A0A087XG10_POEFO Loading...

Voltage-gated delayed rectifier potassium channel KCNH4

Pore-forming (alpha) subunit of a voltage-gated delayed rectifier. Activates at more negative voltages, exhibits fast prepulse-independent activation kinetics and deactivates much more slowly, but shows no inactivation.

AlphaFold DB , UniProt , Accession A0A087XG10, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 859 aa.

						>A0A087XG10_POEFO|A0A087XG10
MPVMKGLLAPQNTFLDTIATRFDGTHSNFILANAQMSKGFPIVYCSDGFCELTGFSRTEVMQKSCACKFLYGPETSESIILSIDEALEERKEFKNEIMFYTKTAALFWCLLDIVPIKNEKGDVVLFLASFKDITDTKAKAIQEDKKEAERRRGRVKTGSSFSSTRLRGSTVLYHISGHLHSREKSKIKINKNVFGDPPALPEYKVADAKKSKFILLHYSTFKAGWDWLILLATFYVAVTVPYNVCFIGDDDDLTRSTTVSDIGVEILFIIAFRITKLFRTTFVSKSGQVIFDARQICFHYLTTWFIIDLVAALPFDLLYAVKVSVVSVVHLLKTVRLLRLLRLLQKMDRYSQHSTVVLTLLMSMFALLAHWMACIWYIIGKMEMEANAYNWDIGWLHELGKRLESPYAGMSDVNTTGGGPAIRSVYIASLYFTLSSLTSVGFGNVSANTDAEKIFSVCIMLIGALMHALVFGNVTAIIQRMYSRWSQYHTRTKDLKDFIRVHHLPQSLKQRMLEYFQTTWSVNNGIDCNELLKDFPDELRSDITMHLNKEILELSLFASASRGCLRSLSLHIKTSFCTPGEYLLRQGDALQAVFFVCSGSMEVLKDGMVLAILAGKGDLIGANLSLDNRVIKTNADVKALTYCDLQCINLKGLYEVLDLYPEYSHHFVQDIQQDLTYNLREGHETHVKTRLSTAAQESQSGVRRNGRVVQGQPTVAEAREEHEGDSDQDERDNAESVSLLTERRRPENLRDAVRKSPPCQPRQKTVTCSLGRSPKNLQEITPTALDPSNLSPRIVDGTEDSEGTETSQTFSFSTGLGCPVSEPTSASTSTTDMLHISATELAAKAEETRGQLRHLDQQV
					

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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	36.3	Very low	52.7	Low	188 Å²	188	96.1 Å²	96.1	93%	0.926	53%	0.53	S	S	*	.				0	133.8	0	-70.2	-179.8	172.6	0	0	107	Q352	M1-Q352 VanDerWaalsContact O-CB 3.3Å; M1-Q352 WeakPolarHBondContact O-CB 3.44Å; M1-Q352 WeakPolarHBondContact O-CG 3.43Å; M1-Q352 PolarHBondContact O-NE2 3.37Å; M1-Q352 PolarHBondContact O-OE1 3.49Å
2	P	42.7	Very low	53.6	Low	102 Å²	102	94.3 Å²	94.3	66%	0.662	52%	0.519	S	S	*	.			trans	-61.6	152.5	170.1	26.4	-32.2	0	0	0	110.1	M4	P2-M4 PolarHBondContact O-N 3.39Å
3	V	53.8	Low	54.4	Low	40 Å²	40	91.3 Å²	91.3	24%	0.242	51%	0.505	C	S	.	.			trans	-43.9	127.9	172.2	177.8	0	0	0	0	108.6	K5 R349 Q352	V3-K5 WeakPolarHBondContact O-CG 3.48Å; V3-K5 PolarHBondContact O-N 3.41Å; V3-R349 HydrophobicContact CG2-CB 4.17Å; V3-R349 HydrophobicContact CG2-CG 3.76Å; V3-Q352 VanDerWaalsContact CA-NE2 3.29Å
4	M	56.3	Low	55.4	Low	167 Å²	167	85.5 Å²	85.5	82%	0.823	47%	0.472	S	S	*	.			trans	-53.3	104.6	173.8	-90.2	-166.6	159	0	0	107.6	P2 G6	P2-M4 PolarHBondContact O-N 3.39Å; M4-G6 PolarHBondContact O-N 3.01Å; M4-G6 VanDerWaalsContact O-N 3.08Å
5	K	58.5	Low	56.2	Low	121 Å²	121	84.5 Å²	84.5	53%	0.526	47%	0.465	S	S	.	.			trans	-68.4	-8.9	-176.1	-67.6	-177.9	179.1	174.5	0	111.5	V3 L8 H217 Y218 V289	V3-K5 WeakPolarHBondContact O-CG 3.48Å; V3-K5 PolarHBondContact O-N 3.41Å; K5-L8 WeakPolarHBondContact O-CD1 3.43Å; K5-H217 PolarHBondContact O-CE1 2.97Å; K5-Y218 HydrophobicContact CG-CG 4.42Å; K5-V289 WeakPolarHBondContact O-CG2 3.35Å
