3.32Å; I625-R627 PolarHBondContact O-N 3.33Å; R627-K631 PolarHBondContact O-N 3.42Å
628	A	68.8	Low	73.5	Confident	17 Å²	17	59.9 Å²	59.9	14%	0.14	30%	0.303	C	S	.	.	H	α-helix	trans	-68.5	-51.8	177.2	0	0	0	0	0	111.6	V496 Q624 I625 R630 K631 H632	V496-A628 HydrophobicContact CG1-CB 4.29Å; Q624-A628 PolarHBondContact O-N 3Å; I625-A628 PolarHBondContact O-N 3.35Å; A628-R630 PolarHBondContact O-N 2.99Å; A628-K631 PolarHBondContact O-N 3.17Å; A628-K631 VanDerWaalsContact O-N 3.13Å; A628-H632 PolarHBondContact O-N 3.48Å
629	L	67.8	Low	73.6	Confident	33 Å²	33	58.4 Å²	58.4	17%	0.173	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-44	177.1	-70.8	178.9	0	0	0	111.6	L602 I625 K631 H632 L633	L602-L629 HydrophobicContact CD1-CD1 4.03Å; I625-L629 HydrophobicContact CG2-CD1 3.74Å; I625-L629 HydrophobicContact CG2-CG 3.95Å; I625-L629 WeakPolarHBondContact O-CB 3.2Å; I625-L629 WeakPolarHBondContact O-CG 3.07Å; I625-L629 PolarHBondContact O-N 3.32Å; L629-K631 VanDerWaalsContact C-N 3.33Å; L629-K631 PolarHBondContact O-N 3.48Å; L629-H632 PolarHBondContact O-N 3.28Å; L629-L633 WeakPolarHBondContact O-CB 3.32Å; L629-L633 WeakPolarHBondContact O-CG 3.36Å; L629-L633 PolarHBondContact O-N 2.98Å
630	R	77.8	Confident	73.4	Confident	95 Å²	95	60.5 Å²	60.5	36%	0.358	31%	0.306	S	S	.	.	H	α-helix	trans	-55.4	-47.1	174	-172.2	-178	59.2	174.4	4.4	112.3	T626 A628 H632 L633 V634 L661 E664 V665	T626-R630 VanDerWaalsContact O-CB 3.27Å; T626-R630 WeakPolarHBondContact O-CB 3.5Å; T626-R630 PolarHBondContact O-N 3Å; A628-R630 PolarHBondContact O-N 2.99Å; R630-H632 VanDerWaalsContact C-N 3.29Å; R630-H632 PolarHBondContact O-N 3.12Å; R630-L633 PolarHBondContact O-N 3.46Å; R630-V634 HydrophobicContact CG-CG2 4.42Å; R630-V634 WeakPolarHBondContact O-CG2 3.18Å; R630-V634 PolarHBondContact O-N 3.47Å; R630-L661 HydrophobicContact CB-CD1 3.7Å; R630-L661 HydrophobicContact CB-CG 4.43Å; R630-L661 HydrophobicContact CG-CD1 4.07Å; R630-L661 HydrophobicContact CG-CG 4.3Å; R630-E664 WeakPolarHBondContact CD-OE2 3.37Å; R630-E664 IonicContact CZ-OE2 3.22Å; R630-E664 IonicContact NE-OE2 2.72Å; R630-E664 IonicContact NH1-OE1 3.72Å; R630-E664 IonicContact NH1-OE2 3.41Å; R630-E664 PolarHBondContact NH1-OE2 3.36Å; R630-V665 HydrophobicContact CG-CG2 4.36Å
631	K	76.4	Confident	73.4	Confident	113 Å²	113	58.8 Å²	58.8	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-35.1	-178.3	-166.4	-174.4	-175.3	-168	0	111.8	I500 R627 A628 L629 R635	I500-K631 HydrophobicContact CD1-CD 3.87Å; I500-K631 HydrophobicContact CD1-CG 4.46Å; I500-K631 VanDerWaalsContact CD1-NZ 3.28Å; R627-K631 PolarHBondContact O-N 3.42Å; A628-K631 PolarHBondContact O-N 3.17Å; A628-K631 VanDerWaalsContact O-N 3.13Å; L629-K631 VanDerWaalsContact C-N 3.33Å; L629-K631 PolarHBondContact O-N 3.48Å; K631-R635 WeakPolarHBondContact O-CB 3.46Å; K631-R635 PolarHBondContact O-N 3Å
632	H	73	Confident	73.6	Confident	74 Å²	74	61.4 Å²	61.4	34%	0.343	31%	0.309	S	S	.	.	H	α-helix	trans	-69.7	-53.2	173.4	176.8	58.6	0	0	0	111.5	A628 L629 R630 V634 R635 E636	A628-H632 PolarHBondContact O-N 3.48Å; L629-H632 PolarHBondContact O-N 3.28Å; R630-H632 VanDerWaalsContact C-N 3.29Å; R630-H632 PolarHBondContact O-N 3.12Å; H632-V634 PolarHBondContact O-N 3.39Å; H632-R635 WeakPolarHBondContact O-CA 3.45Å; H632-R635 WeakPolarHBondContact O-CB 3.38Å; H632-R635 PolarHBondContact O-N 2.89Å; H632-E636 VanDerWaalsContact CE1-CG 3.42Å; H632-E636 WeakPolarHBondContact CE1-CG 3.36Å; H632-E636 PolarHBondContact O-N 3.06Å
633	L	72.4	Confident	73.6	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-54	-49.4	179.1	-76	164.2	0	0	0	112.4	L629 R630 R635 E636 L637 L649 L652 L653 L661 V665	L629-L633 WeakPolarHBondContact O-CB 3.32Å; L629-L633 WeakPolarHBondContact O-CG 3.36Å; L629-L633 PolarHBondContact O-N 2.98Å; R630-L633 PolarHBondContact O-N 3.46Å; L633-R635 VanDerWaalsContact C-N 3.27Å; L633-R635 PolarHBondContact O-N 3.27Å; L633-E636 PolarHBondContact O-N 3.46Å; L633-L637 HydrophobicContact CB-CD1 4.34Å; L633-L637 HydrophobicContact CD2-CD1 4Å; L633-L637 VanDerWaalsContact O-CB 3.26Å; L633-L637 WeakPolarHBondContact O-CB 3.32Å; L633-L637 WeakPolarHBondContact O-CG 3.16Å; L633-L637 PolarHBondContact O-N 3.28Å; L633-L649 HydrophobicContact CD2-CD2 4.07Å; L633-L652 HydrophobicContact CD2-CD2 4.03Å; L633-L652 HydrophobicContact CD2-CG 4.41Å; L633-L653 HydrophobicContact CD1-CD2 3.97Å; L633-L653 HydrophobicContact CD1-CG 4.49Å; L633-L653 HydrophobicContact CD2-CG 4.31Å; L633-L661 HydrophobicContact CD1-CD2 4.23Å; L633-V665 HydrophobicContact CB-CG1 4.11Å; L633-V665 HydrophobicContact CB-CG2 4.02Å
634	V	81.1	Confident	73.4	Confident	51 Å²	51	63.3 Å²	63.3	31%	0.309	32%	0.317	S	S	.	.	H	α-helix	trans	-60.1	-35.4	175.7	172	0	0	0	0	112.1	R630 H632 S638 V665	R630-V634 HydrophobicContact CG-CG2 4.42Å; R630-V634 WeakPolarHBondContact O-CG2 3.18Å; R630-V634 PolarHBondContact O-N 3.47Å; H632-V634 PolarHBondContact O-N 3.39Å; V634-S638 VanDerWaalsContact O-CB 3.3Å; V634-S638 WeakPolarHBondContact O-CB 3.43Å; V634-S638 PolarHBondContact O-N 3.36Å; V634-S638 PolarHBondContact O-OG 2.9Å; V634-V665 HydrophobicContact CG2-CB 4.49Å; V634-V665 HydrophobicContact CG2-CG2 4.01Å
635	R	78.6	Confident	73.7	Confident	77 Å²	77	63.7 Å²	63.7	29%	0.291	32%	0.319	S	S	.	.	H	α-helix	trans	-75.8	-35.4	-179.6	-173.2	-173.1	-176.8	-148	11.2	112.6	A499 K631 H632 L633 S638 K639	A499-R635 VanDerWaalsContact O-CZ 3.26Å; A499-R635 PolarHBondContact O-NH1 3.42Å; A499-R635 PolarHBondContact O-NH2 2.98Å; K631-R635 WeakPolarHBondContact O-CB 3.46Å; K631-R635 PolarHBondContact O-N 3Å; H632-R635 WeakPolarHBondContact O-CA 3.45Å; H632-R635 WeakPolarHBondContact O-CB 3.38Å; H632-R635 PolarHBondContact O-N 2.89Å; L633-R635 VanDerWaalsContact C-N 3.27Å; L633-R635 PolarHBondContact O-N 3.27Å; R635-S638 PolarHBondContact O-OG 3.19Å; R635-K639 VanDerWaalsContact O-CE 3.29Å; R635-K639 WeakPolarHBondContact O-CE 3.26Å; R635-K639 WeakPolarHBondContact O-CG 3.45Å
636	E	71.9	Confident	74.3	Confident	27 Å²	27	63.7 Å²	63.7	13%	0.126	32%	0.319	C	S	.	.	H	α-helix	trans	-87.6	-38	-177.1	-59.2	-45.4	129	0	0	112.3	H632 L633 S638 K639 Q641 L649	H632-E636 VanDerWaalsContact CE1-CG 3.42Å; H632-E636 WeakPolarHBondContact CE1-CG 3.36Å; H632-E636 PolarHBondContact O-N 3.06Å; L633-E636 PolarHBondContact O-N 3.46Å; E636-S638 VanDerWaalsContact C-N 3.25Å; E636-S638 PolarHBondContact O-N 3.28Å; E636-K639 PolarHBondContact O-N 3Å; E636-K639 IonicContact OE1-NZ 3.21Å; E636-K639 PolarHBondContact OE1-NZ 2.74Å; E636-K639 WeakPolarHBondContact OE2-CE 3.27Å; E636-K639 IonicContact OE2-NZ 3.63Å; E636-K639 PolarHBondContact OE2-NZ 2.71Å; E636-Q641 WeakPolarHBondContact O-CG 3.39Å; E636-Q641 PolarHBondContact O-NE2 2.97Å; E636-Q641 PolarHBondContact OE2-NE2 3.19Å; E636-L649 HydrophobicContact CB-CD1 4.34Å
637	L	73.8	Confident	74.8	Confident	10 Å²	10	62.4 Å²	62.4	5%	0.052	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-7.6	177.1	-68.3	163.8	0	0	0	114.1	L633 L646 L649 L653 V665 I669	L633-L637 HydrophobicContact CB-CD1 4.34Å; L633-L637 HydrophobicContact CD2-CD1 4Å; L633-L637 VanDerWaalsContact O-CB 3.26Å; L633-L637 WeakPolarHBondContact O-CB 3.32Å; L633-L637 WeakPolarHBondContact O-CG 3.16Å; L633-L637 PolarHBondContact O-N 3.28Å; L637-L646 HydrophobicContact CD2-CD1 3.39Å; L637-L649 HydrophobicContact CD1-CB 4.44Å; L637-L649 HydrophobicContact CD2-CB 3.76Å; L637-L649 HydrophobicContact CD2-CD1 3.89Å; L637-L649 HydrophobicContact CD2-CG 4.47Å; L637-L649 HydrophobicContact CG-CB 4.27Å; L637-L649 HydrophobicContact CG-CD1 4.19Å; L637-L653 HydrophobicContact CD1-CD1 3.7Å; L637-V665 HydrophobicContact CD1-CG1 3.47Å; L637-V665 VanDerWaalsContact CD1-CG1 3.47Å; L637-I669 HydrophobicContact CB-CD1 3.89Å; L637-I669 HydrophobicContact CB-CG1 4.02Å; L637-I669 HydrophobicContact CD1-CD1 4.23Å; L637-I669 HydrophobicContact CD2-CD1 4.23Å; L637-I669 HydrophobicContact CG-CD1 4.35Å
638	S	75.6	Confident	74.7	Confident	73 Å²	73	57.9 Å²	57.9	51%	0.51	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-0.8	169.2	56.3	0	0	0	0	113.8	V634 R635 E636	V634-S638 VanDerWaalsContact O-CB 3.3Å; V634-S638 WeakPolarHBondContact O-CB 3.43Å; V634-S638 PolarHBondContact O-N 3.36Å; V634-S638 PolarHBondContact O-OG 2.9Å; R635-S638 PolarHBondContact O-OG 3.19Å; E636-S638 VanDerWaalsContact C-N 3.25Å; E636-S638 PolarHBondContact O-N 3.28Å
639	K	78	Confident	75.2	Confident	89 Å²	89	58.2 Å²	58.2	39%	0.387	30%	0.298	S	S	.	.	S	Bend	trans	-101.2	156.9	170.1	-60	174.2	-160.4	165.4	0	110.3	R635 E636 Q641	R635-K639 VanDerWaalsContact O-CE 3.29Å; R635-K639 WeakPolarHBondContact O-CE 3.26Å; R635-K639 WeakPolarHBondContact O-CG 3.45Å; E636-K639 PolarHBondContact O-N 3Å; E636-K639 IonicContact OE1-NZ 3.21Å; E636-K639 PolarHBondContact OE1-NZ 2.74Å; E636-K639 WeakPolarHBondContact OE2-CE 3.27Å; E636-K639 IonicContact OE2-NZ 3.63Å; E636-K639 PolarHBondContact OE2-NZ 2.71Å; K639-Q641 PolarHBondContact O-N 3.47Å
640	P	72.6	Confident	75.7	Confident	133 Å²	133	56.6 Å²	56.6	86%	0.864	29%	0.289	S	S	*	.			trans	-65.6	122.4	160.3	29.2	-32.9	0	0	0	109.4
641	Q	72.8	Confident	75.6	Confident	48 Å²	48	53.2 Å²	53.2	22%	0.224	28%	0.279	C	S	.	.			trans	-114.4	161.4	175.7	-59.3	-65.7	-0.7	0	0	110.1	E636 K639 L646 L649	E636-Q641 WeakPolarHBondContact O-CG 3.39Å; E636-Q641 PolarHBondContact O-NE2 2.97Å; E636-Q641 PolarHBondContact OE2-NE2 3.19Å; K639-Q641 PolarHBondContact O-N 3.47Å; Q641-L646 HydrophobicContact CB-CB 4.46Å; Q641-L649 HydrophobicContact CG-CD1 4.45Å
642	P	74.9	Confident	75.4	Confident	61 Å²	61	48.3 Å²	48.3	40%	0.396	26%	0.258	S	S	.	.			trans	-57.2	144.1	167.1	-26	37.8	0	0	0	112	E644 E645 L646	P642-E644 PolarHBondContact O-N 3.32Å; P642-E645 HydrophobicContact CB-CB 4.3Å; P642-E645 HydrophobicContact CB-CG 4.2Å; P642-E645 HydrophobicContact CG-CG 4.36Å; P642-E645 PolarHBondContact O-N 3.09Å; P642-E645 VanDerWaalsContact O-N 3.17Å; P642-L646 PolarHBondContact O-N 3.46Å
643	P	72.9	Confident	75.7	Confident	42 Å²	42	44.8 Å²	44.8	27%	0.273	24%	0.242	S	C	.	.	H	α-helix	trans	-54.6	-41.5	-175.4	-33.3	38.8	0	0	0	116.3	M647 L674 V677	P643-M647 PolarHBondContact O-N 2.97Å; P643-M647 VanDerWaalsContact O-N 3.12Å; P643-L674 VanDerWaalsContact O-CD2 3.29Å; P643-L674 WeakPolarHBondContact O-CD2 3.37Å; P643-V677 HydrophobicContact CB-CG2 3.48Å; P643-V677 VanDerWaalsContact CB-CG2 3.48Å
644	E	70.5	Confident	76.1	Confident	81 Å²	81	45.1 Å²	45.1	38%	0.379	24%	0.243	S	C	.	.	H	α-helix	trans	-71.4	-41.7	177.2	-66.2	-71.7	-176.9	0	0	111.6	P642 L646 M647 D648 V677 K683	P642-E644 PolarHBondContact O-N 3.32Å; E644-L646 VanDerWaalsContact C-N 3.28Å; E644-L646 PolarHBondContact O-N 2.89Å; E644-M647 CarbonylContact O-C 3.45Å; E644-M647 WeakPolarHBondContact O-CA 3.41Å; E644-M647 VanDerWaalsContact O-CB 3.31Å; E644-M647 WeakPolarHBondContact O-CB 3.13Å; E644-M647 PolarHBondContact O-N 3.4Å; E644-D648 PolarHBondContact O-N 2.66Å; E644-V677 HydrophobicContact CG-CG2 4.17Å; E644-V677 WeakPolarHBondContact OE2-CG1 3.26Å; E644-K683 IonicContact OE1-NZ 3.12Å; E644-K683 IonicContact OE2-NZ 2.72Å; E644-K683 PolarHBondContact OE2-NZ 2.76Å
645	E	75.4	Confident	75.8	Confident	105 Å²	105	42.9 Å²	42.9	49%	0.491	23%	0.229	S	C	.	.	H	α-helix	trans	-62.2	-35.8	175.7	-66.7	176.7	-149.4	0	0	111.8	P642 D648 L649	P642-E645 HydrophobicContact CB-CB 4.3Å; P642-E645 HydrophobicContact CB-CG 4.2Å; P642-E645 HydrophobicContact CG-CG 4.36Å; P642-E645 PolarHBondContact O-N 3.09Å; P642-E645 VanDerWaalsContact O-N 3.17Å; E645-D648 PolarHBondContact O-N 2.63Å; E645-L649 VanDerWaalsContact O-CG 3.28Å; E645-L649 WeakPolarHBondContact O-CG 3.24Å; E645-L649 PolarHBondContact O-N 3.41Å
646	L	80.4	Confident	75.8	Confident	16 Å²	16	39.7 Å²	39.7	8%	0.084	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-40.7	171	178.8	58.5	0	0	0	111.7	L637 Q641 P642 E644 L649 L650 I672 L674	L637-L646 HydrophobicContact CD2-CD1 3.39Å; Q641-L646 HydrophobicContact CB-CB 4.46Å; P642-L646 PolarHBondContact O-N 3.46Å; E644-L646 VanDerWaalsContact C-N 3.28Å; E644-L646 PolarHBondContact O-N 2.89Å; L646-L649 PolarHBondContact O-N 3.29Å; L646-L650 HydrophobicContact CG-CD1 4.39Å; L646-L650 VanDerWaalsContact O-CG 3.31Å; L646-L650 WeakPolarHBondContact O-CG 3.41Å; L646-L650 PolarHBondContact O-N 3.39Å; L646-L650 VanDerWaalsContact O-N 3.12Å; L646-I672 HydrophobicContact CD2-CG2 4.18Å; L646-L674 HydrophobicContact CB-CD2 4.13Å; L646-L674 HydrophobicContact CD2-CD2 3.98Å; L646-L674 HydrophobicContact CG-CD2 3.93Å
647	M	81.4	Confident	76.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-43.3	174.7	-171.4	67.2	-123.7	0	0	111.5	P643 E644 L649 L650 V651 L674 M679 K683 I686	P643-M647 PolarHBondContact O-N 2.97Å; P643-M647 VanDerWaalsContact O-N 3.12Å; E644-M647 CarbonylContact O-C 3.45Å; E644-M647 WeakPolarHBondContact O-CA 3.41Å; E644-M647 VanDerWaalsContact O-CB 3.31Å; E644-M647 WeakPolarHBondContact O-CB 3.13Å; E644-M647 PolarHBondContact O-N 3.4Å; M647-L649 VanDerWaalsContact C-N 3.34Å; M647-L649 PolarHBondContact O-N 3.04Å; M647-L650 HydrophobicContact CE-CB 4.18Å; M647-L650 CarbonylContact O-C 3.56Å; M647-L650 WeakPolarHBondContact O-CA 3.44Å; M647-L650 WeakPolarHBondContact O-CB 3.38Å; M647-L650 PolarHBondContact O-N 3.1Å; M647-V651 HydrophobicContact CE-CG2 3.87Å; M647-V651 WeakPolarHBondContact O-CG2 3.36Å; M647-V651 PolarHBondContact O-N 2.99Å; M647-L674 HydrophobicContact CB-CD2 4.14Å; M647-L674 HydrophobicContact SD-CD1 4Å; M647-M679 HydrophobicContact SD-SD 4.27Å; M647-K683 HydrophobicContact CE-CB 4.04Å; M647-K683 HydrophobicContact CE-CG 4.07Å; M647-K683 HydrophobicContact CG-CD 3.74Å; M647-K683 HydrophobicContact CG-CG 4.04Å; M647-K683 HydrophobicContact SD-CB 3.98Å; M647-K683 HydrophobicContact SD-CD 4.07Å; M647-K683 HydrophobicContact SD-CG 4Å; M647-I686 HydrophobicContact CE-CB 4.25Å; M647-I686 HydrophobicContact CE-CG2 3.62Å
648	D	73.3	Confident	76.6	Confident	66 Å²	66	44 Å²	44	35%	0.353	24%	0.239	S	C	.	.	H	α-helix	trans	-65	-36.6	179.5	-65.9	-32	0	0	0	112.2	E644 E645 L650 V651 L652	E644-D648 PolarHBondContact O-N 2.66Å; E645-D648 PolarHBondContact O-N 2.63Å; D648-L650 VanDerWaalsContact C-N 3.3Å; D648-L650 PolarHBondContact O-N 3.03Å; D648-V651 PolarHBondContact O-N 2.84Å; D648-L652 WeakPolarHBondContact O-CB 3.47Å; D648-L652 PolarHBondContact O-N 3.39Å
649	L	77.9	Confident	77.2	Confident	23 Å²	23	44.1 Å²	44.1	12%	0.12	24%	0.238	C	C	.	.	H	α-helix	trans	-65.9	-31.1	171.4	-67.7	168.6	0	0	0	112.5	L633 E636 L637 Q641 E645 L646 M647 L653	L633-L649 HydrophobicContact CD2-CD2 4.07Å; E636-L649 HydrophobicContact CB-CD1 4.34Å; L637-L649 HydrophobicContact CD1-CB 4.44Å; L637-L649 HydrophobicContact CD2-CB 3.76Å; L637-L649 HydrophobicContact CD2-CD1 3.89Å; L637-L649 HydrophobicContact CD2-CG 4.47Å; L637-L649 HydrophobicContact CG-CB 4.27Å; L637-L649 HydrophobicContact CG-CD1 4.19Å; Q641-L649 HydrophobicContact CG-CD1 4.45Å; E645-L649 VanDerWaalsContact O-CG 3.28Å; E645-L649 WeakPolarHBondContact O-CG 3.24Å; E645-L649 PolarHBondContact O-N 3.41Å; L646-L649 PolarHBondContact O-N 3.29Å; M647-L649 VanDerWaalsContact C-N 3.34Å; M647-L649 PolarHBondContact O-N 3.04Å; L649-L653 WeakPolarHBondContact O-CG 3.11Å; L649-L653 PolarHBondContact O-N 3.46Å
650	L	80	Confident	77.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-74.3	-36.1	172	-68.5	165.1	0	0	0	112.1	L646 M647 D648 L653 Y654 I672 L687 V690	L646-L650 HydrophobicContact CG-CD1 4.39Å; L646-L650 VanDerWaalsContact O-CG 3.31Å; L646-L650 WeakPolarHBondContact O-CG 3.41Å; L646-L650 PolarHBondContact O-N 3.39Å; L646-L650 VanDerWaalsContact O-N 3.12Å; M647-L650 HydrophobicContact CE-CB 4.18Å; M647-L650 CarbonylContact O-C 3.56Å; M647-L650 WeakPolarHBondContact O-CA 3.44Å; M647-L650 WeakPolarHBondContact O-CB 3.38Å; M647-L650 PolarHBondContact O-N 3.1Å; D648-L650 VanDerWaalsContact C-N 3.3Å; D648-L650 PolarHBondContact O-N 3.03Å; L650-L653 HydrophobicContact CD2-CD1 4.36Å; L650-L653 PolarHBondContact O-N 3.05Å; L650-Y654 WeakPolarHBondContact O-CB 3.48Å; L650-Y654 PolarHBondContact O-N 2.88Å; L650-I672 HydrophobicContact CD1-CG2 4.39Å; L650-L687 HydrophobicContact CD1-CD1 4.19Å; L650-V690 HydrophobicContact CD2-CG1 3.95Å
651	V	73.8	Confident	78.2	Confident	23 Å²	23	43.6 Å²	43.6	14%	0.139	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-44.3	170.3	177.2	0	0	0	0	110.2	I596 M647 D648 L653 Y654 E655 I686	I596-V651 HydrophobicContact CD1-CB 4.22Å; I596-V651 HydrophobicContact CD1-CG1 3.74Å; I596-V651 HydrophobicContact CG1-CG1 4.06Å; M647-V651 HydrophobicContact CE-CG2 3.87Å; M647-V651 WeakPolarHBondContact O-CG2 3.36Å; M647-V651 PolarHBondContact O-N 2.99Å; D648-V651 PolarHBondContact O-N 2.84Å; V651-L653 PolarHBondContact O-N 3.06Å; V651-Y654 WeakPolarHBondContact O-CB 3.4Å; V651-Y654 PolarHBondContact O-N 3.45Å; V651-E655 HydrophobicContact CG1-CG 4.23Å; V651-E655 WeakPolarHBondContact O-CB 3.3Å; V651-E655 WeakPolarHBondContact O-CG 3.3Å; V651-E655 PolarHBondContact O-N 3.25Å; V651-I686 HydrophobicContact CG1-CD1 4.3Å; V651-I686 HydrophobicContact CG2-CD1 3.97Å; V651-I686 HydrophobicContact CG2-CG2 4.29Å
652	L	74.2	Confident	79	Confident	10 Å²	10	41.5 Å²	41.5	5%	0.052	21%	0.207	C	C	.	.	H	α-helix	trans	-59.9	-43.5	175.2	174	56.3	0	0	0	112.4	P595 I596 L633 D648 Y654 E655 F656	P595-L652 WeakPolarHBondContact O-CD1 3.42Å; I596-L652 HydrophobicContact CG1-CB 4.36Å; L633-L652 HydrophobicContact CD2-CD2 4.03Å; L633-L652 HydrophobicContact CD2-CG 4.41Å; D648-L652 WeakPolarHBondContact O-CB 3.47Å; D648-L652 PolarHBondContact O-N 3.39Å; L652-Y654 VanDerWaalsContact C-N 3.35Å; L652-E655 PolarHBondContact O-N 2.91Å; L652-F656 WeakPolarHBondContact O-CB 3.32Å; L652-F656 PolarHBondContact O-N 2.84Å; L652-F656 VanDerWaalsContact O-N 3.14Å
653	L	78.5	Confident	79.7	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-40.5	173.5	-83.2	171.4	0	0	0	112.7	L633 L637 L649 L650 V651 L661 V665 V690	L633-L653 HydrophobicContact CD1-CD2 3.97Å; L633-L653 HydrophobicContact CD1-CG 4.49Å; L633-L653 HydrophobicContact CD2-CG 4.31Å; L637-L653 HydrophobicContact CD1-CD1 3.7Å; L649-L653 WeakPolarHBondContact O-CG 3.11Å; L649-L653 PolarHBondContact O-N 3.46Å; L650-L653 HydrophobicContact CD2-CD1 4.36Å; L650-L653 PolarHBondContact O-N 3.05Å; V651-L653 PolarHBondContact O-N 3.06Å; L653-L661 HydrophobicContact CD2-CD2 3.72Å; L653-V665 HydrophobicContact CD1-CG1 3.93Å; L653-V665 HydrophobicContact CD2-CB 4.02Å; L653-V665 HydrophobicContact CD2-CG1 4.06Å; L653-V665 HydrophobicContact CD2-CG2 4.09Å; L653-V690 HydrophobicContact CB-CG2 4.33Å
654	Y	80.5	Confident	80.4	Confident	12 Å²	12	43.3 Å²	43.3	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-65.3	-50.5	175.9	171.9	-93	0	0	0	111.5	R349 T350 L650 V651 L652 F656 Q657 F685 I686	R349-Y654 WeakPolarHBondContact O-CE1 3.46Å; R349-Y654 PolarHBondContact O-OH 3.36Å; T350-Y654 HydrophobicContact CG2-CD1 4.45Å; T350-Y654 HydrophobicContact CG2-CE1 3.96Å; L650-Y654 WeakPolarHBondContact O-CB 3.48Å; L650-Y654 PolarHBondContact O-N 2.88Å; V651-Y654 WeakPolarHBondContact O-CB 3.4Å; V651-Y654 PolarHBondContact O-N 3.45Å; L652-Y654 VanDerWaalsContact C-N 3.35Å; Y654-F656 PolarHBondContact O-N 2.92Å; Y654-Q657 VanDerWaalsContact O-CG 3.22Å; Y654-Q657 WeakPolarHBondContact O-CG 3.39Å; Y654-Q657 PolarHBondContact O-N 2.96Å; Y654-Q657 PolarHBondContact O-NE2 3.25Å; Y654-F685 HydrophobicContact CE2-CD1 4.33Å; Y654-F685 AromaticContact CE2-CE1 3.94Å; Y654-F685 HydrophobicContact CE2-CE1 3.94Å; Y654-I686 HydrophobicContact CD1-CD1 4.07Å; Y654-I686 HydrophobicContact CD1-CG1 3.81Å; Y654-I686 HydrophobicContact CD2-CG1 4.1Å; Y654-I686 HydrophobicContact CE1-CG1 4.18Å; Y654-I686 HydrophobicContact CE2-CG1 4.44Å; Y654-I686 HydrophobicContact CG-CB 4.37Å; Y654-I686 HydrophobicContact CG-CD1 4.42Å; Y654-I686 HydrophobicContact CG-CG1 3.79Å; Y654-I686 HydrophobicContact CG-CG2 4.23Å
655	E	75.7	Confident	81.2	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.019	19%	0.192	C	C	.	.	H	α-helix	trans	-59.6	-34.4	-178.2	-75.4	-75.9	118.8	0	0	112.3	T350 L351 T352 I596 G600 V651 L652 Q657	T350-E655 WeakPolarHBondContact CA-OE1 3.24Å; T350-E655 WeakPolarHBondContact CB-OE1 3.41Å; T350-E655 WeakPolarHBondContact CG2-OE1 3.34Å; L351-E655 PolarHBondContact N-OE1 3.46Å; L351-E655 PolarHBondContact N-OE2 3.14Å; T352-E655 VanDerWaalsContact CB-OE2 3.26Å; T352-E655 WeakPolarHBondContact CB-OE2 3.44Å; T352-E655 PolarHBondContact N-OE2 3.39Å; T352-E655 PolarHBondContact OG1-OE2 2.76Å; I596-E655 HydrophobicContact CG2-CG 4.05Å; G600-E655 WeakPolarHBondContact CA-O 3.28Å; V651-E655 HydrophobicContact CG1-CG 4.23Å; V651-E655 WeakPolarHBondContact O-CB 3.3Å; V651-E655 WeakPolarHBondContact O-CG 3.3Å; V651-E655 PolarHBondContact O-N 3.25Å; L652-E655 PolarHBondContact O-N 2.91Å; E655-Q657 PolarHBondContact O-N 3.23Å
656	F	77.3	Confident	81.9	Confident	10 Å²	10	34.5 Å²	34.5	4%	0.044	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.6	176.3	-167.7	-104.2	0	0	0	114.1	G599 L602 T626 L652 Y654 N658 L661	G599-F656 WeakPolarHBondContact O-CD2 3.45Å; L602-F656 HydrophobicContact CB-CD2 4.22Å; L602-F656 HydrophobicContact CB-CE2 3.7Å; L602-F656 HydrophobicContact CD1-CD2 4.29Å; L602-F656 HydrophobicContact CD1-CE2 3.68Å; L602-F656 HydrophobicContact CG-CE2 4.32Å; T626-F656 HydrophobicContact CG2-CE1 4.27Å; T626-F656 HydrophobicContact CG2-CZ 3.69Å; L652-F656 WeakPolarHBondContact O-CB 3.32Å; L652-F656 PolarHBondContact O-N 2.84Å; L652-F656 VanDerWaalsContact O-N 3.14Å; Y654-F656 PolarHBondContact O-N 2.92Å; F656-N658 VanDerWaalsContact C-N 3.26Å; F656-N658 HydrophobicContact CD1-CB 3.47Å; F656-N658 VanDerWaalsContact CD1-CB 3.47Å; F656-N658 HydrophobicContact CE1-CB 3.39Å; F656-N658 HydrophobicContact CZ-CB 4.47Å; F656-N658 PolarHBondContact O-N 2.87Å; F656-L661 HydrophobicContact CD1-CB 4.26Å; F656-L661 HydrophobicContact CD1-CD1 4.18Å; F656-L661 HydrophobicContact CD1-CD2 3.89Å; F656-L661 HydrophobicContact CD1-CG 4.34Å; F656-L661 HydrophobicContact CE1-CB 3.91Å; F656-L661 HydrophobicContact CE1-CD1 3.59Å; F656-L661 HydrophobicContact CE1-CD2 4.14Å; F656-L661 HydrophobicContact CE1-CG 4.09Å; F656-L661 HydrophobicContact CZ-CD1 4.12Å
657	Q	79.8	Confident	82.3	Confident	70 Å²	70	37.9 Å²	37.9	33%	0.327	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	41.4	170.3	-69.5	-72.9	-60.1	0	0	114.8	T350 Q603 Y654 E655	T350-Q657 HydrophobicContact CG2-CG 3.46Å; T350-Q657 VanDerWaalsContact CG2-CG 3.46Å; Q603-Q657 HydrophobicContact CG-CB 3.8Å; Q603-Q657 HydrophobicContact CG-CG 4.37Å; Y654-Q657 VanDerWaalsContact O-CG 3.22Å; Y654-Q657 WeakPolarHBondContact O-CG 3.39Å; Y654-Q657 PolarHBondContact O-N 2.96Å; Y654-Q657 PolarHBondContact O-NE2 3.25Å; E655-Q657 PolarHBondContact O-N 3.23Å
658	N	84.1	Confident	82.6	Confident	57 Å²	57	39.2 Å²	39.2	31%	0.305	20%	0.204	S	C	.	.			trans	-127.9	90.6	-178.7	-174.5	-21	0	0	0	110.6	F656 R660 L661 T662	F656-N658 VanDerWaalsContact C-N 3.26Å; F656-N658 HydrophobicContact CD1-CB 3.47Å; F656-N658 VanDerWaalsContact CD1-CB 3.47Å; F656-N658 HydrophobicContact CE1-CB 3.39Å; F656-N658 HydrophobicContact CZ-CB 4.47Å; F656-N658 PolarHBondContact O-N 2.87Å; N658-R660 PolarHBondContact O-N 3.43Å; N658-R660 PolarHBondContact OD1-N 3.2Å; N658-L661 HydrophobicContact CB-CB 4.34Å; N658-L661 PolarHBondContact O-N 2.65Å; N658-T662 PolarHBondContact O-N 2.99Å; N658-T662 PolarHBondContact O-OG1 3.36Å; N658-T662 VanDerWaalsContact O-OG1 3.13Å
659	P	86.5	Confident	83.3	Confident	75 Å²	75	36.4 Å²	36.4	49%	0.487	19%	0.189	S	C	.	.	H	α-helix	trans	-53.9	-29.7	-174.3	-30	36.2	0	0	0	114.7	T662 V663 C693	P659-T662 PolarHBondContact O-N 3.46Å; P659-V663 WeakPolarHBondContact O-CB 3.29Å; P659-V663 VanDerWaalsContact O-CG2 3.26Å; P659-V663 WeakPolarHBondContact O-CG2 3.38Å; P659-V663 PolarHBondContact O-N 3.41Å; P659-C693 HydrophobicContact CB-CB 4.34Å
660	R	86.6	Confident	83.9	Confident	206 Å²	206	42.2 Å²	42.2	78%	0.777	21%	0.213	S	C	*	.	H	α-helix	trans	-67.2	-45.7	177.1	-63.6	-176.8	-177.7	176	1.1	111.9	N658 T662 E664	N658-R660 PolarHBondContact O-N 3.43Å; N658-R660 PolarHBondContact OD1-N 3.2Å; R660-T662 VanDerWaalsContact C-N 3.35Å; R660-E664 WeakPolarHBondContact O-CG 3.29Å; R660-E664 PolarHBondContact O-N 3.17Å
661	L	85.5	Confident	84.4	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-39.6	174.1	-179.1	145	0	0	0	110.7	T626 R630 L633 L653 F656 N658 V663 E664 V665	T626-L661 HydrophobicContact CG2-CD1 3.87Å; R630-L661 HydrophobicContact CB-CD1 3.7Å; R630-L661 HydrophobicContact CB-CG 4.43Å; R630-L661 HydrophobicContact CG-CD1 4.07Å; R630-L661 HydrophobicContact CG-CG 4.3Å; L633-L661 HydrophobicContact CD1-CD2 4.23Å; L653-L661 HydrophobicContact CD2-CD2 3.72Å; F656-L661 HydrophobicContact CD1-CB 4.26Å; F656-L661 HydrophobicContact CD1-CD1 4.18Å; F656-L661 HydrophobicContact CD1-CD2 3.89Å; F656-L661 HydrophobicContact CD1-CG 4.34Å; F656-L661 HydrophobicContact CE1-CB 3.91Å; F656-L661 HydrophobicContact CE1-CD1 3.59Å; F656-L661 HydrophobicContact CE1-CD2 4.14Å; F656-L661 HydrophobicContact CE1-CG 4.09Å; F656-L661 HydrophobicContact CZ-CD1 4.12Å; N658-L661 HydrophobicContact CB-CB 4.34Å; N658-L661 PolarHBondContact O-N 2.65Å; L661-V663 PolarHBondContact O-N 2.95Å; L661-E664 PolarHBondContact O-N 2.85Å; L661-V665 HydrophobicContact CD2-CG2 3.83Å; L661-V665 HydrophobicContact CG-CG2 4.22Å; L661-V665 WeakPolarHBondContact O-CG2 3.49Å; L661-V665 PolarHBondContact O-N 2.71Å
662	T	89.3	Confident	85.4	Confident	4 Å²	4	43.5 Å²	43.5	3%	0.025	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-45.1	177.4	-49.8	0	0	0	0	111.3	N658 P659 R660 V665 L666 V690 C693	N658-T662 PolarHBondContact O-N 2.99Å; N658-T662 PolarHBondContact O-OG1 3.36Å; N658-T662 VanDerWaalsContact O-OG1 3.13Å; P659-T662 PolarHBondContact O-N 3.46Å; R660-T662 VanDerWaalsContact C-N 3.35Å; T662-V665 PolarHBondContact O-N 3.27Å; T662-L666 HydrophobicContact CG2-CD1 4.04Å; T662-L666 HydrophobicContact CG2-CG 4.29Å; T662-L666 VanDerWaalsContact O-CB 3.3Å; T662-L666 WeakPolarHBondContact O-CB 3.46Å; T662-L666 VanDerWaalsContact O-CG 3.25Å; T662-L666 WeakPolarHBondContact O-CG 3.44Å; T662-L666 PolarHBondContact O-N 2.91Å; T662-V690 HydrophobicContact CG2-CG1 3.9Å; T662-C693 HydrophobicContact CG2-CB 3.93Å
663	V	90.2	Very high	86.1	Confident	55 Å²	55	45.6 Å²	45.6	33%	0.333	24%	0.238	S	C	.	.	H	α-helix	trans	-61.6	-47.3	173.7	170.1	0	0	0	0	112.1	P659 L661 V665 L666 S667 C693	P659-V663 WeakPolarHBondContact O-CB 3.29Å; P659-V663 VanDerWaalsContact O-CG2 3.26Å; P659-V663 WeakPolarHBondContact O-CG2 3.38Å; P659-V663 PolarHBondContact O-N 3.41Å; L661-V663 PolarHBondContact O-N 2.95Å; V663-V665 VanDerWaalsContact C-N 3.31Å; V663-V665 PolarHBondContact O-N 2.92Å; V663-L666 PolarHBondContact O-N 3.03Å; V663-S667 WeakPolarHBondContact O-CB 3.47Å; V663-S667 PolarHBondContact O-N 3.31Å; V663-C693 HydrophobicContact CG2-CB 4.47Å; V663-C693 WeakPolarHBondContact CG2-O 3.45Å
664	E	87.9	Confident	86.5	Confident	86 Å²	86	45.5 Å²	45.5	40%	0.402	24%	0.237	S	C	.	.	H	α-helix	trans	-58.3	-42.5	177.9	-75.2	176.6	-169.1	0	0	111.7	R630 R660 L661 S667	R630-E664 WeakPolarHBondContact CD-OE2 3.37Å; R630-E664 IonicContact CZ-OE2 3.22Å; R630-E664 IonicContact NE-OE2 2.72Å; R630-E664 IonicContact NH1-OE1 3.72Å; R630-E664 IonicContact NH1-OE2 3.41Å; R630-E664 PolarHBondContact NH1-OE2 3.36Å; R660-E664 WeakPolarHBondContact O-CG 3.29Å; R660-E664 PolarHBondContact O-N 3.17Å; L661-E664 PolarHBondContact O-N 2.85Å; E664-S667 PolarHBondContact O-OG 3.32Å