6	G	56.4	Low	56.9	Low	25 Å²	25	85.4 Å²	85.4	26%	0.258	47%	0.469	S	S	.	.			trans	71.3	166.8	-166.7	0	0	0	0	0	111	M4 L8 G287	M4-G6 PolarHBondContact O-N 3.01Å; M4-G6 VanDerWaalsContact O-N 3.08Å; G6-L8 PolarHBondContact O-N 3.17Å; G6-G287 CarbonylContact C-O 3.59Å; G6-G287 WeakPolarHBondContact CA-O 3.5Å
7	L	57.3	Low	57.6	Low	120 Å²	120	83.9 Å²	83.9	63%	0.628	46%	0.463	S	S	*	.	B	Isolated β-bridge	trans	-70.8	94.7	172.7	-68.9	161.2	0	0	0	108.5	G287	L7-G287 PolarHBondContact N-O 3.04Å
8	L	55.3	Low	58.3	Low	63 Å²	63	79.3 Å²	79.3	33%	0.33	44%	0.438	S	S	.	.			trans	-105.8	36.4	169.4	-90.4	119.6	0	0	0	111	K5 G6 P10 Y218 V289 F291	K5-L8 WeakPolarHBondContact O-CD1 3.43Å; G6-L8 PolarHBondContact O-N 3.17Å; L8-P10 WeakPolarHBondContact O-CD 3.32Å; L8-Y218 HydrophobicContact CD1-CD1 4.48Å; L8-Y218 HydrophobicContact CD1-CE1 3.5Å; L8-Y218 VanDerWaalsContact CD1-CE1 3.5Å; L8-Y218 HydrophobicContact CD2-CE1 4.39Å; L8-Y218 WeakPolarHBondContact CD2-OH 3.47Å; L8-V289 HydrophobicContact CD1-CB 4.23Å; L8-V289 HydrophobicContact CD1-CG2 3.46Å; L8-V289 VanDerWaalsContact CD1-CG2 3.46Å; L8-V289 HydrophobicContact CG-CG2 4.12Å; L8-F291 HydrophobicContact CD2-CZ 4.1Å
9	A	53.6	Low	58.7	Low	59 Å²	59	77.4 Å²	77.4	49%	0.488	43%	0.433	S	S	.	.			trans	-61.3	129.1	168.5	0	0	0	0	0	107.3	Q11	A9-Q11 VanDerWaalsContact C-N 3.34Å; A9-Q11 WeakPolarHBondContact O-CG 3.31Å; A9-Q11 PolarHBondContact O-N 3.28Å
10	P	53.5	Low	59.1	Low	76 Å²	76	78.5 Å²	78.5	49%	0.494	44%	0.442	S	S	.	.			trans	-64.7	102.6	173.5	30.1	-34.8	0	0	0	106.1	L8 V205	L8-P10 WeakPolarHBondContact O-CD 3.32Å; P10-V205 HydrophobicContact CB-CG1 3.65Å; P10-V205 HydrophobicContact CG-CG1 4.14Å; P10-V205 VanDerWaalsContact O-CG1 3.31Å; P10-V205 WeakPolarHBondContact O-CG1 3.35Å
11	Q	56.6	Low	59.4	Low	96 Å²	96	79.3 Å²	79.3	45%	0.449	44%	0.438	S	S	.	.			trans	-91.6	138.3	-175.1	-77.1	178.2	-1.3	0	0	108.8	A9 T13	A9-Q11 VanDerWaalsContact C-N 3.34Å; A9-Q11 WeakPolarHBondContact O-CG 3.31Å; A9-Q11 PolarHBondContact O-N 3.28Å; Q11-T13 HydrophobicContact CB-CG2 3.84Å; Q11-T13 PolarHBondContact O-N 3.38Å
12	N	62.9	Low	60.7	Low	75 Å²	75	71.6 Å²	71.6	40%	0.401	40%	0.399	S	S	.	.			trans	-72.5	73.9	164.1	-71.1	-18.1	0	0	0	108.7	F14 V205	N12-F14 PolarHBondContact O-N 3.47Å; N12-V205 WeakPolarHBondContact OD1-CA 3.29Å; N12-V205 WeakPolarHBondContact OD1-CB 3.5Å; N12-V205 VanDerWaalsContact OD1-CG2 3.29Å; N12-V205 WeakPolarHBondContact OD1-CG2 3.34Å
13	T	64.4	Low	61.1	Low	55 Å²	55	73.2 Å²	73.2	34%	0.337	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	16.3	174.5	64.4	0	0	0	0	112.1	Q11 D16 T17	Q11-T13 HydrophobicContact CB-CG2 3.84Å; Q11-T13 PolarHBondContact O-N 3.38Å; T13-D16 PolarHBondContact O-N 2.8Å; T13-T17 WeakPolarHBondContact O-CB 3.38Å; T13-T17 PolarHBondContact O-N 2.9Å; T13-T17 PolarHBondContact O-OG1 3.08Å
14	F	68.3	Low	60.9	Low	10 Å²	10	74.1 Å²	74.1	4%	0.044	42%	0.42	C	S	.	.	H	α-helix	trans	-59.4	-48.1	-178.7	175.1	-101.7	0	0	0	111	N12 T17 I18 L31 I116 L125 P201 Y203	N12-F14 PolarHBondContact O-N 3.47Å; F14-T17 PolarHBondContact O-N 3.1Å; F14-I18 HydrophobicContact CD1-CD1 4.01Å; F14-I18 HydrophobicContact CD2-CD1 4.41Å; F14-I18 HydrophobicContact CE1-CD1 3.36Å; F14-I18 HydrophobicContact CE2-CD1 3.81Å; F14-I18 HydrophobicContact CG-CD1 4.48Å; F14-I18 HydrophobicContact CZ-CD1 3.24Å; F14-I18 HydrophobicContact CZ-CG1 4.36Å; F14-I18 WeakPolarHBondContact O-CG1 3.43Å; F14-I18 PolarHBondContact O-N 3.08Å; F14-L31 HydrophobicContact CE1-CD1 4.13Å; F14-L31 HydrophobicContact CE1-CD2 4.2Å; F14-I116 HydrophobicContact CE1-CD1 4.32Å; F14-I116 HydrophobicContact CE2-CD1 4.42Å; F14-I116 HydrophobicContact CE2-CG2 3.98Å; F14-I116 HydrophobicContact CZ-CD1 3.53Å; F14-I116 HydrophobicContact CZ-CG1 4.23Å; F14-I116 HydrophobicContact CZ-CG2 4.02Å; F14-L125 HydrophobicContact CE1-CD1 4.14Å; F14-P201 HydrophobicContact CD2-CB 4.24Å; F14-P201 HydrophobicContact CE2-CB 4.09Å; F14-P201 HydrophobicContact CE2-CG 4.13Å; F14-P201 WeakPolarHBondContact CE2-O 3.2Å; F14-Y203 HydrophobicContact CB-CD2 4.49Å; F14-Y203 AromaticContact CD1-CD2 3.94Å; F14-Y203 HydrophobicContact CD1-CD2 3.94Å; F14-Y203 HydrophobicContact CE1-CD2 4.31Å; F14-Y203 HydrophobicContact CG-CD2 4.06Å
15	L	67.7	Low	60.6	Low	70 Å²	70	72.1 Å²	72.1	37%	0.366	42%	0.417	S	S	.	.	H	α-helix	trans	-64.5	-42.7	176.8	-69.1	177.4	0	0	0	111.9	T17 I18 A19 L31 Y44	L15-T17 VanDerWaalsContact C-N 3.32Å; L15-T17 PolarHBondContact O-N 3.1Å; L15-I18 PolarHBondContact O-N 3.33Å; L15-A19 WeakPolarHBondContact O-CB 3.43Å; L15-A19 PolarHBondContact O-N 3.42Å; L15-L31 HydrophobicContact CD2-CD1 3.28Å; L15-Y44 HydrophobicContact CD2-CD1 4.34Å; L15-Y44 HydrophobicContact CD2-CG 4.4Å
16	D	66.3	Low	60.3	Low	100 Å²	100	73.3 Å²	73.3	54%	0.535	42%	0.424	S	S	.	.	H	α-helix	trans	-64.8	-37.2	177.2	-65.2	-24.6	0	0	0	112	T13 I18 A19 T20	T13-D16 PolarHBondContact O-N 2.8Å; D16-I18 VanDerWaalsContact C-N 3.34Å; D16-A19 PolarHBondContact O-N 3.35Å; D16-T20 WeakPolarHBondContact O-CB 3.48Å; D16-T20 VanDerWaalsContact O-CG2 3.27Å; D16-T20 WeakPolarHBondContact O-CG2 3.14Å; D16-T20 PolarHBondContact O-N 2.82Å; D16-T20 PolarHBondContact O-OG1 3.32Å
17	T	69.5	Low	60.8	Low	59 Å²	59	73.6 Å²	73.6	36%	0.362	42%	0.423	S	S	.	.	H	α-helix	trans	-67.5	-37.5	176.8	-54.7	0	0	0	0	111.1	T13 F14 L15 T20 R21 P201	T13-T17 WeakPolarHBondContact O-CB 3.38Å; T13-T17 PolarHBondContact O-N 2.9Å; T13-T17 PolarHBondContact O-OG1 3.08Å; F14-T17 PolarHBondContact O-N 3.1Å; L15-T17 VanDerWaalsContact C-N 3.32Å; L15-T17 PolarHBondContact O-N 3.1Å; T17-T20 WeakPolarHBondContact CA-OG1 3.33Å; T17-T20 PolarHBondContact O-OG1 3.2Å; T17-R21 VanDerWaalsContact O-CB 3.31Å; T17-R21 WeakPolarHBondContact O-CB 3.24Å; T17-R21 PolarHBondContact O-N 3.05Å; T17-P201 HydrophobicContact CG2-CB 4.49Å