665	V	86.8	Confident	86.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-71.8	-48.3	178.4	176.3	0	0	0	0	111.6	R630 L633 V634 L637 L653 L661 T662 V663 S667 S668	R630-V665 HydrophobicContact CG-CG2 4.36Å; L633-V665 HydrophobicContact CB-CG1 4.11Å; L633-V665 HydrophobicContact CB-CG2 4.02Å; V634-V665 HydrophobicContact CG2-CB 4.49Å; V634-V665 HydrophobicContact CG2-CG2 4.01Å; L637-V665 HydrophobicContact CD1-CG1 3.47Å; L637-V665 VanDerWaalsContact CD1-CG1 3.47Å; L653-V665 HydrophobicContact CD1-CG1 3.93Å; L653-V665 HydrophobicContact CD2-CB 4.02Å; L653-V665 HydrophobicContact CD2-CG1 4.06Å; L653-V665 HydrophobicContact CD2-CG2 4.09Å; L661-V665 HydrophobicContact CD2-CG2 3.83Å; L661-V665 HydrophobicContact CG-CG2 4.22Å; L661-V665 WeakPolarHBondContact O-CG2 3.49Å; L661-V665 PolarHBondContact O-N 2.71Å; T662-V665 PolarHBondContact O-N 3.27Å; V663-V665 VanDerWaalsContact C-N 3.31Å; V663-V665 PolarHBondContact O-N 2.92Å; V665-S667 PolarHBondContact O-N 3.41Å; V665-S668 PolarHBondContact O-N 3.41Å; V665-S668 PolarHBondContact O-OG 3.5Å
666	L	90.3	Very high	85.8	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-56	-36.7	178.3	-76.3	179.5	0	0	0	111.9	T662 V663 S668 I669 V690 L691 A694 Y698	T662-L666 HydrophobicContact CG2-CD1 4.04Å; T662-L666 HydrophobicContact CG2-CG 4.29Å; T662-L666 VanDerWaalsContact O-CB 3.3Å; T662-L666 WeakPolarHBondContact O-CB 3.46Å; T662-L666 VanDerWaalsContact O-CG 3.25Å; T662-L666 WeakPolarHBondContact O-CG 3.44Å; T662-L666 PolarHBondContact O-N 2.91Å; V663-L666 PolarHBondContact O-N 3.03Å; L666-S668 PolarHBondContact O-N 2.9Å; L666-I669 HydrophobicContact CD2-CD1 3.97Å; L666-I669 WeakPolarHBondContact O-CB 3.42Å; L666-I669 PolarHBondContact O-N 2.85Å; L666-V690 HydrophobicContact CD1-CG1 4.22Å; L666-V690 WeakPolarHBondContact CD1-O 3.35Å; L666-V690 HydrophobicContact CD2-CG1 4.03Å; L666-V690 HydrophobicContact CG-CG1 4.41Å; L666-L691 HydrophobicContact CD1-CD2 4.36Å; L666-L691 HydrophobicContact CD2-CD2 4.12Å; L666-A694 HydrophobicContact CD1-CB 4.08Å; L666-Y698 HydrophobicContact CB-CE1 4.47Å; L666-Y698 HydrophobicContact CB-CE2 4.37Å; L666-Y698 WeakPolarHBondContact O-CE2 3.46Å; L666-Y698 PolarHBondContact O-OH 3.12Å
667	S	88.7	Confident	85.6	Confident	86 Å²	86	51.5 Å²	51.5	60%	0.601	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.8	177.6	78.5	0	0	0	0	115.1	V663 E664 V665	V663-S667 WeakPolarHBondContact O-CB 3.47Å; V663-S667 PolarHBondContact O-N 3.31Å; E664-S667 PolarHBondContact O-OG 3.32Å; V665-S667 PolarHBondContact O-N 3.41Å
668	S	87	Confident	85.3	Confident	29 Å²	29	52.3 Å²	52.3	20%	0.203	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-16	174.7	70.5	0	0	0	0	114.5	V665 L666	V665-S668 PolarHBondContact O-N 3.41Å; V665-S668 PolarHBondContact O-OG 3.5Å; L666-S668 PolarHBondContact O-N 2.9Å
669	I	89.6	Confident	84.7	Confident	7 Å²	7	49.8 Å²	49.8	4%	0.036	26%	0.258	C	S	.	.			trans	-85.6	143.7	-178.6	-51.1	-172.7	0	0	0	109.7	L637 L666 S671 I672 L700	L637-I669 HydrophobicContact CB-CD1 3.89Å; L637-I669 HydrophobicContact CB-CG1 4.02Å; L637-I669 HydrophobicContact CD1-CD1 4.23Å; L637-I669 HydrophobicContact CD2-CD1 4.23Å; L637-I669 HydrophobicContact CG-CD1 4.35Å; L666-I669 HydrophobicContact CD2-CD1 3.97Å; L666-I669 WeakPolarHBondContact O-CB 3.42Å; L666-I669 PolarHBondContact O-N 2.85Å; I669-S671 WeakPolarHBondContact CG2-O 3.49Å; I669-I672 HydrophobicContact CG2-CG1 3.95Å; I669-L700 HydrophobicContact CG2-CD2 3.97Å
670	K	89.4	Confident	83.8	Confident	144 Å²	144	48 Å²	48	63%	0.626	25%	0.246	S	C	*	.			trans	-125.8	-26	178.8	-68	176.1	-176.6	169.3	0	113.9	K701	K670-K701 WeakPolarHBondContact O-CB 3.27Å; K670-K701 PolarHBondContact O-N 3.13Å
671	S	91.6	Very high	82.9	Confident	51 Å²	51	41 Å²	41	36%	0.357	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	147.6	172.8	-59.7	0	0	0	0	108.9	I669 E702	I669-S671 WeakPolarHBondContact CG2-O 3.49Å; S671-E702 CarbonylContact C-O 3.56Å; S671-E702 VanDerWaalsContact CA-O 3.25Å; S671-E702 WeakPolarHBondContact CA-O 3.32Å
672	I	93.9	Very high	81.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.5	168.6	-68.4	178.5	0	0	0	107	L646 L650 I669 L674 L687 L691 L700 E702 L703 D704	L646-I672 HydrophobicContact CD2-CG2 4.18Å; L650-I672 HydrophobicContact CD1-CG2 4.39Å; I669-I672 HydrophobicContact CG2-CG1 3.95Å; I672-L674 HydrophobicContact CG2-CD1 4.13Å; I672-L674 HydrophobicContact CG2-CD2 4.46Å; I672-L674 HydrophobicContact CG2-CG 3.91Å; I672-L687 HydrophobicContact CD1-CD1 4.22Å; I672-L691 HydrophobicContact CD1-CD1 4.38Å; I672-L691 HydrophobicContact CD1-CD2 4.22Å; I672-L700 HydrophobicContact CB-CD1 4.4Å; I672-L700 HydrophobicContact CD1-CD1 3.92Å; I672-L700 HydrophobicContact CD1-CD2 4.24Å; I672-L700 HydrophobicContact CG1-CD1 4.13Å; I672-L700 HydrophobicContact CG1-CD2 3.97Å; I672-E702 PolarHBondContact N-O 3.1Å; I672-L703 HydrophobicContact CB-CD1 3.91Å; I672-L703 HydrophobicContact CG2-CD1 3.83Å; I672-L703 WeakPolarHBondContact O-CA 3.34Å; I672-D704 PolarHBondContact O-N 2.92Å
673	C	89.3	Confident	81	Confident	53 Å²	53	47.6 Å²	47.6	36%	0.358	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	105.2	-177.6	177	0	0	0	0	109.4	T675 D704	C673-T675 PolarHBondContact SG-OG1 3.48Å; C673-D704 HydrophobicContact CB-CB 4.4Å
674	L	86.4	Confident	80.3	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.			trans	-112.1	26	-178.6	-58.8	178	0	0	0	111.3	P643 L646 M647 I672 N676 V677 M679 L687 D704 L705 C708	P643-L674 VanDerWaalsContact O-CD2 3.29Å; P643-L674 WeakPolarHBondContact O-CD2 3.37Å; L646-L674 HydrophobicContact CB-CD2 4.13Å; L646-L674 HydrophobicContact CD2-CD2 3.98Å; L646-L674 HydrophobicContact CG-CD2 3.93Å; M647-L674 HydrophobicContact CB-CD2 4.14Å; M647-L674 HydrophobicContact SD-CD1 4Å; I672-L674 HydrophobicContact CG2-CD1 4.13Å; I672-L674 HydrophobicContact CG2-CD2 4.46Å; I672-L674 HydrophobicContact CG2-CG 3.91Å; L674-N676 PolarHBondContact O-N 3.07Å; L674-V677 HydrophobicContact CB-CB 4.26Å; L674-V677 HydrophobicContact CB-CG2 4.08Å; L674-V677 WeakPolarHBondContact O-CB 3.4Å; L674-V677 WeakPolarHBondContact O-CG2 3.07Å; L674-V677 PolarHBondContact O-N 3.26Å; L674-M679 HydrophobicContact CD1-CE 4.4Å; L674-M679 HydrophobicContact CD1-SD 4.31Å; L674-L687 HydrophobicContact CD1-CD2 4.08Å; L674-D704 PolarHBondContact N-O 3.19Å; L674-L705 HydrophobicContact CB-CD2 4Å; L674-L705 HydrophobicContact CD1-CD2 3.83Å; L674-L705 HydrophobicContact CG-CD2 4.26Å; L674-C708 PolarHBondContact O-SG 2.87Å
675	T	76.5	Confident	79.7	Confident	32 Å²	32	44.7 Å²	44.7	20%	0.196	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	132.5	-175.5	-49.1	0	0	0	0	112.4	C673 V677 D704 S706	C673-T675 PolarHBondContact SG-OG1 3.48Å; T675-V677 PolarHBondContact O-N 3.36Å; T675-D704 VanDerWaalsContact OG1-CG 3.24Å; T675-D704 PolarHBondContact OG1-OD1 3.38Å; T675-D704 PolarHBondContact OG1-OD2 2.88Å; T675-S706 WeakPolarHBondContact CA-O 3.3Å; T675-S706 WeakPolarHBondContact CG2-OG 3.37Å
676	N	65.6	Low	79.3	Confident	118 Å²	118	44.9 Å²	44.9	63%	0.631	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	4.1	-174	-49	-57	0	0	0	116.4	L674 R678 S706 S707	L674-N676 PolarHBondContact O-N 3.07Å; N676-R678 PolarHBondContact O-N 2.96Å; N676-S706 PolarHBondContact N-O 3.39Å; N676-S707 WeakPolarHBondContact OD1-CB 3.29Å; N676-S707 PolarHBondContact OD1-OG 2.87Å
677	V	72.8	Confident	79.1	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.244	C	C	.	.			trans	-69.1	125.7	172.4	172.4	0	0	0	0	108.7	P643 E644 L674 T675 M679 K683 C708	P643-V677 HydrophobicContact CB-CG2 3.48Å; P643-V677 VanDerWaalsContact CB-CG2 3.48Å; E644-V677 HydrophobicContact CG-CG2 4.17Å; E644-V677 WeakPolarHBondContact OE2-CG1 3.26Å; L674-V677 HydrophobicContact CB-CB 4.26Å; L674-V677 HydrophobicContact CB-CG2 4.08Å; L674-V677 WeakPolarHBondContact O-CB 3.4Å; L674-V677 WeakPolarHBondContact O-CG2 3.07Å; L674-V677 PolarHBondContact O-N 3.26Å; T675-V677 PolarHBondContact O-N 3.36Å; V677-M679 HydrophobicContact CG1-SD 4Å; V677-M679 PolarHBondContact O-N 3.44Å; V677-K683 HydrophobicContact CG1-CD 4.02Å; V677-C708 WeakPolarHBondContact O-CA 3.48Å; V677-C708 PolarHBondContact O-SG 3.09Å
678	R	72.6	Confident	79	Confident	88 Å²	88	41.2 Å²	41.2	33%	0.332	22%	0.219	S	C	.	.			trans	-64.1	103.7	169.9	178.7	179.7	177.8	80.9	3.5	108.2	E316 N676 K683 L709	E316-R678 IonicContact OE1-CZ 3.63Å; E316-R678 IonicContact OE1-NH2 3.43Å; E316-R678 PolarHBondContact OE1-NH2 3.27Å; N676-R678 PolarHBondContact O-N 2.96Å; R678-K683 WeakPolarHBondContact O-CD 3.26Å; R678-L709 HydrophobicContact CG-CD1 4.47Å
679	M	71.4	Confident	78.9	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.02	22%	0.218	C	C	.	.			trans	-80.7	135.7	175.9	-69.1	-64.8	-79.5	0	0	109.6	M647 L674 V677 K683 L687 C708 L710	M647-M679 HydrophobicContact SD-SD 4.27Å; L674-M679 HydrophobicContact CD1-CE 4.4Å; L674-M679 HydrophobicContact CD1-SD 4.31Å; V677-M679 HydrophobicContact CG1-SD 4Å; V677-M679 PolarHBondContact O-N 3.44Å; M679-K683 HydrophobicContact CE-CB 3.87Å; M679-K683 HydrophobicContact SD-CB 3.75Å; M679-K683 HydrophobicContact SD-CD 4.07Å; M679-L687 HydrophobicContact CE-CD2 4.15Å; M679-C708 HydrophobicContact CB-CB 4.17Å; M679-C708 HydrophobicContact CG-CB 3.61Å; M679-C708 PolarHBondContact N-O 3.35Å; M679-L710 HydrophobicContact CB-CD2 3.71Å; M679-L710 HydrophobicContact CG-CD2 4.15Å
680	T	69.5	Low	78.9	Confident	37 Å²	37	40.9 Å²	40.9	23%	0.227	22%	0.217	C	C	.	.			trans	-117.2	164	174.2	61.4	0	0	0	0	108.5	L682 K683 C684	T680-L682 PolarHBondContact O-N 2.94Å; T680-K683 PolarHBondContact O-N 3.35Å; T680-K683 PolarHBondContact OG1-N 3.19Å; T680-C684 PolarHBondContact O-N 3.11Å; T680-C684 PolarHBondContact O-SG 2.75Å; T680-C684 VanDerWaalsContact O-SG 3.34Å
681	S	65.8	Low	79	Confident	59 Å²	59	34 Å²	34	41%	0.413	19%	0.187	S	C	.	.	H	α-helix	trans	-50.5	-35.6	174.1	-54.9	0	0	0	0	112.6	F685	S681-F685 VanDerWaalsContact O-CB 3.29Å; S681-F685 WeakPolarHBondContact O-CB 3.47Å; S681-F685 PolarHBondContact O-N 3.19Å
682	L	63.9	Low	78.8	Confident	109 Å²	109	35 Å²	35	57%	0.571	19%	0.194	S	C	*	.	H	α-helix	trans	-69.3	-49.3	174.7	-177.8	60.6	0	0	0	112.7	T680 C684 F685 I686	T680-L682 PolarHBondContact O-N 2.94Å; L682-C684 VanDerWaalsContact C-N 3.27Å; L682-C684 PolarHBondContact O-N 2.71Å; L682-F685 PolarHBondContact O-N 2.59Å; L682-I686 HydrophobicContact CD1-CD1 3.91Å; L682-I686 HydrophobicContact CD1-CG1 4.13Å; L682-I686 HydrophobicContact CG-CD1 3.89Å; L682-I686 HydrophobicContact CG-CG1 4.46Å; L682-I686 WeakPolarHBondContact O-CB 3.3Å; L682-I686 VanDerWaalsContact O-CG1 3.28Å; L682-I686 WeakPolarHBondContact O-CG1 3.42Å; L682-I686 PolarHBondContact O-N 2.78Å
683	K	71.9	Confident	78.5	Confident	39 Å²	39	36.9 Å²	36.9	17%	0.17	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-40	176.1	-74.2	-174.8	171.7	-174.6	0	111.3	E644 M647 V677 R678 M679 T680 I686 L687	E644-K683 IonicContact OE1-NZ 3.12Å; E644-K683 IonicContact OE2-NZ 2.72Å; E644-K683 PolarHBondContact OE2-NZ 2.76Å; M647-K683 HydrophobicContact CE-CB 4.04Å; M647-K683 HydrophobicContact CE-CG 4.07Å; M647-K683 HydrophobicContact CG-CD 3.74Å; M647-K683 HydrophobicContact CG-CG 4.04Å; M647-K683 HydrophobicContact SD-CB 3.98Å; M647-K683 HydrophobicContact SD-CD 4.07Å; M647-K683 HydrophobicContact SD-CG 4Å; V677-K683 HydrophobicContact CG1-CD 4.02Å; R678-K683 WeakPolarHBondContact O-CD 3.26Å; M679-K683 HydrophobicContact CE-CB 3.87Å; M679-K683 HydrophobicContact SD-CB 3.75Å; M679-K683 HydrophobicContact SD-CD 4.07Å; T680-K683 PolarHBondContact O-N 3.35Å; T680-K683 PolarHBondContact OG1-N 3.19Å; K683-I686 PolarHBondContact O-N 3.36Å; K683-L687 WeakPolarHBondContact O-CB 3.44Å; K683-L687 PolarHBondContact O-N 2.88Å
684	C	74.7	Confident	78.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-48.2	175	-66.9	0	0	0	0	112.6	T680 L682 I686 L687 S688 M717 L718	T680-C684 PolarHBondContact O-N 3.11Å; T680-C684 PolarHBondContact O-SG 2.75Å; T680-C684 VanDerWaalsContact O-SG 3.34Å; L682-C684 VanDerWaalsContact C-N 3.27Å; L682-C684 PolarHBondContact O-N 2.71Å; C684-I686 VanDerWaalsContact C-N 3.34Å; C684-I686 PolarHBondContact O-N 2.76Å; C684-L687 PolarHBondContact O-N 3.46Å; C684-S688 VanDerWaalsContact O-CB 3.28Å; C684-S688 WeakPolarHBondContact O-CB 3.37Å; C684-S688 PolarHBondContact O-N 2.84Å; C684-M717 HydrophobicContact CB-CB 4.42Å; C684-M717 HydrophobicContact CB-CE 4.46Å; C684-L718 HydrophobicContact CB-CD1 4.41Å; C684-L718 HydrophobicContact CB-CD2 4.09Å; C684-L718 HydrophobicContact CB-CG 3.99Å
685	F	76.9	Confident	78.4	Confident	80 Å²	80	37.8 Å²	37.8	35%	0.351	21%	0.214	S	C	.	.	H	α-helix	trans	-62.8	-38.6	176.8	179.8	-95.5	0	0	0	112.5	Y654 S681 L682 S689	Y654-F685 HydrophobicContact CE2-CD1 4.33Å; Y654-F685 AromaticContact CE2-CE1 3.94Å; Y654-F685 HydrophobicContact CE2-CE1 3.94Å; S681-F685 VanDerWaalsContact O-CB 3.29Å; S681-F685 WeakPolarHBondContact O-CB 3.47Å; S681-F685 PolarHBondContact O-N 3.19Å; L682-F685 PolarHBondContact O-N 2.59Å; F685-S689 WeakPolarHBondContact CE1-OG 3.28Å; F685-S689 WeakPolarHBondContact O-CB 3.43Å; F685-S689 PolarHBondContact O-N 3.37Å; F685-S689 PolarHBondContact O-OG 2.62Å
686	I	77.4	Confident	78.8	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-52.5	175.9	-77.1	177	0	0	0	110.8	M647 V651 Y654 L682 K683 C684 S688 S689 V690	M647-I686 HydrophobicContact CE-CB 4.25Å; M647-I686 HydrophobicContact CE-CG2 3.62Å; V651-I686 HydrophobicContact CG1-CD1 4.3Å; V651-I686 HydrophobicContact CG2-CD1 3.97Å; V651-I686 HydrophobicContact CG2-CG2 4.29Å; Y654-I686 HydrophobicContact CD1-CD1 4.07Å; Y654-I686 HydrophobicContact CD1-CG1 3.81Å; Y654-I686 HydrophobicContact CD2-CG1 4.1Å; Y654-I686 HydrophobicContact CE1-CG1 4.18Å; Y654-I686 HydrophobicContact CE2-CG1 4.44Å; Y654-I686 HydrophobicContact CG-CB 4.37Å; Y654-I686 HydrophobicContact CG-CD1 4.42Å; Y654-I686 HydrophobicContact CG-CG1 3.79Å; Y654-I686 HydrophobicContact CG-CG2 4.23Å; L682-I686 HydrophobicContact CD1-CD1 3.91Å; L682-I686 HydrophobicContact CD1-CG1 4.13Å; L682-I686 HydrophobicContact CG-CD1 3.89Å; L682-I686 HydrophobicContact CG-CG1 4.46Å; L682-I686 WeakPolarHBondContact O-CB 3.3Å; L682-I686 VanDerWaalsContact O-CG1 3.28Å; L682-I686 WeakPolarHBondContact O-CG1 3.42Å; L682-I686 PolarHBondContact O-N 2.78Å; K683-I686 PolarHBondContact O-N 3.36Å; C684-I686 VanDerWaalsContact C-N 3.34Å; C684-I686 PolarHBondContact O-N 2.76Å; I686-S688 VanDerWaalsContact C-N 3.32Å; I686-S688 PolarHBondContact O-N 3.35Å; I686-S689 PolarHBondContact O-N 3.37Å; I686-V690 WeakPolarHBondContact O-CB 3.45Å; I686-V690 WeakPolarHBondContact O-CG2 3.45Å; I686-V690 PolarHBondContact O-N 3.08Å
687	L	87.1	Confident	79.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.4	-44.3	178.2	175.6	59.4	0	0	0	111.8	L650 I672 L674 M679 K683 C684 L691 L703 L705 L718	L650-L687 HydrophobicContact CD1-CD1 4.19Å; I672-L687 HydrophobicContact CD1-CD1 4.22Å; L674-L687 HydrophobicContact CD1-CD2 4.08Å; M679-L687 HydrophobicContact CE-CD2 4.15Å; K683-L687 WeakPolarHBondContact O-CB 3.44Å; K683-L687 PolarHBondContact O-N 2.88Å; C684-L687 PolarHBondContact O-N 3.46Å; L687-L691 HydrophobicContact CD1-CD1 3.62Å; L687-L691 HydrophobicContact CD1-CG 4.26Å; L687-L691 HydrophobicContact CG-CD1 4.17Å; L687-L691 WeakPolarHBondContact O-CB 3.47Å; L687-L691 PolarHBondContact O-N 3.24Å; L687-L703 HydrophobicContact CD2-CD1 4.36Å; L687-L705 HydrophobicContact CD2-CD1 4.33Å; L687-L705 HydrophobicContact CD2-CD2 3.89Å; L687-L718 HydrophobicContact CB-CD2 4.28Å; L687-L718 HydrophobicContact CD2-CD2 3.78Å; L687-L718 HydrophobicContact CG-CD2 4.16Å
688	S	85.6	Confident	80.6	Confident	10 Å²	10	40.9 Å²	40.9	7%	0.07	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-46.3	176.3	-165.8	0	0	0	0	112.3	C684 I686 L691 S692 M717 P720	C684-S688 VanDerWaalsContact O-CB 3.28Å; C684-S688 WeakPolarHBondContact O-CB 3.37Å; C684-S688 PolarHBondContact O-N 2.84Å; I686-S688 VanDerWaalsContact C-N 3.32Å; I686-S688 PolarHBondContact O-N 3.35Å; S688-L691 PolarHBondContact O-N 3.26Å; S688-S692 VanDerWaalsContact O-CB 3.23Å; S688-S692 WeakPolarHBondContact O-CB 3.29Å; S688-S692 PolarHBondContact O-N 3.35Å; S688-S692 PolarHBondContact O-OG 3.45Å; S688-M717 WeakPolarHBondContact CB-O 3.16Å; S688-M717 PolarHBondContact OG-O 3.07Å; S688-P720 WeakPolarHBondContact OG-CD 3.37Å; S688-P720 WeakPolarHBondContact OG-CG 3.47Å
689	S	85.1	Confident	81.4	Confident	26 Å²	26	39.9 Å²	39.9	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-44.5	177.7	-63.1	0	0	0	0	112.2	F685 I686 S692 C693	F685-S689 WeakPolarHBondContact CE1-OG 3.28Å; F685-S689 WeakPolarHBondContact O-CB 3.43Å; F685-S689 PolarHBondContact O-N 3.37Å; F685-S689 PolarHBondContact O-OG 2.62Å; I686-S689 PolarHBondContact O-N 3.37Å; S689-S692 WeakPolarHBondContact CA-OG 3.5Å; S689-S692 PolarHBondContact O-N 3.2Å; S689-S692 PolarHBondContact O-OG 3.34Å; S689-C693 PolarHBondContact O-SG 3.19Å
690	V	89.4	Confident	82.5	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-52.2	176.9	166.5	0	0	0	0	110.7	L650 L653 T662 L666 I686 S692 C693	L650-V690 HydrophobicContact CD2-CG1 3.95Å; L653-V690 HydrophobicContact CB-CG2 4.33Å; T662-V690 HydrophobicContact CG2-CG1 3.9Å; L666-V690 HydrophobicContact CD1-CG1 4.22Å; L666-V690 WeakPolarHBondContact CD1-O 3.35Å; L666-V690 HydrophobicContact CD2-CG1 4.03Å; L666-V690 HydrophobicContact CG-CG1 4.41Å; I686-V690 WeakPolarHBondContact O-CB 3.45Å; I686-V690 WeakPolarHBondContact O-CG2 3.45Å; I686-V690 PolarHBondContact O-N 3.08Å; V690-S692 VanDerWaalsContact C-N 3.33Å; V690-S692 PolarHBondContact O-N 2.83Å; V690-C693 VanDerWaalsContact O-CB 3.32Å; V690-C693 WeakPolarHBondContact O-CB 3.45Å; V690-C693 PolarHBondContact O-N 3.21Å
691	L	91.3	Very high	83.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-32.4	-178.8	-73.3	169.2	0	0	0	112.6	L666 I672 L687 S688 C693 A694 Y698 L700 A721	L666-L691 HydrophobicContact CD1-CD2 4.36Å; L666-L691 HydrophobicContact CD2-CD2 4.12Å; I672-L691 HydrophobicContact CD1-CD1 4.38Å; I672-L691 HydrophobicContact CD1-CD2 4.22Å; L687-L691 HydrophobicContact CD1-CD1 3.62Å; L687-L691 HydrophobicContact CD1-CG 4.26Å; L687-L691 HydrophobicContact CG-CD1 4.17Å; L687-L691 WeakPolarHBondContact O-CB 3.47Å; L687-L691 PolarHBondContact O-N 3.24Å; S688-L691 PolarHBondContact O-N 3.26Å; L691-C693 PolarHBondContact O-N 3.24Å; L691-C693 VanDerWaalsContact O-N 3.11Å; L691-A694 WeakPolarHBondContact O-CB 3.42Å; L691-A694 PolarHBondContact O-N 3.14Å; L691-Y698 HydrophobicContact CD2-CE1 3.99Å; L691-L700 HydrophobicContact CD1-CD1 4.32Å; L691-L700 HydrophobicContact CD2-CD1 4.15Å; L691-A721 HydrophobicContact CB-CB 4.15Å; L691-A721 HydrophobicContact CD1-CB 3.53Å; L691-A721 HydrophobicContact CG-CB 4.48Å
692	S	87.7	Confident	85	Confident	72 Å²	72	45.1 Å²	45.1	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-14.4	174.4	75.7	0	0	0	0	114.8	S688 S689 V690 A694	S688-S692 VanDerWaalsContact O-CB 3.23Å; S688-S692 WeakPolarHBondContact O-CB 3.29Å; S688-S692 PolarHBondContact O-N 3.35Å; S688-S692 PolarHBondContact O-OG 3.45Å; S689-S692 WeakPolarHBondContact CA-OG 3.5Å; S689-S692 PolarHBondContact O-N 3.2Å; S689-S692 PolarHBondContact O-OG 3.34Å; V690-S692 VanDerWaalsContact C-N 3.33Å; V690-S692 PolarHBondContact O-N 2.83Å; S692-A694 VanDerWaalsContact C-N 3.29Å
693	C	87.8	Confident	86.5	Confident	39 Å²	39	39.9 Å²	39.9	26%	0.264	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-21.2	170.7	-63.9	0	0	0	0	112.9	P659 T662 V663 S689 V690 L691	P659-C693 HydrophobicContact CB-CB 4.34Å; T662-C693 HydrophobicContact CG2-CB 3.93Å; V663-C693 HydrophobicContact CG2-CB 4.47Å; V663-C693 WeakPolarHBondContact CG2-O 3.45Å; S689-C693 PolarHBondContact O-SG 3.19Å; V690-C693 VanDerWaalsContact O-CB 3.32Å; V690-C693 WeakPolarHBondContact O-CB 3.45Å; V690-C693 PolarHBondContact O-N 3.21Å; L691-C693 PolarHBondContact O-N 3.24Å; L691-C693 VanDerWaalsContact O-N 3.11Å
694	A	88.5	Confident	87.4	Confident	16 Å²	16	38.9 Å²	38.9	13%	0.132	23%	0.23	C	C	.	.	S	Bend	trans	-70.1	157	-172.2	0	0	0	0	0	113.4	L666 L691 S692 Y698	L666-A694 HydrophobicContact CD1-CB 4.08Å; L691-A694 WeakPolarHBondContact O-CB 3.42Å; L691-A694 PolarHBondContact O-N 3.14Å; S692-A694 VanDerWaalsContact C-N 3.29Å; A694-Y698 HydrophobicContact CB-CD1 3.47Å; A694-Y698 VanDerWaalsContact CB-CD1 3.47Å; A694-Y698 HydrophobicContact CB-CE1 4.24Å; A694-Y698 HydrophobicContact CB-CG 3.97Å
695	S	85.8	Confident	88.2	Confident	56 Å²	56	38.9 Å²	38.9	39%	0.392	23%	0.23	S	C	.	.			trans	-69.4	153.4	171.8	57.4	0	0	0	0	111.1	S697 Y698 H724	S695-S697 PolarHBondContact O-N 2.96Å; S695-S697 PolarHBondContact OG-OG 3.37Å; S695-Y698 WeakPolarHBondContact O-CB 3.38Å; S695-Y698 PolarHBondContact O-N 2.91Å; S695-H724 PolarHBondContact O-CE1 2.82Å
696	A	83.8	Confident	88.3	Confident	93 Å²	93	35.5 Å²	35.5	77%	0.769	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-10.7	174.6	0	0	0	0	0	114.2	H699	A696-H699 PolarHBondContact O-CE1 3Å; A696-H699 PolarHBondContact O-NE2 2.72Å
697	S	85.5	Confident	88	Confident	96 Å²	96	36.8 Å²	36.8	67%	0.671	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-4	173.8	55.4	0	0	0	0	114.6	S695	S695-S697 PolarHBondContact O-N 2.96Å; S695-S697 PolarHBondContact OG-OG 3.37Å
698	Y	90.7	Very high	87.5	Confident	26 Å²	26	36.8 Å²	36.8	10%	0.102	23%	0.225	C	C	.	.			trans	-91.5	124.1	177.7	169.8	-96.5	0	0	0	110	L666 L691 A694 S695 L700 H724	L666-Y698 HydrophobicContact CB-CE1 4.47Å; L666-Y698 HydrophobicContact CB-CE2 4.37Å; L666-Y698 WeakPolarHBondContact O-CE2 3.46Å; L666-Y698 PolarHBondContact O-OH 3.12Å; L691-Y698 HydrophobicContact CD2-CE1 3.99Å; A694-Y698 HydrophobicContact CB-CD1 3.47Å; A694-Y698 VanDerWaalsContact CB-CD1 3.47Å; A694-Y698 HydrophobicContact CB-CE1 4.24Å; A694-Y698 HydrophobicContact CB-CG 3.97Å; S695-Y698 WeakPolarHBondContact O-CB 3.38Å; S695-Y698 PolarHBondContact O-N 2.91Å; Y698-L700 HydrophobicContact CE1-CG 4.29Å; Y698-L700 WeakPolarHBondContact OH-CD2 3.43Å; Y698-H724 PolarHBondContact O-ND1 3.34Å
699	H	90.4	Very high	86.8	Confident	68 Å²	68	41 Å²	41	32%	0.315	25%	0.246	S	C	.	.			trans	-135.3	130.3	177.7	-50.6	-75.4	0	0	0	110.5	A696 H724 H726 C753	A696-H699 PolarHBondContact O-CE1 3Å; A696-H699 PolarHBondContact O-NE2 2.72Å; H699-H724 CarbonylContact C-O 3.44Å; H699-H724 WeakPolarHBondContact CA-O 3.47Å; H699-H726 WeakPolarHBondContact CB-NE2 3.49Å; H699-H726 AromaticContact CG-NE2 3.95Å; H699-C753 PolarHBondContact ND1-SG 3.01Å
700	L	93.9	Very high	86.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	138.7	163.2	-66.5	167.3	0	0	0	109.1	I669 I672 L691 Y698 E702 L703 H724 H726	I669-L700 HydrophobicContact CG2-CD2 3.97Å; I672-L700 HydrophobicContact CB-CD1 4.4Å; I672-L700 HydrophobicContact CD1-CD1 3.92Å; I672-L700 HydrophobicContact CD1-CD2 4.24Å; I672-L700 HydrophobicContact CG1-CD1 4.13Å; I672-L700 HydrophobicContact CG1-CD2 3.97Å; L691-L700 HydrophobicContact CD1-CD1 4.32Å; L691-L700 HydrophobicContact CD2-CD1 4.15Å; Y698-L700 HydrophobicContact CE1-CG 4.29Å; Y698-L700 WeakPolarHBondContact OH-CD2 3.43Å; L700-E702 PolarHBondContact O-N 3.33Å; L700-L703 HydrophobicContact CD1-CB 4.22Å; L700-H724 WeakPolarHBondContact CB-O 3.31Å; L700-H724 PolarHBondContact N-O 2.9Å; L700-H726 PolarHBondContact O-CD2 2.95Å; L700-H726 PolarHBondContact O-N 3.17Å
701	K	93.8	Very high	85.9	Confident	140 Å²	140	43 Å²	43	61%	0.609	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	-36.9	163	-64.2	-169.8	169.5	-160.4	0	111	K670 S727	K670-K701 WeakPolarHBondContact O-CB 3.27Å; K670-K701 PolarHBondContact O-N 3.13Å; K701-S727 VanDerWaalsContact O-CB 3.22Å; K701-S727 WeakPolarHBondContact O-CB 3.46Å; K701-S727 PolarHBondContact O-N 2.84Å
702	E	93.5	Very high	85.4	Confident	69 Å²	69	45.8 Å²	45.8	32%	0.322	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	135.6	-172.3	-175.6	164.8	-122	0	0	112.2	S671 I672 L700 D704 S727	S671-E702 CarbonylContact C-O 3.56Å; S671-E702 VanDerWaalsContact CA-O 3.25Å; S671-E702 WeakPolarHBondContact CA-O 3.32Å; I672-E702 PolarHBondContact N-O 3.1Å; L700-E702 PolarHBondContact O-N 3.33Å; E702-D704 HydrophobicContact CG-CB 4.47Å; E702-S727 CarbonylContact C-O 3.54Å; E702-S727 WeakPolarHBondContact CA-O 3.2Å
703	L	96.4	Very high	84.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	103.8	166.7	176.4	56.3	0	0	0	107.4	I672 L687 L700 L705 F722 A725 S727 L728 N729	I672-L703 HydrophobicContact CB-CD1 3.91Å; I672-L703 HydrophobicContact CG2-CD1 3.83Å; I672-L703 WeakPolarHBondContact O-CA 3.34Å; L687-L703 HydrophobicContact CD2-CD1 4.36Å; L700-L703 HydrophobicContact CD1-CB 4.22Å; L703-L705 HydrophobicContact CD1-CD2 4Å; L703-L705 HydrophobicContact CD1-CG 4.16Å; L703-L705 HydrophobicContact CG-CD1 4.46Å; L703-L705 HydrophobicContact CG-CG 4.25Å; L703-F722 HydrophobicContact CD2-CD1 3.89Å; L703-F722 HydrophobicContact CD2-CE1 4.27Å; L703-A725 HydrophobicContact CB-CB 3.78Å; L703-A725 HydrophobicContact CD2-CB 4.39Å; L703-S727 PolarHBondContact N-O 3.24Å; L703-L728 HydrophobicContact CB-CD1 4.45Å; L703-L728 HydrophobicContact CD2-CD1 4.34Å; L703-L728 HydrophobicContact CG-CD1 4.33Å; L703-N729 PolarHBondContact O-N 3.22Å
704	D	90.8	Very high	84.4	Confident	18 Å²	18	46.4 Å²	46.4	10%	0.096	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.5	179.3	-171	-34.9	0	0	0	110.4	I672 C673 L674 T675 E702 S706 N729	I672-D704 PolarHBondContact O-N 2.92Å; C673-D704 HydrophobicContact CB-CB 4.4Å; L674-D704 PolarHBondContact N-O 3.19Å; T675-D704 VanDerWaalsContact OG1-CG 3.24Å; T675-D704 PolarHBondContact OG1-OD1 3.38Å; T675-D704 PolarHBondContact OG1-OD2 2.88Å; E702-D704 HydrophobicContact CG-CB 4.47Å; D704-S706 WeakPolarHBondContact OD1-CB 3.34Å; D704-S706 PolarHBondContact OD1-N 2.73Å; D704-S706 PolarHBondContact OD1-OG 2.7Å; D704-N729 HydrophobicContact CB-CB 4.16Å; D704-N729 PolarHBondContact OD1-ND2 2.99Å; D704-N729 PolarHBondContact OD2-ND2 2.84Å
705	L	90.9	Very high	84.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.259	C	S	.	.			trans	-123.6	36.9	174.5	-51.7	177.5	0	0	0	110	L674 L687 L703 C708 L710 L718 F722 N729 L730 N733	L674-L705 HydrophobicContact CB-CD2 4Å; L674-L705 HydrophobicContact CD1-CD2 3.83Å; L674-L705 HydrophobicContact CG-CD2 4.26Å; L687-L705 HydrophobicContact CD2-CD1 4.33Å; L687-L705 HydrophobicContact CD2-CD2 3.89Å; L703-L705 HydrophobicContact CD1-CD2 4Å; L703-L705 HydrophobicContact CD1-CG 4.16Å; L703-L705 HydrophobicContact CG-CD1 4.46Å; L703-L705 HydrophobicContact CG-CG 4.25Å; L705-C708 HydrophobicContact CB-CB 4.49Å; L705-C708 VanDerWaalsContact O-CB 3.32Å; L705-C708 WeakPolarHBondContact O-CB 3.34Å; L705-C708 PolarHBondContact O-SG 2.91Å; L705-C708 VanDerWaalsContact O-SG 3.32Å; L705-L710 HydrophobicContact CB-CD1 3.9Å; L705-L710 HydrophobicContact CD1-CD1 4.04Å; L705-L718 HydrophobicContact CD1-CD1 3.75Å; L705-F722 HydrophobicContact CD1-CE1 3.96Å; L705-N729 CarbonylContact C-O 3.5Å; L705-N729 PolarHBondContact N-O 3.27Å; L705-L730 HydrophobicContact CB-CD2 4.18Å; L705-L730 HydrophobicContact CD1-CD2 4.28Å; L705-N733 PolarHBondContact O-ND2 2.84Å