18	I	70.2	Confident	62.2	Low	2 Å²	2	68.7 Å²	68.7	1%	0.01	40%	0.397	C	S	.	.	H	α-helix	trans	-67.5	-54.9	172.8	-70.2	176.7	0	0	0	108.9	F14 L15 D16 T20 R21 F22 F29 L31 P201	F14-I18 HydrophobicContact CD1-CD1 4.01Å; F14-I18 HydrophobicContact CD2-CD1 4.41Å; F14-I18 HydrophobicContact CE1-CD1 3.36Å; F14-I18 HydrophobicContact CE2-CD1 3.81Å; F14-I18 HydrophobicContact CG-CD1 4.48Å; F14-I18 HydrophobicContact CZ-CD1 3.24Å; F14-I18 HydrophobicContact CZ-CG1 4.36Å; F14-I18 WeakPolarHBondContact O-CG1 3.43Å; F14-I18 PolarHBondContact O-N 3.08Å; L15-I18 PolarHBondContact O-N 3.33Å; D16-I18 VanDerWaalsContact C-N 3.34Å; I18-T20 VanDerWaalsContact C-N 3.32Å; I18-T20 PolarHBondContact O-N 2.79Å; I18-R21 WeakPolarHBondContact O-CB 3.44Å; I18-R21 PolarHBondContact O-N 2.75Å; I18-F22 HydrophobicContact CB-CD2 4.39Å; I18-F22 HydrophobicContact CG2-CD2 3.49Å; I18-F22 VanDerWaalsContact CG2-CD2 3.49Å; I18-F22 HydrophobicContact CG2-CE2 3.77Å; I18-F22 VanDerWaalsContact O-CB 3.32Å; I18-F22 WeakPolarHBondContact O-CB 3.26Å; I18-F22 WeakPolarHBondContact O-CD2 3.29Å; I18-F22 PolarHBondContact O-N 3.06Å; I18-F29 HydrophobicContact CG2-CD2 4.2Å; I18-F29 HydrophobicContact CG2-CE1 4.02Å; I18-F29 HydrophobicContact CG2-CE2 3.63Å; I18-F29 HydrophobicContact CG2-CZ 3.52Å; I18-L31 HydrophobicContact CD1-CD2 4.36Å; I18-P201 HydrophobicContact CG1-CG 4.26Å
19	A	66.3	Low	63.7	Low	42 Å²	42	66 Å²	66	35%	0.347	38%	0.383	S	S	.	.	H	α-helix	trans	-51.5	-48.6	-179.7	0	0	0	0	0	112.3	L15 D16 R21 F22 D23	L15-A19 WeakPolarHBondContact O-CB 3.43Å; L15-A19 PolarHBondContact O-N 3.42Å; D16-A19 PolarHBondContact O-N 3.35Å; A19-R21 PolarHBondContact O-N 3.26Å; A19-F22 CarbonylContact O-C 3.55Å; A19-F22 PolarHBondContact O-N 3.4Å; A19-D23 WeakPolarHBondContact O-CB 3.12Å; A19-D23 PolarHBondContact O-N 2.79Å
20	T	65.3	Low	65.4	Low	100 Å²	100	63.2 Å²	63.2	61%	0.613	36%	0.36	S	S	*	.	H	α-helix	trans	-65.9	-32.7	177.7	51.2	0	0	0	0	114.1	D16 T17 I18 F22	D16-T20 WeakPolarHBondContact O-CB 3.48Å; D16-T20 VanDerWaalsContact O-CG2 3.27Å; D16-T20 WeakPolarHBondContact O-CG2 3.14Å; D16-T20 PolarHBondContact O-N 2.82Å; D16-T20 PolarHBondContact O-OG1 3.32Å; T17-T20 WeakPolarHBondContact CA-OG1 3.33Å; T17-T20 PolarHBondContact O-OG1 3.2Å; I18-T20 VanDerWaalsContact C-N 3.32Å; I18-T20 PolarHBondContact O-N 2.79Å; T20-F22 VanDerWaalsContact C-N 3.29Å
21	R	66.8	Low	67.2	Low	95 Å²	95	59.8 Å²	59.8	36%	0.358	34%	0.337	S	S	.	.	H	α-helix	trans	-71.1	-30.2	175.1	-167.7	-175.6	-159.8	-174.5	7.2	111.9	T17 I18 A19	T17-R21 VanDerWaalsContact O-CB 3.31Å; T17-R21 WeakPolarHBondContact O-CB 3.24Å; T17-R21 PolarHBondContact O-N 3.05Å; I18-R21 WeakPolarHBondContact O-CB 3.44Å; I18-R21 PolarHBondContact O-N 2.75Å; A19-R21 PolarHBondContact O-N 3.26Å
22	F	63.8	Low	68.8	Low	26 Å²	26	55.2 Å²	55.2	11%	0.114	32%	0.316	C	S	.	.	H	α-helix	trans	-100.8	-3.2	-172.4	-84	-75.8	0	0	0	113.1	I18 A19 T20 G24 S27 L127 F194	I18-F22 HydrophobicContact CB-CD2 4.39Å; I18-F22 HydrophobicContact CG2-CD2 3.49Å; I18-F22 VanDerWaalsContact CG2-CD2 3.49Å; I18-F22 HydrophobicContact CG2-CE2 3.77Å; I18-F22 VanDerWaalsContact O-CB 3.32Å; I18-F22 WeakPolarHBondContact O-CB 3.26Å; I18-F22 WeakPolarHBondContact O-CD2 3.29Å; I18-F22 PolarHBondContact O-N 3.06Å; A19-F22 CarbonylContact O-C 3.55Å; A19-F22 PolarHBondContact O-N 3.4Å; T20-F22 VanDerWaalsContact C-N 3.29Å; F22-G24 PolarHBondContact O-N 3.41Å; F22-S27 VanDerWaalsContact CB-CB 3.44Å; F22-S27 WeakPolarHBondContact CB-OG 3.3Å; F22-S27 WeakPolarHBondContact O-CB 3.38Å; F22-S27 PolarHBondContact O-OG 2.73Å; F22-L127 HydrophobicContact CE2-CD2 4.11Å; F22-L127 HydrophobicContact CZ-CD2 4.18Å; F22-F194 HydrophobicContact CE1-CE1 4.28Å; F22-F194 HydrophobicContact CE2-CE1 4.1Å; F22-F194 HydrophobicContact CZ-CD1 4.42Å; F22-F194 AromaticContact CZ-CE1 3.45Å; F22-F194 HydrophobicContact CZ-CE1 3.45Å; F22-F194 VanDerWaalsContact CZ-CE1 3.45Å; F22-F194 AromaticContact CZ-CZ 3.89Å; F22-F194 HydrophobicContact CZ-CZ 3.89Å
23	D	51.2	Low	70	Confident	136 Å²	136	53.3 Å²	53.3	73%	0.727	31%	0.306	S	S	*	.			trans	-64.8	4.4	-178.6	-132.5	1.6	0	0	0	115.3	A19 T25	A19-D23 WeakPolarHBondContact O-CB 3.12Å; A19-D23 PolarHBondContact O-N 2.79Å; D23-T25 PolarHBondContact O-N 3.31Å
24	G	48.3	Very low	71.1	Confident	59 Å²	59	50.7 Å²	50.7	61%	0.608	29%	0.29	S	S	*	.	S	Bend	trans	-83.4	91.9	169	0	0	0	0	0	111.2	F22	F22-G24 PolarHBondContact O-N 3.41Å
25	T	49.6	Very low	71.7	Confident	125 Å²	125	56.5 Å²	56.5	77%	0.767	32%	0.317	S	S	*	.	S	Bend	trans	46.9	93.3	168.5	52.8	0	0	0	0	115.3	D23	D23-T25 PolarHBondContact O-N 3.31Å
26	H	53.3	Low	72.2	Confident	146 Å²	146	58 Å²	58	68%	0.676	32%	0.323	S	S	*	.			trans	59.8	64.6	169.7	-51.5	-78.5	0	0	0	115.6	N28	H26-N28 PolarHBondContact O-N 3.48Å; H26-N28 PolarHBondContact O-OD1 3.19Å
27	S	67.5	Low	72	Confident	32 Å²	32	58.9 Å²	58.9	22%	0.224	34%	0.337	C	S	.	.			trans	-75.6	114.5	167.5	58.3	0	0	0	0	111.9	F22	F22-S27 VanDerWaalsContact CB-CB 3.44Å; F22-S27 WeakPolarHBondContact CB-OG 3.3Å; F22-S27 WeakPolarHBondContact O-CB 3.38Å; F22-S27 PolarHBondContact O-OG 2.73Å
28	N	84.9	Confident	71.8	Confident	17 Å²	17	64.8 Å²	64.8	9%	0.091	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	104.8	176.3	-45	-42.2	0	0	0	107.7	H26 G48 F49 L52 F130	H26-N28 PolarHBondContact O-N 3.48Å; H26-N28 PolarHBondContact O-OD1 3.19Å; N28-G48 VanDerWaalsContact OD1-CA 3.29Å; N28-G48 WeakPolarHBondContact OD1-CA 3.37Å; N28-G48 PolarHBondContact OD1-O 2.89Å; N28-G48 VanDerWaalsContact OD1-O 3.04Å; N28-F49 HydrophobicContact CB-CB 4.31Å; N28-L52 HydrophobicContact CB-CD2 4.16Å; N28-F130 HydrophobicContact CB-CB 4.04Å; N28-F130 WeakPolarHBondContact CB-O 3.3Å; N28-F130 PolarHBondContact ND2-O 3.47Å; N28-F130 PolarHBondContact O-N 3.05Å