706	S	80.1	Confident	84	Confident	8 Å²	8	48.7 Å²	48.7	6%	0.056	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	144	180	56.3	0	0	0	0	113	T675 N676 D704 C708 N729 Q731	T675-S706 WeakPolarHBondContact CA-O 3.3Å; T675-S706 WeakPolarHBondContact CG2-OG 3.37Å; N676-S706 PolarHBondContact N-O 3.39Å; D704-S706 WeakPolarHBondContact OD1-CB 3.34Å; D704-S706 PolarHBondContact OD1-N 2.73Å; D704-S706 PolarHBondContact OD1-OG 2.7Å; S706-C708 PolarHBondContact O-N 3.35Å; S706-N729 PolarHBondContact OG-ND2 2.6Å; S706-Q731 CarbonylContact C-O 3.57Å; S706-Q731 WeakPolarHBondContact CA-O 3.35Å; S706-Q731 WeakPolarHBondContact CB-O 3.47Å
707	S	70.9	Confident	83.9	Confident	32 Å²	32	47 Å²	47	22%	0.224	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	27.8	-175	-47	0	0	0	0	114.5	N676 Q731	N676-S707 WeakPolarHBondContact OD1-CB 3.29Å; N676-S707 PolarHBondContact OD1-OG 2.87Å; S707-Q731 PolarHBondContact N-O 3.24Å
708	C	74.8	Confident	84	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-91.3	-2.3	-172.7	-74.9	0	0	0	0	115.5	L674 V677 M679 L705 S706 L710 N733	L674-C708 PolarHBondContact O-SG 2.87Å; V677-C708 WeakPolarHBondContact O-CA 3.48Å; V677-C708 PolarHBondContact O-SG 3.09Å; M679-C708 HydrophobicContact CB-CB 4.17Å; M679-C708 HydrophobicContact CG-CB 3.61Å; M679-C708 PolarHBondContact N-O 3.35Å; L705-C708 HydrophobicContact CB-CB 4.49Å; L705-C708 VanDerWaalsContact O-CB 3.32Å; L705-C708 WeakPolarHBondContact O-CB 3.34Å; L705-C708 PolarHBondContact O-SG 2.91Å; L705-C708 VanDerWaalsContact O-SG 3.32Å; S706-C708 PolarHBondContact O-N 3.35Å; C708-L710 VanDerWaalsContact C-N 3.34Å; C708-L710 HydrophobicContact CB-CD1 4.48Å; C708-L710 HydrophobicContact CB-CG 4.01Å; C708-N733 WeakPolarHBondContact CA-OD1 3.43Å; C708-N733 WeakPolarHBondContact CB-OD1 3.41Å; C708-N733 PolarHBondContact N-OD1 2.96Å; C708-N733 VanDerWaalsContact N-OD1 3.09Å
709	L	72.8	Confident	83.9	Confident	98 Å²	98	42.7 Å²	42.7	51%	0.513	22%	0.219	S	C	.	.			trans	62.5	32.2	-175.3	-50.2	175.9	0	0	0	114.3	R678 N733	R678-L709 HydrophobicContact CG-CD1 4.47Å; L709-N733 PolarHBondContact N-OD1 3.49Å
710	L	77.1	Confident	83.8	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.218	C	C	.	.			trans	-66.8	133.5	-179.7	-63.8	173.9	0	0	0	112.7	M679 L705 C708 M714 L715 L718 L730 N733 L735	M679-L710 HydrophobicContact CB-CD2 3.71Å; M679-L710 HydrophobicContact CG-CD2 4.15Å; L705-L710 HydrophobicContact CB-CD1 3.9Å; L705-L710 HydrophobicContact CD1-CD1 4.04Å; C708-L710 VanDerWaalsContact C-N 3.34Å; C708-L710 HydrophobicContact CB-CD1 4.48Å; C708-L710 HydrophobicContact CB-CG 4.01Å; L710-M714 HydrophobicContact CD2-CB 3.99Å; L710-M714 HydrophobicContact CD2-SD 4.14Å; L710-L715 HydrophobicContact CD1-CD2 4.45Å; L710-L718 HydrophobicContact CD1-CD1 4.05Å; L710-L718 HydrophobicContact CD2-CD1 3.77Å; L710-L730 HydrophobicContact CD1-CD2 3.81Å; L710-N733 HydrophobicContact CB-CB 4.11Å; L710-N733 WeakPolarHBondContact CB-OD1 3.46Å; L710-N733 WeakPolarHBondContact CG-OD1 3.46Å; L710-N733 PolarHBondContact N-OD1 3.28Å; L710-L735 HydrophobicContact CB-CD2 4.44Å; L710-L735 WeakPolarHBondContact O-CD2 3.26Å
711	T	77.1	Confident	83.7	Confident	70 Å²	70	41.6 Å²	41.6	43%	0.429	22%	0.218	S	C	.	.			trans	-100.1	169.6	170.8	67.7	0	0	0	0	112.1	N713 M714 L715	T711-N713 VanDerWaalsContact C-N 3.29Å; T711-N713 PolarHBondContact O-N 3.31Å; T711-M714 WeakPolarHBondContact O-CA 3.31Å; T711-M714 WeakPolarHBondContact O-CB 3.42Å; T711-M714 PolarHBondContact O-N 3.46Å; T711-L715 PolarHBondContact O-N 2.85Å
712	H	80.3	Confident	83.6	Confident	58 Å²	58	35.1 Å²	35.1	27%	0.269	19%	0.19	S	C	.	.	H	α-helix	trans	-49.7	-47	173.8	175.2	92.6	0	0	0	112.5	M714 L715 Q716 D738 S739	H712-M714 VanDerWaalsContact C-N 3.25Å; H712-M714 PolarHBondContact O-N 3.43Å; H712-L715 WeakPolarHBondContact O-CB 3.48Å; H712-L715 PolarHBondContact O-N 3.05Å; H712-L715 VanDerWaalsContact O-N 3.14Å; H712-Q716 PolarHBondContact O-N 3.28Å; H712-D738 PolarHBondContact CE1-O 3.12Å; H712-D738 VanDerWaalsContact ND1-C 3.28Å; H712-D738 PolarHBondContact ND1-O 3.04Å; H712-D738 VanDerWaalsContact ND1-O 3.14Å; H712-S739 PolarHBondContact ND1-N 2.9Å
713	N	75.5	Confident	83.5	Confident	106 Å²	106	36.1 Å²	36.1	57%	0.567	19%	0.191	S	C	*	.	H	α-helix	trans	-62.6	-33.1	178.2	-61.4	1.9	0	0	0	111.9	T711 Q716 M717	T711-N713 VanDerWaalsContact C-N 3.29Å; T711-N713 PolarHBondContact O-N 3.31Å; N713-Q716 PolarHBondContact O-N 3.14Å; N713-M717 WeakPolarHBondContact O-CE 3.3Å; N713-M717 PolarHBondContact O-N 3.17Å
714	M	79.1	Confident	83.2	Confident	19 Å²	19	37.2 Å²	37.2	9%	0.094	20%	0.196	C	C	.	.	H	α-helix	trans	-72.4	-37.5	175.1	-64.2	-173.1	-169.9	0	0	112.5	L710 T711 H712 Q716 M717 L718	L710-M714 HydrophobicContact CD2-CB 3.99Å; L710-M714 HydrophobicContact CD2-SD 4.14Å; T711-M714 WeakPolarHBondContact O-CA 3.31Å; T711-M714 WeakPolarHBondContact O-CB 3.42Å; T711-M714 PolarHBondContact O-N 3.46Å; H712-M714 VanDerWaalsContact C-N 3.25Å; H712-M714 PolarHBondContact O-N 3.43Å; M714-Q716 VanDerWaalsContact C-N 3.29Å; M714-Q716 PolarHBondContact O-N 3.5Å; M714-M717 HydrophobicContact CB-CE 4.38Å; M714-M717 HydrophobicContact CG-CE 4.01Å; M714-M717 PolarHBondContact O-N 3.49Å; M714-L718 WeakPolarHBondContact O-CB 3.48Å; M714-L718 VanDerWaalsContact O-CG 3.29Å; M714-L718 WeakPolarHBondContact O-CG 3.45Å; M714-L718 PolarHBondContact O-N 2.84Å
715	L	84.5	Confident	83.4	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-40.4	169.9	-69	-179.4	0	0	0	111.7	L710 T711 H712 M717 L718 A719 F722 L730 L735 L742	L710-L715 HydrophobicContact CD1-CD2 4.45Å; T711-L715 PolarHBondContact O-N 2.85Å; H712-L715 WeakPolarHBondContact O-CB 3.48Å; H712-L715 PolarHBondContact O-N 3.05Å; H712-L715 VanDerWaalsContact O-N 3.14Å; L715-M717 VanDerWaalsContact C-N 3.33Å; L715-M717 PolarHBondContact O-N 3.47Å; L715-L718 CarbonylContact O-C 3.57Å; L715-L718 PolarHBondContact O-N 3.4Å; L715-L718 VanDerWaalsContact O-N 3.09Å; L715-A719 PolarHBondContact O-N 2.87Å; L715-F722 HydrophobicContact CB-CE2 4.5Å; L715-F722 HydrophobicContact CD2-CE2 3.84Å; L715-F722 HydrophobicContact CD2-CZ 3.72Å; L715-L730 HydrophobicContact CD2-CD1 4.01Å; L715-L730 HydrophobicContact CD2-CD2 4.17Å; L715-L735 HydrophobicContact CD1-CD1 3.99Å; L715-L735 HydrophobicContact CD1-CD2 3.6Å; L715-L735 HydrophobicContact CD1-CG 4.36Å; L715-L735 HydrophobicContact CD2-CD1 4.44Å; L715-L735 HydrophobicContact CD2-CD2 4.38Å; L715-L735 HydrophobicContact CG-CD2 3.93Å; L715-L742 HydrophobicContact CB-CD1 3.96Å
716	Q	82.4	Confident	83.7	Confident	118 Å²	118	39.6 Å²	39.6	55%	0.551	21%	0.206	S	C	*	.	H	α-helix	trans	-61.8	-41.3	177.9	-163.2	-174.7	20.8	0	0	111.7	H712 N713 M714 L718 L742	H712-Q716 PolarHBondContact O-N 3.28Å; N713-Q716 PolarHBondContact O-N 3.14Å; M714-Q716 VanDerWaalsContact C-N 3.29Å; M714-Q716 PolarHBondContact O-N 3.5Å; Q716-L718 VanDerWaalsContact C-N 3.32Å; Q716-L718 PolarHBondContact O-N 3.3Å; Q716-L742 HydrophobicContact CB-CD1 3.91Å; Q716-L742 HydrophobicContact CG-CD2 4.3Å
717	M	80.9	Confident	84.4	Confident	58 Å²	58	39.9 Å²	39.9	29%	0.286	21%	0.208	S	C	.	.	H	α-helix	trans	-66.2	-32.1	173.4	-72	-177.3	-72.6	0	0	112.9	C684 S688 N713 M714 L715 P720	C684-M717 HydrophobicContact CB-CB 4.42Å; C684-M717 HydrophobicContact CB-CE 4.46Å; S688-M717 WeakPolarHBondContact CB-O 3.16Å; S688-M717 PolarHBondContact OG-O 3.07Å; N713-M717 WeakPolarHBondContact O-CE 3.3Å; N713-M717 PolarHBondContact O-N 3.17Å; M714-M717 HydrophobicContact CB-CE 4.38Å; M714-M717 HydrophobicContact CG-CE 4.01Å; M714-M717 PolarHBondContact O-N 3.49Å; L715-M717 VanDerWaalsContact C-N 3.33Å; L715-M717 PolarHBondContact O-N 3.47Å; M717-P720 WeakPolarHBondContact O-CD 3.43Å
718	L	89	Confident	85.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-86	-13.1	-179.6	-70.5	168.8	0	0	0	114.6	C684 L687 L705 L710 M714 L715 Q716 P720 A721 F722	C684-L718 HydrophobicContact CB-CD1 4.41Å; C684-L718 HydrophobicContact CB-CD2 4.09Å; C684-L718 HydrophobicContact CB-CG 3.99Å; L687-L718 HydrophobicContact CB-CD2 4.28Å; L687-L718 HydrophobicContact CD2-CD2 3.78Å; L687-L718 HydrophobicContact CG-CD2 4.16Å; L705-L718 HydrophobicContact CD1-CD1 3.75Å; L710-L718 HydrophobicContact CD1-CD1 4.05Å; L710-L718 HydrophobicContact CD2-CD1 3.77Å; M714-L718 WeakPolarHBondContact O-CB 3.48Å; M714-L718 VanDerWaalsContact O-CG 3.29Å; M714-L718 WeakPolarHBondContact O-CG 3.45Å; M714-L718 PolarHBondContact O-N 2.84Å; L715-L718 CarbonylContact O-C 3.57Å; L715-L718 PolarHBondContact O-N 3.4Å; L715-L718 VanDerWaalsContact O-N 3.09Å; Q716-L718 VanDerWaalsContact C-N 3.32Å; Q716-L718 PolarHBondContact O-N 3.3Å; L718-P720 VanDerWaalsContact C-N 3.29Å; L718-P720 VanDerWaalsContact O-N 3.13Å; L718-A721 WeakPolarHBondContact O-CA 3.4Å; L718-A721 WeakPolarHBondContact O-CB 3.49Å; L718-A721 PolarHBondContact O-N 3.13Å; L718-F722 HydrophobicContact CB-CD1 4.49Å; L718-F722 HydrophobicContact CB-CD2 4.41Å; L718-F722 HydrophobicContact CB-CE1 3.78Å; L718-F722 HydrophobicContact CB-CE2 3.67Å; L718-F722 HydrophobicContact CB-CZ 3.32Å; L718-F722 HydrophobicContact CD1-CE1 4.32Å; L718-F722 HydrophobicContact CD1-CZ 3.92Å; L718-F722 HydrophobicContact CG-CZ 4.24Å; L718-F722 PolarHBondContact O-N 3.22Å
719	A	88.4	Confident	86.5	Confident	31 Å²	31	38.9 Å²	38.9	26%	0.256	20%	0.2	S	C	.	.	H	α-helix	trans	-50.4	-36.7	-179.4	0	0	0	0	0	115.1	L715 F722	L715-A719 PolarHBondContact O-N 2.87Å; A719-F722 PolarHBondContact O-N 2.81Å
720	P	87.1	Confident	87.5	Confident	44 Å²	44	34.2 Å²	34.2	29%	0.286	18%	0.176	S	C	.	.	H	α-helix	trans	-63.5	-36.7	171.8	-22.5	34.6	0	0	0	114.2	S688 M717 L718	S688-P720 WeakPolarHBondContact OG-CD 3.37Å; S688-P720 WeakPolarHBondContact OG-CG 3.47Å; M717-P720 WeakPolarHBondContact O-CD 3.43Å; L718-P720 VanDerWaalsContact C-N 3.29Å; L718-P720 VanDerWaalsContact O-N 3.13Å
721	A	91.6	Very high	87.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.7	-39.8	177.4	0	0	0	0	0	112.3	L691 L718 R723 H724	L691-A721 HydrophobicContact CB-CB 4.15Å; L691-A721 HydrophobicContact CD1-CB 3.53Å; L691-A721 HydrophobicContact CG-CB 4.48Å; L718-A721 WeakPolarHBondContact O-CA 3.4Å; L718-A721 WeakPolarHBondContact O-CB 3.49Å; L718-A721 PolarHBondContact O-N 3.13Å; A721-R723 PolarHBondContact O-N 3.44Å; A721-H724 PolarHBondContact O-N 3.47Å
722	F	93.4	Very high	87.6	Confident	4 Å²	4	35 Å²	35	2%	0.018	17%	0.174	C	C	.	.	H	α-helix	trans	-61.9	-28.8	-174.9	-60.4	-33.2	0	0	0	114	L703 L705 L715 L718 A719 H724 A725 L728 L730 L746	L703-F722 HydrophobicContact CD2-CD1 3.89Å; L703-F722 HydrophobicContact CD2-CE1 4.27Å; L705-F722 HydrophobicContact CD1-CE1 3.96Å; L715-F722 HydrophobicContact CB-CE2 4.5Å; L715-F722 HydrophobicContact CD2-CE2 3.84Å; L715-F722 HydrophobicContact CD2-CZ 3.72Å; L718-F722 HydrophobicContact CB-CD1 4.49Å; L718-F722 HydrophobicContact CB-CD2 4.41Å; L718-F722 HydrophobicContact CB-CE1 3.78Å; L718-F722 HydrophobicContact CB-CE2 3.67Å; L718-F722 HydrophobicContact CB-CZ 3.32Å; L718-F722 HydrophobicContact CD1-CE1 4.32Å; L718-F722 HydrophobicContact CD1-CZ 3.92Å; L718-F722 HydrophobicContact CG-CZ 4.24Å; L718-F722 PolarHBondContact O-N 3.22Å; A719-F722 PolarHBondContact O-N 2.81Å; F722-H724 PolarHBondContact O-N 3.35Å; F722-H724 VanDerWaalsContact O-N 3.14Å; F722-A725 PolarHBondContact O-N 3.32Å; F722-L728 HydrophobicContact CB-CD2 4.08Å; F722-L728 HydrophobicContact CD1-CD1 3.56Å; F722-L728 HydrophobicContact CD1-CD2 3.86Å; F722-L728 HydrophobicContact CD1-CG 4.39Å; F722-L728 HydrophobicContact CD2-CD2 4.37Å; F722-L728 HydrophobicContact CE1-CD1 3.69Å; F722-L728 HydrophobicContact CE1-CD2 4.36Å; F722-L728 HydrophobicContact CG-CD1 4.41Å; F722-L728 HydrophobicContact CG-CD2 3.86Å; F722-L730 HydrophobicContact CE1-CD2 4.27Å; F722-L730 HydrophobicContact CZ-CD2 4.16Å; F722-L746 HydrophobicContact CB-CD1 3.68Å; F722-L746 HydrophobicContact CB-CD2 3.7Å; F722-L746 HydrophobicContact CB-CG 4.33Å; F722-L746 HydrophobicContact CD2-CD2 3.75Å; F722-L746 HydrophobicContact CG-CD2 4.06Å
723	R	89.8	Confident	87.3	Confident	91 Å²	91	32.4 Å²	32.4	34%	0.343	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.5	172.9	-68.6	179.5	172.9	119.6	3.4	113.3	A721 D749 C753	A721-R723 PolarHBondContact O-N 3.44Å; R723-D749 IonicContact CZ-OD2 3.13Å; R723-D749 IonicContact NE-OD2 2.64Å; R723-D749 PolarHBondContact NE-OD2 3.29Å; R723-D749 IonicContact NH2-OD2 3.73Å; R723-D749 PolarHBondContact NH2-OD2 3.17Å; R723-C753 PolarHBondContact O-SG 2.94Å
724	H	91.7	Very high	87.3	Confident	22 Å²	22	33.4 Å²	33.4	10%	0.102	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	10.3	-179.9	-64.1	-81.8	0	0	0	113.7	S695 Y698 H699 L700 A721 F722	S695-H724 PolarHBondContact O-CE1 2.82Å; Y698-H724 PolarHBondContact O-ND1 3.34Å; H699-H724 CarbonylContact C-O 3.44Å; H699-H724 WeakPolarHBondContact CA-O 3.47Å; L700-H724 WeakPolarHBondContact CB-O 3.31Å; L700-H724 PolarHBondContact N-O 2.9Å; A721-H724 PolarHBondContact O-N 3.47Å; F722-H724 PolarHBondContact O-N 3.35Å; F722-H724 VanDerWaalsContact O-N 3.14Å
725	A	95.1	Very high	87.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130	-177.5	0	0	0	0	0	113.2	L703 F722 C753 I754	L703-A725 HydrophobicContact CB-CB 3.78Å; L703-A725 HydrophobicContact CD2-CB 4.39Å; F722-A725 PolarHBondContact O-N 3.32Å; A725-C753 VanDerWaalsContact C-SG 3.55Å; A725-C753 PolarHBondContact O-SG 3.44Å; A725-C753 VanDerWaalsContact O-SG 3.35Å; A725-I754 WeakPolarHBondContact O-CA 3.45Å; A725-I754 WeakPolarHBondContact O-CG1 3.47Å; A725-I754 PolarHBondContact O-N 3.47Å
726	H	95.8	Very high	87.8	Confident	69 Å²	69	33.6 Å²	33.6	32%	0.319	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	-50	168.2	-69.7	-52	0	0	0	112.1	H699 L700 C753 I754 S755 S756	H699-H726 WeakPolarHBondContact CB-NE2 3.49Å; H699-H726 AromaticContact CG-NE2 3.95Å; L700-H726 PolarHBondContact O-CD2 2.95Å; L700-H726 PolarHBondContact O-N 3.17Å; H726-C753 PolarHBondContact ND1-O 3.25Å; H726-I754 CarbonylContact O-C 3.55Å; H726-I754 WeakPolarHBondContact O-CA 3.21Å; H726-S755 PolarHBondContact O-N 3.19Å; H726-S755 PolarHBondContact O-OG 3.41Å; H726-S756 PolarHBondContact O-N 2.83Å
727	S	96.1	Very high	88.4	Confident	14 Å²	14	29.5 Å²	29.5	10%	0.098	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.7	168.4	-172	0	0	0	0	109.7	K701 E702 L703 S756	K701-S727 VanDerWaalsContact O-CB 3.22Å; K701-S727 WeakPolarHBondContact O-CB 3.46Å; K701-S727 PolarHBondContact O-N 2.84Å; E702-S727 CarbonylContact C-O 3.54Å; E702-S727 WeakPolarHBondContact CA-O 3.2Å; L703-S727 PolarHBondContact N-O 3.24Å; S727-S756 CarbonylContact C-O 3.52Å; S727-S756 WeakPolarHBondContact CA-O 3.44Å; S727-S756 WeakPolarHBondContact OG-CB 3.32Å; S727-S756 PolarHBondContact OG-OG 3.3Å
728	L	97.6	Very high	88.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	107.3	176.5	178.3	55	0	0	0	109.2	L703 F722 L730 L746 I754 S756 L757 Q758	L703-L728 HydrophobicContact CB-CD1 4.45Å; L703-L728 HydrophobicContact CD2-CD1 4.34Å; L703-L728 HydrophobicContact CG-CD1 4.33Å; F722-L728 HydrophobicContact CB-CD2 4.08Å; F722-L728 HydrophobicContact CD1-CD1 3.56Å; F722-L728 HydrophobicContact CD1-CD2 3.86Å; F722-L728 HydrophobicContact CD1-CG 4.39Å; F722-L728 HydrophobicContact CD2-CD2 4.37Å; F722-L728 HydrophobicContact CE1-CD1 3.69Å; F722-L728 HydrophobicContact CE1-CD2 4.36Å; F722-L728 HydrophobicContact CG-CD1 4.41Å; F722-L728 HydrophobicContact CG-CD2 3.86Å; L728-L730 HydrophobicContact CD1-CD1 4.3Å; L728-L730 HydrophobicContact CD1-CD2 4.11Å; L728-L730 HydrophobicContact CD1-CG 3.94Å; L728-L730 HydrophobicContact CD2-CD1 4.02Å; L728-L730 HydrophobicContact CG-CD1 4Å; L728-L730 HydrophobicContact CG-CG 3.96Å; L728-L746 HydrophobicContact CD2-CD2 4.04Å; L728-I754 HydrophobicContact CB-CG2 4.43Å; L728-I754 HydrophobicContact CD2-CD1 3.87Å; L728-S756 PolarHBondContact N-O 2.95Å; L728-L757 HydrophobicContact CB-CD1 4.3Å; L728-L757 HydrophobicContact CD2-CD1 4.13Å; L728-L757 HydrophobicContact CG-CD1 4.21Å; L728-Q758 PolarHBondContact O-N 3.28Å
729	N	91.7	Very high	89.1	Confident	10 Å²	10	31.7 Å²	31.7	5%	0.053	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.2	176.3	179.3	8.6	0	0	0	110.1	L703 D704 L705 S706 Q731 Q758	L703-N729 PolarHBondContact O-N 3.22Å; D704-N729 HydrophobicContact CB-CB 4.16Å; D704-N729 PolarHBondContact OD1-ND2 2.99Å; D704-N729 PolarHBondContact OD2-ND2 2.84Å; L705-N729 CarbonylContact C-O 3.5Å; L705-N729 PolarHBondContact N-O 3.27Å; S706-N729 PolarHBondContact OG-ND2 2.6Å; N729-Q731 WeakPolarHBondContact OD1-CB 3.47Å; N729-Q731 WeakPolarHBondContact OD1-CG 3.34Å; N729-Q731 PolarHBondContact OD1-N 2.99Å; N729-Q731 VanDerWaalsContact OD1-N 3.12Å; N729-Q758 HydrophobicContact CB-CB 4.46Å
730	L	93.3	Very high	89.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.			trans	-124.8	21.7	-179	-67.8	174.8	0	0	0	111.6	L705 L710 L715 F722 L728 N733 L735 L743 Q758 L759 N762	L705-L730 HydrophobicContact CB-CD2 4.18Å; L705-L730 HydrophobicContact CD1-CD2 4.28Å; L710-L730 HydrophobicContact CD1-CD2 3.81Å; L715-L730 HydrophobicContact CD2-CD1 4.01Å; L715-L730 HydrophobicContact CD2-CD2 4.17Å; F722-L730 HydrophobicContact CE1-CD2 4.27Å; F722-L730 HydrophobicContact CZ-CD2 4.16Å; L728-L730 HydrophobicContact CD1-CD1 4.3Å; L728-L730 HydrophobicContact CD1-CD2 4.11Å; L728-L730 HydrophobicContact CD1-CG 3.94Å; L728-L730 HydrophobicContact CD2-CD1 4.02Å; L728-L730 HydrophobicContact CG-CD1 4Å; L728-L730 HydrophobicContact CG-CG 3.96Å; L730-N733 VanDerWaalsContact C-ND2 3.29Å; L730-N733 PolarHBondContact O-ND2 2.83Å; L730-L735 HydrophobicContact CB-CD1 4.21Å; L730-L735 HydrophobicContact CD1-CD1 4.5Å; L730-L743 HydrophobicContact CD1-CD2 3.92Å; L730-Q758 CarbonylContact C-O 3.43Å; L730-Q758 PolarHBondContact N-O 3.44Å; L730-L759 HydrophobicContact CB-CD2 4.06Å; L730-L759 HydrophobicContact CD1-CD2 4.2Å; L730-N762 PolarHBondContact O-ND2 3.2Å
731	Q	80.7	Confident	89.9	Confident	35 Å²	35	31.4 Å²	31.4	16%	0.164	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	153.8	-178.2	-61.1	174.9	29.2	0	0	112.9	S706 S707 N729 N733 Q758 C760	S706-Q731 CarbonylContact C-O 3.57Å; S706-Q731 WeakPolarHBondContact CA-O 3.35Å; S706-Q731 WeakPolarHBondContact CB-O 3.47Å; S707-Q731 PolarHBondContact N-O 3.24Å; N729-Q731 WeakPolarHBondContact OD1-CB 3.47Å; N729-Q731 WeakPolarHBondContact OD1-CG 3.34Å; N729-Q731 PolarHBondContact OD1-N 2.99Å; N729-Q731 VanDerWaalsContact OD1-N 3.12Å; Q731-N733 VanDerWaalsContact C-N 3.34Å; Q731-N733 PolarHBondContact O-N 3.36Å; Q731-N733 PolarHBondContact O-ND2 2.88Å; Q731-Q758 HydrophobicContact CG-CB 4.11Å; Q731-Q758 PolarHBondContact N-O 3.01Å; Q731-C760 CarbonylContact C-O 3.52Å; Q731-C760 WeakPolarHBondContact CA-O 3.48Å; Q731-C760 HydrophobicContact CB-CB 4.22Å; Q731-C760 WeakPolarHBondContact CB-O 3.48Å; Q731-C760 HydrophobicContact CG-CB 3.63Å
732	F	74.9	Confident	90	Very high	53 Å²	53	33.1 Å²	33.1	23%	0.232	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	33.8	172.7	-49.3	-78.9	0	0	0	115.5	C760 D761 V893	F732-C760 PolarHBondContact N-O 3.37Å; F732-D761 WeakPolarHBondContact CA-O 3.4Å; F732-D761 HydrophobicContact CD1-CB 3.47Å; F732-D761 VanDerWaalsContact CD1-CB 3.47Å; F732-D761 WeakPolarHBondContact CD1-OD2 3.19Å; F732-D761 HydrophobicContact CE1-CB 3.54Å; F732-D761 WeakPolarHBondContact CE1-OD2 3.19Å; F732-D761 HydrophobicContact CG-CB 4.33Å; F732-D761 HydrophobicContact CZ-CB 4.46Å; F732-V893 HydrophobicContact CE1-CG1 4.04Å; F732-V893 HydrophobicContact CZ-CG1 4.2Å
733	N	74.3	Confident	90.2	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.171	C	C	.	.	S	Bend	trans	-102.8	-4.8	-177.4	-83.5	-65.8	0	0	0	114.9	L705 C708 L709 L710 L730 Q731 L735 N762	L705-N733 PolarHBondContact O-ND2 2.84Å; C708-N733 WeakPolarHBondContact CA-OD1 3.43Å; C708-N733 WeakPolarHBondContact CB-OD1 3.41Å; C708-N733 PolarHBondContact N-OD1 2.96Å; C708-N733 VanDerWaalsContact N-OD1 3.09Å; L709-N733 PolarHBondContact N-OD1 3.49Å; L710-N733 HydrophobicContact CB-CB 4.11Å; L710-N733 WeakPolarHBondContact CB-OD1 3.46Å; L710-N733 WeakPolarHBondContact CG-OD1 3.46Å; L710-N733 PolarHBondContact N-OD1 3.28Å; L730-N733 VanDerWaalsContact C-ND2 3.29Å; L730-N733 PolarHBondContact O-ND2 2.83Å; Q731-N733 VanDerWaalsContact C-N 3.34Å; Q731-N733 PolarHBondContact O-N 3.36Å; Q731-N733 PolarHBondContact O-ND2 2.88Å; N733-L735 VanDerWaalsContact C-N 3.31Å; N733-L735 HydrophobicContact CB-CD1 4.33Å; N733-L735 HydrophobicContact CB-CD2 4.23Å; N733-L735 HydrophobicContact CB-CG 3.85Å; N733-N762 WeakPolarHBondContact CA-OD1 3.29Å; N733-N762 PolarHBondContact N-OD1 3.48Å
734	N	75.3	Confident	90.5	Very high	128 Å²	128	30.5 Å²	30.5	68%	0.684	16%	0.162	S	C	*	.			trans	60.6	36.5	-172.3	-168.2	66.7	0	0	0	113.4	G736 N762	N734-G736 PolarHBondContact O-N 3.08Å; N734-N762 PolarHBondContact N-OD1 2.89Å
735	L	86.4	Confident	90.6	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.178	C	C	.	.			trans	-68.4	123.3	174.2	-58.8	175.3	0	0	0	110.8	L710 L715 L730 N733 N762 P763 L764	L710-L735 HydrophobicContact CB-CD2 4.44Å; L710-L735 WeakPolarHBondContact O-CD2 3.26Å; L715-L735 HydrophobicContact CD1-CD1 3.99Å; L715-L735 HydrophobicContact CD1-CD2 3.6Å; L715-L735 HydrophobicContact CD1-CG 4.36Å; L715-L735 HydrophobicContact CD2-CD1 4.44Å; L715-L735 HydrophobicContact CD2-CD2 4.38Å; L715-L735 HydrophobicContact CG-CD2 3.93Å; L730-L735 HydrophobicContact CB-CD1 4.21Å; L730-L735 HydrophobicContact CD1-CD1 4.5Å; N733-L735 VanDerWaalsContact C-N 3.31Å; N733-L735 HydrophobicContact CB-CD1 4.33Å; N733-L735 HydrophobicContact CB-CD2 4.23Å; N733-L735 HydrophobicContact CB-CG 3.85Å; L735-N762 HydrophobicContact CB-CB 3.97Å; L735-N762 WeakPolarHBondContact CG-OD1 3.21Å; L735-N762 PolarHBondContact N-OD1 3.33Å; L735-N762 CarbonylContact O-C 3.52Å; L735-P763 CarbonylContact O-C 3.5Å; L735-P763 VanDerWaalsContact O-CD 3.22Å; L735-P763 WeakPolarHBondContact O-CD 3.17Å; L735-L764 HydrophobicContact CB-CD2 4.15Å; L735-L764 WeakPolarHBondContact O-CD2 3.29Å
736	G	88.8	Confident	90.6	Very high	22 Å²	22	34 Å²	34	23%	0.227	18%	0.181	C	C	.	.			trans	-91.9	179	176.1	0	0	0	0	0	114	N734 D738 S739	N734-G736 PolarHBondContact O-N 3.08Å; G736-D738 VanDerWaalsContact C-N 3.3Å; G736-D738 PolarHBondContact O-N 3.39Å; G736-D738 VanDerWaalsContact O-N 3.16Å; G736-S739 PolarHBondContact N-OG 2.97Å; G736-S739 WeakPolarHBondContact O-CB 3.48Å; G736-S739 PolarHBondContact O-N 3.03Å; G736-S739 PolarHBondContact O-OG 2.94Å
737	P	93.9	Very high	90.5	Very high	32 Å²	32	31 Å²	31	21%	0.208	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-40.1	-173.8	-26.4	32.4	0	0	0	115.1	S739 C740 L764 L765	P737-S739 PolarHBondContact O-N 2.94Å; P737-S739 VanDerWaalsContact O-N 3.14Å; P737-C740 VanDerWaalsContact O-CB 3.3Å; P737-C740 WeakPolarHBondContact O-CB 3.48Å; P737-C740 PolarHBondContact O-N 2.98Å; P737-L764 WeakPolarHBondContact CG-O 3.35Å; P737-L765 HydrophobicContact CG-CD1 4.16Å; P737-L765 HydrophobicContact CG-CG 4.33Å
738	D	92.1	Very high	90.4	Very high	101 Å²	101	33.1 Å²	33.1	54%	0.54	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.1	-179.5	-48.6	-52.4	0	0	0	112.6	H712 G736 C740 I741	H712-D738 PolarHBondContact CE1-O 3.12Å; H712-D738 VanDerWaalsContact ND1-C 3.28Å; H712-D738 PolarHBondContact ND1-O 3.04Å; H712-D738 VanDerWaalsContact ND1-O 3.14Å; G736-D738 VanDerWaalsContact C-N 3.3Å; G736-D738 PolarHBondContact O-N 3.39Å; G736-D738 VanDerWaalsContact O-N 3.16Å; D738-C740 PolarHBondContact O-N 3.34Å; D738-I741 WeakPolarHBondContact O-CB 3.46Å; D738-I741 PolarHBondContact O-N 3.35Å
739	S	94.3	Very high	90.1	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-30.9	174.5	-46.3	0	0	0	0	112	H712 G736 P737 I741 L742 L743	H712-S739 PolarHBondContact ND1-N 2.9Å; G736-S739 PolarHBondContact N-OG 2.97Å; G736-S739 WeakPolarHBondContact O-CB 3.48Å; G736-S739 PolarHBondContact O-N 3.03Å; G736-S739 PolarHBondContact O-OG 2.94Å; P737-S739 PolarHBondContact O-N 2.94Å; P737-S739 VanDerWaalsContact O-N 3.14Å; S739-I741 PolarHBondContact O-N 2.98Å; S739-L742 PolarHBondContact O-N 2.9Å; S739-L743 WeakPolarHBondContact O-CG 3.41Å; S739-L743 PolarHBondContact O-N 3.07Å; S739-L743 VanDerWaalsContact O-N 3.09Å
740	C	96.4	Very high	89.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-69.3	-20.7	178.1	-69	0	0	0	0	113.3	P737 D738 K744 G768 I771 L772	P737-C740 VanDerWaalsContact O-CB 3.3Å; P737-C740 WeakPolarHBondContact O-CB 3.48Å; P737-C740 PolarHBondContact O-N 2.98Å; D738-C740 PolarHBondContact O-N 3.34Å; C740-K744 WeakPolarHBondContact O-CB 3.2Å; C740-K744 PolarHBondContact O-N 3.46Å; C740-G768 WeakPolarHBondContact CB-O 3.4Å; C740-G768 VanDerWaalsContact SG-C 3.52Å; C740-G768 PolarHBondContact SG-O 2.9Å; C740-I771 HydrophobicContact CB-CB 4.18Å; C740-I771 HydrophobicContact CB-CG2 4.29Å; C740-L772 HydrophobicContact CB-CB 4.27Å
741	I	95.1	Very high	89.5	Confident	69 Å²	69	47.3 Å²	47.3	35%	0.354	25%	0.253	S	S	.	.	H	α-helix	trans	-63.4	-52.4	172.2	-55.3	170.9	0	0	0	108.9	D738 S739 L743 K744 D745 I771	D738-I741 WeakPolarHBondContact O-CB 3.46Å; D738-I741 PolarHBondContact O-N 3.35Å; S739-I741 PolarHBondContact O-N 2.98Å; I741-L743 VanDerWaalsContact C-N 3.33Å; I741-L743 PolarHBondContact O-N 3.01Å; I741-K744 WeakPolarHBondContact O-CB 3.49Å; I741-K744 PolarHBondContact O-N 2.87Å; I741-D745 VanDerWaalsContact O-CG 3.27Å; I741-D745 PolarHBondContact O-N 3.25Å; I741-I771 HydrophobicContact CG1-CD1 4.24Å; I741-I771 HydrophobicContact CG1-CG2 4.09Å
742	L	94.5	Very high	89.7	Confident	37 Å²	37	46.6 Å²	46.6	19%	0.194	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-37.6	177.8	-62.2	174.6	0	0	0	112.4	L715 Q716 S739 L746	L715-L742 HydrophobicContact CB-CD1 3.96Å; Q716-L742 HydrophobicContact CB-CD1 3.91Å; Q716-L742 HydrophobicContact CG-CD2 4.3Å; S739-L742 PolarHBondContact O-N 2.9Å; L742-L746 WeakPolarHBondContact O-CB 3.42Å; L742-L746 PolarHBondContact O-N 2.66Å
743	L	96	Very high	90.3	Very high	2 Å²	2	45 Å²	45	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-72.2	-35	177.7	-66.1	170.1	0	0	0	112.6	L730 S739 I741 L746 L747 L759 L772	L730-L743 HydrophobicContact CD1-CD2 3.92Å; S739-L743 WeakPolarHBondContact O-CG 3.41Å; S739-L743 PolarHBondContact O-N 3.07Å; S739-L743 VanDerWaalsContact O-N 3.09Å; I741-L743 VanDerWaalsContact C-N 3.33Å; I741-L743 PolarHBondContact O-N 3.01Å; L743-L746 HydrophobicContact CD2-CD2 4.15Å; L743-L747 WeakPolarHBondContact O-CG 3.28Å; L743-L747 PolarHBondContact O-N 2.86Å; L743-L759 HydrophobicContact CD1-CD1 4.04Å; L743-L759 HydrophobicContact CD1-CD2 3.71Å; L743-L772 HydrophobicContact CB-CD1 3.65Å
744	K	96	Very high	91.4	Very high	37 Å²	37	44.8 Å²	44.8	16%	0.161	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-53.3	170.9	-179.4	-168.6	69.9	-175.1	0	110.1	C740 I741 L746 L747 L748 I771 E774 A775	C740-K744 WeakPolarHBondContact O-CB 3.2Å; C740-K744 PolarHBondContact O-N 3.46Å; I741-K744 WeakPolarHBondContact O-CB 3.49Å; I741-K744 PolarHBondContact O-N 2.87Å; K744-L746 PolarHBondContact O-N 3.07Å; K744-L747 PolarHBondContact O-N 3.17Å; K744-L748 HydrophobicContact CD-CD1 4.32Å; K744-L748 HydrophobicContact CG-CD1 3.9Å; K744-L748 HydrophobicContact CG-CG 4.44Å; K744-L748 WeakPolarHBondContact O-CG 3.47Å; K744-L748 PolarHBondContact O-N 3.47Å; K744-I771 HydrophobicContact CB-CG2 4.31Å; K744-I771 HydrophobicContact CD-CG2 4.14Å; K744-I771 VanDerWaalsContact CD-O 3.27Å; K744-I771 WeakPolarHBondContact CD-O 3.43Å; K744-I771 WeakPolarHBondContact CG-O 3.47Å; K744-E774 HydrophobicContact CD-CB 3.67Å; K744-E774 HydrophobicContact CD-CG 4.38Å; K744-E774 WeakPolarHBondContact CD-OE2 3.37Å; K744-E774 WeakPolarHBondContact CE-OE2 3.27Å; K744-E774 HydrophobicContact CG-CB 4.34Å; K744-E774 IonicContact NZ-OE2 3.76Å; K744-E774 PolarHBondContact NZ-OE2 2.66Å; K744-A775 HydrophobicContact CG-CB 4Å