29	F	87.8	Confident	71.8	Confident	6 Å²	6	66.6 Å²	66.6	3%	0.026	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	158.7	177.5	71.3	-88.7	0	0	0	113.3	I18 Y44 S46 L127 A128	I18-F29 HydrophobicContact CG2-CD2 4.2Å; I18-F29 HydrophobicContact CG2-CE1 4.02Å; I18-F29 HydrophobicContact CG2-CE2 3.63Å; I18-F29 HydrophobicContact CG2-CZ 3.52Å; F29-Y44 AromaticContact CE2-CD1 3.9Å; F29-Y44 HydrophobicContact CE2-CD1 3.9Å; F29-Y44 AromaticContact CE2-CE1 3.58Å; F29-Y44 HydrophobicContact CE2-CE1 3.58Å; F29-Y44 AromaticContact CZ-CE1 3.83Å; F29-Y44 HydrophobicContact CZ-CE1 3.83Å; F29-S46 PolarHBondContact N-OG 3.07Å; F29-S46 WeakPolarHBondContact O-CB 3.49Å; F29-S46 PolarHBondContact O-N 3.05Å; F29-S46 PolarHBondContact O-OG 3.15Å; F29-L127 HydrophobicContact CB-CD1 4.09Å; F29-L127 HydrophobicContact CD2-CD1 3.69Å; F29-L127 HydrophobicContact CE2-CD1 4.5Å; F29-L127 HydrophobicContact CG-CD1 4.15Å; F29-A128 CarbonylContact C-O 3.49Å; F29-A128 WeakPolarHBondContact CA-O 3.37Å; F29-A128 WeakPolarHBondContact CB-O 3.39Å
30	I	90.1	Very high	72.8	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.5	173.1	70.1	-173.6	0	0	0	110	I42 Y44 C45 F49 A128 F130	I30-I42 HydrophobicContact CB-CG2 4.23Å; I30-I42 HydrophobicContact CD1-CD1 3.87Å; I30-I42 HydrophobicContact CD1-CG1 4.11Å; I30-Y44 CarbonylContact C-O 3.45Å; I30-Y44 WeakPolarHBondContact CA-O 3.48Å; I30-C45 HydrophobicContact CG2-CB 4.08Å; I30-F49 HydrophobicContact CG2-CB 4.48Å; I30-F49 HydrophobicContact CG2-CD1 3.8Å; I30-F49 HydrophobicContact CG2-CD2 3.9Å; I30-F49 HydrophobicContact CG2-CE1 3.92Å; I30-F49 HydrophobicContact CG2-CE2 4.01Å; I30-F49 HydrophobicContact CG2-CG 3.78Å; I30-F49 HydrophobicContact CG2-CZ 4.01Å; I30-A128 HydrophobicContact CD1-CB 4.06Å; I30-A128 HydrophobicContact CG1-CB 3.73Å; I30-A128 PolarHBondContact N-O 2.82Å; I30-A128 PolarHBondContact O-N 3.13Å; I30-F130 HydrophobicContact CB-CE2 4.5Å; I30-F130 HydrophobicContact CD1-CE2 3.74Å; I30-F130 HydrophobicContact CD1-CZ 3.75Å; I30-F130 HydrophobicContact CG1-CE2 3.84Å; I30-F130 HydrophobicContact CG1-CZ 4.35Å; I30-F130 HydrophobicContact CG2-CE2 4.08Å
31	L	89.6	Confident	74	Confident	5 Å²	5	62.3 Å²	62.3	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.9	170.4	-62.4	164.9	0	0	0	109.6	F14 L15 I18 I42 V43 Y44 I116 F126 L127	F14-L31 HydrophobicContact CE1-CD1 4.13Å; F14-L31 HydrophobicContact CE1-CD2 4.2Å; L15-L31 HydrophobicContact CD2-CD1 3.28Å; I18-L31 HydrophobicContact CD1-CD2 4.36Å; L31-I42 CarbonylContact O-C 3.59Å; L31-I42 WeakPolarHBondContact O-CA 3.27Å; L31-V43 HydrophobicContact CB-CG2 4.03Å; L31-V43 WeakPolarHBondContact O-CG2 3.25Å; L31-V43 PolarHBondContact O-N 2.68Å; L31-Y44 HydrophobicContact CD1-CD1 4.03Å; L31-Y44 HydrophobicContact CD1-CG 4.3Å; L31-Y44 HydrophobicContact CG-CD1 4.41Å; L31-Y44 PolarHBondContact N-O 2.94Å; L31-Y44 PolarHBondContact O-N 2.86Å; L31-I116 HydrophobicContact CD2-CD1 3.92Å; L31-F126 CarbonylContact C-O 3.53Å; L31-F126 VanDerWaalsContact CA-O 3.3Å; L31-F126 WeakPolarHBondContact CA-O 3.43Å; L31-L127 HydrophobicContact CD2-CB 4.06Å; L31-L127 HydrophobicContact CD2-CD1 3.63Å; L31-L127 HydrophobicContact CD2-CG 4.46Å; L31-L127 HydrophobicContact CG-CD1 4.44Å