745	D	94.7	Very high	92.4	Very high	83 Å²	83	40.3 Å²	40.3	44%	0.444	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-34.6	-177.7	-63.5	-10.6	0	0	0	111.4	I741 L748 D749	I741-D745 VanDerWaalsContact O-CG 3.27Å; I741-D745 PolarHBondContact O-N 3.25Å; D745-L748 PolarHBondContact O-N 2.94Å; D745-D749 PolarHBondContact O-N 2.98Å
746	L	94.5	Very high	92.9	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.068	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-32.2	172.4	174.2	67.5	0	0	0	114.1	F722 L728 L742 L743 K744 T752 I754	F722-L746 HydrophobicContact CB-CD1 3.68Å; F722-L746 HydrophobicContact CB-CD2 3.7Å; F722-L746 HydrophobicContact CB-CG 4.33Å; F722-L746 HydrophobicContact CD2-CD2 3.75Å; F722-L746 HydrophobicContact CG-CD2 4.06Å; L728-L746 HydrophobicContact CD2-CD2 4.04Å; L742-L746 WeakPolarHBondContact O-CB 3.42Å; L742-L746 PolarHBondContact O-N 2.66Å; L743-L746 HydrophobicContact CD2-CD2 4.15Å; K744-L746 PolarHBondContact O-N 3.07Å; L746-T752 WeakPolarHBondContact O-CB 3.43Å; L746-T752 WeakPolarHBondContact O-CG2 3.48Å; L746-T752 PolarHBondContact O-OG1 3.04Å; L746-I754 HydrophobicContact CD1-CD1 4.06Å; L746-I754 HydrophobicContact CD2-CD1 3.67Å; L746-I754 HydrophobicContact CG-CD1 3.72Å
747	L	94.3	Very high	93.3	Very high	5 Å²	5	39.9 Å²	39.9	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-81.5	-22.7	174.9	-73.5	174.8	0	0	0	112.7	L743 K744 I754 L757 L772 A775 N779	L743-L747 WeakPolarHBondContact O-CG 3.28Å; L743-L747 PolarHBondContact O-N 2.86Å; K744-L747 PolarHBondContact O-N 3.17Å; L747-I754 HydrophobicContact CD2-CG2 4.5Å; L747-L757 HydrophobicContact CD1-CD2 3.96Å; L747-L757 HydrophobicContact CD2-CD2 4.43Å; L747-L757 HydrophobicContact CG-CD2 4.48Å; L747-L772 HydrophobicContact CD1-CD1 3.8Å; L747-A775 HydrophobicContact CB-CB 3.76Å; L747-A775 HydrophobicContact CD1-CB 4.23Å; L747-N779 PolarHBondContact O-ND2 3.31Å
748	L	94.3	Very high	93.2	Very high	60 Å²	60	39.8 Å²	39.8	31%	0.314	22%	0.215	S	C	.	.	H	α-helix	trans	-85.6	-18.8	174.1	-69	175.3	0	0	0	113.4	K744 D745 P750 A775 Q778	K744-L748 HydrophobicContact CD-CD1 4.32Å; K744-L748 HydrophobicContact CG-CD1 3.9Å; K744-L748 HydrophobicContact CG-CG 4.44Å; K744-L748 WeakPolarHBondContact O-CG 3.47Å; K744-L748 PolarHBondContact O-N 3.47Å; D745-L748 PolarHBondContact O-N 2.94Å; L748-P750 WeakPolarHBondContact O-CD 3.35Å; L748-A775 HydrophobicContact CD2-CB 4.2Å; L748-A775 HydrophobicContact CG-CB 4.1Å; L748-Q778 HydrophobicContact CD2-CB 3.53Å; L748-Q778 HydrophobicContact CD2-CG 4.26Å
749	D	90.9	Very high	93.2	Very high	27 Å²	27	35 Å²	35	14%	0.144	19%	0.189	C	C	.	.			trans	-67.2	119.4	179.5	-171.4	-24.3	0	0	0	111.3	R723 D745 K751 T752	R723-D749 IonicContact CZ-OD2 3.13Å; R723-D749 IonicContact NE-OD2 2.64Å; R723-D749 PolarHBondContact NE-OD2 3.29Å; R723-D749 IonicContact NH2-OD2 3.73Å; R723-D749 PolarHBondContact NH2-OD2 3.17Å; D745-D749 PolarHBondContact O-N 2.98Å; D749-K751 PolarHBondContact O-N 3.4Å; D749-K751 VanDerWaalsContact OD1-CB 3.28Å; D749-K751 WeakPolarHBondContact OD1-CB 3.48Å; D749-K751 WeakPolarHBondContact OD1-CG 3.41Å; D749-K751 PolarHBondContact OD1-N 2.99Å; D749-T752 WeakPolarHBondContact O-CB 3.11Å; D749-T752 VanDerWaalsContact O-CG2 3.26Å; D749-T752 WeakPolarHBondContact O-CG2 3.09Å; D749-T752 PolarHBondContact O-N 3.03Å
750	P	87.1	Confident	92.6	Very high	130 Å²	130	35.3 Å²	35.3	84%	0.844	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-2.5	179.6	29.4	-36.9	0	0	0	114.2	L748	L748-P750 WeakPolarHBondContact O-CD 3.35Å
751	K	84.9	Confident	91.6	Very high	150 Å²	150	37.2 Å²	37.2	65%	0.652	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-3.7	169.8	-57.8	170.6	-175.9	170.5	0	113	D749	D749-K751 PolarHBondContact O-N 3.4Å; D749-K751 VanDerWaalsContact OD1-CB 3.28Å; D749-K751 WeakPolarHBondContact OD1-CB 3.48Å; D749-K751 WeakPolarHBondContact OD1-CG 3.41Å; D749-K751 PolarHBondContact OD1-N 2.99Å
752	T	85.4	Confident	90.9	Very high	21 Å²	21	34 Å²	34	13%	0.129	19%	0.185	C	C	.	.			trans	-74.3	146.9	176.7	-145.8	0	0	0	0	110.5	L746 D749	L746-T752 WeakPolarHBondContact O-CB 3.43Å; L746-T752 WeakPolarHBondContact O-CG2 3.48Å; L746-T752 PolarHBondContact O-OG1 3.04Å; D749-T752 WeakPolarHBondContact O-CB 3.11Å; D749-T752 VanDerWaalsContact O-CG2 3.26Å; D749-T752 WeakPolarHBondContact O-CG2 3.09Å; D749-T752 PolarHBondContact O-N 3.03Å
753	C	88.3	Confident	90.3	Very high	18 Å²	18	34.6 Å²	34.6	12%	0.122	19%	0.191	C	C	.	.			trans	-127.4	14.2	176.8	65.9	0	0	0	0	112.6	H699 R723 A725 H726 S755	H699-C753 PolarHBondContact ND1-SG 3.01Å; R723-C753 PolarHBondContact O-SG 2.94Å; A725-C753 VanDerWaalsContact C-SG 3.55Å; A725-C753 PolarHBondContact O-SG 3.44Å; A725-C753 VanDerWaalsContact O-SG 3.35Å; H726-C753 PolarHBondContact ND1-O 3.25Å; C753-S755 PolarHBondContact O-N 3Å
754	I	95.6	Very high	90.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.			trans	-68.2	116.3	-174	-60.8	167.9	0	0	0	109.9	A725 H726 L728 L746 L747 L757 S781 L782	A725-I754 WeakPolarHBondContact O-CA 3.45Å; A725-I754 WeakPolarHBondContact O-CG1 3.47Å; A725-I754 PolarHBondContact O-N 3.47Å; H726-I754 CarbonylContact O-C 3.55Å; H726-I754 WeakPolarHBondContact O-CA 3.21Å; L728-I754 HydrophobicContact CB-CG2 4.43Å; L728-I754 HydrophobicContact CD2-CD1 3.87Å; L746-I754 HydrophobicContact CD1-CD1 4.06Å; L746-I754 HydrophobicContact CD2-CD1 3.67Å; L746-I754 HydrophobicContact CG-CD1 3.72Å; L747-I754 HydrophobicContact CD2-CG2 4.5Å; I754-L757 HydrophobicContact CG2-CB 4.23Å; I754-S781 CarbonylContact O-C 3.47Å; I754-S781 VanDerWaalsContact O-CB 3.28Å; I754-S781 WeakPolarHBondContact O-CB 3.34Å; I754-S781 PolarHBondContact O-OG 3Å; I754-L782 HydrophobicContact CG2-CD1 4.5Å
755	S	96.2	Very high	90	Very high	34 Å²	34	36.7 Å²	36.7	24%	0.238	20%	0.203	C	C	.	.			trans	-112.1	-13.5	174	61.9	0	0	0	0	113.7	H726 C753 S781 I783 Y784	H726-S755 PolarHBondContact O-N 3.19Å; H726-S755 PolarHBondContact O-OG 3.41Å; C753-S755 PolarHBondContact O-N 3Å; S755-S781 WeakPolarHBondContact CA-O 3.49Å; S755-S781 WeakPolarHBondContact CB-O 3.19Å; S755-I783 WeakPolarHBondContact O-CA 3.22Å; S755-I783 WeakPolarHBondContact O-CB 3.47Å; S755-I783 PolarHBondContact O-N 2.78Å; S755-Y784 PolarHBondContact O-N 2.84Å
756	S	97	Very high	89.9	Confident	14 Å²	14	35.4 Å²	35.4	10%	0.098	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	119.5	172.5	151.6	0	0	0	0	109	H726 S727 L728 Q758 Y784	H726-S756 PolarHBondContact O-N 2.83Å; S727-S756 CarbonylContact C-O 3.52Å; S727-S756 WeakPolarHBondContact CA-O 3.44Å; S727-S756 WeakPolarHBondContact OG-CB 3.32Å; S727-S756 PolarHBondContact OG-OG 3.3Å; L728-S756 PolarHBondContact N-O 2.95Å; S756-Q758 PolarHBondContact OG-NE2 3.11Å; S756-Y784 WeakPolarHBondContact CA-O 3.44Å
757	L	97.5	Very high	89.9	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.6	176	-179.4	59.4	0	0	0	110.1	L728 L747 I754 L759 L772 L782 Y784 L785 S786	L728-L757 HydrophobicContact CB-CD1 4.3Å; L728-L757 HydrophobicContact CD2-CD1 4.13Å; L728-L757 HydrophobicContact CG-CD1 4.21Å; L747-L757 HydrophobicContact CD1-CD2 3.96Å; L747-L757 HydrophobicContact CD2-CD2 4.43Å; L747-L757 HydrophobicContact CG-CD2 4.48Å; I754-L757 HydrophobicContact CG2-CB 4.23Å; L757-L759 HydrophobicContact CD1-CD2 4.19Å; L757-L759 HydrophobicContact CD1-CG 4.27Å; L757-L759 HydrophobicContact CD2-CD1 4.1Å; L757-L759 HydrophobicContact CG-CD1 4.16Å; L757-L759 HydrophobicContact CG-CG 4.11Å; L757-L772 HydrophobicContact CD2-CD1 4.48Å; L757-L782 HydrophobicContact CB-CD1 3.88Å; L757-Y784 PolarHBondContact N-O 2.97Å; L757-L785 HydrophobicContact CB-CD1 4.28Å; L757-L785 HydrophobicContact CD2-CD1 4.31Å; L757-L785 HydrophobicContact CG-CD1 4.4Å; L757-S786 PolarHBondContact O-N 3.18Å
758	Q	92.8	Very high	89.9	Confident	29 Å²	29	37 Å²	37	14%	0.136	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	112.5	-173.2	-39.5	-173.9	15	0	0	111	L728 N729 L730 Q731 S756 Y784	L728-Q758 PolarHBondContact O-N 3.28Å; N729-Q758 HydrophobicContact CB-CB 4.46Å; L730-Q758 CarbonylContact C-O 3.43Å; L730-Q758 PolarHBondContact N-O 3.44Å; Q731-Q758 HydrophobicContact CG-CB 4.11Å; Q731-Q758 PolarHBondContact N-O 3.01Å; S756-Q758 PolarHBondContact OG-NE2 3.11Å; Q758-Y784 HydrophobicContact CG-CD1 4.24Å; Q758-Y784 HydrophobicContact CG-CE1 3.82Å
759	L	90.8	Very high	89.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.			trans	-120.8	16.8	-172	-61.4	171.3	0	0	0	112.8	L730 L743 L757 N762 L764 L772 S786 L787 T790	L730-L759 HydrophobicContact CB-CD2 4.06Å; L730-L759 HydrophobicContact CD1-CD2 4.2Å; L743-L759 HydrophobicContact CD1-CD1 4.04Å; L743-L759 HydrophobicContact CD1-CD2 3.71Å; L757-L759 HydrophobicContact CD1-CD2 4.19Å; L757-L759 HydrophobicContact CD1-CG 4.27Å; L757-L759 HydrophobicContact CD2-CD1 4.1Å; L757-L759 HydrophobicContact CG-CD1 4.16Å; L757-L759 HydrophobicContact CG-CG 4.11Å; L759-N762 WeakPolarHBondContact O-CB 3.43Å; L759-N762 PolarHBondContact O-ND2 3.31Å; L759-L764 HydrophobicContact CB-CD1 4.19Å; L759-L764 HydrophobicContact CD1-CD1 3.96Å; L759-L772 HydrophobicContact CD1-CD2 3.62Å; L759-S786 PolarHBondContact N-O 3.47Å; L759-L787 HydrophobicContact CB-CD2 4.4Å; L759-L787 HydrophobicContact CD1-CD2 3.94Å; L759-T790 HydrophobicContact CB-CG2 4.43Å; L759-T790 WeakPolarHBondContact O-CG2 3.32Å
760	C	83.2	Confident	90.1	Very high	10 Å²	10	36.3 Å²	36.3	7%	0.068	20%	0.201	C	C	.	.			trans	-51.2	138.3	-176.6	-174.5	0	0	0	0	113.4	Q731 F732 N762 M788	Q731-C760 CarbonylContact C-O 3.52Å; Q731-C760 WeakPolarHBondContact CA-O 3.48Å; Q731-C760 HydrophobicContact CB-CB 4.22Å; Q731-C760 WeakPolarHBondContact CB-O 3.48Å; Q731-C760 HydrophobicContact CG-CB 3.63Å; F732-C760 PolarHBondContact N-O 3.37Å; C760-N762 PolarHBondContact O-ND2 2.63Å; C760-M788 WeakPolarHBondContact CA-O 3.32Å; C760-M788 HydrophobicContact CB-CB 4.18Å; C760-M788 PolarHBondContact SG-O 3.42Å; C760-M788 VanDerWaalsContact SG-O 3.35Å
761	D	74.2	Confident	90.6	Very high	40 Å²	40	32 Å²	32	21%	0.214	17%	0.17	C	C	.	.	S	Bend	trans	54.7	56.1	178.3	-152.6	5.8	0	0	0	113.3	F732 M788 H789	F732-D761 WeakPolarHBondContact CA-O 3.4Å; F732-D761 HydrophobicContact CD1-CB 3.47Å; F732-D761 VanDerWaalsContact CD1-CB 3.47Å; F732-D761 WeakPolarHBondContact CD1-OD2 3.19Å; F732-D761 HydrophobicContact CE1-CB 3.54Å; F732-D761 WeakPolarHBondContact CE1-OD2 3.19Å; F732-D761 HydrophobicContact CG-CB 4.33Å; F732-D761 HydrophobicContact CZ-CB 4.46Å; D761-M788 PolarHBondContact N-O 2.69Å; D761-M788 VanDerWaalsContact N-O 3.08Å; D761-H789 IonicContact OD1-CD2 2.7Å; D761-H789 PolarHBondContact OD1-CD2 3.04Å
762	N	79.9	Confident	91.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.14	C	C	.	.			trans	-132.5	129.9	170	-73.9	-70.1	0	0	0	108.3	L730 N733 N734 L735 L759 C760 L764 T790	L730-N762 PolarHBondContact O-ND2 3.2Å; N733-N762 WeakPolarHBondContact CA-OD1 3.29Å; N733-N762 PolarHBondContact N-OD1 3.48Å; N734-N762 PolarHBondContact N-OD1 2.89Å; L735-N762 HydrophobicContact CB-CB 3.97Å; L735-N762 WeakPolarHBondContact CG-OD1 3.21Å; L735-N762 PolarHBondContact N-OD1 3.33Å; L735-N762 CarbonylContact O-C 3.52Å; L759-N762 WeakPolarHBondContact O-CB 3.43Å; L759-N762 PolarHBondContact O-ND2 3.31Å; C760-N762 PolarHBondContact O-ND2 2.63Å; N762-L764 HydrophobicContact CB-CD2 4.02Å; N762-L764 HydrophobicContact CB-CG 4.26Å; N762-L764 PolarHBondContact O-N 3.09Å; N762-T790 WeakPolarHBondContact O-CA 3.5Å
763	P	83.6	Confident	91.5	Very high	51 Å²	51	24.1 Å²	24.1	33%	0.331	13%	0.134	S	C	.	.			trans	-75.2	63.1	-177	33.9	-38.2	0	0	0	112.8	L735 L765	L735-P763 CarbonylContact O-C 3.5Å; L735-P763 VanDerWaalsContact O-CD 3.22Å; L735-P763 WeakPolarHBondContact O-CD 3.17Å; P763-L765 VanDerWaalsContact C-N 3.26Å; P763-L765 PolarHBondContact O-N 3.39Å
764	L	93	Very high	91.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.			trans	-66.9	-28.9	176.3	-49.8	-177.9	0	0	0	111.9	L735 P737 L759 N762 G768 V769 T790	L735-L764 HydrophobicContact CB-CD2 4.15Å; L735-L764 WeakPolarHBondContact O-CD2 3.29Å; P737-L764 WeakPolarHBondContact CG-O 3.35Å; L759-L764 HydrophobicContact CB-CD1 4.19Å; L759-L764 HydrophobicContact CD1-CD1 3.96Å; N762-L764 HydrophobicContact CB-CD2 4.02Å; N762-L764 HydrophobicContact CB-CG 4.26Å; N762-L764 PolarHBondContact O-N 3.09Å; L764-G768 WeakPolarHBondContact O-CA 3.36Å; L764-G768 PolarHBondContact O-N 3.32Å; L764-V769 HydrophobicContact CB-CG2 3.95Å; L764-V769 HydrophobicContact CD1-CG2 4.05Å; L764-T790 HydrophobicContact CD1-CG2 3.65Å; L764-T790 HydrophobicContact CG-CG2 4.01Å; L764-T790 PolarHBondContact N-O 3.38Å; L764-T790 VanDerWaalsContact N-O 3.17Å
765	L	92.8	Very high	91.8	Very high	82 Å²	82	27.3 Å²	27.3	43%	0.429	15%	0.147	S	C	.	.	H	α-helix	trans	60.2	177.9	-173.2	-47.5	-179.7	0	0	0	112.9	P737 P763 S767 V769 T790 G791	P737-L765 HydrophobicContact CG-CD1 4.16Å; P737-L765 HydrophobicContact CG-CG 4.33Å; P763-L765 VanDerWaalsContact C-N 3.26Å; P763-L765 PolarHBondContact O-N 3.39Å; L765-S767 VanDerWaalsContact C-N 3.33Å; L765-V769 WeakPolarHBondContact O-CG2 3.43Å; L765-V769 PolarHBondContact O-N 2.98Å; L765-V769 VanDerWaalsContact O-N 3.13Å; L765-T790 PolarHBondContact N-O 2.59Å; L765-G791 CarbonylContact C-O 3.59Å
766	D	91.4	Very high	91.5	Very high	56 Å²	56	25.9 Å²	25.9	30%	0.299	14%	0.137	S	C	.	.	H	α-helix	trans	-63.2	-42	173.8	74	-41.3	0	0	0	111	G768 V769 R770 G791 L792	D766-G768 PolarHBondContact O-N 2.81Å; D766-V769 PolarHBondContact O-N 3.43Å; D766-R770 WeakPolarHBondContact O-CG 3.3Å; D766-R770 PolarHBondContact O-N 3.44Å; D766-R770 IonicContact OD2-CZ 3.53Å; D766-R770 IonicContact OD2-NH1 2.67Å; D766-R770 PolarHBondContact OD2-NH1 3.02Å; D766-G791 PolarHBondContact N-O 2.85Å; D766-L792 WeakPolarHBondContact CB-O 3.32Å
767	S	94.6	Very high	91.3	Very high	52 Å²	52	27.4 Å²	27.4	36%	0.364	15%	0.147	S	C	.	.	H	α-helix	trans	-59	-43.7	177.9	59.3	0	0	0	0	114	L765	L765-S767 VanDerWaalsContact C-N 3.33Å
768	G	95.1	Very high	91	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-72.3	-40.1	176.2	0	0	0	0	0	112.2	C740 L764 D766 R770 I771 L772	C740-G768 WeakPolarHBondContact CB-O 3.4Å; C740-G768 VanDerWaalsContact SG-C 3.52Å; C740-G768 PolarHBondContact SG-O 2.9Å; L764-G768 WeakPolarHBondContact O-CA 3.36Å; L764-G768 PolarHBondContact O-N 3.32Å; D766-G768 PolarHBondContact O-N 2.81Å; G768-R770 VanDerWaalsContact C-N 3.34Å; G768-R770 PolarHBondContact O-N 3.42Å; G768-I771 PolarHBondContact O-N 3.22Å; G768-L772 PolarHBondContact O-N 3.13Å
769	V	94.4	Very high	91	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-38.1	177.3	179.8	0	0	0	0	111.3	L764 L765 D766 I771 L772 L773 L787 L792	L764-V769 HydrophobicContact CB-CG2 3.95Å; L764-V769 HydrophobicContact CD1-CG2 4.05Å; L765-V769 WeakPolarHBondContact O-CG2 3.43Å; L765-V769 PolarHBondContact O-N 2.98Å; L765-V769 VanDerWaalsContact O-N 3.13Å; D766-V769 PolarHBondContact O-N 3.43Å; V769-I771 VanDerWaalsContact C-N 3.28Å; V769-I771 PolarHBondContact O-N 3.37Å; V769-L772 CarbonylContact O-C 3.37Å; V769-L772 WeakPolarHBondContact O-CA 3.34Å; V769-L772 WeakPolarHBondContact O-CB 3.48Å; V769-L772 PolarHBondContact O-N 3.23Å; V769-L773 HydrophobicContact CG1-CD1 3.87Å; V769-L773 HydrophobicContact CG1-CD2 4.29Å; V769-L773 HydrophobicContact CG1-CG 3.82Å; V769-L773 VanDerWaalsContact O-CG 3.3Å; V769-L773 WeakPolarHBondContact O-CG 3.33Å; V769-L773 PolarHBondContact O-N 3.45Å; V769-L787 HydrophobicContact CG1-CD1 3.78Å; V769-L787 HydrophobicContact CG1-CG 4.42Å; V769-L787 HydrophobicContact CG2-CG 4.36Å; V769-L792 HydrophobicContact CB-CD1 3.67Å; V769-L792 HydrophobicContact CG1-CD1 3.39Å; V769-L792 HydrophobicContact CG2-CD1 3.91Å
770	R	94.5	Very high	90.8	Very high	73 Å²	73	41.4 Å²	41.4	28%	0.275	21%	0.212	S	C	.	.	H	α-helix	trans	-48.2	-49.5	172.1	-78.9	-175.7	162.4	100.2	13.1	113.1	D766 G768 L772 L773 E774 S795 E799	D766-R770 WeakPolarHBondContact O-CG 3.3Å; D766-R770 PolarHBondContact O-N 3.44Å; D766-R770 IonicContact OD2-CZ 3.53Å; D766-R770 IonicContact OD2-NH1 2.67Å; D766-R770 PolarHBondContact OD2-NH1 3.02Å; G768-R770 VanDerWaalsContact C-N 3.34Å; G768-R770 PolarHBondContact O-N 3.42Å; R770-L772 VanDerWaalsContact C-N 3.31Å; R770-L772 PolarHBondContact O-N 3.05Å; R770-L773 PolarHBondContact O-N 3.41Å; R770-L773 VanDerWaalsContact O-N 3.1Å; R770-E774 PolarHBondContact O-N 2.97Å; R770-S795 PolarHBondContact NH2-OG 3.28Å; R770-E799 WeakPolarHBondContact CD-OE2 3.37Å; R770-E799 WeakPolarHBondContact CG-OE2 3.06Å; R770-E799 IonicContact CZ-OE2 2.81Å; R770-E799 IonicContact NE-OE2 2.98Å; R770-E799 PolarHBondContact NE-OE2 2.86Å; R770-E799 IonicContact NH2-OE2 3.94Å
771	I	96.6	Very high	91.2	Very high	40 Å²	40	42.4 Å²	42.4	21%	0.205	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-43.1	177.9	-62.2	166.1	0	0	0	110.2	C740 I741 K744 G768 V769 L773 E774	C740-I771 HydrophobicContact CB-CB 4.18Å; C740-I771 HydrophobicContact CB-CG2 4.29Å; I741-I771 HydrophobicContact CG1-CD1 4.24Å; I741-I771 HydrophobicContact CG1-CG2 4.09Å; K744-I771 HydrophobicContact CB-CG2 4.31Å; K744-I771 HydrophobicContact CD-CG2 4.14Å; K744-I771 VanDerWaalsContact CD-O 3.27Å; K744-I771 WeakPolarHBondContact CD-O 3.43Å; K744-I771 WeakPolarHBondContact CG-O 3.47Å; G768-I771 PolarHBondContact O-N 3.22Å; V769-I771 VanDerWaalsContact C-N 3.28Å; V769-I771 PolarHBondContact O-N 3.37Å; I771-L773 VanDerWaalsContact C-N 3.32Å; I771-L773 PolarHBondContact O-N 3.01Å; I771-E774 WeakPolarHBondContact O-CB 3.38Å; I771-E774 PolarHBondContact O-N 3.17Å
772	L	95.8	Very high	92.2	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-35.8	176	-169.2	68.1	0	0	0	112.6	C740 L743 L747 L757 L759 G768 V769 R770 E774 A775 L787	C740-L772 HydrophobicContact CB-CB 4.27Å; L743-L772 HydrophobicContact CB-CD1 3.65Å; L747-L772 HydrophobicContact CD1-CD1 3.8Å; L757-L772 HydrophobicContact CD2-CD1 4.48Å; L759-L772 HydrophobicContact CD1-CD2 3.62Å; G768-L772 PolarHBondContact O-N 3.13Å; V769-L772 CarbonylContact O-C 3.37Å; V769-L772 WeakPolarHBondContact O-CA 3.34Å; V769-L772 WeakPolarHBondContact O-CB 3.48Å; V769-L772 PolarHBondContact O-N 3.23Å; R770-L772 VanDerWaalsContact C-N 3.31Å; R770-L772 PolarHBondContact O-N 3.05Å; L772-E774 VanDerWaalsContact C-N 3.26Å; L772-E774 PolarHBondContact O-N 3.17Å; L772-A775 WeakPolarHBondContact O-CB 3.26Å; L772-A775 PolarHBondContact O-N 3.21Å; L772-L787 HydrophobicContact CD2-CD2 4.03Å
773	L	94.4	Very high	93	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-75.1	-8.1	178.9	-60.9	176	0	0	0	114	V769 R770 I771 L776 L800 R803	V769-L773 HydrophobicContact CG1-CD1 3.87Å; V769-L773 HydrophobicContact CG1-CD2 4.29Å; V769-L773 HydrophobicContact CG1-CG 3.82Å; V769-L773 VanDerWaalsContact O-CG 3.3Å; V769-L773 WeakPolarHBondContact O-CG 3.33Å; V769-L773 PolarHBondContact O-N 3.45Å; R770-L773 PolarHBondContact O-N 3.41Å; R770-L773 VanDerWaalsContact O-N 3.1Å; I771-L773 VanDerWaalsContact C-N 3.32Å; I771-L773 PolarHBondContact O-N 3.01Å; L773-L776 HydrophobicContact CD2-CD1 3.48Å; L773-L776 VanDerWaalsContact CD2-CD1 3.48Å; L773-L776 HydrophobicContact CD2-CG 4.19Å; L773-L800 HydrophobicContact CD1-CB 3.89Å; L773-L800 HydrophobicContact CD2-CD1 3.62Å; L773-R803 HydrophobicContact CB-CG 4.46Å; L773-R803 PolarHBondContact O-NH1 3.27Å; L773-R803 VanDerWaalsContact O-NH1 3.14Å
774	E	94.7	Very high	93.5	Very high	85 Å²	85	43.8 Å²	43.8	40%	0.397	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-25.2	165.9	-66.4	172.7	-158.4	0	0	111.9	K744 R770 I771 L772	K744-E774 HydrophobicContact CD-CB 3.67Å; K744-E774 HydrophobicContact CD-CG 4.38Å; K744-E774 WeakPolarHBondContact CD-OE2 3.37Å; K744-E774 WeakPolarHBondContact CE-OE2 3.27Å; K744-E774 HydrophobicContact CG-CB 4.34Å; K744-E774 IonicContact NZ-OE2 3.76Å; K744-E774 PolarHBondContact NZ-OE2 2.66Å; R770-E774 PolarHBondContact O-N 2.97Å; I771-E774 WeakPolarHBondContact O-CB 3.38Å; I771-E774 PolarHBondContact O-N 3.17Å; L772-E774 VanDerWaalsContact C-N 3.26Å; L772-E774 PolarHBondContact O-N 3.17Å
775	A	94.6	Very high	93.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-80	-28	-179.8	0	0	0	0	0	113.9	K744 L747 L748 L772 Q778 N779	K744-A775 HydrophobicContact CG-CB 4Å; L747-A775 HydrophobicContact CB-CB 3.76Å; L747-A775 HydrophobicContact CD1-CB 4.23Å; L748-A775 HydrophobicContact CD2-CB 4.2Å; L748-A775 HydrophobicContact CG-CB 4.1Å; L772-A775 WeakPolarHBondContact O-CB 3.26Å; L772-A775 PolarHBondContact O-N 3.21Å; A775-Q778 PolarHBondContact O-N 2.94Å; A775-Q778 VanDerWaalsContact O-N 3.08Å; A775-N779 WeakPolarHBondContact O-CB 3.16Å; A775-N779 PolarHBondContact O-N 2.98Å
776	L	91.6	Very high	93.7	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-41.4	-172.7	-71.6	-174.8	0	0	0	114.8	L773 Q778 L782 L800 H807	L773-L776 HydrophobicContact CD2-CD1 3.48Å; L773-L776 VanDerWaalsContact CD2-CD1 3.48Å; L773-L776 HydrophobicContact CD2-CG 4.19Å; L776-Q778 PolarHBondContact O-N 3.48Å; L776-L782 HydrophobicContact CD2-CD2 3.94Å; L776-L800 HydrophobicContact CD1-CD1 4.1Å; L776-H807 PolarHBondContact O-CD2 3.19Å
777	P	91.5	Very high	93.8	Very high	47 Å²	47	37.6 Å²	37.6	31%	0.305	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-13.5	179.9	-21.7	35.3	0	0	0	114.8	Q806	P777-Q806 HydrophobicContact CB-CB 3.88Å; P777-Q806 HydrophobicContact CG-CB 4Å; P777-Q806 VanDerWaalsContact CG-OE1 3.28Å
778	Q	91.2	Very high	93.3	Very high	136 Å²	136	36.3 Å²	36.3	64%	0.636	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-27.2	-176.5	-70.5	-179.2	72.1	0	0	112.9	L748 A775 L776	L748-Q778 HydrophobicContact CD2-CB 3.53Å; L748-Q778 HydrophobicContact CD2-CG 4.26Å; A775-Q778 PolarHBondContact O-N 2.94Å; A775-Q778 VanDerWaalsContact O-N 3.08Å; L776-Q778 PolarHBondContact O-N 3.48Å
779	N	92.1	Very high	92.6	Very high	10 Å²	10	37.4 Å²	37.4	5%	0.053	18%	0.181	C	C	.	.			trans	-67.8	146.2	173.3	-174.6	-90.6	0	0	0	110.8	L747 A775 S781 L782 H807	L747-N779 PolarHBondContact O-ND2 3.31Å; A775-N779 WeakPolarHBondContact O-CB 3.16Å; A775-N779 PolarHBondContact O-N 2.98Å; N779-S781 PolarHBondContact ND2-OG 2.99Å; N779-S781 PolarHBondContact OD1-N 3.06Å; N779-S781 PolarHBondContact OD1-OG 3.16Å; N779-L782 VanDerWaalsContact OD1-CB 3.27Å; N779-L782 WeakPolarHBondContact OD1-CB 3.33Å; N779-L782 PolarHBondContact OD1-N 2.79Å; N779-H807 PolarHBondContact O-CD2 3.29Å; N779-H807 VanDerWaalsContact O-CD2 3.31Å
780	Q	87.1	Confident	92.1	Very high	179 Å²	179	37.5 Å²	37.5	84%	0.836	18%	0.181	S	C	*	.			trans	-131.4	6.1	179.4	-60.1	-178.7	-1	0	0	112.5
781	S	91.6	Very high	91.6	Very high	31 Å²	31	35.8 Å²	35.8	22%	0.217	19%	0.186	C	C	.	.			trans	-106.8	-25.4	-172.7	64.3	0	0	0	0	113.5	I754 S755 N779 I783	I754-S781 CarbonylContact O-C 3.47Å; I754-S781 VanDerWaalsContact O-CB 3.28Å; I754-S781 WeakPolarHBondContact O-CB 3.34Å; I754-S781 PolarHBondContact O-OG 3Å; S755-S781 WeakPolarHBondContact CA-O 3.49Å; S755-S781 WeakPolarHBondContact CB-O 3.19Å; N779-S781 PolarHBondContact ND2-OG 2.99Å; N779-S781 PolarHBondContact OD1-N 3.06Å; N779-S781 PolarHBondContact OD1-OG 3.16Å; S781-I783 PolarHBondContact O-N 3.42Å
782	L	95.2	Very high	91.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.			trans	-76.6	120.8	-168.7	-165.8	65	0	0	0	112.4	I754 L757 L776 N779 Y784 L785 H807 G809 L810	I754-L782 HydrophobicContact CG2-CD1 4.5Å; L757-L782 HydrophobicContact CB-CD1 3.88Å; L776-L782 HydrophobicContact CD2-CD2 3.94Å; N779-L782 VanDerWaalsContact OD1-CB 3.27Å; N779-L782 WeakPolarHBondContact OD1-CB 3.33Å; N779-L782 PolarHBondContact OD1-N 2.79Å; L782-Y784 WeakPolarHBondContact CD1-O 3.24Å; L782-L785 HydrophobicContact CD2-CB 4.16Å; L782-L785 HydrophobicContact CD2-CD1 4.33Å; L782-L785 HydrophobicContact CD2-CD2 4.32Å; L782-H807 PolarHBondContact O-CE1 3.04Å; L782-H807 VanDerWaalsContact O-CE1 3.27Å; L782-G809 CarbonylContact O-C 3.41Å; L782-L810 HydrophobicContact CD2-CD1 4.33Å; L782-L810 HydrophobicContact CG-CD1 4.01Å; L782-L810 PolarHBondContact O-N 2.99Å
783	I	96.6	Very high	91.2	Very high	67 Å²	67	34.6 Å²	34.6	34%	0.344	19%	0.185	S	C	.	.			trans	-111.4	-35.6	-178.3	-63.9	175.3	0	0	0	110.9	S755 S781 L810 Q811 E812	S755-I783 WeakPolarHBondContact O-CA 3.22Å; S755-I783 WeakPolarHBondContact O-CB 3.47Å; S755-I783 PolarHBondContact O-N 2.78Å; S781-I783 PolarHBondContact O-N 3.42Å; I783-L810 WeakPolarHBondContact O-CD1 3.37Å; I783-Q811 HydrophobicContact CG2-CB 3.84Å; I783-Q811 VanDerWaalsContact CG2-CD 3.47Å; I783-Q811 HydrophobicContact CG2-CG 3.85Å; I783-Q811 PolarHBondContact O-N 2.85Å; I783-E812 PolarHBondContact O-N 2.9Å
784	Y	95.7	Very high	91.3	Very high	54 Å²	54	37.7 Å²	37.7	21%	0.212	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.6	177.2	174.3	-124.5	0	0	0	111.4	S755 S756 L757 Q758 L782 E812	S755-Y784 PolarHBondContact O-N 2.84Å; S756-Y784 WeakPolarHBondContact CA-O 3.44Å; L757-Y784 PolarHBondContact N-O 2.97Å; Q758-Y784 HydrophobicContact CG-CD1 4.24Å; Q758-Y784 HydrophobicContact CG-CE1 3.82Å; L782-Y784 WeakPolarHBondContact CD1-O 3.24Å; Y784-E812 WeakPolarHBondContact CA-O 3.42Å; Y784-E812 HydrophobicContact CD2-CB 3.9Å; Y784-E812 HydrophobicContact CD2-CG 3.79Å; Y784-E812 WeakPolarHBondContact CD2-O 3.49Å; Y784-E812 HydrophobicContact CE2-CG 3.9Å
785	L	96.6	Very high	91.2	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.9	175.7	179.8	57.8	0	0	0	110.3	L757 L782 L787 L810 E812 L813 N814	L757-L785 HydrophobicContact CB-CD1 4.28Å; L757-L785 HydrophobicContact CD2-CD1 4.31Å; L757-L785 HydrophobicContact CG-CD1 4.4Å; L782-L785 HydrophobicContact CD2-CB 4.16Å; L782-L785 HydrophobicContact CD2-CD1 4.33Å; L782-L785 HydrophobicContact CD2-CD2 4.32Å; L785-L787 HydrophobicContact CD1-CD2 3.75Å; L785-L787 HydrophobicContact CD2-CD1 4.08Å; L785-L787 HydrophobicContact CG-CD1 4.3Å; L785-L787 HydrophobicContact CG-CD2 4.15Å; L785-L810 HydrophobicContact CB-CD1 3.98Å; L785-E812 PolarHBondContact N-O 3.3Å; L785-E812 VanDerWaalsContact N-O 3.17Å; L785-L813 HydrophobicContact CB-CD1 4.26Å; L785-L813 HydrophobicContact CD2-CD1 4.28Å; L785-L813 HydrophobicContact CG-CD1 4.34Å; L785-N814 PolarHBondContact O-N 3.04Å
786	S	92.6	Very high	91.2	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.028	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	109.5	173.6	-174.3	0	0	0	0	112.2	L757 L759	L757-S786 PolarHBondContact O-N 3.18Å; L759-S786 PolarHBondContact N-O 3.47Å
787	L	93.4	Very high	91.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.			trans	-108.4	21.7	175	-100	154.8	0	0	0	110.7	L759 V769 L772 L785 H789 T790 N814 V815 N818	L759-L787 HydrophobicContact CB-CD2 4.4Å; L759-L787 HydrophobicContact CD1-CD2 3.94Å; V769-L787 HydrophobicContact CG1-CD1 3.78Å; V769-L787 HydrophobicContact CG1-CG 4.42Å; V769-L787 HydrophobicContact CG2-CG 4.36Å; L772-L787 HydrophobicContact CD2-CD2 4.03Å; L785-L787 HydrophobicContact CD1-CD2 3.75Å; L785-L787 HydrophobicContact CD2-CD1 4.08Å; L785-L787 HydrophobicContact CG-CD1 4.3Å; L785-L787 HydrophobicContact CG-CD2 4.15Å; L787-H789 PolarHBondContact O-N 2.85Å; L787-T790 HydrophobicContact CB-CG2 4.44Å; L787-T790 WeakPolarHBondContact O-CG2 3.49Å; L787-T790 PolarHBondContact O-N 3.23Å; L787-T790 PolarHBondContact O-OG1 2.74Å; L787-T790 VanDerWaalsContact O-OG1 3.04Å; L787-N814 CarbonylContact C-O 3.57Å; L787-N814 WeakPolarHBondContact CA-O 3.49Å; L787-N814 PolarHBondContact N-O 3.38Å; L787-V815 HydrophobicContact CB-CG1 4.21Å; L787-N818 PolarHBondContact O-ND2 3.06Å