32	A	90	Very high	75.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	149.7	177.2	0	0	0	0	0	111.8	P41 I42 C65 L125 F126	A32-P41 CarbonylContact C-O 3.57Å; A32-P41 VanDerWaalsContact CA-O 3.3Å; A32-P41 WeakPolarHBondContact CA-O 3.44Å; A32-I42 HydrophobicContact CB-CG1 4.45Å; A32-C65 HydrophobicContact CB-CB 3.54Å; A32-L125 CarbonylContact O-C 3.2Å; A32-L125 WeakPolarHBondContact O-CA 3.41Å; A32-L125 WeakPolarHBondContact O-CD2 3.37Å; A32-F126 HydrophobicContact CB-CB 4.42Å; A32-F126 PolarHBondContact N-O 2.82Å; A32-F126 PolarHBondContact O-N 3.47Å
33	N	90.1	Very high	76.3	Confident	35 Å²	35	59.9 Å²	59.9	19%	0.187	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.7	177.6	-171.9	-13.1	0	0	0	110.8	Q35 P41 V43 V124	N33-Q35 WeakPolarHBondContact OD1-CB 3.35Å; N33-Q35 PolarHBondContact OD1-N 3.13Å; N33-P41 HydrophobicContact CB-CG 4.44Å; N33-P41 PolarHBondContact N-O 2.9Å; N33-V43 HydrophobicContact CB-CG1 4.04Å; N33-V124 PolarHBondContact OD1-O 3.25Å
34	A	86	Confident	78.1	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-92.4	-9.1	-179.9	0	0	0	0	0	114.1	V123 V124 F126	A34-V123 HydrophobicContact CB-CG1 3.81Å; A34-V124 PolarHBondContact N-O 2.97Å; A34-F126 HydrophobicContact CB-CD2 3.63Å; A34-F126 HydrophobicContact CB-CE2 3.41Å; A34-F126 VanDerWaalsContact CB-CE2 3.41Å; A34-F126 HydrophobicContact CB-CG 4.46Å; A34-F126 HydrophobicContact CB-CZ 4.11Å
35	Q	82.2	Confident	80	Confident	131 Å²	131	54 Å²	54	61%	0.612	29%	0.292	S	S	*	.	S	Bend	trans	-88.6	-22.3	-177.1	-61.6	-172	-46.9	0	0	113.6	N33 V124	N33-Q35 WeakPolarHBondContact OD1-CB 3.35Å; N33-Q35 PolarHBondContact OD1-N 3.13Å; Q35-V124 HydrophobicContact CG-CG1 4.43Å
36	M	77.9	Confident	81.8	Confident	101 Å²	101	48.4 Å²	48.4	50%	0.498	26%	0.257	S	S	.	.	S	Bend	trans	-75.7	128.3	176.4	-105.8	-173.9	-89	0	0	110.5	K38 P41	M36-K38 VanDerWaalsContact C-N 3.28Å; M36-K38 PolarHBondContact O-N 3.07Å; M36-P41 HydrophobicContact CB-CG 4.47Å; M36-P41 HydrophobicContact CE-CG 3.55Å; M36-P41 HydrophobicContact SD-CG 3.87Å
37	S	60.7	Low	83.4	Confident	120 Å²	120	46.2 Å²	46.2	84%	0.839	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-9.8	-171.3	52.2	0	0	0	0	115.3
38	K	66.4	Low	84.2	Confident	183 Å²	183	45.3 Å²	45.3	80%	0.796	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132	120.3	178.9	-70.1	-174	178.8	-179.8	0	111.6	M36 F40	M36-K38 VanDerWaalsContact C-N 3.28Å; M36-K38 PolarHBondContact O-N 3.07Å; K38-F40 PolarHBondContact O-N 3.2Å
39	G	69.4	Low	84.3	Confident	40 Å²	40	44.5 Å²	44.5	41%	0.412	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-8.3	163.9	0	0	0	0	0	117.1	S64	G39-S64 WeakPolarHBondContact O-CA 3.36Å; G39-S64 WeakPolarHBondContact O-CB 3.11Å; G39-S64 PolarHBondContact O-OG 2.61Å