788	M	84.8	Confident	91.6	Very high	26 Å²	26	37.5 Å²	37.5	13%	0.128	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	128.8	-178.2	175.9	172.5	167.9	0	0	111.5	C760 D761 T790 N814 A816 Y844 F845	C760-M788 WeakPolarHBondContact CA-O 3.32Å; C760-M788 HydrophobicContact CB-CB 4.18Å; C760-M788 PolarHBondContact SG-O 3.42Å; C760-M788 VanDerWaalsContact SG-O 3.35Å; D761-M788 PolarHBondContact N-O 2.69Å; D761-M788 VanDerWaalsContact N-O 3.08Å; M788-T790 VanDerWaalsContact C-N 3.32Å; M788-T790 PolarHBondContact O-N 3.11Å; M788-N814 PolarHBondContact N-O 3.3Å; M788-A816 CarbonylContact C-O 3.58Å; M788-A816 WeakPolarHBondContact CA-O 3.28Å; M788-A816 HydrophobicContact CB-CB 4.47Å; M788-A816 HydrophobicContact CG-CB 3.98Å; M788-A816 HydrophobicContact SD-CB 4.14Å; M788-Y844 HydrophobicContact CE-CE2 3.86Å; M788-Y844 HydrophobicContact SD-CE2 3.82Å; M788-Y844 PolarHBondContact SD-OH 3.5Å; M788-F845 HydrophobicContact CE-CD2 4.47Å
789	H	80	Confident	91.8	Very high	23 Å²	23	32.5 Å²	32.5	11%	0.106	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	39.9	180	-154.1	46.5	0	0	0	115.8	D761 L787 A816 Y817 R905	D761-H789 IonicContact OD1-CD2 2.7Å; D761-H789 PolarHBondContact OD1-CD2 3.04Å; L787-H789 PolarHBondContact O-N 2.85Å; H789-A816 PolarHBondContact N-O 2.75Å; H789-Y817 WeakPolarHBondContact CA-O 3.29Å; H789-Y817 HydrophobicContact CB-CD1 3.84Å; H789-Y817 HydrophobicContact CB-CE1 4.48Å; H789-Y817 HydrophobicContact CB-CG 4.35Å; H789-Y817 AromaticContact CD2-CD1 3.92Å; H789-Y817 AromaticContact CD2-CE1 3.67Å; H789-Y817 AromaticContact CE1-CD1 3.62Å; H789-Y817 AromaticContact CE1-CE1 3.11Å; H789-Y817 WeakPolarHBondContact CE1-CE1 3.48Å; H789-Y817 AromaticContact CE1-CE2 3.84Å; H789-Y817 AromaticContact CE1-CZ 3.18Å; H789-Y817 PolarHBondContact CE1-OH 2.8Å; H789-Y817 AromaticContact CG-CD1 3.4Å; H789-Y817 AromaticContact CG-CE1 3.59Å; H789-Y817 AromaticContact ND1-CD1 3.2Å; H789-Y817 WeakPolarHBondContact ND1-CD1 3.45Å; H789-Y817 AromaticContact ND1-CD2 3.97Å; H789-Y817 AromaticContact ND1-CE1 3.24Å; H789-Y817 WeakPolarHBondContact ND1-CE1 3.28Å; H789-Y817 AromaticContact ND1-CE2 3.99Å; H789-Y817 AromaticContact ND1-CG 3.53Å; H789-Y817 AromaticContact ND1-CZ 3.61Å; H789-Y817 PolarHBondContact ND1-O 3.07Å; H789-Y817 AromaticContact NE2-CE1 3.36Å; H789-Y817 WeakPolarHBondContact NE2-CE1 3.11Å; H789-Y817 AromaticContact NE2-CZ 3.74Å; H789-R905 PolarHBondContact CE1-NH2 2.91Å; H789-R905 VanDerWaalsContact CE1-NH2 3.28Å; H789-R905 PolarHBondContact NE2-NH2 2.93Å
790	T	83.1	Confident	91.9	Very high	1 Å²	1	32 Å²	32	1%	0.006	18%	0.179	C	C	.	.	S	Bend	trans	-90.3	-9.2	175.9	57.5	0	0	0	0	114.7	L759 N762 L764 L765 L787 M788 N818	L759-T790 HydrophobicContact CB-CG2 4.43Å; L759-T790 WeakPolarHBondContact O-CG2 3.32Å; N762-T790 WeakPolarHBondContact O-CA 3.5Å; L764-T790 HydrophobicContact CD1-CG2 3.65Å; L764-T790 HydrophobicContact CG-CG2 4.01Å; L764-T790 PolarHBondContact N-O 3.38Å; L764-T790 VanDerWaalsContact N-O 3.17Å; L765-T790 PolarHBondContact N-O 2.59Å; L787-T790 HydrophobicContact CB-CG2 4.44Å; L787-T790 WeakPolarHBondContact O-CG2 3.49Å; L787-T790 PolarHBondContact O-N 3.23Å; L787-T790 PolarHBondContact O-OG1 2.74Å; L787-T790 VanDerWaalsContact O-OG1 3.04Å; M788-T790 VanDerWaalsContact C-N 3.32Å; M788-T790 PolarHBondContact O-N 3.11Å; T790-N818 PolarHBondContact N-OD1 3.35Å; T790-N818 PolarHBondContact OG1-OD1 3.17Å
791	G	84.7	Confident	92.3	Very high	37 Å²	37	24.1 Å²	24.1	38%	0.381	14%	0.144	S	C	.	.			trans	88.3	24	-176.1	0	0	0	0	0	113.9	L765 D766 G793 N818	L765-G791 CarbonylContact C-O 3.59Å; D766-G791 PolarHBondContact N-O 2.85Å; G791-G793 VanDerWaalsContact C-N 3.3Å; G791-G793 PolarHBondContact O-N 2.73Å; G791-N818 PolarHBondContact N-OD1 2.97Å
792	L	92.1	Very high	92.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.			trans	-52.4	-40.7	-177.9	-175.4	75.2	0	0	0	114.2	D766 V769 G796 A797 L800 V815 N818 I820	D766-L792 WeakPolarHBondContact CB-O 3.32Å; V769-L792 HydrophobicContact CB-CD1 3.67Å; V769-L792 HydrophobicContact CG1-CD1 3.39Å; V769-L792 HydrophobicContact CG2-CD1 3.91Å; L792-G796 PolarHBondContact O-N 3.45Å; L792-G796 VanDerWaalsContact O-N 3.16Å; L792-A797 HydrophobicContact CD2-CB 4.08Å; L792-L800 HydrophobicContact CD2-CD2 4.47Å; L792-V815 HydrophobicContact CD2-CB 4.22Å; L792-V815 HydrophobicContact CD2-CG1 4.06Å; L792-N818 HydrophobicContact CB-CB 3.89Å; L792-N818 PolarHBondContact N-OD1 2.86Å; L792-N818 VanDerWaalsContact N-OD1 3.12Å; L792-I820 HydrophobicContact CD2-CD1 4.05Å
793	G	92.3	Very high	92.4	Very high	19 Å²	19	31.7 Å²	31.7	20%	0.196	17%	0.174	C	C	.	.	H	α-helix	trans	57.7	-171.8	-174.8	0	0	0	0	0	114.4	G791 S795 A797 N818	G791-G793 VanDerWaalsContact C-N 3.3Å; G791-G793 PolarHBondContact O-N 2.73Å; G793-S795 VanDerWaalsContact C-N 3.32Å; G793-S795 PolarHBondContact O-N 3.03Å; G793-A797 VanDerWaalsContact O-CB 3.26Å; G793-A797 WeakPolarHBondContact O-CB 3.33Å; G793-A797 PolarHBondContact O-N 2.87Å; G793-N818 VanDerWaalsContact CA-O 3.31Å; G793-N818 WeakPolarHBondContact CA-O 3.22Å; G793-N818 PolarHBondContact N-O 2.84Å
794	N	94.8	Very high	92.2	Very high	65 Å²	65	28.5 Å²	28.5	35%	0.348	16%	0.157	S	C	.	.	H	α-helix	trans	-61.9	-38.5	175.3	-73	8.8	0	0	0	112.7	A797 L798 A819 I820 S821 A824	N794-A797 PolarHBondContact O-N 3.47Å; N794-L798 WeakPolarHBondContact O-CG 3.2Å; N794-L798 PolarHBondContact O-N 3.41Å; N794-A819 PolarHBondContact OD1-O 2.87Å; N794-I820 WeakPolarHBondContact OD1-CA 3.41Å; N794-S821 PolarHBondContact ND2-OG 2.86Å; N794-S821 PolarHBondContact OD1-N 3.4Å; N794-S821 PolarHBondContact OD1-OG 3.03Å; N794-A824 HydrophobicContact CB-CB 4.33Å
795	S	94.1	Very high	91.9	Very high	54 Å²	54	29.2 Å²	29.2	38%	0.378	17%	0.169	S	C	.	.	H	α-helix	trans	-70.4	-43.5	-171.6	-146.1	0	0	0	0	112	R770 G793 E799	R770-S795 PolarHBondContact NH2-OG 3.28Å; G793-S795 VanDerWaalsContact C-N 3.32Å; G793-S795 PolarHBondContact O-N 3.03Å; S795-E799 PolarHBondContact O-N 2.89Å
796	G	94	Very high	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-70.8	-29.8	172.5	0	0	0	0	0	113.3	L792 L800	L792-G796 PolarHBondContact O-N 3.45Å; L792-G796 VanDerWaalsContact O-N 3.16Å; G796-L800 WeakPolarHBondContact O-CB 3.42Å; G796-L800 PolarHBondContact O-N 3.02Å
797	A	95.8	Very high	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-40.1	175.7	0	0	0	0	0	112.7	L792 G793 N794 A801 I820 A824 L828	L792-A797 HydrophobicContact CD2-CB 4.08Å; G793-A797 VanDerWaalsContact O-CB 3.26Å; G793-A797 WeakPolarHBondContact O-CB 3.33Å; G793-A797 PolarHBondContact O-N 2.87Å; N794-A797 PolarHBondContact O-N 3.47Å; A797-A801 PolarHBondContact O-N 3.25Å; A797-A801 VanDerWaalsContact O-N 3.09Å; A797-I820 HydrophobicContact CB-CD1 4.03Å; A797-I820 HydrophobicContact CB-CG1 4.05Å; A797-I820 HydrophobicContact CB-CG2 3.79Å; A797-A824 HydrophobicContact CB-CB 4.14Å; A797-L828 HydrophobicContact CB-CD1 3.76Å; A797-L828 HydrophobicContact CB-CG 4.43Å; A797-L828 WeakPolarHBondContact O-CD2 3.09Å
798	L	95.9	Very high	91.5	Very high	79 Å²	79	38.6 Å²	38.6	41%	0.414	22%	0.219	S	C	.	.	H	α-helix	trans	-68.5	-45.1	175.1	-69.3	169.8	0	0	0	111.6	N794 L800 A801 E802 A824 A827	N794-L798 WeakPolarHBondContact O-CG 3.2Å; N794-L798 PolarHBondContact O-N 3.41Å; L798-L800 VanDerWaalsContact C-N 3.28Å; L798-L800 PolarHBondContact O-N 2.91Å; L798-A801 WeakPolarHBondContact O-CA 3.17Å; L798-A801 WeakPolarHBondContact O-CB 3.44Å; L798-A801 PolarHBondContact O-N 3.4Å; L798-E802 PolarHBondContact O-N 3.12Å; L798-A824 HydrophobicContact CD2-CB 4.27Å; L798-A824 HydrophobicContact CG-CB 4.23Å; L798-A827 HydrophobicContact CD2-CB 3.87Å
799	E	94.8	Very high	91.9	Very high	30 Å²	30	38.2 Å²	38.2	14%	0.14	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-31.4	177.6	-169	166.5	151.3	0	0	112.4	R770 S795 E802 R803	R770-E799 WeakPolarHBondContact CD-OE2 3.37Å; R770-E799 WeakPolarHBondContact CG-OE2 3.06Å; R770-E799 IonicContact CZ-OE2 2.81Å; R770-E799 IonicContact NE-OE2 2.98Å; R770-E799 PolarHBondContact NE-OE2 2.86Å; R770-E799 IonicContact NH2-OE2 3.94Å; S795-E799 PolarHBondContact O-N 2.89Å; E799-E802 PolarHBondContact O-N 3.06Å; E799-R803 HydrophobicContact CG-CG 4.39Å; E799-R803 WeakPolarHBondContact O-CB 3.47Å; E799-R803 WeakPolarHBondContact O-CG 3.22Å; E799-R803 PolarHBondContact O-N 2.89Å; E799-R803 IonicContact OE1-CZ 2.72Å; E799-R803 IonicContact OE1-NH1 3.71Å; E799-R803 IonicContact OE1-NH2 3.79Å; E799-R803 PolarHBondContact OE1-NH2 2.98Å
800	L	95.4	Very high	92.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63	-43.3	168.9	175.2	59.7	0	0	0	111.7	L773 L776 L792 G796 L798 E802 R803 L804 L813 V815 L828	L773-L800 HydrophobicContact CD1-CB 3.89Å; L773-L800 HydrophobicContact CD2-CD1 3.62Å; L776-L800 HydrophobicContact CD1-CD1 4.1Å; L792-L800 HydrophobicContact CD2-CD2 4.47Å; G796-L800 WeakPolarHBondContact O-CB 3.42Å; G796-L800 PolarHBondContact O-N 3.02Å; L798-L800 VanDerWaalsContact C-N 3.28Å; L798-L800 PolarHBondContact O-N 2.91Å; L800-E802 VanDerWaalsContact C-N 3.33Å; L800-E802 PolarHBondContact O-N 2.98Å; L800-R803 PolarHBondContact O-N 3.42Å; L800-L804 HydrophobicContact CD1-CD1 4.12Å; L800-L804 HydrophobicContact CD1-CD2 4.24Å; L800-L804 HydrophobicContact CD1-CG 3.83Å; L800-L804 HydrophobicContact CG-CD1 4.08Å; L800-L804 HydrophobicContact CG-CG 4.27Å; L800-L804 WeakPolarHBondContact O-CB 3.35Å; L800-L804 WeakPolarHBondContact O-CG 3.48Å; L800-L804 PolarHBondContact O-N 3.33Å; L800-L813 HydrophobicContact CD1-CD2 4.46Å; L800-L813 HydrophobicContact CD2-CD1 4.3Å; L800-L813 HydrophobicContact CD2-CD2 4Å; L800-L813 HydrophobicContact CG-CD2 4.4Å; L800-V815 HydrophobicContact CD2-CG1 3.66Å; L800-L828 HydrophobicContact CB-CD2 4.11Å; L800-L828 HydrophobicContact CD2-CD2 3.81Å; L800-L828 HydrophobicContact CG-CD2 3.75Å
801	A	95.4	Very high	93.1	Very high	14 Å²	14	40.9 Å²	40.9	12%	0.116	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-36.6	174.3	0	0	0	0	0	112.8	A797 L798 P805 A827 L828 A831	A797-A801 PolarHBondContact O-N 3.25Å; A797-A801 VanDerWaalsContact O-N 3.09Å; L798-A801 WeakPolarHBondContact O-CA 3.17Å; L798-A801 WeakPolarHBondContact O-CB 3.44Å; L798-A801 PolarHBondContact O-N 3.4Å; A801-P805 WeakPolarHBondContact O-CD 3.47Å; A801-A827 HydrophobicContact CB-CB 4.35Å; A801-L828 HydrophobicContact CB-CD2 4.16Å; A801-A831 HydrophobicContact CB-CB 3.84Å; A801-A831 WeakPolarHBondContact O-CB 3.43Å
802	E	94.4	Very high	93.5	Very high	134 Å²	134	41.7 Å²	41.7	63%	0.626	23%	0.228	S	C	*	.	H	α-helix	trans	-70.9	-32	175.6	-68.8	176.5	-177.7	0	0	113.8	L798 E799 L800 Q806	L798-E802 PolarHBondContact O-N 3.12Å; E799-E802 PolarHBondContact O-N 3.06Å; L800-E802 VanDerWaalsContact C-N 3.33Å; L800-E802 PolarHBondContact O-N 2.98Å; E802-Q806 PolarHBondContact O-NE2 2.78Å; E802-Q806 VanDerWaalsContact O-NE2 3.09Å
803	R	93.3	Very high	93.7	Very high	55 Å²	55	41.7 Å²	41.7	21%	0.208	23%	0.228	C	C	.	.	H	α-helix	trans	-88.2	-29.3	-178.2	-65.4	-74.8	174.6	66.5	20.3	113.3	L773 E799 L800 Q806	L773-R803 HydrophobicContact CB-CG 4.46Å; L773-R803 PolarHBondContact O-NH1 3.27Å; L773-R803 VanDerWaalsContact O-NH1 3.14Å; E799-R803 HydrophobicContact CG-CG 4.39Å; E799-R803 WeakPolarHBondContact O-CB 3.47Å; E799-R803 WeakPolarHBondContact O-CG 3.22Å; E799-R803 PolarHBondContact O-N 2.89Å; E799-R803 IonicContact OE1-CZ 2.72Å; E799-R803 IonicContact OE1-NH1 3.71Å; E799-R803 IonicContact OE1-NH2 3.79Å; E799-R803 PolarHBondContact OE1-NH2 2.98Å; L800-R803 PolarHBondContact O-N 3.42Å; R803-Q806 VanDerWaalsContact O-CB 3.32Å; R803-Q806 WeakPolarHBondContact O-CB 3.34Å; R803-Q806 PolarHBondContact O-N 2.83Å; R803-Q806 VanDerWaalsContact O-N 3.08Å
804	L	92.4	Very high	93.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-52	-48.9	-177.2	-89	170.4	0	0	0	113.8	L800 Q806 H807 L810 L813 L828 A831 H835 I838	L800-L804 HydrophobicContact CD1-CD1 4.12Å; L800-L804 HydrophobicContact CD1-CD2 4.24Å; L800-L804 HydrophobicContact CD1-CG 3.83Å; L800-L804 HydrophobicContact CG-CD1 4.08Å; L800-L804 HydrophobicContact CG-CG 4.27Å; L800-L804 WeakPolarHBondContact O-CB 3.35Å; L800-L804 WeakPolarHBondContact O-CG 3.48Å; L800-L804 PolarHBondContact O-N 3.33Å; L804-Q806 PolarHBondContact O-N 2.99Å; L804-H807 PolarHBondContact O-N 3.04Å; L804-L810 HydrophobicContact CD2-CD2 4.03Å; L804-L813 HydrophobicContact CD1-CD2 3.83Å; L804-L813 HydrophobicContact CD2-CD2 4.37Å; L804-L828 HydrophobicContact CD1-CD2 4.33Å; L804-A831 HydrophobicContact CB-CB 4.48Å; L804-A831 HydrophobicContact CD1-CB 4.4Å; L804-H835 PolarHBondContact O-CD2 3.03Å; L804-H835 VanDerWaalsContact O-CD2 3.24Å; L804-I838 HydrophobicContact CD2-CD1 3.85Å
805	P	90.9	Very high	93.6	Very high	70 Å²	70	38 Å²	38	46%	0.455	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-61.9	-10.3	-179.5	-25.2	35.6	0	0	0	115.6	A801	A801-P805 WeakPolarHBondContact O-CD 3.47Å
806	Q	90.9	Very high	93.1	Very high	103 Å²	103	35.5 Å²	35.5	48%	0.481	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-88.6	-10.5	178.6	-48.2	176.7	30.1	0	0	112	P777 E802 R803 L804	P777-Q806 HydrophobicContact CB-CB 3.88Å; P777-Q806 HydrophobicContact CG-CB 4Å; P777-Q806 VanDerWaalsContact CG-OE1 3.28Å; E802-Q806 PolarHBondContact O-NE2 2.78Å; E802-Q806 VanDerWaalsContact O-NE2 3.09Å; R803-Q806 VanDerWaalsContact O-CB 3.32Å; R803-Q806 WeakPolarHBondContact O-CB 3.34Å; R803-Q806 PolarHBondContact O-N 2.83Å; R803-Q806 VanDerWaalsContact O-N 3.08Å; L804-Q806 PolarHBondContact O-N 2.99Å
807	H	92.4	Very high	92.5	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.019	20%	0.196	C	C	.	.			trans	-109.3	159	176	-177.5	-108.5	0	0	0	110.6	L776 N779 L782 L804 G809 L810 H835	L776-H807 PolarHBondContact O-CD2 3.19Å; N779-H807 PolarHBondContact O-CD2 3.29Å; N779-H807 VanDerWaalsContact O-CD2 3.31Å; L782-H807 PolarHBondContact O-CE1 3.04Å; L782-H807 VanDerWaalsContact O-CE1 3.27Å; L804-H807 PolarHBondContact O-N 3.04Å; H807-G809 PolarHBondContact CE1-N 3.12Å; H807-G809 VanDerWaalsContact CE1-N 3.34Å; H807-L810 PolarHBondContact CE1-N 3Å; H807-L810 PolarHBondContact ND1-N 3.49Å; H807-H835 AromaticContact ND1-NE2 3.62Å; H807-H835 PolarHBondContact O-NE2 2.84Å
808	T	90.2	Very high	92	Very high	96 Å²	96	38.4 Å²	38.4	59%	0.589	20%	0.198	S	C	*	.			trans	-136.2	-7.9	-172.4	58.7	0	0	0	0	115.1	P836 T837	T808-P836 HydrophobicContact CG2-CG 4.27Å; T808-T837 VanDerWaalsContact O-CG2 3.32Å; T808-T837 WeakPolarHBondContact O-CG2 3.37Å; T808-T837 PolarHBondContact O-OG1 2.89Å
809	G	92.4	Very high	91.6	Very high	19 Å²	19	37.8 Å²	37.8	20%	0.196	20%	0.204	C	C	.	.			trans	-96.2	-18.7	-175.3	0	0	0	0	0	116.4	L782 H807	L782-G809 CarbonylContact O-C 3.41Å; H807-G809 PolarHBondContact CE1-N 3.12Å; H807-G809 VanDerWaalsContact CE1-N 3.34Å
810	L	95.1	Very high	91.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.			trans	-73	129.8	-168	-157.5	75	0	0	0	111.4	L782 I783 L785 L804 H807 L813 H835 T837 I838	L782-L810 HydrophobicContact CD2-CD1 4.33Å; L782-L810 HydrophobicContact CG-CD1 4.01Å; L782-L810 PolarHBondContact O-N 2.99Å; I783-L810 WeakPolarHBondContact O-CD1 3.37Å; L785-L810 HydrophobicContact CB-CD1 3.98Å; L804-L810 HydrophobicContact CD2-CD2 4.03Å; H807-L810 PolarHBondContact CE1-N 3Å; H807-L810 PolarHBondContact ND1-N 3.49Å; L810-L813 HydrophobicContact CD2-CB 3.99Å; L810-L813 HydrophobicContact CD2-CD1 4.28Å; L810-H835 PolarHBondContact O-CE1 3.22Å; L810-T837 CarbonylContact O-C 3.13Å; L810-T837 WeakPolarHBondContact O-CB 3.38Å; L810-T837 PolarHBondContact O-OG1 3.31Å; L810-T837 VanDerWaalsContact O-OG1 3.04Å; L810-I838 HydrophobicContact CB-CG1 4.24Å; L810-I838 HydrophobicContact CD2-CD1 4.12Å; L810-I838 HydrophobicContact CD2-CG1 4.48Å; L810-I838 WeakPolarHBondContact O-CA 3.25Å; L810-I838 WeakPolarHBondContact O-CG1 3.5Å; L810-I838 PolarHBondContact O-N 2.72Å; L810-I838 VanDerWaalsContact O-N 3.16Å
811	Q	94.6	Very high	91.4	Very high	79 Å²	79	37.5 Å²	37.5	37%	0.369	21%	0.206	S	C	.	.			trans	-109.2	-35.4	-178.8	-69.5	172.1	16.9	0	0	112.2	I783 T837 I838 H839 T840	I783-Q811 HydrophobicContact CG2-CB 3.84Å; I783-Q811 VanDerWaalsContact CG2-CD 3.47Å; I783-Q811 HydrophobicContact CG2-CG 3.85Å; I783-Q811 PolarHBondContact O-N 2.85Å; Q811-T837 WeakPolarHBondContact CA-O 3.46Å; Q811-I838 WeakPolarHBondContact O-CA 3.44Å; Q811-H839 PolarHBondContact O-N 2.77Å; Q811-H839 PolarHBondContact O-ND1 3.21Å; Q811-T840 PolarHBondContact O-N 2.92Å
812	E	93	Very high	91.3	Very high	54 Å²	54	39.6 Å²	39.6	25%	0.252	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	129	-179.4	179.6	155.9	141.6	0	0	112	I783 Y784 L785 T840 H842	I783-E812 PolarHBondContact O-N 2.9Å; Y784-E812 WeakPolarHBondContact CA-O 3.42Å; Y784-E812 HydrophobicContact CD2-CB 3.9Å; Y784-E812 HydrophobicContact CD2-CG 3.79Å; Y784-E812 WeakPolarHBondContact CD2-O 3.49Å; Y784-E812 HydrophobicContact CE2-CG 3.9Å; L785-E812 PolarHBondContact N-O 3.3Å; L785-E812 VanDerWaalsContact N-O 3.17Å; E812-T840 HydrophobicContact CG-CG2 3.98Å; E812-T840 WeakPolarHBondContact OE2-CB 3.34Å; E812-T840 WeakPolarHBondContact OE2-CG2 2.95Å; E812-T840 PolarHBondContact OE2-OG1 3.4Å; E812-H842 VanDerWaalsContact CD-NE2 3.35Å; E812-H842 IonicContact OE1-CD2 3.89Å; E812-H842 IonicContact OE1-CE1 2.8Å; E812-H842 IonicContact OE1-NE2 3.92Å; E812-H842 PolarHBondContact OE1-NE2 3.04Å
813	L	95.4	Very high	91.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.2	-178.5	175.5	59.1	0	0	0	109.8	L785 L800 L804 L810 V815 T840 L841 H842	L785-L813 HydrophobicContact CB-CD1 4.26Å; L785-L813 HydrophobicContact CD2-CD1 4.28Å; L785-L813 HydrophobicContact CG-CD1 4.34Å; L800-L813 HydrophobicContact CD1-CD2 4.46Å; L800-L813 HydrophobicContact CD2-CD1 4.3Å; L800-L813 HydrophobicContact CD2-CD2 4Å; L800-L813 HydrophobicContact CG-CD2 4.4Å; L804-L813 HydrophobicContact CD1-CD2 3.83Å; L804-L813 HydrophobicContact CD2-CD2 4.37Å; L810-L813 HydrophobicContact CD2-CB 3.99Å; L810-L813 HydrophobicContact CD2-CD1 4.28Å; L813-V815 HydrophobicContact CD1-CG1 3.92Å; L813-V815 HydrophobicContact CG-CG1 4.13Å; L813-T840 PolarHBondContact N-O 3.06Å; L813-T840 VanDerWaalsContact N-O 3.09Å; L813-L841 HydrophobicContact CB-CD1 4.13Å; L813-L841 HydrophobicContact CD2-CD1 3.87Å; L813-L841 HydrophobicContact CG-CD1 3.94Å; L813-L841 WeakPolarHBondContact O-CA 3.36Å; L813-H842 PolarHBondContact O-CD2 2.85Å; L813-H842 PolarHBondContact O-N 3.15Å
814	N	91.3	Very high	91.4	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.043	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.5	174.4	-168.1	-23.6	0	0	0	111.4	L785 L787 M788 A816 H842 Y844	L785-N814 PolarHBondContact O-N 3.04Å; L787-N814 CarbonylContact C-O 3.57Å; L787-N814 WeakPolarHBondContact CA-O 3.49Å; L787-N814 PolarHBondContact N-O 3.38Å; M788-N814 PolarHBondContact N-O 3.3Å; N814-A816 WeakPolarHBondContact OD1-CB 3.42Å; N814-A816 PolarHBondContact OD1-N 3.45Å; N814-H842 HydrophobicContact CB-CB 4.06Å; N814-H842 WeakPolarHBondContact OD1-CB 3.47Å; N814-Y844 PolarHBondContact ND2-OH 3.19Å
815	V	94.6	Very high	91.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.205	C	C	.	.			trans	-124	26.1	175.8	-66.5	0	0	0	0	111.4	L787 L792 L800 L813 N818 I820 L828 L841 H842 L843 N846	L787-V815 HydrophobicContact CB-CG1 4.21Å; L792-V815 HydrophobicContact CD2-CB 4.22Å; L792-V815 HydrophobicContact CD2-CG1 4.06Å; L800-V815 HydrophobicContact CD2-CG1 3.66Å; L813-V815 HydrophobicContact CD1-CG1 3.92Å; L813-V815 HydrophobicContact CG-CG1 4.13Å; V815-N818 PolarHBondContact O-ND2 2.98Å; V815-I820 HydrophobicContact CB-CD1 4.03Å; V815-I820 HydrophobicContact CG2-CD1 3.95Å; V815-I820 WeakPolarHBondContact O-CD1 3.45Å; V815-L828 HydrophobicContact CG2-CD1 4.07Å; V815-L841 HydrophobicContact CG2-CD1 4.09Å; V815-H842 CarbonylContact C-O 3.55Å; V815-H842 WeakPolarHBondContact CG2-O 3.35Å; V815-H842 PolarHBondContact N-O 3.41Å; V815-H842 VanDerWaalsContact N-O 3.11Å; V815-L843 HydrophobicContact CG2-CD2 3.96Å; V815-N846 PolarHBondContact O-ND2 3.47Å
816	A	83.4	Confident	91.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	154.8	178.1	0	0	0	0	0	112.9	M788 H789 N814 N818 H842 Y844	M788-A816 CarbonylContact C-O 3.58Å; M788-A816 WeakPolarHBondContact CA-O 3.28Å; M788-A816 HydrophobicContact CB-CB 4.47Å; M788-A816 HydrophobicContact CG-CB 3.98Å; M788-A816 HydrophobicContact SD-CB 4.14Å; H789-A816 PolarHBondContact N-O 2.75Å; N814-A816 WeakPolarHBondContact OD1-CB 3.42Å; N814-A816 PolarHBondContact OD1-N 3.45Å; A816-N818 VanDerWaalsContact C-N 3.35Å; A816-N818 PolarHBondContact O-N 3.37Å; A816-N818 PolarHBondContact O-ND2 3.28Å; A816-H842 HydrophobicContact CB-CB 4.49Å; A816-H842 PolarHBondContact N-O 2.84Å; A816-Y844 CarbonylContact C-O 3.53Å; A816-Y844 WeakPolarHBondContact CA-O 3.47Å; A816-Y844 HydrophobicContact CB-CD1 4.11Å; A816-Y844 HydrophobicContact CB-CD2 3.52Å; A816-Y844 HydrophobicContact CB-CE1 3.92Å; A816-Y844 HydrophobicContact CB-CE2 3.28Å; A816-Y844 HydrophobicContact CB-CG 3.9Å; A816-Y844 VanDerWaalsContact CB-CZ 3.47Å; A816-Y844 VanDerWaalsContact CB-O 3.28Å; A816-Y844 WeakPolarHBondContact CB-O 3.34Å
817	Y	81.4	Confident	92	Very high	56 Å²	56	32.2 Å²	32.2	22%	0.22	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	40.5	174.6	-163.3	-154.9	0	0	0	116	H789 Y844 F845 Q909	H789-Y817 WeakPolarHBondContact CA-O 3.29Å; H789-Y817 HydrophobicContact CB-CD1 3.84Å; H789-Y817 HydrophobicContact CB-CE1 4.48Å; H789-Y817 HydrophobicContact CB-CG 4.35Å; H789-Y817 AromaticContact CD2-CD1 3.92Å; H789-Y817 AromaticContact CD2-CE1 3.67Å; H789-Y817 AromaticContact CE1-CD1 3.62Å; H789-Y817 AromaticContact CE1-CE1 3.11Å; H789-Y817 WeakPolarHBondContact CE1-CE1 3.48Å; H789-Y817 AromaticContact CE1-CE2 3.84Å; H789-Y817 AromaticContact CE1-CZ 3.18Å; H789-Y817 PolarHBondContact CE1-OH 2.8Å; H789-Y817 AromaticContact CG-CD1 3.4Å; H789-Y817 AromaticContact CG-CE1 3.59Å; H789-Y817 AromaticContact ND1-CD1 3.2Å; H789-Y817 WeakPolarHBondContact ND1-CD1 3.45Å; H789-Y817 AromaticContact ND1-CD2 3.97Å; H789-Y817 AromaticContact ND1-CE1 3.24Å; H789-Y817 WeakPolarHBondContact ND1-CE1 3.28Å; H789-Y817 AromaticContact ND1-CE2 3.99Å; H789-Y817 AromaticContact ND1-CG 3.53Å; H789-Y817 AromaticContact ND1-CZ 3.61Å; H789-Y817 PolarHBondContact ND1-O 3.07Å; H789-Y817 AromaticContact NE2-CE1 3.36Å; H789-Y817 WeakPolarHBondContact NE2-CE1 3.11Å; H789-Y817 AromaticContact NE2-CZ 3.74Å; Y817-Y844 PolarHBondContact N-O 2.75Å; Y817-F845 HydrophobicContact CD2-CB 3.92Å; Y817-F845 WeakPolarHBondContact CD2-O 3.22Å; Y817-F845 HydrophobicContact CG-CB 3.88Å; Y817-F845 HydrophobicContact CG-CD2 4.39Å; Y817-Q909 HydrophobicContact CE1-CG 3.92Å; Y817-Q909 WeakPolarHBondContact OH-CG 3.41Å; Y817-Q909 PolarHBondContact OH-NE2 3.43Å
818	N	84.9	Confident	92.1	Very high	5 Å²	5	32 Å²	32	3%	0.027	18%	0.182	C	C	.	.	S	Bend	trans	-109.3	7.2	-174.5	-92.2	-50.6	0	0	0	115.5	L787 T790 G791 L792 G793 V815 A816 I820 N846	L787-N818 PolarHBondContact O-ND2 3.06Å; T790-N818 PolarHBondContact N-OD1 3.35Å; T790-N818 PolarHBondContact OG1-OD1 3.17Å; G791-N818 PolarHBondContact N-OD1 2.97Å; L792-N818 HydrophobicContact CB-CB 3.89Å; L792-N818 PolarHBondContact N-OD1 2.86Å; L792-N818 VanDerWaalsContact N-OD1 3.12Å; G793-N818 VanDerWaalsContact CA-O 3.31Å; G793-N818 WeakPolarHBondContact CA-O 3.22Å; G793-N818 PolarHBondContact N-O 2.84Å; V815-N818 PolarHBondContact O-ND2 2.98Å; A816-N818 VanDerWaalsContact C-N 3.35Å; A816-N818 PolarHBondContact O-N 3.37Å; A816-N818 PolarHBondContact O-ND2 3.28Å; N818-I820 VanDerWaalsContact C-N 3.31Å; N818-I820 HydrophobicContact CB-CD1 3.94Å; N818-I820 HydrophobicContact CB-CG1 3.76Å; N818-N846 WeakPolarHBondContact CA-OD1 3.45Å; N818-N846 PolarHBondContact N-OD1 3.46Å
819	A	87.6	Confident	92.3	Very high	67 Å²	67	27.4 Å²	27.4	55%	0.554	15%	0.154	S	C	*	.			trans	60.9	35.8	-172.6	0	0	0	0	0	114	N794 N846	N794-A819 PolarHBondContact OD1-O 2.87Å; A819-N846 PolarHBondContact N-OD1 2.9Å
820	I	93.3	Very high	92.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.			trans	-78.6	124.5	174.4	-50.6	173.5	0	0	0	109.5	L792 N794 A797 V815 N818 A824 A825 L828 L843 N846 P847	L792-I820 HydrophobicContact CD2-CD1 4.05Å; N794-I820 WeakPolarHBondContact OD1-CA 3.41Å; A797-I820 HydrophobicContact CB-CD1 4.03Å; A797-I820 HydrophobicContact CB-CG1 4.05Å; A797-I820 HydrophobicContact CB-CG2 3.79Å; V815-I820 HydrophobicContact CB-CD1 4.03Å; V815-I820 HydrophobicContact CG2-CD1 3.95Å; V815-I820 WeakPolarHBondContact O-CD1 3.45Å; N818-I820 VanDerWaalsContact C-N 3.31Å; N818-I820 HydrophobicContact CB-CD1 3.94Å; N818-I820 HydrophobicContact CB-CG1 3.76Å; I820-A824 HydrophobicContact CG2-CB 3.61Å; I820-A825 HydrophobicContact CG2-CB 4.29Å; I820-L828 HydrophobicContact CD1-CD1 4.08Å; I820-L843 HydrophobicContact CD1-CD2 4.21Å; I820-N846 HydrophobicContact CB-CB 4.3Å; I820-N846 WeakPolarHBondContact CG1-OD1 3.2Å; I820-N846 PolarHBondContact N-OD1 3.13Å; I820-N846 WeakPolarHBondContact O-CB 3.45Å; I820-P847 VanDerWaalsContact O-CD 3.26Å; I820-P847 WeakPolarHBondContact O-CD 3.25Å; I820-P847 WeakPolarHBondContact O-CG 3.39Å
821	S	93.4	Very high	92.3	Very high	24 Å²	24	28.5 Å²	28.5	17%	0.168	16%	0.156	C	C	.	.			trans	-77.5	170.3	174.6	72	0	0	0	0	112.5	N794 E823 A824 A825	N794-S821 PolarHBondContact ND2-OG 2.86Å; N794-S821 PolarHBondContact OD1-N 3.4Å; N794-S821 PolarHBondContact OD1-OG 3.03Å; S821-E823 VanDerWaalsContact C-N 3.29Å; S821-E823 WeakPolarHBondContact CB-OE2 3.4Å; S821-E823 PolarHBondContact O-N 3.45Å; S821-E823 PolarHBondContact OG-OE2 3.09Å; S821-A824 PolarHBondContact O-N 3.03Å; S821-A825 WeakPolarHBondContact O-CB 3.43Å; S821-A825 PolarHBondContact O-N 3.43Å
822	E	92.9	Very high	92.2	Very high	58 Å²	58	24.7 Å²	24.7	27%	0.271	14%	0.139	S	C	.	.	H	α-helix	trans	-60.8	-36.3	-174.3	-53.4	-160.9	157.8	0	0	113.1	A825 V826 I848 T849	E822-A825 PolarHBondContact O-N 3.43Å; E822-V826 WeakPolarHBondContact O-CB 3.47Å; E822-V826 VanDerWaalsContact O-CG2 3.32Å; E822-V826 WeakPolarHBondContact O-CG2 3.18Å; E822-V826 PolarHBondContact O-N 2.87Å; E822-I848 HydrophobicContact CG-CG2 4.23Å; E822-T849 WeakPolarHBondContact OE1-CA 3.3Å; E822-T849 VanDerWaalsContact OE1-CB 3.24Å; E822-T849 WeakPolarHBondContact OE1-CB 3.26Å; E822-T849 WeakPolarHBondContact OE1-CG2 3.41Å; E822-T849 PolarHBondContact OE1-N 3.26Å; E822-T849 PolarHBondContact OE1-OG1 3.41Å
823	E	93.7	Very high	92	Very high	136 Å²	136	23.9 Å²	23.9	64%	0.636	13%	0.133	S	C	*	.	H	α-helix	trans	-66.2	-44.1	-179.6	-50.9	79.2	-174.8	0	0	111.3	S821 V826 A827	S821-E823 VanDerWaalsContact C-N 3.29Å; S821-E823 WeakPolarHBondContact CB-OE2 3.4Å; S821-E823 PolarHBondContact O-N 3.45Å; S821-E823 PolarHBondContact OG-OE2 3.09Å; E823-V826 PolarHBondContact O-N 3.14Å; E823-A827 PolarHBondContact O-N 3Å; E823-A827 VanDerWaalsContact O-N 3.11Å
824	A	95.6	Very high	91.7	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-72.8	-32.2	176.3	0	0	0	0	0	112	N794 A797 L798 I820 S821 A827 L828	N794-A824 HydrophobicContact CB-CB 4.33Å; A797-A824 HydrophobicContact CB-CB 4.14Å; L798-A824 HydrophobicContact CD2-CB 4.27Å; L798-A824 HydrophobicContact CG-CB 4.23Å; I820-A824 HydrophobicContact CG2-CB 3.61Å; S821-A824 PolarHBondContact O-N 3.03Å; A824-A827 PolarHBondContact O-N 3.3Å; A824-L828 PolarHBondContact O-N 3.21Å; A824-L828 VanDerWaalsContact O-N 3.08Å
825	A	95.8	Very high	91.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67	-38.4	172.1	0	0	0	0	0	112.2	I820 S821 E822 L828 V829 L843 I848 L856	I820-A825 HydrophobicContact CG2-CB 4.29Å; S821-A825 WeakPolarHBondContact O-CB 3.43Å; S821-A825 PolarHBondContact O-N 3.43Å; E822-A825 PolarHBondContact O-N 3.43Å; A825-L828 PolarHBondContact O-N 2.79Å; A825-V829 WeakPolarHBondContact O-CG2 3.44Å; A825-V829 PolarHBondContact O-N 3Å; A825-L843 HydrophobicContact CB-CD1 4.14Å; A825-L843 HydrophobicContact CB-CD2 4.1Å; A825-I848 HydrophobicContact CB-CD1 3.95Å; A825-L856 HydrophobicContact CB-CD1 3.98Å; A825-L856 HydrophobicContact CB-CD2 4.23Å
826	V	94.8	Very high	91.4	Very high	37 Å²	37	33.7 Å²	33.7	22%	0.224	19%	0.185	C	C	.	.	H	α-helix	trans	-62.2	-47.4	172.9	163.4	0	0	0	0	111	E822 E823 L828 V829 D830 L856	E822-V826 WeakPolarHBondContact O-CB 3.47Å; E822-V826 VanDerWaalsContact O-CG2 3.32Å; E822-V826 WeakPolarHBondContact O-CG2 3.18Å; E822-V826 PolarHBondContact O-N 2.87Å; E823-V826 PolarHBondContact O-N 3.14Å; V826-L828 VanDerWaalsContact C-N 3.32Å; V826-L828 PolarHBondContact O-N 3.13Å; V826-V829 PolarHBondContact O-N 3.16Å; V826-V829 VanDerWaalsContact O-N 3.16Å; V826-D830 PolarHBondContact O-N 2.97Å; V826-L856 HydrophobicContact CB-CD2 4.36Å; V826-L856 HydrophobicContact CG2-CD2 3.67Å
827	A	95.7	Very high	91.8	Very high	30 Å²	30	35.9 Å²	35.9	25%	0.248	20%	0.199	C	C	.	.	H	α-helix	trans	-58.9	-41.8	177.7	0	0	0	0	0	112.3	L798 A801 E823 A824 D830 A831	L798-A827 HydrophobicContact CD2-CB 3.87Å; A801-A827 HydrophobicContact CB-CB 4.35Å; E823-A827 PolarHBondContact O-N 3Å; E823-A827 VanDerWaalsContact O-N 3.11Å; A824-A827 PolarHBondContact O-N 3.3Å; A827-D830 PolarHBondContact O-N 3.45Å; A827-A831 WeakPolarHBondContact O-CB 3.31Å; A827-A831 PolarHBondContact O-N 3.49Å
828	L	95.6	Very high	92.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.4	-40.9	174.1	-79.4	170.4	0	0	0	113.3	A797 L800 A801 L804 V815 I820 A824 A825 V826 D830 C832 L841 L843	A797-L828 HydrophobicContact CB-CD1 3.76Å; A797-L828 HydrophobicContact CB-CG 4.43Å; A797-L828 WeakPolarHBondContact O-CD2 3.09Å; L800-L828 HydrophobicContact CB-CD2 4.11Å; L800-L828 HydrophobicContact CD2-CD2 3.81Å; L800-L828 HydrophobicContact CG-CD2 3.75Å; A801-L828 HydrophobicContact CB-CD2 4.16Å; L804-L828 HydrophobicContact CD1-CD2 4.33Å; V815-L828 HydrophobicContact CG2-CD1 4.07Å; I820-L828 HydrophobicContact CD1-CD1 4.08Å; A824-L828 PolarHBondContact O-N 3.21Å; A824-L828 VanDerWaalsContact O-N 3.08Å; A825-L828 PolarHBondContact O-N 2.79Å; V826-L828 VanDerWaalsContact C-N 3.32Å; V826-L828 PolarHBondContact O-N 3.13Å; L828-D830 VanDerWaalsContact C-N 3.34Å; L828-C832 WeakPolarHBondContact O-CB 3.12Å; L828-C832 PolarHBondContact O-N 2.88Å; L828-C832 PolarHBondContact O-SG 2.68Å; L828-L841 HydrophobicContact CB-CD2 4.35Å; L828-L843 HydrophobicContact CD1-CD2 4.36Å
829	V	94.8	Very high	92.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.5	-41.7	176.3	167.3	0	0	0	0	111	A825 V826 C832 R833 L841 L843 L856 R859 V873	A825-V829 WeakPolarHBondContact O-CG2 3.44Å; A825-V829 PolarHBondContact O-N 3Å; V826-V829 PolarHBondContact O-N 3.16Å; V826-V829 VanDerWaalsContact O-N 3.16Å; V829-C832 PolarHBondContact O-N 2.94Å; V829-R833 WeakPolarHBondContact O-CD 3.19Å; V829-R833 VanDerWaalsContact O-CG 3.25Å; V829-R833 WeakPolarHBondContact O-CG 3.37Å; V829-R833 PolarHBondContact O-N 3.14Å; V829-L841 HydrophobicContact CG2-CD2 3.81Å; V829-L843 HydrophobicContact CG2-CD1 3.93Å; V829-L856 HydrophobicContact CB-CD2 4.38Å; V829-L856 HydrophobicContact CG2-CD2 3.78Å; V829-R859 HydrophobicContact CG1-CB 4.12Å; V829-R859 HydrophobicContact CG1-CG 4.04Å; V829-V873 HydrophobicContact CG1-CG2 4.11Å; V829-V873 HydrophobicContact CG2-CG1 4.14Å; V829-V873 HydrophobicContact CG2-CG2 3.73Å
830	D	92.7	Very high	92.6	Very high	32 Å²	32	34.4 Å²	34.4	17%	0.171	18%	0.183	C	C	.	.	H	α-helix	trans	-69	-46.2	178.4	-70.8	-26.4	0	0	0	112.4	V826 A827 L828 C832 R833 E834 R859	V826-D830 PolarHBondContact O-N 2.97Å; A827-D830 PolarHBondContact O-N 3.45Å; L828-D830 VanDerWaalsContact C-N 3.34Å; D830-C832 PolarHBondContact O-N 3.16Å; D830-R833 WeakPolarHBondContact O-CB 3.3Å; D830-R833 PolarHBondContact O-N 3.14Å; D830-R833 IonicContact OD1-CZ 2.92Å; D830-R833 IonicContact OD1-NH1 2.75Å; D830-R833 PolarHBondContact OD1-NH1 2.96Å; D830-E834 PolarHBondContact O-N 2.87Å; D830-E834 VanDerWaalsContact O-N 3.1Å; D830-R859 VanDerWaalsContact CG-NE 3.26Å; D830-R859 IonicContact OD1-CZ 3.22Å; D830-R859 IonicContact OD1-NE 3.29Å; D830-R859 PolarHBondContact OD1-NE 2.91Å; D830-R859 IonicContact OD1-NH2 2.66Å; D830-R859 IonicContact OD2-CZ 3.27Å; D830-R859 IonicContact OD2-NE 3.4Å; D830-R859 PolarHBondContact OD2-NE 3.29Å; D830-R859 IonicContact OD2-NH2 3.93Å; D830-R859 PolarHBondContact OD2-NH2 3.29Å
831	A	93.4	Very high	92.6	Very high	9 Å²	9	34.4 Å²	34.4	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-58.7	-35.8	174.1	0	0	0	0	0	112.5	A801 L804 A827 E834 H835	A801-A831 HydrophobicContact CB-CB 3.84Å; A801-A831 WeakPolarHBondContact O-CB 3.43Å; L804-A831 HydrophobicContact CB-CB 4.48Å; L804-A831 HydrophobicContact CD1-CB 4.4Å; A827-A831 WeakPolarHBondContact O-CB 3.31Å; A827-A831 PolarHBondContact O-N 3.49Å; A831-E834 PolarHBondContact O-N 2.89Å; A831-H835 WeakPolarHBondContact O-CB 3.43Å; A831-H835 PolarHBondContact O-N 2.77Å
832	C	92.9	Very high	92.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-71.4	-30.2	174.4	-68.5	0	0	0	0	113.5	L828 V829 D830 E834 I838 L841 V871	L828-C832 WeakPolarHBondContact O-CB 3.12Å; L828-C832 PolarHBondContact O-N 2.88Å; L828-C832 PolarHBondContact O-SG 2.68Å; V829-C832 PolarHBondContact O-N 2.94Å; D830-C832 PolarHBondContact O-N 3.16Å; C832-E834 VanDerWaalsContact C-N 3.32Å; C832-I838 HydrophobicContact CB-CD1 4.34Å; C832-I838 HydrophobicContact CB-CG2 3.93Å; C832-L841 HydrophobicContact CB-CD2 4.39Å; C832-V871 HydrophobicContact CB-CG1 4.16Å; C832-V871 HydrophobicContact CB-CG2 4.25Å; C832-V871 WeakPolarHBondContact O-CG2 3.49Å
833	R	89.5	Confident	92.3	Very high	37 Å²	37	31.6 Å²	31.6	14%	0.14	17%	0.167	C	C	.	.	H	α-helix	trans	-71	-29	174.7	-72.6	161.4	70.2	-125.4	-6.1	112.1	V829 D830 R859 T862 N864 V871	V829-R833 WeakPolarHBondContact O-CD 3.19Å; V829-R833 VanDerWaalsContact O-CG 3.25Å; V829-R833 WeakPolarHBondContact O-CG 3.37Å; V829-R833 PolarHBondContact O-N 3.14Å; D830-R833 WeakPolarHBondContact O-CB 3.3Å; D830-R833 PolarHBondContact O-N 3.14Å; D830-R833 IonicContact OD1-CZ 2.92Å; D830-R833 IonicContact OD1-NH1 2.75Å; D830-R833 PolarHBondContact OD1-NH1 2.96Å; R833-R859 VanDerWaalsContact CD-O 3.3Å; R833-R859 WeakPolarHBondContact CD-O 3.45Å; R833-R859 PolarHBondContact NE-O 2.84Å; R833-T862 PolarHBondContact NE-O 2.54Å; R833-T862 VanDerWaalsContact NE-O 3.13Å; R833-T862 PolarHBondContact NH2-O 3.33Å; R833-N864 PolarHBondContact NH2-OD1 3.45Å; R833-V871 HydrophobicContact CG-CG2 4.02Å
834	E	88.4	Confident	91.7	Very high	140 Å²	140	26.4 Å²	26.4	65%	0.654	14%	0.142	S	C	*	.	H	α-helix	trans	-88	-20.2	177	-64.9	-176.8	176.3	0	0	113	D830 A831 C832	D830-E834 PolarHBondContact O-N 2.87Å; D830-E834 VanDerWaalsContact O-N 3.1Å; A831-E834 PolarHBondContact O-N 2.89Å; C832-E834 VanDerWaalsContact C-N 3.32Å
835	H	90.4	Very high	90.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.147	C	C	.	.	S	Bend	trans	-69.2	130.6	175.5	-170.2	-78.8	0	0	0	111.7	L804 H807 L810 A831 T837 I838	L804-H835 PolarHBondContact O-CD2 3.03Å; L804-H835 VanDerWaalsContact O-CD2 3.24Å; H807-H835 AromaticContact ND1-NE2 3.62Å; H807-H835 PolarHBondContact O-NE2 2.84Å; L810-H835 PolarHBondContact O-CE1 3.22Å; A831-H835 WeakPolarHBondContact O-CB 3.43Å; A831-H835 PolarHBondContact O-N 2.77Å; H835-T837 PolarHBondContact CE1-OG1 3.44Å; H835-T837 PolarHBondContact ND1-N 3.39Å; H835-T837 PolarHBondContact ND1-OG1 3.31Å; H835-T837 PolarHBondContact O-N 3.39Å; H835-T837 VanDerWaalsContact O-N 3.08Å; H835-I838 HydrophobicContact CB-CB 4.37Å; H835-I838 HydrophobicContact CB-CD1 3.96Å; H835-I838 HydrophobicContact CB-CG1 4.26Å; H835-I838 WeakPolarHBondContact ND1-CG1 3.11Å; H835-I838 PolarHBondContact ND1-N 2.67Å
836	P	88.9	Confident	90.2	Very high	73 Å²	73	28.4 Å²	28.4	47%	0.474	15%	0.15	S	C	.	.	S	Bend	trans	-68.6	-16.1	-167	27.2	-37.1	0	0	0	115.3	T808 Q869	T808-P836 HydrophobicContact CG2-CG 4.27Å; P836-Q869 PolarHBondContact O-NE2 3.09Å
837	T	92.1	Very high	89.7	Confident	46 Å²	46	30.7 Å²	30.7	28%	0.282	17%	0.166	S	C	.	.	S	Bend	trans	-130.7	-9.5	-169.7	39.1	0	0	0	0	115.3	T808 L810 Q811 H835 H839	T808-T837 VanDerWaalsContact O-CG2 3.32Å; T808-T837 WeakPolarHBondContact O-CG2 3.37Å; T808-T837 PolarHBondContact O-OG1 2.89Å; L810-T837 CarbonylContact O-C 3.13Å; L810-T837 WeakPolarHBondContact O-CB 3.38Å; L810-T837 PolarHBondContact O-OG1 3.31Å; L810-T837 VanDerWaalsContact O-OG1 3.04Å; Q811-T837 WeakPolarHBondContact CA-O 3.46Å; H835-T837 PolarHBondContact CE1-OG1 3.44Å; H835-T837 PolarHBondContact ND1-N 3.39Å; H835-T837 PolarHBondContact ND1-OG1 3.31Å; H835-T837 PolarHBondContact O-N 3.39Å; H835-T837 VanDerWaalsContact O-N 3.08Å; T837-H839 PolarHBondContact O-N 3.49Å
838	I	92.8	Very high	89.3	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.			trans	-72.3	131.3	179.8	-73.7	169.7	0	0	0	109	L804 L810 Q811 C832 H835 Q869 V871	L804-I838 HydrophobicContact CD2-CD1 3.85Å; L810-I838 HydrophobicContact CB-CG1 4.24Å; L810-I838 HydrophobicContact CD2-CD1 4.12Å; L810-I838 HydrophobicContact CD2-CG1 4.48Å; L810-I838 WeakPolarHBondContact O-CA 3.25Å; L810-I838 WeakPolarHBondContact O-CG1 3.5Å; L810-I838 PolarHBondContact O-N 2.72Å; L810-I838 VanDerWaalsContact O-N 3.16Å; Q811-I838 WeakPolarHBondContact O-CA 3.44Å; C832-I838 HydrophobicContact CB-CD1 4.34Å; C832-I838 HydrophobicContact CB-CG2 3.93Å; H835-I838 HydrophobicContact CB-CB 4.37Å; H835-I838 HydrophobicContact CB-CD1 3.96Å; H835-I838 HydrophobicContact CB-CG1 4.26Å; H835-I838 WeakPolarHBondContact ND1-CG1 3.11Å; H835-I838 PolarHBondContact ND1-N 2.67Å; I838-Q869 PolarHBondContact O-NE2 2.94Å; I838-V871 HydrophobicContact CG2-CG1 4.21Å
839	H	89.3	Confident	88.8	Confident	87 Å²	87	33.3 Å²	33.3	40%	0.403	18%	0.178	S	C	.	.			trans	-123.7	-18.5	173.5	61.4	56.5	0	0	0	113.3	Q811 T837 K872	Q811-H839 PolarHBondContact O-N 2.77Å; Q811-H839 PolarHBondContact O-ND1 3.21Å; T837-H839 PolarHBondContact O-N 3.49Å; H839-K872 VanDerWaalsContact O-CB 3.22Å; H839-K872 WeakPolarHBondContact O-CB 3.49Å; H839-K872 PolarHBondContact O-N 3.36Å
840	T	88.9	Confident	88.1	Confident	10 Å²	10	36.2 Å²	36.2	6%	0.061	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.5	177.4	-49.4	0	0	0	0	111.2	Q811 E812 L813 L874	Q811-T840 PolarHBondContact O-N 2.92Å; E812-T840 HydrophobicContact CG-CG2 3.98Å; E812-T840 WeakPolarHBondContact OE2-CB 3.34Å; E812-T840 WeakPolarHBondContact OE2-CG2 2.95Å; E812-T840 PolarHBondContact OE2-OG1 3.4Å; L813-T840 PolarHBondContact N-O 3.06Å; L813-T840 VanDerWaalsContact N-O 3.09Å; T840-L874 HydrophobicContact CG2-CD1 3.95Å
841	L	93.4	Very high	87.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.7	170.8	175.5	64	0	0	0	110.1	L813 V815 L828 V829 C832 L843 V871 K872 L874	L813-L841 HydrophobicContact CB-CD1 4.13Å; L813-L841 HydrophobicContact CD2-CD1 3.87Å; L813-L841 HydrophobicContact CG-CD1 3.94Å; L813-L841 WeakPolarHBondContact O-CA 3.36Å; V815-L841 HydrophobicContact CG2-CD1 4.09Å; L828-L841 HydrophobicContact CB-CD2 4.35Å; V829-L841 HydrophobicContact CG2-CD2 3.81Å; C832-L841 HydrophobicContact CB-CD2 4.39Å; L841-L843 HydrophobicContact CD2-CD1 3.78Å; L841-L843 HydrophobicContact CD2-CG 4.27Å; L841-L843 HydrophobicContact CG-CD1 4.16Å; L841-L843 HydrophobicContact CG-CG 4.16Å; L841-V871 HydrophobicContact CB-CG1 4.02Å; L841-K872 PolarHBondContact N-O 2.81Å; L841-L874 PolarHBondContact O-N 2.73Å
842	H	89	Confident	87.3	Confident	23 Å²	23	41 Å²	41	11%	0.106	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.1	176.3	-52.1	-100.9	0	0	0	111.4	E812 L813 N814 V815 A816 Y844 L874	E812-H842 VanDerWaalsContact CD-NE2 3.35Å; E812-H842 IonicContact OE1-CD2 3.89Å; E812-H842 IonicContact OE1-CE1 2.8Å; E812-H842 IonicContact OE1-NE2 3.92Å; E812-H842 PolarHBondContact OE1-NE2 3.04Å; L813-H842 PolarHBondContact O-CD2 2.85Å; L813-H842 PolarHBondContact O-N 3.15Å; N814-H842 HydrophobicContact CB-CB 4.06Å; N814-H842 WeakPolarHBondContact OD1-CB 3.47Å; V815-H842 CarbonylContact C-O 3.55Å; V815-H842 WeakPolarHBondContact CG2-O 3.35Å; V815-H842 PolarHBondContact N-O 3.41Å; V815-H842 VanDerWaalsContact N-O 3.11Å; A816-H842 HydrophobicContact CB-CB 4.49Å; A816-H842 PolarHBondContact N-O 2.84Å; H842-Y844 HydrophobicContact CB-CD1 4.09Å; H842-Y844 HydrophobicContact CB-CE1 3.71Å; H842-Y844 AromaticContact ND1-CE1 3.58Å; H842-L874 WeakPolarHBondContact ND1-CD1 3.26Å
843	L	90	Very high	86.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.			trans	-125.1	-0.6	-178.9	-82.9	167.1	0	0	0	113.5	V815 I820 A825 L828 V829 L841 N846 I848 V873 L874	V815-L843 HydrophobicContact CG2-CD2 3.96Å; I820-L843 HydrophobicContact CD1-CD2 4.21Å; A825-L843 HydrophobicContact CB-CD1 4.14Å; A825-L843 HydrophobicContact CB-CD2 4.1Å; L828-L843 HydrophobicContact CD1-CD2 4.36Å; V829-L843 HydrophobicContact CG2-CD1 3.93Å; L841-L843 HydrophobicContact CD2-CD1 3.78Å; L841-L843 HydrophobicContact CD2-CG 4.27Å; L841-L843 HydrophobicContact CG-CD1 4.16Å; L841-L843 HydrophobicContact CG-CG 4.16Å; L843-N846 WeakPolarHBondContact O-CB 3.45Å; L843-N846 PolarHBondContact O-N 2.76Å; L843-N846 PolarHBondContact O-ND2 2.86Å; L843-I848 HydrophobicContact CB-CD1 4.34Å; L843-V873 HydrophobicContact CD1-CG1 4.09Å; L843-L874 PolarHBondContact N-O 2.91Å
844	Y	81.4	Confident	86.5	Confident	27 Å²	27	44.5 Å²	44.5	11%	0.106	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	156.4	-178.2	60.7	-103.2	0	0	0	114.1	M788 N814 A816 Y817 H842 N846 L874 A875 V877	M788-Y844 HydrophobicContact CE-CE2 3.86Å; M788-Y844 HydrophobicContact SD-CE2 3.82Å; M788-Y844 PolarHBondContact SD-OH 3.5Å; N814-Y844 PolarHBondContact ND2-OH 3.19Å; A816-Y844 CarbonylContact C-O 3.53Å; A816-Y844 WeakPolarHBondContact CA-O 3.47Å; A816-Y844 HydrophobicContact CB-CD1 4.11Å; A816-Y844 HydrophobicContact CB-CD2 3.52Å; A816-Y844 HydrophobicContact CB-CE1 3.92Å; A816-Y844 HydrophobicContact CB-CE2 3.28Å; A816-Y844 HydrophobicContact CB-CG 3.9Å; A816-Y844 VanDerWaalsContact CB-CZ 3.47Å; A816-Y844 VanDerWaalsContact CB-O 3.28Å; A816-Y844 WeakPolarHBondContact CB-O 3.34Å; Y817-Y844 PolarHBondContact N-O 2.75Å; H842-Y844 HydrophobicContact CB-CD1 4.09Å; H842-Y844 HydrophobicContact CB-CE1 3.71Å; H842-Y844 AromaticContact ND1-CE1 3.58Å; Y844-N846 PolarHBondContact O-N 2.83Å; Y844-L874 PolarHBondContact N-O 3.32Å; Y844-A875 WeakPolarHBondContact CA-O 3.35Å; Y844-V877 HydrophobicContact CD1-CG2 4.4Å; Y844-V877 HydrophobicContact CD2-CG2 3.51Å; Y844-V877 HydrophobicContact CE2-CG2 4.23Å; Y844-V877 HydrophobicContact CG-CG2 3.64Å
845	F	75.7	Confident	86.5	Confident	33 Å²	33	41 Å²	41	15%	0.145	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	6.7	-174.1	-58.6	-25.3	0	0	0	116.4	M788 Y817 V877 V912 F913	M788-F845 HydrophobicContact CE-CD2 4.47Å; Y817-F845 HydrophobicContact CD2-CB 3.92Å; Y817-F845 WeakPolarHBondContact CD2-O 3.22Å; Y817-F845 HydrophobicContact CG-CB 3.88Å; Y817-F845 HydrophobicContact CG-CD2 4.39Å; F845-V877 HydrophobicContact CD1-CG2 4.1Å; F845-V877 HydrophobicContact CE1-CG2 3.52Å; F845-V877 HydrophobicContact CE2-CG2 4.12Å; F845-V877 HydrophobicContact CZ-CG2 3.55Å; F845-V912 HydrophobicContact CD1-CG1 4.19Å; F845-F913 HydrophobicContact CE1-CB 3.87Å; F845-F913 AromaticContact CE1-CD2 3.68Å; F845-F913 HydrophobicContact CE1-CD2 3.68Å; F845-F913 HydrophobicContact CE1-CG 4.12Å; F845-F913 HydrophobicContact CZ-CB 3.88Å; F845-F913 AromaticContact CZ-CD2 3.51Å; F845-F913 HydrophobicContact CZ-CD2 3.51Å; F845-F913 HydrophobicContact CZ-CE2 4.22Å; F845-F913 AromaticContact CZ-CG 3.83Å; F845-F913 HydrophobicContact CZ-CG 3.83Å
846	N	85.2	Confident	86.4	Confident	12 Å²	12	41.1 Å²	41.1	6%	0.064	22%	0.224	C	C	.	.	S	Bend	trans	-75.1	155.8	161.7	-74.1	-59.6	0	0	0	110.6	V815 N818 A819 I820 L843 Y844 I848	V815-N846 PolarHBondContact O-ND2 3.47Å; N818-N846 WeakPolarHBondContact CA-OD1 3.45Å; N818-N846 PolarHBondContact N-OD1 3.46Å; A819-N846 PolarHBondContact N-OD1 2.9Å; I820-N846 HydrophobicContact CB-CB 4.3Å; I820-N846 WeakPolarHBondContact CG1-OD1 3.2Å; I820-N846 PolarHBondContact N-OD1 3.13Å; I820-N846 WeakPolarHBondContact O-CB 3.45Å; L843-N846 WeakPolarHBondContact O-CB 3.45Å; L843-N846 PolarHBondContact O-N 2.76Å; L843-N846 PolarHBondContact O-ND2 2.86Å; Y844-N846 PolarHBondContact O-N 2.83Å; N846-I848 HydrophobicContact CB-CD1 3.86Å; N846-I848 HydrophobicContact CB-CG1 4.05Å; N846-I848 PolarHBondContact O-N 2.9Å
847	P	84.2	Confident	86.1	Confident	84 Å²	84	43.4 Å²	43.4	55%	0.545	22%	0.224	S	C	.	.	S	Bend	trans	-72.1	71.2	179.4	31.2	-38.4	0	0	0	112	I820	I820-P847 VanDerWaalsContact O-CD 3.26Å; I820-P847 WeakPolarHBondContact O-CD 3.25Å; I820-P847 WeakPolarHBondContact O-CG 3.39Å
848	I	85.8	Confident	85.6	Confident	15 Å²	15	42.7 Å²	42.7	8%	0.077	23%	0.226	C	C	.	.			trans	-117.4	128.2	-178.9	-55.9	169.4	0	0	0	108	E822 A825 L843 N846 K853 L856	E822-I848 HydrophobicContact CG-CG2 4.23Å; A825-I848 HydrophobicContact CB-CD1 3.95Å; L843-I848 HydrophobicContact CB-CD1 4.34Å; N846-I848 HydrophobicContact CB-CD1 3.86Å; N846-I848 HydrophobicContact CB-CG1 4.05Å; N846-I848 PolarHBondContact O-N 2.9Å; I848-K853 HydrophobicContact CG2-CG 4Å; I848-L856 HydrophobicContact CD1-CD1 3.88Å; I848-L856 HydrophobicContact CG2-CD1 3.86Å
849	T	86.3	Confident	85.3	Confident	70 Å²	70	47.1 Å²	47.1	43%	0.429	24%	0.243	S	C	.	.			trans	-65.3	162.3	176.2	63.3	0	0	0	0	111.6	E822 E851 G852 K853	E822-T849 WeakPolarHBondContact OE1-CA 3.3Å; E822-T849 VanDerWaalsContact OE1-CB 3.24Å; E822-T849 WeakPolarHBondContact OE1-CB 3.26Å; E822-T849 WeakPolarHBondContact OE1-CG2 3.41Å; E822-T849 PolarHBondContact OE1-N 3.26Å; E822-T849 PolarHBondContact OE1-OG1 3.41Å; T849-E851 PolarHBondContact O-N 2.99Å; T849-G852 WeakPolarHBondContact O-CA 3.49Å; T849-G852 PolarHBondContact O-N 3Å; T849-G852 VanDerWaalsContact O-N 3.11Å; T849-G852 PolarHBondContact OG1-N 3.39Å; T849-K853 WeakPolarHBondContact O-CG 3.18Å; T849-K853 PolarHBondContact O-N 2.9Å
850	D	78.9	Confident	84.9	Confident	61 Å²	61	43 Å²	43	33%	0.326	22%	0.224	S	C	.	.	H	α-helix	trans	-71.6	-22.8	179.5	-72.6	-28	0	0	0	112.2	K853 Q854 W919	D850-K853 WeakPolarHBondContact OD1-CD 3.45Å; D850-K853 VanDerWaalsContact OD1-CE 3.31Å; D850-K853 WeakPolarHBondContact OD1-CE 3.44Å; D850-K853 IonicContact OD1-NZ 2.75Å; D850-K853 PolarHBondContact OD1-NZ 2.8Å; D850-Q854 WeakPolarHBondContact O-CG 3.29Å; D850-Q854 PolarHBondContact O-N 2.99Å; D850-Q854 PolarHBondContact O-NE2 2.98Å; D850-W919 VanDerWaalsContact OD2-CD1 3.27Å
851	E	83.3	Confident	84.3	Confident	136 Å²	136	45.9 Å²	45.9	64%	0.636	24%	0.238	S	C	*	.	H	α-helix	trans	-66.9	-49.5	163.8	-66.7	68.3	-153.6	0	0	111	T849 K853 Q854 S855	T849-E851 PolarHBondContact O-N 2.99Å; E851-K853 PolarHBondContact O-N 3.11Å; E851-Q854 PolarHBondContact O-N 2.89Å; E851-Q854 VanDerWaalsContact O-N 3.15Å; E851-S855 PolarHBondContact O-N 2.82Å
852	G	86.3	Confident	82.9	Confident	6 Å²	6	49.6 Å²	49.6	6%	0.062	26%	0.261	C	S	.	.	H	α-helix	trans	-57.3	-44.9	176.9	0	0	0	0	0	112.9	T849 Q854 S855 L856	T849-G852 WeakPolarHBondContact O-CA 3.49Å; T849-G852 PolarHBondContact O-N 3Å; T849-G852 VanDerWaalsContact O-N 3.11Å; T849-G852 PolarHBondContact OG1-N 3.39Å; G852-Q854 VanDerWaalsContact C-N 3.34Å; G852-Q854 PolarHBondContact O-N 2.94Å; G852-S855 WeakPolarHBondContact O-CB 3.32Å; G852-S855 PolarHBondContact O-N 3.01Å; G852-L856 VanDerWaalsContact O-CG 3.29Å; G852-L856 WeakPolarHBondContact O-CG 3.46Å; G852-L856 PolarHBondContact O-N 3.22Å
853	K	84	Confident	81.2	Confident	19 Å²	19	50.1 Å²	50.1	8%	0.083	27%	0.273	C	S	.	.	H	α-helix	trans	-56	-46.7	173.7	-68.2	174.8	-166.7	169.4	0	111.7	I848 T849 D850 E851 L856 Y857 A875 D916 W919	I848-K853 HydrophobicContact CG2-CG 4Å; T849-K853 WeakPolarHBondContact O-CG 3.18Å; T849-K853 PolarHBondContact O-N 2.9Å; D850-K853 WeakPolarHBondContact OD1-CD 3.45Å; D850-K853 VanDerWaalsContact OD1-CE 3.31Å; D850-K853 WeakPolarHBondContact OD1-CE 3.44Å; D850-K853 IonicContact OD1-NZ 2.75Å; D850-K853 PolarHBondContact OD1-NZ 2.8Å; E851-K853 PolarHBondContact O-N 3.11Å; K853-L856 PolarHBondContact O-N 2.94Å; K853-Y857 WeakPolarHBondContact O-CB 3.38Å; K853-Y857 PolarHBondContact O-N 2.87Å; K853-A875 HydrophobicContact CB-CB 4.08Å; K853-A875 HydrophobicContact CG-CB 3.9Å; K853-D916 IonicContact NZ-OD1 2.76Å; K853-D916 PolarHBondContact NZ-OD1 3.43Å; K853-W919 HydrophobicContact CB-CZ2 4.45Å
854	Q	82.2	Confident	79.2	Confident	92 Å²	92	55.2 Å²	55.2	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-66.7	-37.1	179.5	-72.2	172.1	101.1	0	0	112	D850 E851 G852 G858 W919 K923	D850-Q854 WeakPolarHBondContact O-CG 3.29Å; D850-Q854 PolarHBondContact O-N 2.99Å; D850-Q854 PolarHBondContact O-NE2 2.98Å; E851-Q854 PolarHBondContact O-N 2.89Å; E851-Q854 VanDerWaalsContact O-N 3.15Å; G852-Q854 VanDerWaalsContact C-N 3.34Å; G852-Q854 PolarHBondContact O-N 2.94Å; Q854-G858 PolarHBondContact O-N 2.99Å; Q854-W919 HydrophobicContact CG-CZ2 4.22Å; Q854-K923 VanDerWaalsContact CD-NZ 3.31Å
855	S	88	Confident	77.6	Confident	67 Å²	67	63.9 Å²	63.9	47%	0.469	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-50.3	173.2	-174	0	0	0	0	111.8	E851 G852 Y857 G858 R859	E851-S855 PolarHBondContact O-N 2.82Å; G852-S855 WeakPolarHBondContact O-CB 3.32Å; G852-S855 PolarHBondContact O-N 3.01Å; S855-Y857 PolarHBondContact O-N 3.47Å; S855-G858 PolarHBondContact O-N 3.11Å; S855-R859 WeakPolarHBondContact O-CB 3.32Å; S855-R859 PolarHBondContact O-N 3.19Å
856	L	88.1	Confident	76.4	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	37%	0.369	C	S	.	.	H	α-helix	trans	-63.3	-41.5	179.1	-67.2	166.4	0	0	0	112.3	A825 V826 V829 I848 G852 K853 R859 G860 V873	A825-L856 HydrophobicContact CB-CD1 3.98Å; A825-L856 HydrophobicContact CB-CD2 4.23Å; V826-L856 HydrophobicContact CB-CD2 4.36Å; V826-L856 HydrophobicContact CG2-CD2 3.67Å; V829-L856 HydrophobicContact CB-CD2 4.38Å; V829-L856 HydrophobicContact CG2-CD2 3.78Å; I848-L856 HydrophobicContact CD1-CD1 3.88Å; I848-L856 HydrophobicContact CG2-CD1 3.86Å; G852-L856 VanDerWaalsContact O-CG 3.29Å; G852-L856 WeakPolarHBondContact O-CG 3.46Å; G852-L856 PolarHBondContact O-N 3.22Å; K853-L856 PolarHBondContact O-N 2.94Å; L856-R859 PolarHBondContact O-N 3.42Å; L856-G860 PolarHBondContact O-N 3.43Å; L856-V873 HydrophobicContact CB-CG1 4.25Å
857	Y	82.8	Confident	74.8	Confident	122 Å²	122	72 Å²	72	48%	0.478	40%	0.403	S	S	.	.	H	α-helix	trans	-60.4	-47	174.7	179	-95.7	0	0	0	111.8	K853 S855 L861	K853-Y857 WeakPolarHBondContact O-CB 3.38Å; K853-Y857 PolarHBondContact O-N 2.87Å; S855-Y857 PolarHBondContact O-N 3.47Å; Y857-L861 HydrophobicContact CD1-CD1 4.14Å; Y857-L861 HydrophobicContact CE1-CD1 3.55Å; Y857-L861 HydrophobicContact CE2-CD1 4.41Å; Y857-L861 WeakPolarHBondContact O-CG 3.23Å; Y857-L861 PolarHBondContact O-N 2.94Å
858	G	82.6	Confident	73.3	Confident	31 Å²	31	74.8 Å²	74.8	32%	0.32	41%	0.413	S	S	.	.	H	α-helix	trans	-61.1	-44.6	174.7	0	0	0	0	0	112.4	Q854 S855 G860 L861 T862	Q854-G858 PolarHBondContact O-N 2.99Å; S855-G858 PolarHBondContact O-N 3.11Å; G858-G860 PolarHBondContact O-N 3.5Å; G858-L861 PolarHBondContact O-N 3.47Å; G858-L861 VanDerWaalsContact O-N 3.14Å; G858-T862 PolarHBondContact O-N 3.33Å; G858-T862 VanDerWaalsContact O-N 3.08Å; G858-T862 PolarHBondContact O-OG1 3.19Å
859	R	85.8	Confident	72.1	Confident	92 Å²	92	77.1 Å²	77.1	35%	0.347	42%	0.424	S	S	.	.	H	α-helix	trans	-60.9	-42	-179	-163	177.1	-165.5	110.7	-6.7	112.5	V829 D830 R833 S855 L856 L861 T862	V829-R859 HydrophobicContact CG1-CB 4.12Å; V829-R859 HydrophobicContact CG1-CG 4.04Å; D830-R859 VanDerWaalsContact CG-NE 3.26Å; D830-R859 IonicContact OD1-CZ 3.22Å; D830-R859 IonicContact OD1-NE 3.29Å; D830-R859 PolarHBondContact OD1-NE 2.91Å; D830-R859 IonicContact OD1-NH2 2.66Å; D830-R859 IonicContact OD2-CZ 3.27Å; D830-R859 IonicContact OD2-NE 3.4Å; D830-R859 PolarHBondContact OD2-NE 3.29Å; D830-R859 IonicContact OD2-NH2 3.93Å; D830-R859 PolarHBondContact OD2-NH2 3.29Å; R833-R859 VanDerWaalsContact CD-O 3.3Å; R833-R859 WeakPolarHBondContact CD-O 3.45Å; R833-R859 PolarHBondContact NE-O 2.84Å; S855-R859 WeakPolarHBondContact O-CB 3.32Å; S855-R859 PolarHBondContact O-N 3.19Å; L856-R859 PolarHBondContact O-N 3.42Å; R859-L861 VanDerWaalsContact C-N 3.27Å; R859-L861 PolarHBondContact O-N 3.35Å; R859-T862 WeakPolarHBondContact CA-OG1 3.32Å; R859-T862 PolarHBondContact O-N 2.76Å; R859-T862 PolarHBondContact O-OG1 2.98Å
860	G	81.3	Confident	71.8	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-64.8	-25.5	176.1	0	0	0	0	0	114.8	L856 G858 V871	L856-G860 PolarHBondContact O-N 3.43Å; G858-G860 PolarHBondContact O-N 3.5Å; G860-V871 CarbonylContact C-O 3.57Å; G860-V871 PolarHBondContact O-N 3.19Å
861	L	75.8	Confident	72.1	Confident	71 Å²	71	77 Å²	77	37%	0.372	42%	0.416	S	S	.	.	H	α-helix	trans	-89.5	-25.3	177.6	-65.9	177.2	0	0	0	113.7	Y857 G858 R859 G863 Q870	Y857-L861 HydrophobicContact CD1-CD1 4.14Å; Y857-L861 HydrophobicContact CE1-CD1 3.55Å; Y857-L861 HydrophobicContact CE2-CD1 4.41Å; Y857-L861 WeakPolarHBondContact O-CG 3.23Å; Y857-L861 PolarHBondContact O-N 2.94Å; G858-L861 PolarHBondContact O-N 3.47Å; G858-L861 VanDerWaalsContact O-N 3.14Å; R859-L861 VanDerWaalsContact C-N 3.27Å; R859-L861 PolarHBondContact O-N 3.35Å; L861-G863 PolarHBondContact O-N 2.85Å; L861-Q870 PolarHBondContact O-NE2 2.67Å
862	T	64	Low	72.2	Confident	79 Å²	79	75.4 Å²	75.4	49%	0.485	41%	0.407	S	S	.	.			trans	-74.6	108.6	175	47.7	0	0	0	0	111.3	R833 G858 R859	R833-T862 PolarHBondContact NE-O 2.54Å; R833-T862 VanDerWaalsContact NE-O 3.13Å; R833-T862 PolarHBondContact NH2-O 3.33Å; G858-T862 PolarHBondContact O-N 3.33Å; G858-T862 VanDerWaalsContact O-N 3.08Å; G858-T862 PolarHBondContact O-OG1 3.19Å; R859-T862 WeakPolarHBondContact CA-OG1 3.32Å; R859-T862 PolarHBondContact O-N 2.76Å; R859-T862 PolarHBondContact O-OG1 2.98Å
863	G	54.5	Low	72.3	Confident	33 Å²	33	75.3 Å²	75.3	34%	0.34	41%	0.406	S	S	.	.			trans	-77.2	139.1	165.5	0	0	0	0	0	111.3	L861	L861-G863 PolarHBondContact O-N 2.85Å
864	N	48	Very low	72.3	Confident	108 Å²	108	75.2 Å²	75.2	58%	0.578	41%	0.406	S	S	*	.			trans	-71.8	145.9	164.5	-74.5	-2.3	0	0	0	108.7	R833 G866	R833-N864 PolarHBondContact NH2-OD1 3.45Å; N864-G866 PolarHBondContact O-N 3.16Å
865	Q	47.9	Very low	72.3	Confident	208 Å²	208	71 Å²	71	97%	0.972	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	104.3	-174.3	-66.6	-173.7	0.7	0	0	111.6
866	G	50.2	Low	71.5	Confident	70 Å²	70	67.9 Å²	67.9	72%	0.722	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	157	-65.3	179.3	0	0	0	0	0	112.1	N864	N864-G866 PolarHBondContact O-N 3.16Å
867	N	51	Low	70.4	Confident	146 Å²	146	69.7 Å²	69.7	78%	0.781	38%	0.376	S	S	*	.			trans	-120	113.9	-178.1	-75.2	-17.1	0	0	0	110.8	Q869	N867-Q869 VanDerWaalsContact C-N 3.27Å; N867-Q869 PolarHBondContact O-N 3.14Å
868	N	52.2	Low	69.3	Low	142 Å²	142	64.2 Å²	64.2	76%	0.759	36%	0.355	S	S	*	.			trans	-83.9	58.7	-179.2	-77.9	-14.6	0	0	0	112.8	Q870	N868-Q870 PolarHBondContact O-N 3.39Å
869	Q	61.2	Low	68.2	Low	64 Å²	64	64.2 Å²	64.2	30%	0.299	35%	0.347	S	S	.	.			trans	-78.6	111.7	166.2	-160.4	82.8	-2.9	0	0	108.5	P836 I838 N867	P836-Q869 PolarHBondContact O-NE2 3.09Å; I838-Q869 PolarHBondContact O-NE2 2.94Å; N867-Q869 VanDerWaalsContact C-N 3.27Å; N867-Q869 PolarHBondContact O-N 3.14Å
870	Q	79.7	Confident	66.6	Low	126 Å²	126	62.2 Å²	62.2	59%	0.589	36%	0.355	S	S	*	.			trans	-97.6	126.7	173.2	-72.8	-173	-24.9	0	0	110	L861 N868	L861-Q870 PolarHBondContact O-NE2 2.67Å; N868-Q870 PolarHBondContact O-N 3.39Å
871	V	85.4	Confident	64.9	Low	2 Å²	2	65.5 Å²	65.5	1%	0.012	38%	0.378	C	S	.	.			trans	-103.3	119.4	178.7	-178.6	0	0	0	0	109.3	C832 R833 I838 L841 G860 V873	C832-V871 HydrophobicContact CB-CG1 4.16Å; C832-V871 HydrophobicContact CB-CG2 4.25Å; C832-V871 WeakPolarHBondContact O-CG2 3.49Å; R833-V871 HydrophobicContact CG-CG2 4.02Å; I838-V871 HydrophobicContact CG2-CG1 4.21Å; L841-V871 HydrophobicContact CB-CG1 4.02Å; G860-V871 CarbonylContact C-O 3.57Å; G860-V871 PolarHBondContact O-N 3.19Å; V871-V873 VanDerWaalsContact C-N 3.35Å; V871-V873 HydrophobicContact CG1-CG2 4.26Å; V871-V873 PolarHBondContact O-N 3.31Å
872	K	86.1	Confident	63.3	Low	103 Å²	103	67.2 Å²	67.2	45%	0.448	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	89.6	171.8	-171	-165.7	177.6	-161	0	109.3	H839 L841	H839-K872 VanDerWaalsContact O-CB 3.22Å; H839-K872 WeakPolarHBondContact O-CB 3.49Å; H839-K872 PolarHBondContact O-N 3.36Å; L841-K872 PolarHBondContact N-O 2.81Å
873	V	87.6	Confident	62.6	Low	4 Å²	4	64.6 Å²	64.6	2%	0.024	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129.9	171.1	-175.3	0	0	0	0	109.4	V829 L843 L856 V871 A875	V829-V873 HydrophobicContact CG1-CG2 4.11Å; V829-V873 HydrophobicContact CG2-CG1 4.14Å; V829-V873 HydrophobicContact CG2-CG2 3.73Å; L843-V873 HydrophobicContact CD1-CG1 4.09Å; L856-V873 HydrophobicContact CB-CG1 4.25Å; V871-V873 VanDerWaalsContact C-N 3.35Å; V871-V873 HydrophobicContact CG1-CG2 4.26Å; V871-V873 PolarHBondContact O-N 3.31Å; V873-A875 HydrophobicContact CG1-CB 4.41Å
874	L	84.3	Confident	61.9	Low	18 Å²	18	66 Å²	66	9%	0.094	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	84	176.4	-70.8	170.9	0	0	0	108.8	T840 L841 H842 L843 Y844 E879	T840-L874 HydrophobicContact CG2-CD1 3.95Å; L841-L874 PolarHBondContact O-N 2.73Å; H842-L874 WeakPolarHBondContact ND1-CD1 3.26Å; L843-L874 PolarHBondContact N-O 2.91Å; Y844-L874 PolarHBondContact N-O 3.32Å; L874-E879 HydrophobicContact CD2-CB 3.79Å; L874-E879 WeakPolarHBondContact CD2-O 3.4Å
875	A	81.3	Confident	61.6	Low	3 Å²	3	62.8 Å²	62.8	3%	0.025	37%	0.367	C	S	.	.			trans	-89.6	-12.8	-178.9	0	0	0	0	0	112.4	Y844 K853 V873 E879	Y844-A875 WeakPolarHBondContact CA-O 3.35Å; K853-A875 HydrophobicContact CB-CB 4.08Å; K853-A875 HydrophobicContact CG-CB 3.9Å; V873-A875 HydrophobicContact CG1-CB 4.41Å; A875-E879 PolarHBondContact N-OE2 3.35Å
876	S	72.1	Confident	61.4	Low	1 Å²	1	55.2 Å²	55.2	1%	0.007	35%	0.345	C	S	.	.	S	Bend	trans	-124.2	146.8	167.6	180	0	0	0	0	110.6	T878 E879 D916	S876-T878 PolarHBondContact O-N 3.47Å; S876-T878 WeakPolarHBondContact OG-CB 3.35Å; S876-T878 PolarHBondContact OG-N 3.46Å; S876-T878 PolarHBondContact OG-OG1 3.3Å; S876-E879 PolarHBondContact N-OE2 3.2Å; S876-E879 PolarHBondContact O-N 3.21Å; S876-D916 VanDerWaalsContact CB-OD1 3.27Å; S876-D916 WeakPolarHBondContact CB-OD1 3.44Å; S876-D916 PolarHBondContact OG-OD1 2.94Å; S876-D916 PolarHBondContact OG-OD2 3.28Å
877	V	64.4	Low	61.7	Low	41 Å²	41	52.7 Å²	52.7	25%	0.248	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-9.4	172.3	-175.6	0	0	0	0	111.6	Y844 F845 F913 D916	Y844-V877 HydrophobicContact CD1-CG2 4.4Å; Y844-V877 HydrophobicContact CD2-CG2 3.51Å; Y844-V877 HydrophobicContact CE2-CG2 4.23Å; Y844-V877 HydrophobicContact CG-CG2 3.64Å; F845-V877 HydrophobicContact CD1-CG2 4.1Å; F845-V877 HydrophobicContact CE1-CG2 3.52Å; F845-V877 HydrophobicContact CE2-CG2 4.12Å; F845-V877 HydrophobicContact CZ-CG2 3.55Å; V877-F913 HydrophobicContact CG1-CE2 4.23Å; V877-D916 PolarHBondContact N-OD2 2.82Å
878	T	60.1	Low	61.7	Low	6 Å²	6	50.2 Å²	50.2	4%	0.037	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-7.4	-169	75.5	0	0	0	0	113.8	S876 I883 D916 L917 G920 F933	S876-T878 PolarHBondContact O-N 3.47Å; S876-T878 WeakPolarHBondContact OG-CB 3.35Å; S876-T878 PolarHBondContact OG-N 3.46Å; S876-T878 PolarHBondContact OG-OG1 3.3Å; T878-I883 HydrophobicContact CG2-CD1 4.46Å; T878-D916 WeakPolarHBondContact CG2-O 3.34Å; T878-L917 HydrophobicContact CG2-CD2 4.34Å; T878-G920 WeakPolarHBondContact OG1-CA 3.18Å; T878-F933 HydrophobicContact CG2-CE1 3.63Å; T878-F933 HydrophobicContact CG2-CZ 4.24Å
879	E	59.6	Low	61.4	Low	32 Å²	32	47.1 Å²	47.1	15%	0.15	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	137.6	175.7	-73.4	167.9	143.3	0	0	110.8	L874 A875 S876 W919	L874-E879 HydrophobicContact CD2-CB 3.79Å; L874-E879 WeakPolarHBondContact CD2-O 3.4Å; A875-E879 PolarHBondContact N-OE2 3.35Å; S876-E879 PolarHBondContact N-OE2 3.2Å; S876-E879 PolarHBondContact O-N 3.21Å; E879-W919 HydrophobicContact CG-CH2 4.14Å; E879-W919 HydrophobicContact CG-CZ3 3.96Å; E879-W919 WeakPolarHBondContact OE1-CH2 3.39Å
880	G	51.8	Low	61.1	Low	49 Å²	49	46.6 Å²	46.6	51%	0.505	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	33.8	174.5	0	0	0	0	0	116.4	D882	G880-D882 PolarHBondContact O-N 2.82Å
881	S	46	Very low	60	Low	69 Å²	69	40.8 Å²	40.8	48%	0.483	26%	0.257	S	S	.	.	S	Bend	trans	48.5	53	142.6	69.9	0	0	0	0	119.8
882	D	41.9	Very low	58.5	Low	107 Å²	107	48 Å²	48	57%	0.572	28%	0.283	S	S	*	.				-157.7	113.6	120.4	-130.7	22.3	0	0	0	114.8	G880 S884	G880-D882 PolarHBondContact O-N 2.82Å; D882-S884 VanDerWaalsContact CG-OG 3.23Å; D882-S884 PolarHBondContact O-N 3.48Å; D882-S884 VanDerWaalsContact OD2-CB 3.3Å; D882-S884 WeakPolarHBondContact OD2-CB 3.36Å; D882-S884 PolarHBondContact OD2-OG 3.01Å
883	I	49.7	Very low	56.9	Low	24 Å²	24	44.8 Å²	44.8	12%	0.123	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	18.6	175.3	-59.8	176.5	0	0	0	109.7	T878 W887 H932 F933 V936	T878-I883 HydrophobicContact CG2-CD1 4.46Å; I883-W887 VanDerWaalsContact CG2-CD1 3.42Å; I883-W887 HydrophobicContact CG2-CG 4.37Å; I883-W887 PolarHBondContact O-NE1 3Å; I883-H932 WeakPolarHBondContact CB-NE2 3.17Å; I883-H932 WeakPolarHBondContact CG2-NE2 3.49Å; I883-H932 PolarHBondContact O-NE2 3.01Å; I883-F933 HydrophobicContact CD1-CD1 4.08Å; I883-F933 HydrophobicContact CD1-CD2 4Å; I883-F933 HydrophobicContact CD1-CE1 3.52Å; I883-F933 HydrophobicContact CD1-CE2 3.43Å; I883-F933 VanDerWaalsContact CD1-CE2 3.43Å; I883-F933 HydrophobicContact CD1-CG 4.33Å; I883-F933 HydrophobicContact CD1-CZ 3.2Å; I883-V936 HydrophobicContact CG2-CG2 4.04Å
884	S	40.3	Very low	55.4	Low	63 Å²	63	45.5 Å²	45.5	44%	0.441	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-37.8	179.6	54.4	0	0	0	0	112.4	D882 H932	D882-S884 VanDerWaalsContact CG-OG 3.23Å; D882-S884 PolarHBondContact O-N 3.48Å; D882-S884 VanDerWaalsContact OD2-CB 3.3Å; D882-S884 WeakPolarHBondContact OD2-CB 3.36Å; D882-S884 PolarHBondContact OD2-OG 3.01Å; S884-H932 PolarHBondContact N-NE2 3.02Å
885	G	41.1	Very low	54	Low	41 Å²	41	49 Å²	49	42%	0.423	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-59.4	-175.6	0	0	0	0	0	116.4	W887 H888 P889	G885-W887 PolarHBondContact O-N 3.33Å; G885-H888 WeakPolarHBondContact O-CB 3.4Å; G885-H888 PolarHBondContact O-N 2.89Å; G885-H888 VanDerWaalsContact O-N 3.14Å; G885-P889 VanDerWaalsContact O-CD 3.3Å; G885-P889 WeakPolarHBondContact O-CD 3.38Å
886	G	43.2	Very low	52.5	Low	49 Å²	49	54.1 Å²	54.1	51%	0.505	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-32.7	-156	0	0	0	0	0	118	H888 P889	G886-H888 VanDerWaalsContact C-N 3.29Å; G886-H888 PolarHBondContact O-N 2.96Å; G886-P889 WeakPolarHBondContact O-CD 2.99Å
887	W	56.8	Low	51.5	Low	17 Å²	17	56.8 Å²	56.8	6%	0.064	33%	0.33	C	S	.	.	H	α-helix	trans	-76.1	-17.3	179.7	68.6	-85.5	0	0	0	113.3	I883 G885 I890 L891 F913 H932 V936 K939	I883-W887 VanDerWaalsContact CG2-CD1 3.42Å; I883-W887 HydrophobicContact CG2-CG 4.37Å; I883-W887 PolarHBondContact O-NE1 3Å; G885-W887 PolarHBondContact O-N 3.33Å; W887-I890 PolarHBondContact O-N 3.31Å; W887-L891 HydrophobicContact CE3-CB 4.19Å; W887-L891 HydrophobicContact CE3-CD1 3.63Å; W887-L891 HydrophobicContact CE3-CG 4Å; W887-L891 HydrophobicContact CZ3-CD1 3.88Å; W887-L891 PolarHBondContact O-N 3.46Å; W887-F913 HydrophobicContact CB-CZ 4.15Å; W887-H932 AromaticContact NE1-NE2 3.23Å; W887-H932 PolarHBondContact NE1-NE2 3.43Å; W887-V936 HydrophobicContact CD2-CG1 3.93Å; W887-V936 HydrophobicContact CD2-CG2 4.09Å; W887-V936 HydrophobicContact CE3-CG1 4.1Å; W887-V936 HydrophobicContact CG-CG1 4.21Å; W887-V936 HydrophobicContact CG-CG2 4.49Å; W887-V936 HydrophobicContact CH2-CG2 4.46Å; W887-V936 HydrophobicContact CZ2-CG2 3.81Å; W887-K939 HydrophobicContact CH2-CD 3.61Å; W887-K939 HydrophobicContact CZ3-CD 3.78Å
888	H	49.9	Very low	51	Low	93 Å²	93	55.6 Å²	55.6	43%	0.431	32%	0.324	S	S	.	.	H	α-helix	trans	-67.9	-46.5	-175.1	-111	-66	0	0	0	111.8	G885 G886 R892	G885-H888 WeakPolarHBondContact O-CB 3.4Å; G885-H888 PolarHBondContact O-N 2.89Å; G885-H888 VanDerWaalsContact O-N 3.14Å; G886-H888 VanDerWaalsContact C-N 3.29Å; G886-H888 PolarHBondContact O-N 2.96Å; H888-R892 WeakPolarHBondContact O-CB 3.41Å; H888-R892 PolarHBondContact O-N 3.06Å; H888-R892 VanDerWaalsContact O-N 3.08Å
889	P	45.8	Very low	50.4	Low	77 Å²	77	60.4 Å²	60.4	50%	0.5	36%	0.358	S	S	.	.	H	α-helix	trans	-58.4	-46.9	166.3	-26.6	35.7	0	0	0	113.1	G885 G886 L891 R892 V893	G885-P889 VanDerWaalsContact O-CD 3.3Å; G885-P889 WeakPolarHBondContact O-CD 3.38Å; G886-P889 WeakPolarHBondContact O-CD 2.99Å; P889-L891 PolarHBondContact O-N 3.44Å; P889-R892 WeakPolarHBondContact O-CB 3.5Å; P889-R892 PolarHBondContact O-N 2.81Å; P889-R892 VanDerWaalsContact O-N 3.09Å; P889-V893 WeakPolarHBondContact O-CG2 3.33Å; P889-V893 PolarHBondContact O-N 2.9Å
890	I	55.2	Low	49.7	Very low	54 Å²	54	62.8 Å²	62.8	28%	0.277	38%	0.378	S	S	.	.	H	α-helix	trans	-60.5	-51	-176	-62.4	171.1	0	0	0	111.5	W887 R892 V893 I894	W887-I890 PolarHBondContact O-N 3.31Å; I890-R892 VanDerWaalsContact C-N 3.27Å; I890-R892 PolarHBondContact O-N 3.09Å; I890-V893 PolarHBondContact O-N 3.23Å; I890-I894 HydrophobicContact CG2-CD1 3.82Å; I890-I894 WeakPolarHBondContact O-CB 3.34Å; I890-I894 WeakPolarHBondContact O-CD1 3.47Å; I890-I894 VanDerWaalsContact O-CG1 3.25Å; I890-I894 WeakPolarHBondContact O-CG1 3.21Å; I890-I894 PolarHBondContact O-N 2.81Å
891	L	56.7	Low	49.9	Very low	4 Å²	4	63.7 Å²	63.7	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-69.8	-24.4	176.1	-73.5	-165.9	0	0	0	113.1	W887 P889 I894 Q895 L910 F913 K939 V940	W887-L891 HydrophobicContact CE3-CB 4.19Å; W887-L891 HydrophobicContact CE3-CD1 3.63Å; W887-L891 HydrophobicContact CE3-CG 4Å; W887-L891 HydrophobicContact CZ3-CD1 3.88Å; W887-L891 PolarHBondContact O-N 3.46Å; P889-L891 PolarHBondContact O-N 3.44Å; L891-I894 HydrophobicContact CD2-CD1 4.17Å; L891-Q895 VanDerWaalsContact O-CB 3.24Å; L891-Q895 WeakPolarHBondContact O-CB 3.08Å; L891-Q895 WeakPolarHBondContact O-CG 3.5Å; L891-Q895 PolarHBondContact O-N 2.78Å; L891-L910 HydrophobicContact CD2-CD2 4.3Å; L891-F913 HydrophobicContact CD1-CE1 4.35Å; L891-F913 HydrophobicContact CD2-CD1 4.17Å; L891-F913 HydrophobicContact CD2-CE1 3.85Å; L891-F913 HydrophobicContact CG-CE1 4.09Å; L891-K939 HydrophobicContact CD1-CB 4.4Å; L891-V940 HydrophobicContact CD1-CG2 3.82Å; L891-V940 HydrophobicContact CD2-CG2 4.29Å
892	R	54	Low	50.4	Low	152 Å²	152	64.9 Å²	64.9	57%	0.574	37%	0.367	S	S	*	.	H	α-helix	trans	-68.7	-51.4	173.8	178.6	174.3	-172.2	170.7	7.8	110.8	H888 P889 I890 I894 Q895 E896	H888-R892 WeakPolarHBondContact O-CB 3.41Å; H888-R892 PolarHBondContact O-N 3.06Å; H888-R892 VanDerWaalsContact O-N 3.08Å; P889-R892 WeakPolarHBondContact O-CB 3.5Å; P889-R892 PolarHBondContact O-N 2.81Å; P889-R892 VanDerWaalsContact O-N 3.09Å; I890-R892 VanDerWaalsContact C-N 3.27Å; I890-R892 PolarHBondContact O-N 3.09Å; R892-I894 VanDerWaalsContact C-N 3.32Å; R892-I894 PolarHBondContact O-N 3.49Å; R892-Q895 PolarHBondContact O-N 2.98Å; R892-E896 HydrophobicContact CG-CG 4.31Å; R892-E896 VanDerWaalsContact CG-OE2 3.27Å; R892-E896 WeakPolarHBondContact CG-OE2 3.38Å; R892-E896 IonicContact CZ-OE1 3.55Å; R892-E896 VanDerWaalsContact CZ-OE1 3.29Å; R892-E896 IonicContact NE-OE1 2.73Å; R892-E896 PolarHBondContact NE-OE1 3.06Å; R892-E896 IonicContact NE-OE2 2.69Å; R892-E896 PolarHBondContact NE-OE2 3.3Å; R892-E896 IonicContact NH2-OE1 3.87Å; R892-E896 PolarHBondContact NH2-OE1 3.1Å; R892-E896 WeakPolarHBondContact O-CB 3.22Å; R892-E896 WeakPolarHBondContact O-CG 3.48Å; R892-E896 PolarHBondContact O-N 2.74Å
893	V	52	Low	51.4	Low	37 Å²	37	62.4 Å²	62.4	22%	0.224	35%	0.352	C	S	.	.	H	α-helix	trans	-57.7	-44.6	175.3	172.8	0	0	0	0	110.9	F732 P889 I890 Q895 E896 N897 W901	F732-V893 HydrophobicContact CE1-CG1 4.04Å; F732-V893 HydrophobicContact CZ-CG1 4.2Å; P889-V893 WeakPolarHBondContact O-CG2 3.33Å; P889-V893 PolarHBondContact O-N 2.9Å; I890-V893 PolarHBondContact O-N 3.23Å; V893-Q895 VanDerWaalsContact C-N 3.33Å; V893-Q895 PolarHBondContact O-N 3.44Å; V893-E896 PolarHBondContact O-N 2.84Å; V893-N897 WeakPolarHBondContact O-CB 3.45Å; V893-N897 PolarHBondContact O-N 2.82Å; V893-N897 PolarHBondContact O-ND2 2.9Å; V893-W901 HydrophobicContact CG1-CH2 3.98Å; V893-W901 HydrophobicContact CG1-CZ2 4.15Å
894	I	56.7	Low	51.8	Low	19 Å²	19	69 Å²	69	10%	0.097	38%	0.38	C	S	.	.	H	α-helix	trans	-62.7	-36.6	175.6	-68.1	163.9	0	0	0	111.9	I890 L891 R892 A898 W901 V906 L910	I890-I894 HydrophobicContact CG2-CD1 3.82Å; I890-I894 WeakPolarHBondContact O-CB 3.34Å; I890-I894 WeakPolarHBondContact O-CD1 3.47Å; I890-I894 VanDerWaalsContact O-CG1 3.25Å; I890-I894 WeakPolarHBondContact O-CG1 3.21Å; I890-I894 PolarHBondContact O-N 2.81Å; L891-I894 HydrophobicContact CD2-CD1 4.17Å; R892-I894 VanDerWaalsContact C-N 3.32Å; R892-I894 PolarHBondContact O-N 3.49Å; I894-A898 WeakPolarHBondContact O-CA 3.46Å; I894-A898 WeakPolarHBondContact O-CB 3.5Å; I894-A898 PolarHBondContact O-N 3.35Å; I894-A898 VanDerWaalsContact O-N 3.11Å; I894-W901 HydrophobicContact CG1-CH2 4.48Å; I894-W901 HydrophobicContact CG1-CZ3 3.89Å; I894-V906 HydrophobicContact CG2-CG1 4.22Å; I894-L910 HydrophobicContact CG2-CD2 4.27Å
895	Q	54.6	Low	52.6	Low	92 Å²	92	72.2 Å²	72.2	43%	0.43	38%	0.383	S	S	.	.	H	α-helix	trans	-77.4	-38.4	179.5	-79	177	-6.6	0	0	113.1	L891 R892 V893 T943	L891-Q895 VanDerWaalsContact O-CB 3.24Å; L891-Q895 WeakPolarHBondContact O-CB 3.08Å; L891-Q895 WeakPolarHBondContact O-CG 3.5Å; L891-Q895 PolarHBondContact O-N 2.78Å; R892-Q895 PolarHBondContact O-N 2.98Å; V893-Q895 VanDerWaalsContact C-N 3.33Å; V893-Q895 PolarHBondContact O-N 3.44Å; Q895-T943 HydrophobicContact CG-CG2 3.9Å; Q895-T943 PolarHBondContact NE2-OG1 2.91Å
896	E	50.9	Low	53.7	Low	110 Å²	110	70.3 Å²	70.3	51%	0.514	36%	0.363	S	S	.	.	H	α-helix	trans	-74.2	-28.2	179.6	-70.7	171.5	164.2	0	0	111.5	R892 V893	R892-E896 HydrophobicContact CG-CG 4.31Å; R892-E896 VanDerWaalsContact CG-OE2 3.27Å; R892-E896 WeakPolarHBondContact CG-OE2 3.38Å; R892-E896 IonicContact CZ-OE1 3.55Å; R892-E896 VanDerWaalsContact CZ-OE1 3.29Å; R892-E896 IonicContact NE-OE1 2.73Å; R892-E896 PolarHBondContact NE-OE1 3.06Å; R892-E896 IonicContact NE-OE2 2.69Å; R892-E896 PolarHBondContact NE-OE2 3.3Å; R892-E896 IonicContact NH2-OE1 3.87Å; R892-E896 PolarHBondContact NH2-OE1 3.1Å; R892-E896 WeakPolarHBondContact O-CB 3.22Å; R892-E896 WeakPolarHBondContact O-CG 3.48Å; R892-E896 PolarHBondContact O-N 2.74Å; V893-E896 PolarHBondContact O-N 2.84Å
897	N	51.4	Low	54.9	Low	57 Å²	57	69.7 Å²	69.7	31%	0.305	35%	0.346	S	S	.	.	S	Bend	trans	-103	6.6	176.2	-63.4	-80.2	0	0	0	114.7	V893 S899 S900 W901	V893-N897 WeakPolarHBondContact O-CB 3.45Å; V893-N897 PolarHBondContact O-N 2.82Å; V893-N897 PolarHBondContact O-ND2 2.9Å; N897-S899 PolarHBondContact O-N 3.14Å; N897-S900 PolarHBondContact O-N 3.17Å; N897-S900 PolarHBondContact O-OG 3.28Å; N897-S900 VanDerWaalsContact O-OG 3.05Å; N897-W901 HydrophobicContact CB-CD2 3.97Å; N897-W901 HydrophobicContact CB-CG 4.21Å; N897-W901 HydrophobicContact CB-CZ2 4.05Å; N897-W901 PolarHBondContact O-N 3.44Å; N897-W901 VanDerWaalsContact O-N 3.16Å
898	A	53.3	Low	55.3	Low	16 Å²	16	75.2 Å²	75.2	13%	0.132	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-19.4	-174.6	0	0	0	0	0	114.4	I894 H903 L947	I894-A898 WeakPolarHBondContact O-CA 3.46Å; I894-A898 WeakPolarHBondContact O-CB 3.5Å; I894-A898 PolarHBondContact O-N 3.35Å; I894-A898 VanDerWaalsContact O-N 3.11Å; A898-H903 PolarHBondContact O-CE1 3.06Å; A898-H903 VanDerWaalsContact O-CE1 3.24Å; A898-H903 PolarHBondContact O-ND1 3.14Å; A898-L947 HydrophobicContact CB-CD2 4.11Å
899	S	48.4	Very low	55.9	Low	106 Å²	106	72.3 Å²	72.3	74%	0.741	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-16	179.8	50.5	0	0	0	0	114.8	N897	N897-S899 PolarHBondContact O-N 3.14Å
900	S	44	Very low	57	Low	83 Å²	83	68.8 Å²	68.8	58%	0.58	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-25.8	179.2	54.2	0	0	0	0	112.9	N897	N897-S900 PolarHBondContact O-N 3.17Å; N897-S900 PolarHBondContact O-OG 3.28Å; N897-S900 VanDerWaalsContact O-OG 3.05Å
901	W	55.2	Low	57.9	Low	67 Å²	67	71.5 Å²	71.5	25%	0.254	35%	0.346	S	S	.	.	S	Bend	trans	-83	154.7	178.9	-66.5	0.6	0	0	0	113.1	V893 I894 N897 H903 V906	V893-W901 HydrophobicContact CG1-CH2 3.98Å; V893-W901 HydrophobicContact CG1-CZ2 4.15Å; I894-W901 HydrophobicContact CG1-CH2 4.48Å; I894-W901 HydrophobicContact CG1-CZ3 3.89Å; N897-W901 HydrophobicContact CB-CD2 3.97Å; N897-W901 HydrophobicContact CB-CG 4.21Å; N897-W901 HydrophobicContact CB-CZ2 4.05Å; N897-W901 PolarHBondContact O-N 3.44Å; N897-W901 VanDerWaalsContact O-N 3.16Å; W901-H903 PolarHBondContact O-N 3.49Å; W901-V906 HydrophobicContact CB-CG2 3.65Å; W901-V906 HydrophobicContact CE3-CG2 3.86Å
902	D	57.6	Low	58.4	Low	95 Å²	95	74 Å²	74	51%	0.508	36%	0.361	S	S	.	.			trans	-59.4	109.8	174.6	166.5	32	0	0	0	111.4	K904 R905 V906	D902-K904 PolarHBondContact O-N 3.01Å; D902-K904 WeakPolarHBondContact OD1-CB 3.49Å; D902-K904 PolarHBondContact OD1-N 3.39Å; D902-R905 HydrophobicContact CB-CB 4.13Å; D902-R905 PolarHBondContact O-N 3.45Å; D902-R905 VanDerWaalsContact O-N 3.15Å; D902-R905 VanDerWaalsContact OD2-CB 3.23Å; D902-R905 WeakPolarHBondContact OD2-CB 3.43Å; D902-R905 PolarHBondContact OD2-N 3.08Å; D902-V906 WeakPolarHBondContact O-CG2 3.36Å; D902-V906 PolarHBondContact O-N 3.48Å
903	H	62.9	Low	59.2	Low	55 Å²	55	67.1 Å²	67.1	26%	0.255	34%	0.336	S	S	.	.	H	α-helix	trans	-53.4	-27.1	177.7	-62.5	-39.1	0	0	0	113.8	A898 W901 K907	A898-H903 PolarHBondContact O-CE1 3.06Å; A898-H903 VanDerWaalsContact O-CE1 3.24Å; A898-H903 PolarHBondContact O-ND1 3.14Å; W901-H903 PolarHBondContact O-N 3.49Å; H903-K907 VanDerWaalsContact O-CB 3.32Å; H903-K907 WeakPolarHBondContact O-CB 3.39Å; H903-K907 WeakPolarHBondContact O-CD 2.97Å; H903-K907 WeakPolarHBondContact O-CG 3.43Å; H903-K907 PolarHBondContact O-N 3.16Å; H903-K907 VanDerWaalsContact O-N 3.1Å
904	K	58.5	Low	60.3	Low	163 Å²	163	66.7 Å²	66.7	71%	0.709	33%	0.332	S	S	*	.	H	α-helix	trans	-73.3	-51.7	177.5	-169.8	-179.5	178.3	-175.6	0	110.8	D902 K907 Q908	D902-K904 PolarHBondContact O-N 3.01Å; D902-K904 WeakPolarHBondContact OD1-CB 3.49Å; D902-K904 PolarHBondContact OD1-N 3.39Å; K904-K907 PolarHBondContact O-N 2.89Å; K904-Q908 PolarHBondContact O-N 3.06Å; K904-Q908 VanDerWaalsContact O-N 3.12Å
905	R	56.8	Low	61	Low	130 Å²	130	71.7 Å²	71.7	49%	0.491	36%	0.355	S	S	.	.	H	α-helix	trans	-58.1	-45.2	173	-174.4	170	175.9	162	-9	112	H789 D902 K907 Q908 Q909	H789-R905 PolarHBondContact CE1-NH2 2.91Å; H789-R905 VanDerWaalsContact CE1-NH2 3.28Å; H789-R905 PolarHBondContact NE2-NH2 2.93Å; D902-R905 HydrophobicContact CB-CB 4.13Å; D902-R905 PolarHBondContact O-N 3.45Å; D902-R905 VanDerWaalsContact O-N 3.15Å; D902-R905 VanDerWaalsContact OD2-CB 3.23Å; D902-R905 WeakPolarHBondContact OD2-CB 3.43Å; D902-R905 PolarHBondContact OD2-N 3.08Å; R905-K907 PolarHBondContact O-N 2.72Å; R905-Q908 PolarHBondContact O-N 3.09Å; R905-Q908 VanDerWaalsContact O-N 3.13Å; R905-Q909 WeakPolarHBondContact O-CG 3.43Å; R905-Q909 PolarHBondContact O-N 3.37Å
906	V	63.5	Low	61.6	Low	1 Å²	1	67.6 Å²	67.6	1%	0.006	34%	0.336	C	S	.	.	H	α-helix	trans	-64.3	-39.8	178.3	179.2	0	0	0	0	112.5	I894 W901 D902 Q908 Q909 L910 L947	I894-V906 HydrophobicContact CG2-CG1 4.22Å; W901-V906 HydrophobicContact CB-CG2 3.65Å; W901-V906 HydrophobicContact CE3-CG2 3.86Å; D902-V906 WeakPolarHBondContact O-CG2 3.36Å; D902-V906 PolarHBondContact O-N 3.48Å; V906-Q908 VanDerWaalsContact C-N 3.29Å; V906-Q908 PolarHBondContact O-N 3.11Å; V906-Q909 PolarHBondContact O-N 3.44Å; V906-L910 HydrophobicContact CG1-CD1 3.94Å; V906-L910 HydrophobicContact CG1-CG 4.36Å; V906-L910 WeakPolarHBondContact O-CB 3.39Å; V906-L910 WeakPolarHBondContact O-CG 3.44Å; V906-L910 PolarHBondContact O-N 2.95Å; V906-L947 HydrophobicContact CG1-CD1 3.73Å
907	K	68.9	Low	62.6	Low	35 Å²	35	62.4 Å²	62.4	15%	0.152	31%	0.312	C	S	.	.	H	α-helix	trans	-64.7	-32.7	173.5	-77.7	170.4	-175.8	173.3	0	112.6	H903 K904 R905 K911 L947 E948 S951	H903-K907 VanDerWaalsContact O-CB 3.32Å; H903-K907 WeakPolarHBondContact O-CB 3.39Å; H903-K907 WeakPolarHBondContact O-CD 2.97Å; H903-K907 WeakPolarHBondContact O-CG 3.43Å; H903-K907 PolarHBondContact O-N 3.16Å; H903-K907 VanDerWaalsContact O-N 3.1Å; K904-K907 PolarHBondContact O-N 2.89Å; R905-K907 PolarHBondContact O-N 2.72Å; K907-K911 VanDerWaalsContact O-CG 3.31Å; K907-K911 WeakPolarHBondContact O-CG 3.18Å; K907-K911 PolarHBondContact O-N 3.1Å; K907-L947 WeakPolarHBondContact CE-O 3.28Å; K907-L947 HydrophobicContact CG-CB 4.48Å; K907-L947 PolarHBondContact NZ-O 3.32Å; K907-E948 HydrophobicContact CD-CG 4.46Å; K907-S951 PolarHBondContact NZ-OG 2.96Å
908	Q	64.2	Low	63.7	Low	134 Å²	134	63 Å²	63	63%	0.626	31%	0.312	S	S	*	.	H	α-helix	trans	-73.1	-43.8	175.7	-168.6	168.1	-10.1	0	0	111.6	K904 R905 V906 L910 K911 V912	K904-Q908 PolarHBondContact O-N 3.06Å; K904-Q908 VanDerWaalsContact O-N 3.12Å; R905-Q908 PolarHBondContact O-N 3.09Å; R905-Q908 VanDerWaalsContact O-N 3.13Å; V906-Q908 VanDerWaalsContact C-N 3.29Å; V906-Q908 PolarHBondContact O-N 3.11Å; Q908-L910 PolarHBondContact O-N 3.21Å; Q908-K911 PolarHBondContact O-N 3.42Å; Q908-V912 PolarHBondContact O-N 2.99Å; Q908-V912 VanDerWaalsContact O-N 3.14Å
909	Q	63	Low	64.6	Low	32 Å²	32	63.4 Å²	63.4	15%	0.15	31%	0.31	C	S	.	.	H	α-helix	trans	-54.6	-51.3	172.4	-72.7	166.2	-11.1	0	0	112.3	Y817 R905 V906 K911 V912 F913	Y817-Q909 HydrophobicContact CE1-CG 3.92Å; Y817-Q909 WeakPolarHBondContact OH-CG 3.41Å; Y817-Q909 PolarHBondContact OH-NE2 3.43Å; R905-Q909 WeakPolarHBondContact O-CG 3.43Å; R905-Q909 PolarHBondContact O-N 3.37Å; V906-Q909 PolarHBondContact O-N 3.44Å; Q909-K911 PolarHBondContact O-N 3.25Å; Q909-V912 PolarHBondContact O-N 2.96Å; Q909-F913 PolarHBondContact O-N 3.2Å
910	L	70.1	Confident	65.5	Low	2 Å²	2	58.3 Å²	58.3	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-26.6	-179	-71	169.7	0	0	0	112.8	L891 I894 V906 Q908 L914 V940 T943 L944 L947	L891-L910 HydrophobicContact CD2-CD2 4.3Å; I894-L910 HydrophobicContact CG2-CD2 4.27Å; V906-L910 HydrophobicContact CG1-CD1 3.94Å; V906-L910 HydrophobicContact CG1-CG 4.36Å; V906-L910 WeakPolarHBondContact O-CB 3.39Å; V906-L910 WeakPolarHBondContact O-CG 3.44Å; V906-L910 PolarHBondContact O-N 2.95Å; Q908-L910 PolarHBondContact O-N 3.21Å; L910-L914 VanDerWaalsContact O-CB 3.27Å; L910-L914 WeakPolarHBondContact O-CB 3.2Å; L910-L914 PolarHBondContact O-N 2.88Å; L910-L914 VanDerWaalsContact O-N 3.14Å; L910-V940 HydrophobicContact CB-CG1 4.39Å; L910-V940 HydrophobicContact CD2-CG1 4.04Å; L910-V940 WeakPolarHBondContact O-CG1 3.47Å; L910-T943 HydrophobicContact CD1-CG2 4.23Å; L910-L944 HydrophobicContact CB-CD1 3.99Å; L910-L944 HydrophobicContact CB-CG 4.29Å; L910-L944 HydrophobicContact CD1-CB 4.27Å; L910-L947 HydrophobicContact CD1-CD1 3.75Å
911	K	73.6	Confident	66.8	Low	111 Å²	111	56.9 Å²	56.9	48%	0.483	26%	0.257	S	S	.	.	H	α-helix	trans	-72.8	-45.8	172.8	-73.6	175.8	-176.8	-173.8	0	112	K907 Q908 Q909 F913 L914 Q915 L944	K907-K911 VanDerWaalsContact O-CG 3.31Å; K907-K911 WeakPolarHBondContact O-CG 3.18Å; K907-K911 PolarHBondContact O-N 3.1Å; Q908-K911 PolarHBondContact O-N 3.42Å; Q909-K911 PolarHBondContact O-N 3.25Å; K911-F913 PolarHBondContact O-N 3.38Å; K911-L914 WeakPolarHBondContact O-CB 3.39Å; K911-L914 PolarHBondContact O-N 3.01Å; K911-Q915 WeakPolarHBondContact O-CG 3.37Å; K911-Q915 PolarHBondContact O-N 3.29Å; K911-L944 HydrophobicContact CG-CD1 3.94Å
912	V	67.5	Low	67.7	Low	57 Å²	57	59.4 Å²	59.4	35%	0.345	27%	0.272	S	S	.	.	H	α-helix	trans	-61.2	-43.9	176.5	174.9	0	0	0	0	111	F845 Q908 Q909 L914 Q915 D916	F845-V912 HydrophobicContact CD1-CG1 4.19Å; Q908-V912 PolarHBondContact O-N 2.99Å; Q908-V912 VanDerWaalsContact O-N 3.14Å; Q909-V912 PolarHBondContact O-N 2.96Å; V912-L914 VanDerWaalsContact C-N 3.32Å; V912-L914 PolarHBondContact O-N 3.04Å; V912-Q915 PolarHBondContact O-N 3Å; V912-D916 PolarHBondContact O-N 3.01Å
913	F	69.9	Low	68.2	Low	8 Å²	8	59.9 Å²	59.9	4%	0.035	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-34	176	-177.3	-143.8	0	0	0	112.8	F845 V877 W887 L891 Q909 K911 L917 V936 V940	F845-F913 HydrophobicContact CE1-CB 3.87Å; F845-F913 AromaticContact CE1-CD2 3.68Å; F845-F913 HydrophobicContact CE1-CD2 3.68Å; F845-F913 HydrophobicContact CE1-CG 4.12Å; F845-F913 HydrophobicContact CZ-CB 3.88Å; F845-F913 AromaticContact CZ-CD2 3.51Å; F845-F913 HydrophobicContact CZ-CD2 3.51Å; F845-F913 HydrophobicContact CZ-CE2 4.22Å; F845-F913 AromaticContact CZ-CG 3.83Å; F845-F913 HydrophobicContact CZ-CG 3.83Å; V877-F913 HydrophobicContact CG1-CE2 4.23Å; W887-F913 HydrophobicContact CB-CZ 4.15Å; L891-F913 HydrophobicContact CD1-CE1 4.35Å; L891-F913 HydrophobicContact CD2-CD1 4.17Å; L891-F913 HydrophobicContact CD2-CE1 3.85Å; L891-F913 HydrophobicContact CG-CE1 4.09Å; Q909-F913 PolarHBondContact O-N 3.2Å; K911-F913 PolarHBondContact O-N 3.38Å; F913-L917 HydrophobicContact CD1-CD1 4.24Å; F913-L917 HydrophobicContact CD2-CD1 4.08Å; F913-L917 HydrophobicContact CD2-CG 4.02Å; F913-L917 HydrophobicContact CE1-CD1 4.01Å; F913-L917 HydrophobicContact CE2-CD1 3.85Å; F913-L917 HydrophobicContact CE2-CD2 4.05Å; F913-L917 HydrophobicContact CE2-CG 3.77Å; F913-L917 HydrophobicContact CG-CD1 4.29Å; F913-L917 HydrophobicContact CZ-CD1 3.81Å; F913-L917 HydrophobicContact CZ-CD2 4.34Å; F913-L917 HydrophobicContact CZ-CG 4.2Å; F913-L917 WeakPolarHBondContact O-CB 3.12Å; F913-L917 VanDerWaalsContact O-CG 3.25Å; F913-L917 WeakPolarHBondContact O-CG 3.49Å; F913-L917 PolarHBondContact O-N 3.03Å; F913-V936 HydrophobicContact CZ-CG1 4.42Å; F913-V940 HydrophobicContact CD1-CG1 4.35Å; F913-V940 HydrophobicContact CD1-CG2 3.67Å; F913-V940 HydrophobicContact CE1-CG2 3.61Å
914	L	74.6	Confident	68.4	Low	27 Å²	27	58.7 Å²	58.7	14%	0.141	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-45	175.1	-167.7	162.7	0	0	0	111.1	L910 K911 V912 L917 E918 V940 Q941	L910-L914 VanDerWaalsContact O-CB 3.27Å; L910-L914 WeakPolarHBondContact O-CB 3.2Å; L910-L914 PolarHBondContact O-N 2.88Å; L910-L914 VanDerWaalsContact O-N 3.14Å; K911-L914 WeakPolarHBondContact O-CB 3.39Å; K911-L914 PolarHBondContact O-N 3.01Å; V912-L914 VanDerWaalsContact C-N 3.32Å; V912-L914 PolarHBondContact O-N 3.04Å; L914-L917 WeakPolarHBondContact O-CB 3.4Å; L914-L917 PolarHBondContact O-N 3.42Å; L914-E918 HydrophobicContact CD2-CG 4.2Å; L914-E918 WeakPolarHBondContact O-CG 3.42Å; L914-E918 PolarHBondContact O-N 2.7Å; L914-V940 HydrophobicContact CB-CG1 4.19Å; L914-Q941 HydrophobicContact CD1-CG 3.52Å; L914-Q941 HydrophobicContact CG-CG 4.48Å
915	Q	71.6	Confident	68.5	Low	125 Å²	125	57.4 Å²	57.4	58%	0.584	27%	0.27	S	S	*	.	H	α-helix	trans	-60.9	-45.3	175.2	-69.4	172.1	-60.4	0	0	111.9	K911 V912 L917 E918 W919	K911-Q915 WeakPolarHBondContact O-CG 3.37Å; K911-Q915 PolarHBondContact O-N 3.29Å; V912-Q915 PolarHBondContact O-N 3Å; Q915-L917 VanDerWaalsContact C-N 3.3Å; Q915-L917 PolarHBondContact O-N 2.68Å; Q915-E918 WeakPolarHBondContact O-CA 3.22Å; Q915-E918 WeakPolarHBondContact O-CB 3.3Å; Q915-E918 PolarHBondContact O-N 3.22Å; Q915-W919 PolarHBondContact O-N 3.48Å
916	D	68.3	Low	69.2	Low	5 Å²	5	53.3 Å²	53.3	3%	0.027	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-36.3	179	-159.7	47.7	0	0	0	111.9	K853 S876 V877 T878 V912 E918 G920	K853-D916 IonicContact NZ-OD1 2.76Å; K853-D916 PolarHBondContact NZ-OD1 3.43Å; S876-D916 VanDerWaalsContact CB-OD1 3.27Å; S876-D916 WeakPolarHBondContact CB-OD1 3.44Å; S876-D916 PolarHBondContact OG-OD1 2.94Å; S876-D916 PolarHBondContact OG-OD2 3.28Å; V877-D916 PolarHBondContact N-OD2 2.82Å; T878-D916 WeakPolarHBondContact CG2-O 3.34Å; V912-D916 PolarHBondContact O-N 3.01Å; D916-E918 VanDerWaalsContact C-N 3.33Å; D916-E918 PolarHBondContact O-N 3.28Å; D916-G920 PolarHBondContact O-N 2.86Å
917	L	72.1	Confident	69.3	Low	2 Å²	2	60.1 Å²	60.1	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-67.3	-26.2	169.4	-73	168.3	0	0	0	113.6	T878 F913 L914 Q915 R921 F933 V936 Q937 V940	T878-L917 HydrophobicContact CG2-CD2 4.34Å; F913-L917 HydrophobicContact CD1-CD1 4.24Å; F913-L917 HydrophobicContact CD2-CD1 4.08Å; F913-L917 HydrophobicContact CD2-CG 4.02Å; F913-L917 HydrophobicContact CE1-CD1 4.01Å; F913-L917 HydrophobicContact CE2-CD1 3.85Å; F913-L917 HydrophobicContact CE2-CD2 4.05Å; F913-L917 HydrophobicContact CE2-CG 3.77Å; F913-L917 HydrophobicContact CG-CD1 4.29Å; F913-L917 HydrophobicContact CZ-CD1 3.81Å; F913-L917 HydrophobicContact CZ-CD2 4.34Å; F913-L917 HydrophobicContact CZ-CG 4.2Å; F913-L917 WeakPolarHBondContact O-CB 3.12Å; F913-L917 VanDerWaalsContact O-CG 3.25Å; F913-L917 WeakPolarHBondContact O-CG 3.49Å; F913-L917 PolarHBondContact O-N 3.03Å; L914-L917 WeakPolarHBondContact O-CB 3.4Å; L914-L917 PolarHBondContact O-N 3.42Å; Q915-L917 VanDerWaalsContact C-N 3.3Å; Q915-L917 PolarHBondContact O-N 2.68Å; L917-R921 WeakPolarHBondContact O-CB 3.5Å; L917-R921 PolarHBondContact O-N 2.72Å; L917-F933 HydrophobicContact CD2-CD1 4.09Å; L917-F933 HydrophobicContact CD2-CE1 4.44Å; L917-F933 WeakPolarHBondContact O-CD1 3.45Å; L917-V936 HydrophobicContact CD1-CB 4.44Å; L917-V936 HydrophobicContact CD1-CG1 3.82Å; L917-V936 HydrophobicContact CD2-CB 4.44Å; L917-V936 HydrophobicContact CD2-CG1 4.17Å; L917-Q937 VanDerWaalsContact C-NE2 3.27Å; L917-Q937 HydrophobicContact CB-CG 3.81Å; L917-Q937 HydrophobicContact CD1-CG 4.28Å; L917-Q937 PolarHBondContact O-NE2 3.45Å; L917-V940 HydrophobicContact CD1-CG2 3.84Å
918	E	74	Confident	68.7	Low	68 Å²	68	67.7 Å²	67.7	32%	0.318	32%	0.319	S	S	.	.	H	α-helix	trans	-74.1	-49.2	174.3	-72.4	-164.4	124.4	0	0	111.7	L914 Q915 D916 G920 R921 E922	L914-E918 HydrophobicContact CD2-CG 4.2Å; L914-E918 WeakPolarHBondContact O-CG 3.42Å; L914-E918 PolarHBondContact O-N 2.7Å; Q915-E918 WeakPolarHBondContact O-CA 3.22Å; Q915-E918 WeakPolarHBondContact O-CB 3.3Å; Q915-E918 PolarHBondContact O-N 3.22Å; D916-E918 VanDerWaalsContact C-N 3.33Å; D916-E918 PolarHBondContact O-N 3.28Å; E918-G920 PolarHBondContact O-N 3.42Å; E918-R921 WeakPolarHBondContact O-CB 3.27Å; E918-R921 PolarHBondContact O-N 2.67Å; E918-R921 IonicContact OE1-CZ 3.6Å; E918-R921 IonicContact OE1-NH1 3.8Å; E918-R921 PolarHBondContact OE1-NH1 2.75Å; E918-R921 VanDerWaalsContact OE1-NH1 3.13Å; E918-R921 IonicContact OE1-NH2 3.81Å; E918-R921 PolarHBondContact OE1-NH2 3.29Å; E918-E922 PolarHBondContact O-N 3.13Å
919	W	71.3	Confident	68.4	Low	25 Å²	25	66.3 Å²	66.3	10%	0.095	31%	0.308	C	S	.	.	H	α-helix	trans	-55.3	-51.1	173.6	-177.8	93.5	0	0	0	111.7	D850 K853 Q854 E879 Q915 R921 E922 K923	D850-W919 VanDerWaalsContact OD2-CD1 3.27Å; K853-W919 HydrophobicContact CB-CZ2 4.45Å; Q854-W919 HydrophobicContact CG-CZ2 4.22Å; E879-W919 HydrophobicContact CG-CH2 4.14Å; E879-W919 HydrophobicContact CG-CZ3 3.96Å; E879-W919 WeakPolarHBondContact OE1-CH2 3.39Å; Q915-W919 PolarHBondContact O-N 3.48Å; W919-R921 VanDerWaalsContact C-N 3.32Å; W919-R921 PolarHBondContact O-N 3.4Å; W919-E922 PolarHBondContact O-N 3.39Å; W919-E922 VanDerWaalsContact O-N 3.08Å; W919-K923 HydrophobicContact CD2-CG 4.02Å; W919-K923 VanDerWaalsContact CE2-CE 3.41Å; W919-K923 HydrophobicContact CE3-CG 4.09Å; W919-K923 HydrophobicContact CH2-CG 4.16Å; W919-K923 HydrophobicContact CZ2-CD 4.35Å; W919-K923 HydrophobicContact CZ2-CG 4.11Å; W919-K923 HydrophobicContact CZ3-CG 4.14Å; W919-K923 WeakPolarHBondContact O-CG 3.49Å; W919-K923 PolarHBondContact O-N 3.36Å; W919-K923 VanDerWaalsContact O-N 3.07Å
920	G	68.7	Low	68.5	Low	0 Å²	0	70.4 Å²	70.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-36.6	-179.3	0	0	0	0	0	113.7	T878 D916 E918 E922 K923 Q924 F933	T878-G920 WeakPolarHBondContact OG1-CA 3.18Å; D916-G920 PolarHBondContact O-N 2.86Å; E918-G920 PolarHBondContact O-N 3.42Å; G920-E922 VanDerWaalsContact C-N 3.25Å; G920-E922 PolarHBondContact O-N 3.08Å; G920-K923 PolarHBondContact O-N 3.14Å; G920-Q924 WeakPolarHBondContact O-CG 3.37Å; G920-Q924 PolarHBondContact O-N 3Å; G920-F933 VanDerWaalsContact C-CZ 3.45Å; G920-F933 WeakPolarHBondContact O-CZ 3.16Å
921	R	71.5	Confident	68.2	Low	52 Å²	52	74.3 Å²	74.3	20%	0.196	34%	0.342	C	S	.	.	H	α-helix	trans	-59.7	-37.6	174.7	173.8	-167.9	70.2	-159.4	-0.2	111.2	L917 E918 W919 F933	L917-R921 WeakPolarHBondContact O-CB 3.5Å; L917-R921 PolarHBondContact O-N 2.72Å; E918-R921 WeakPolarHBondContact O-CB 3.27Å; E918-R921 PolarHBondContact O-N 2.67Å; E918-R921 IonicContact OE1-CZ 3.6Å; E918-R921 IonicContact OE1-NH1 3.8Å; E918-R921 PolarHBondContact OE1-NH1 2.75Å; E918-R921 VanDerWaalsContact OE1-NH1 3.13Å; E918-R921 IonicContact OE1-NH2 3.81Å; E918-R921 PolarHBondContact OE1-NH2 3.29Å; W919-R921 VanDerWaalsContact C-N 3.32Å; W919-R921 PolarHBondContact O-N 3.4Å; R921-F933 HydrophobicContact CB-CB 3.9Å; R921-F933 HydrophobicContact CB-CD1 3.89Å; R921-F933 HydrophobicContact CB-CG 4.01Å; R921-F933 HydrophobicContact CG-CB 4.17Å; R921-F933 VanDerWaalsContact N-CE1 3.29Å
922	E	72.6	Confident	67.7	Low	121 Å²	121	72.6 Å²	72.6	57%	0.565	34%	0.336	S	S	*	.	H	α-helix	trans	-79	-37.1	-177.2	-76.8	158.5	-149.3	0	0	112.3	E918 W919 G920 Q924 R930	E918-E922 PolarHBondContact O-N 3.13Å; W919-E922 PolarHBondContact O-N 3.39Å; W919-E922 VanDerWaalsContact O-N 3.08Å; G920-E922 VanDerWaalsContact C-N 3.25Å; G920-E922 PolarHBondContact O-N 3.08Å; E922-Q924 VanDerWaalsContact C-N 3.29Å; E922-Q924 PolarHBondContact O-N 3.04Å; E922-R930 PolarHBondContact O-NH2 2.91Å
923	K	68	Low	67.6	Low	105 Å²	105	70.2 Å²	70.2	46%	0.457	32%	0.321	S	S	.	.	H	α-helix	trans	-67	-21.8	173.1	-59.9	-65.9	-174.9	179.3	0	113.8	Q854 W919 G920	Q854-K923 VanDerWaalsContact CD-NZ 3.31Å; W919-K923 HydrophobicContact CD2-CG 4.02Å; W919-K923 VanDerWaalsContact CE2-CE 3.41Å; W919-K923 HydrophobicContact CE3-CG 4.09Å; W919-K923 HydrophobicContact CH2-CG 4.16Å; W919-K923 HydrophobicContact CZ2-CD 4.35Å; W919-K923 HydrophobicContact CZ2-CG 4.11Å; W919-K923 HydrophobicContact CZ3-CG 4.14Å; W919-K923 WeakPolarHBondContact O-CG 3.49Å; W919-K923 PolarHBondContact O-N 3.36Å; W919-K923 VanDerWaalsContact O-N 3.07Å; G920-K923 PolarHBondContact O-N 3.14Å
924	Q	68.9	Low	67.7	Low	30 Å²	30	77.4 Å²	77.4	14%	0.14	35%	0.347	C	S	.	.			trans	-70.7	138.9	175.7	-70.2	-52.3	-56.7	0	0	113	G920 E922 R929 R930 F933	G920-Q924 WeakPolarHBondContact O-CG 3.37Å; G920-Q924 PolarHBondContact O-N 3Å; E922-Q924 VanDerWaalsContact C-N 3.29Å; E922-Q924 PolarHBondContact O-N 3.04Å; Q924-R929 HydrophobicContact CB-CB 4.39Å; Q924-R929 HydrophobicContact CG-CB 4.05Å; Q924-R930 HydrophobicContact CB-CG 4.1Å; Q924-R930 PolarHBondContact O-NE 2.93Å; Q924-R930 PolarHBondContact O-NH2 3Å; Q924-F933 HydrophobicContact CG-CD2 4.02Å; Q924-F933 HydrophobicContact CG-CE2 3.34Å; Q924-F933 HydrophobicContact CG-CZ 3.92Å
925	T	60.2	Low	67.3	Low	135 Å²	135	82.8 Å²	82.8	83%	0.828	37%	0.37	S	S	*	.			trans	-88.3	-33.3	169.5	52.6	0	0	0	0	113.4
926	S	71.7	Confident	67	Low	44 Å²	44	76.9 Å²	76.9	31%	0.308	34%	0.342	S	S	.	.			trans	-75.2	125.7	-175.4	172.1	0	0	0	0	113	W928 R929 R930	S926-W928 VanDerWaalsContact C-N 3.34Å; S926-W928 PolarHBondContact O-N 3.38Å; S926-R929 PolarHBondContact O-N 3.42Å; S926-R930 WeakPolarHBondContact O-CG 3.47Å; S926-R930 PolarHBondContact O-N 2.89Å
927	F	63.8	Low	67.2	Low	145 Å²	145	77 Å²	77	64%	0.636	34%	0.342	S	S	*	.	H	α-helix	trans	-56.1	-44.4	175.4	178.7	-94.8	0	0	0	112.7	R929 R930 L931	F927-R929 VanDerWaalsContact C-N 3.34Å; F927-R929 PolarHBondContact O-N 3.37Å; F927-R930 WeakPolarHBondContact O-CB 3.3Å; F927-R930 PolarHBondContact O-N 3.44Å; F927-L931 WeakPolarHBondContact O-CB 3.41Å; F927-L931 PolarHBondContact O-N 2.98Å
928	W	56.3	Low	67.4	Low	194 Å²	194	83.6 Å²	83.6	74%	0.735	37%	0.371	S	S	*	.	H	α-helix	trans	-64.9	-37.1	178.9	-70.3	111.8	0	0	0	112.3	S926 L931 H932	S926-W928 VanDerWaalsContact C-N 3.34Å; S926-W928 PolarHBondContact O-N 3.38Å; W928-L931 HydrophobicContact CE3-CD2 4.02Å; W928-L931 HydrophobicContact CZ3-CD2 3.96Å; W928-L931 PolarHBondContact O-N 2.81Å; W928-H932 PolarHBondContact O-N 3.27Å
929	R	59.3	Low	67	Low	105 Å²	105	84.7 Å²	84.7	40%	0.396	38%	0.375	S	S	.	.	H	α-helix	trans	-65.6	-50.2	171.6	-68.5	-173.1	173.2	166.2	-2.5	110.5	Q924 S926 F927 L931 H932 F933	Q924-R929 HydrophobicContact CB-CB 4.39Å; Q924-R929 HydrophobicContact CG-CB 4.05Å; S926-R929 PolarHBondContact O-N 3.42Å; F927-R929 VanDerWaalsContact C-N 3.34Å; F927-R929 PolarHBondContact O-N 3.37Å; R929-L931 PolarHBondContact O-N 2.72Å; R929-L931 VanDerWaalsContact O-N 3.16Å; R929-H932 WeakPolarHBondContact O-CA 3.47Å; R929-H932 WeakPolarHBondContact O-CB 3.36Å; R929-H932 PolarHBondContact O-N 3.42Å; R929-F933 VanDerWaalsContact O-CD2 3.32Å; R929-F933 WeakPolarHBondContact O-CD2 3.49Å; R929-F933 PolarHBondContact O-N 3.16Å
930	R	65.4	Low	67	Low	117 Å²	117	83.5 Å²	83.5	44%	0.442	37%	0.37	S	S	.	.	H	α-helix	trans	-51.6	-39.6	174.8	-71.6	-178.4	174.2	-169.4	-3.9	112.8	E922 Q924 S926 F927 R934	E922-R930 PolarHBondContact O-NH2 2.91Å; Q924-R930 HydrophobicContact CB-CG 4.1Å; Q924-R930 PolarHBondContact O-NE 2.93Å; Q924-R930 PolarHBondContact O-NH2 3Å; S926-R930 WeakPolarHBondContact O-CG 3.47Å; S926-R930 PolarHBondContact O-N 2.89Å; F927-R930 WeakPolarHBondContact O-CB 3.3Å; F927-R930 PolarHBondContact O-N 3.44Å; R930-R934 WeakPolarHBondContact O-CB 3.35Å; R930-R934 PolarHBondContact O-N 3.2Å; R930-R934 VanDerWaalsContact O-N 3.13Å
931	L	64.1	Low	67.5	Low	84 Å²	84	87 Å²	87	44%	0.44	39%	0.387	S	S	.	.	H	α-helix	trans	-68.6	-40.2	176.1	-167.4	70.3	0	0	0	112.5	F927 W928 R929 R934 K935	F927-L931 WeakPolarHBondContact O-CB 3.41Å; F927-L931 PolarHBondContact O-N 2.98Å; W928-L931 HydrophobicContact CE3-CD2 4.02Å; W928-L931 HydrophobicContact CZ3-CD2 3.96Å; W928-L931 PolarHBondContact O-N 2.81Å; R929-L931 PolarHBondContact O-N 2.72Å; R929-L931 VanDerWaalsContact O-N 3.16Å; L931-R934 PolarHBondContact O-N 3.1Å; L931-K935 PolarHBondContact O-N 3.01Å
932	H	62	Low	67.7	Low	76 Å²	76	86.7 Å²	86.7	35%	0.352	40%	0.395	S	S	.	.	H	α-helix	trans	-64.2	-46.7	175.3	-170.9	91.1	0	0	0	112	I883 S884 W887 W928 R929 R934 K935 V936	I883-H932 WeakPolarHBondContact CB-NE2 3.17Å; I883-H932 WeakPolarHBondContact CG2-NE2 3.49Å; I883-H932 PolarHBondContact O-NE2 3.01Å; S884-H932 PolarHBondContact N-NE2 3.02Å; W887-H932 AromaticContact NE1-NE2 3.23Å; W887-H932 PolarHBondContact NE1-NE2 3.43Å; W928-H932 PolarHBondContact O-N 3.27Å; R929-H932 WeakPolarHBondContact O-CA 3.47Å; R929-H932 WeakPolarHBondContact O-CB 3.36Å; R929-H932 PolarHBondContact O-N 3.42Å; H932-R934 VanDerWaalsContact C-N 3.3Å; H932-R934 PolarHBondContact O-N 3.05Å; H932-K935 WeakPolarHBondContact O-CA 3.34Å; H932-K935 VanDerWaalsContact O-CB 3.29Å; H932-K935 WeakPolarHBondContact O-CB 3.49Å; H932-K935 PolarHBondContact O-N 3.31Å; H932-V936 PolarHBondContact O-N 3.24Å
933	F	65.3	Low	67.5	Low	6 Å²	6	81.3 Å²	81.3	3%	0.026	37%	0.371	C	S	.	.	H	α-helix	trans	-50.9	-49.5	170.5	-88.8	-97.7	0	0	0	111.5	T878 I883 L917 G920 R921 Q924 R929 K935 V936 Q937	T878-F933 HydrophobicContact CG2-CE1 3.63Å; T878-F933 HydrophobicContact CG2-CZ 4.24Å; I883-F933 HydrophobicContact CD1-CD1 4.08Å; I883-F933 HydrophobicContact CD1-CD2 4Å; I883-F933 HydrophobicContact CD1-CE1 3.52Å; I883-F933 HydrophobicContact CD1-CE2 3.43Å; I883-F933 VanDerWaalsContact CD1-CE2 3.43Å; I883-F933 HydrophobicContact CD1-CG 4.33Å; I883-F933 HydrophobicContact CD1-CZ 3.2Å; L917-F933 HydrophobicContact CD2-CD1 4.09Å; L917-F933 HydrophobicContact CD2-CE1 4.44Å; L917-F933 WeakPolarHBondContact O-CD1 3.45Å; G920-F933 VanDerWaalsContact C-CZ 3.45Å; G920-F933 WeakPolarHBondContact O-CZ 3.16Å; R921-F933 HydrophobicContact CB-CB 3.9Å; R921-F933 HydrophobicContact CB-CD1 3.89Å; R921-F933 HydrophobicContact CB-CG 4.01Å; R921-F933 HydrophobicContact CG-CB 4.17Å; R921-F933 VanDerWaalsContact N-CE1 3.29Å; Q924-F933 HydrophobicContact CG-CD2 4.02Å; Q924-F933 HydrophobicContact CG-CE2 3.34Å; Q924-F933 HydrophobicContact CG-CZ 3.92Å; R929-F933 VanDerWaalsContact O-CD2 3.32Å; R929-F933 WeakPolarHBondContact O-CD2 3.49Å; R929-F933 PolarHBondContact O-N 3.16Å; F933-K935 PolarHBondContact O-N 3.07Å; F933-V936 PolarHBondContact O-N 3.04Å; F933-V936 VanDerWaalsContact O-N 3.08Å; F933-Q937 WeakPolarHBondContact O-CG 3.25Å; F933-Q937 PolarHBondContact O-N 2.97Å
934	R	71.4	Confident	67.9	Low	159 Å²	159	77 Å²	77	60%	0.6	35%	0.353	S	S	*	.	H	α-helix	trans	-63.9	-24.4	178.7	-158.1	174.4	-171	178.9	3.3	113.3	R930 L931 H932 K938	R930-R934 WeakPolarHBondContact O-CB 3.35Å; R930-R934 PolarHBondContact O-N 3.2Å; R930-R934 VanDerWaalsContact O-N 3.13Å; L931-R934 PolarHBondContact O-N 3.1Å; H932-R934 VanDerWaalsContact C-N 3.3Å; H932-R934 PolarHBondContact O-N 3.05Å; R934-K938 WeakPolarHBondContact O-CG 3.46Å; R934-K938 PolarHBondContact O-N 3.46Å
935	K	67.1	Low	68.4	Low	140 Å²	140	81.3 Å²	81.3	61%	0.609	37%	0.373	S	S	*	.	H	α-helix	trans	-76	-38	172.4	-169.8	-179	-179	-178.4	0	112	L931 H932 F933 K939	L931-K935 PolarHBondContact O-N 3.01Å; H932-K935 WeakPolarHBondContact O-CA 3.34Å; H932-K935 VanDerWaalsContact O-CB 3.29Å; H932-K935 WeakPolarHBondContact O-CB 3.49Å; H932-K935 PolarHBondContact O-N 3.31Å; F933-K935 PolarHBondContact O-N 3.07Å; K935-K939 PolarHBondContact O-N 3.19Å
936	V	64.9	Low	69	Low	1 Å²	1	82.9 Å²	82.9	1%	0.006	36%	0.363	C	S	.	.	H	α-helix	trans	-69.6	-46.8	174.1	-175.4	0	0	0	0	110.6	I883 W887 F913 L917 H932 F933 K938 K939 V940	I883-V936 HydrophobicContact CG2-CG2 4.04Å; W887-V936 HydrophobicContact CD2-CG1 3.93Å; W887-V936 HydrophobicContact CD2-CG2 4.09Å; W887-V936 HydrophobicContact CE3-CG1 4.1Å; W887-V936 HydrophobicContact CG-CG1 4.21Å; W887-V936 HydrophobicContact CG-CG2 4.49Å; W887-V936 HydrophobicContact CH2-CG2 4.46Å; W887-V936 HydrophobicContact CZ2-CG2 3.81Å; F913-V936 HydrophobicContact CZ-CG1 4.42Å; L917-V936 HydrophobicContact CD1-CB 4.44Å; L917-V936 HydrophobicContact CD1-CG1 3.82Å; L917-V936 HydrophobicContact CD2-CB 4.44Å; L917-V936 HydrophobicContact CD2-CG1 4.17Å; H932-V936 PolarHBondContact O-N 3.24Å; F933-V936 PolarHBondContact O-N 3.04Å; F933-V936 VanDerWaalsContact O-N 3.08Å; V936-K938 VanDerWaalsContact C-N 3.29Å; V936-K938 PolarHBondContact O-N 3.49Å; V936-K939 WeakPolarHBondContact O-CA 3.21Å; V936-K939 WeakPolarHBondContact O-CB 3.27Å; V936-K939 PolarHBondContact O-N 3.34Å; V936-V940 HydrophobicContact CG1-CG2 4.39Å; V936-V940 PolarHBondContact O-N 2.94Å
937	Q	73.3	Confident	68.8	Low	7 Å²	7	81 Å²	81	3%	0.033	35%	0.35	C	S	.	.	H	α-helix	trans	-50	-47.3	174.8	-74.3	176.8	-23.9	0	0	112.5	L917 F933 K939 V940 Q941	L917-Q937 VanDerWaalsContact C-NE2 3.27Å; L917-Q937 HydrophobicContact CB-CG 3.81Å; L917-Q937 HydrophobicContact CD1-CG 4.28Å; L917-Q937 PolarHBondContact O-NE2 3.45Å; F933-Q937 WeakPolarHBondContact O-CG 3.25Å; F933-Q937 PolarHBondContact O-N 2.97Å; Q937-K939 VanDerWaalsContact C-N 3.29Å; Q937-K939 PolarHBondContact O-N 3.27Å; Q937-V940 PolarHBondContact O-N 3.16Å; Q937-Q941 WeakPolarHBondContact O-CB 3.45Å; Q937-Q941 VanDerWaalsContact O-CG 3.3Å; Q937-Q941 WeakPolarHBondContact O-CG 3.22Å; Q937-Q941 PolarHBondContact O-N 2.68Å
938	K	74.8	Confident	69.2	Low	142 Å²	142	78.2 Å²	78.2	62%	0.617	34%	0.339	S	S	*	.	H	α-helix	trans	-60.6	-33.2	176.5	-79.9	-177.5	171.9	-169.3	0	113.6	R934 V936 A942	R934-K938 WeakPolarHBondContact O-CG 3.46Å; R934-K938 PolarHBondContact O-N 3.46Å; V936-K938 VanDerWaalsContact C-N 3.29Å; V936-K938 PolarHBondContact O-N 3.49Å; K938-A942 VanDerWaalsContact O-CB 3.28Å; K938-A942 WeakPolarHBondContact O-CB 3.36Å; K938-A942 PolarHBondContact O-N 3Å
939	K	66.5	Low	69.7	Low	90 Å²	90	76 Å²	76	39%	0.391	33%	0.334	S	S	.	.	H	α-helix	trans	-73.7	-39.7	175.2	-75.4	-174.6	167.5	-164.8	0	112.4	W887 L891 K935 V936 Q937 A942 T943	W887-K939 HydrophobicContact CH2-CD 3.61Å; W887-K939 HydrophobicContact CZ3-CD 3.78Å; L891-K939 HydrophobicContact CD1-CB 4.4Å; K935-K939 PolarHBondContact O-N 3.19Å; V936-K939 WeakPolarHBondContact O-CA 3.21Å; V936-K939 WeakPolarHBondContact O-CB 3.27Å; V936-K939 PolarHBondContact O-N 3.34Å; Q937-K939 VanDerWaalsContact C-N 3.29Å; Q937-K939 PolarHBondContact O-N 3.27Å; K939-A942 PolarHBondContact O-N 3.26Å; K939-T943 PolarHBondContact O-N 3.47Å; K939-T943 VanDerWaalsContact O-N 3.08Å; K939-T943 PolarHBondContact O-OG1 2.89Å
940	V	70.8	Confident	69.6	Low	0 Å²	0	74.9 Å²	74.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.3	-50.8	173.4	178	0	0	0	0	109.9	L891 L910 F913 L914 L917 V936 Q937 A942 T943 L944	L891-V940 HydrophobicContact CD1-CG2 3.82Å; L891-V940 HydrophobicContact CD2-CG2 4.29Å; L910-V940 HydrophobicContact CB-CG1 4.39Å; L910-V940 HydrophobicContact CD2-CG1 4.04Å; L910-V940 WeakPolarHBondContact O-CG1 3.47Å; F913-V940 HydrophobicContact CD1-CG1 4.35Å; F913-V940 HydrophobicContact CD1-CG2 3.67Å; F913-V940 HydrophobicContact CE1-CG2 3.61Å; L914-V940 HydrophobicContact CB-CG1 4.19Å; L917-V940 HydrophobicContact CD1-CG2 3.84Å; V936-V940 HydrophobicContact CG1-CG2 4.39Å; V936-V940 PolarHBondContact O-N 2.94Å; Q937-V940 PolarHBondContact O-N 3.16Å; V940-A942 PolarHBondContact O-N 3.42Å; V940-T943 WeakPolarHBondContact O-CB 3.28Å; V940-T943 PolarHBondContact O-N 2.66Å; V940-T943 VanDerWaalsContact O-N 3.15Å; V940-L944 WeakPolarHBondContact O-CB 3.26Å; V940-L944 PolarHBondContact O-N 3.21Å
941	Q	79.9	Confident	69	Low	75 Å²	75	71.5 Å²	71.5	35%	0.35	33%	0.331	S	S	.	.	H	α-helix	trans	-57.1	-45	176.1	-73.6	170.7	-15.2	0	0	112.6	L914 Q937 T943 L944 Q945	L914-Q941 HydrophobicContact CD1-CG 3.52Å; L914-Q941 HydrophobicContact CG-CG 4.48Å; Q937-Q941 WeakPolarHBondContact O-CB 3.45Å; Q937-Q941 VanDerWaalsContact O-CG 3.3Å; Q937-Q941 WeakPolarHBondContact O-CG 3.22Å; Q937-Q941 PolarHBondContact O-N 2.68Å; Q941-T943 VanDerWaalsContact C-N 3.32Å; Q941-T943 PolarHBondContact O-N 2.99Å; Q941-L944 PolarHBondContact O-N 3.31Å; Q941-Q945 WeakPolarHBondContact O-CB 3.21Å; Q941-Q945 WeakPolarHBondContact O-CG 3.49Å; Q941-Q945 PolarHBondContact O-N 2.85Å
942	A	75.5	Confident	68.2	Low	45 Å²	45	70.7 Å²	70.7	37%	0.372	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-33.3	177.8	0	0	0	0	0	113.2	K938 K939 V940 R946	K938-A942 VanDerWaalsContact O-CB 3.28Å; K938-A942 WeakPolarHBondContact O-CB 3.36Å; K938-A942 PolarHBondContact O-N 3Å; K939-A942 PolarHBondContact O-N 3.26Å; V940-A942 PolarHBondContact O-N 3.42Å; A942-R946 WeakPolarHBondContact O-CG 3.49Å; A942-R946 PolarHBondContact O-N 2.87Å
943	T	68.7	Low	67.5	Low	8 Å²	8	71 Å²	71	5%	0.049	34%	0.343	C	S	.	.	H	α-helix	trans	-69.7	-45.4	175	-51.1	0	0	0	0	110.7	Q895 L910 K939 V940 Q941 Q945 R946 L947	Q895-T943 HydrophobicContact CG-CG2 3.9Å; Q895-T943 PolarHBondContact NE2-OG1 2.91Å; L910-T943 HydrophobicContact CD1-CG2 4.23Å; K939-T943 PolarHBondContact O-N 3.47Å; K939-T943 VanDerWaalsContact O-N 3.08Å; K939-T943 PolarHBondContact O-OG1 2.89Å; V940-T943 WeakPolarHBondContact O-CB 3.28Å; V940-T943 PolarHBondContact O-N 2.66Å; V940-T943 VanDerWaalsContact O-N 3.15Å; Q941-T943 VanDerWaalsContact C-N 3.32Å; Q941-T943 PolarHBondContact O-N 2.99Å; T943-Q945 PolarHBondContact O-N 2.88Å; T943-R946 PolarHBondContact O-N 3.45Å; T943-L947 HydrophobicContact CG2-CD1 4.48Å; T943-L947 PolarHBondContact O-N 2.91Å
944	L	76.3	Confident	66.4	Low	14 Å²	14	76.7 Å²	76.7	7%	0.073	37%	0.368	C	S	.	.	H	α-helix	trans	-60.2	-45.1	177.6	-159.4	167	0	0	0	111.1	L910 K911 V940 Q941 R946 L947 E948	L910-L944 HydrophobicContact CB-CD1 3.99Å; L910-L944 HydrophobicContact CB-CG 4.29Å; L910-L944 HydrophobicContact CD1-CB 4.27Å; K911-L944 HydrophobicContact CG-CD1 3.94Å; V940-L944 WeakPolarHBondContact O-CB 3.26Å; V940-L944 PolarHBondContact O-N 3.21Å; Q941-L944 PolarHBondContact O-N 3.31Å; L944-R946 VanDerWaalsContact C-N 3.33Å; L944-R946 PolarHBondContact O-N 3.36Å; L944-L947 PolarHBondContact O-N 3.23Å; L944-E948 HydrophobicContact CD2-CG 3.98Å; L944-E948 VanDerWaalsContact CD2-OE1 3.26Å; L944-E948 WeakPolarHBondContact CD2-OE1 3.19Å; L944-E948 PolarHBondContact O-N 3.09Å
945	Q	79.1	Confident	64.8	Low	120 Å²	120	74.5 Å²	74.5	56%	0.561	37%	0.372	S	S	*	.	H	α-helix	trans	-64.5	-29.3	176.8	-74.9	177.2	-3.3	0	0	114.3	Q941 T943 K949	Q941-Q945 WeakPolarHBondContact O-CB 3.21Å; Q941-Q945 WeakPolarHBondContact O-CG 3.49Å; Q941-Q945 PolarHBondContact O-N 2.85Å; T943-Q945 PolarHBondContact O-N 2.88Å; Q945-K949 WeakPolarHBondContact O-CG 3.41Å; Q945-K949 PolarHBondContact O-N 2.99Å
946	R	72.9	Confident	63.2	Low	168 Å²	168	80 Å²	80	63%	0.634	40%	0.396	S	S	*	.	H	α-helix	trans	-66.6	-51.8	171.1	-73.9	174.2	-179.4	-171.1	-1.7	110.2	A942 T943 L944 E948 K949 D950	A942-R946 WeakPolarHBondContact O-CG 3.49Å; A942-R946 PolarHBondContact O-N 2.87Å; T943-R946 PolarHBondContact O-N 3.45Å; L944-R946 VanDerWaalsContact C-N 3.33Å; L944-R946 PolarHBondContact O-N 3.36Å; R946-E948 PolarHBondContact O-N 3.14Å; R946-E948 VanDerWaalsContact O-N 3.16Å; R946-K949 WeakPolarHBondContact O-CA 3.32Å; R946-K949 WeakPolarHBondContact O-CB 3.44Å; R946-K949 PolarHBondContact O-N 3.03Å; R946-D950 VanDerWaalsContact O-CG 3.31Å; R946-D950 PolarHBondContact O-N 3.27Å
947	L	67.9	Low	63.1	Low	6 Å²	6	84 Å²	84	3%	0.031	42%	0.416	C	S	.	.	H	α-helix	trans	-60.8	-26.9	178.6	-68.4	168.3	0	0	0	113.4	A898 V906 K907 L910 T943 L944 S951	A898-L947 HydrophobicContact CB-CD2 4.11Å; V906-L947 HydrophobicContact CG1-CD1 3.73Å; K907-L947 WeakPolarHBondContact CE-O 3.28Å; K907-L947 HydrophobicContact CG-CB 4.48Å; K907-L947 PolarHBondContact NZ-O 3.32Å; L910-L947 HydrophobicContact CD1-CD1 3.75Å; T943-L947 HydrophobicContact CG2-CD1 4.48Å; T943-L947 PolarHBondContact O-N 2.91Å; L944-L947 PolarHBondContact O-N 3.23Å; L947-S951 PolarHBondContact O-OG 3Å; L947-S951 VanDerWaalsContact O-OG 3.09Å
948	E	72.3	Confident	62.6	Low	85 Å²	85	88.1 Å²	88.1	40%	0.397	44%	0.436	S	S	.	.	H	α-helix	trans	-72.7	-43.1	170.6	-73.7	176.4	156.5	0	0	112.4	K907 L944 R946 S951 S952	K907-E948 HydrophobicContact CD-CG 4.46Å; L944-E948 HydrophobicContact CD2-CG 3.98Å; L944-E948 VanDerWaalsContact CD2-OE1 3.26Å; L944-E948 WeakPolarHBondContact CD2-OE1 3.19Å; L944-E948 PolarHBondContact O-N 3.09Å; R946-E948 PolarHBondContact O-N 3.14Å; R946-E948 VanDerWaalsContact O-N 3.16Å; E948-S951 PolarHBondContact O-N 3.08Å; E948-S951 PolarHBondContact O-OG 3.44Å; E948-S952 PolarHBondContact O-N 3.03Å
949	K	66.9	Low	61.9	Low	147 Å²	147	85.1 Å²	85.1	64%	0.639	43%	0.426	S	S	*	.	H	α-helix	trans	-62.6	-46.6	174.8	-73.8	179.4	178.1	-174.2	0	112.3	Q945 R946 S951 S952 S953	Q945-K949 WeakPolarHBondContact O-CG 3.41Å; Q945-K949 PolarHBondContact O-N 2.99Å; R946-K949 WeakPolarHBondContact O-CA 3.32Å; R946-K949 WeakPolarHBondContact O-CB 3.44Å; R946-K949 PolarHBondContact O-N 3.03Å; K949-S951 PolarHBondContact O-N 3.39Å; K949-S952 WeakPolarHBondContact O-CA 3.41Å; K949-S952 WeakPolarHBondContact O-CB 3.32Å; K949-S952 PolarHBondContact O-N 3.08Å; K949-S952 PolarHBondContact O-OG 3.08Å; K949-S953 PolarHBondContact O-N 3.06Å; K949-S953 VanDerWaalsContact O-N 3.16Å; K949-S953 PolarHBondContact O-OG 2.99Å
950	D	57.2	Low	61.7	Low	82 Å²	82	84.8 Å²	84.8	44%	0.439	43%	0.428	S	S	.	.	H	α-helix	trans	-66.2	-22.1	-177.1	-59.2	-30.9	0	0	0	113.1	R946 S953	R946-D950 VanDerWaalsContact O-CG 3.31Å; R946-D950 PolarHBondContact O-N 3.27Å; D950-S953 PolarHBondContact O-OG 2.88Å
951	S	52.9	Low	61.1	Low	46 Å²	46	90.1 Å²	90.1	32%	0.322	46%	0.455	S	S	.	.	H	α-helix	trans	-79.6	-29.3	168.1	48.3	0	0	0	0	114	K907 L947 E948 K949 T955	K907-S951 PolarHBondContact NZ-OG 2.96Å; L947-S951 PolarHBondContact O-OG 3Å; L947-S951 VanDerWaalsContact O-OG 3.09Å; E948-S951 PolarHBondContact O-N 3.08Å; E948-S951 PolarHBondContact O-OG 3.44Å; K949-S951 PolarHBondContact O-N 3.39Å; S951-T955 PolarHBondContact O-OG1 2.66Å; S951-T955 VanDerWaalsContact O-OG1 3.05Å
952	S	47.1	Very low	59.9	Low	68 Å²	68	91.1 Å²	91.1	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-78.9	-21.3	-179.9	72.3	0	0	0	0	113.9	E948 K949	E948-S952 PolarHBondContact O-N 3.03Å; K949-S952 WeakPolarHBondContact O-CA 3.41Å; K949-S952 WeakPolarHBondContact O-CB 3.32Å; K949-S952 PolarHBondContact O-N 3.08Å; K949-S952 PolarHBondContact O-OG 3.08Å
953	S	46.9	Very low	58.7	Low	83 Å²	83	94.4 Å²	94.4	58%	0.58	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-8.3	174.7	53.1	0	0	0	0	114.1	K949 D950	K949-S953 PolarHBondContact O-N 3.06Å; K949-S953 VanDerWaalsContact O-N 3.16Å; K949-S953 PolarHBondContact O-OG 2.99Å; D950-S953 PolarHBondContact O-OG 2.88Å
954	K	42.6	Very low	58	Low	124 Å²	124	101 Å²	101	54%	0.539	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	9.4	176.3	-68.8	-179.1	176.2	177.3	0	113.3	Y94	Y94-K954 WeakPolarHBondContact OH-CE 3.22Å; Y94-K954 PolarHBondContact OH-NZ 2.93Å
955	T	37.8	Very low	56.4	Low	113 Å²	113	108.3 Å²	108.3	69%	0.693	54%	0.536	S	S	*	.			trans	-132.2	30.4	-175.6	38.8	0	0	0	0	112.3	S951	S951-T955 PolarHBondContact O-OG1 2.66Å; S951-T955 VanDerWaalsContact O-OG1 3.05Å
956	K	33.7	Very low	54.4	Low	257 Å²	257	107.2 Å²	107.2	100%	1.117	53%	0.533	S	S	*	.			trans	-140.8	0	172.8	-79.6	-168.3	170.7	-171.7	0	110.1

Retrieved 956 of 956 residues in 1134.1 ms (Link to these results)

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