40	F	86.9	Confident	84.3	Confident	32 Å²	32	45.4 Å²	45.4	14%	0.14	25%	0.249	C	C	.	.			trans	45.7	72.8	179.6	-53.4	-66	0	0	0	112.7	K38 C65 L87 F126	K38-F40 PolarHBondContact O-N 3.2Å; F40-C65 HydrophobicContact CB-CB 3.99Å; F40-C65 WeakPolarHBondContact O-CB 3.4Å; F40-C65 PolarHBondContact O-N 3.47Å; F40-L87 HydrophobicContact CD2-CB 4Å; F40-L87 HydrophobicContact CD2-CD1 4.3Å; F40-L87 HydrophobicContact CE2-CB 3.74Å; F40-F126 HydrophobicContact CD1-CD2 4.37Å; F40-F126 AromaticContact CD1-CE2 3.79Å; F40-F126 HydrophobicContact CD1-CE2 3.79Å; F40-F126 AromaticContact CE1-CE2 3.96Å; F40-F126 HydrophobicContact CE1-CE2 3.96Å; F40-F126 HydrophobicContact CG-CE2 4.24Å
41	P	90.4	Very high	84.2	Confident	20 Å²	20	52.2 Å²	52.2	13%	0.13	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-68.6	139.8	-170.7	27.2	-33.8	0	0	0	112.3	A32 N33 M36 V43 K63	A32-P41 CarbonylContact C-O 3.57Å; A32-P41 VanDerWaalsContact CA-O 3.3Å; A32-P41 WeakPolarHBondContact CA-O 3.44Å; N33-P41 HydrophobicContact CB-CG 4.44Å; N33-P41 PolarHBondContact N-O 2.9Å; M36-P41 HydrophobicContact CB-CG 4.47Å; M36-P41 HydrophobicContact CE-CG 3.55Å; M36-P41 HydrophobicContact SD-CG 3.87Å; P41-V43 PolarHBondContact O-N 3.37Å; P41-K63 CarbonylContact C-O 3.48Å; P41-K63 WeakPolarHBondContact CA-O 3.37Å
42	I	91.3	Very high	84	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	123.5	175.8	-62.7	163.7	0	0	0	109.7	I30 L31 A32 Y44 V60 Q62 K63 F69	I30-I42 HydrophobicContact CB-CG2 4.23Å; I30-I42 HydrophobicContact CD1-CD1 3.87Å; I30-I42 HydrophobicContact CD1-CG1 4.11Å; L31-I42 CarbonylContact O-C 3.59Å; L31-I42 WeakPolarHBondContact O-CA 3.27Å; A32-I42 HydrophobicContact CB-CG1 4.45Å; I42-Y44 WeakPolarHBondContact CG2-O 3.32Å; I42-V60 HydrophobicContact CD1-CG1 4.02Å; I42-V60 HydrophobicContact CG2-CG1 4.22Å; I42-Q62 PolarHBondContact O-N 2.8Å; I42-K63 HydrophobicContact CD1-CB 4.29Å; I42-K63 VanDerWaalsContact CG1-O 3.3Å; I42-K63 WeakPolarHBondContact CG1-O 2.97Å; I42-K63 PolarHBondContact N-O 3.19Å; I42-F69 HydrophobicContact CD1-CE1 4.37Å
43	V	89.5	Confident	83.9	Confident	68 Å²	68	53.5 Å²	53.5	41%	0.412	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-14.8	-179.9	-63	0	0	0	0	113.3	L31 N33 P41 M61 L125	L31-V43 HydrophobicContact CB-CG2 4.03Å; L31-V43 WeakPolarHBondContact O-CG2 3.25Å; L31-V43 PolarHBondContact O-N 2.68Å; N33-V43 HydrophobicContact CB-CG1 4.04Å; P41-V43 PolarHBondContact O-N 3.37Å; V43-M61 WeakPolarHBondContact O-CE 3.06Å; V43-L125 HydrophobicContact CG2-CD2 3.92Å
44	Y	88.2	Confident	83.7	Confident	72 Å²	72	53.9 Å²	53.9	28%	0.282	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	143.8	175.6	178.3	-95.3	0	0	0	111.1	L15 F29 I30 L31 I42	L15-Y44 HydrophobicContact CD2-CD1 4.34Å; L15-Y44 HydrophobicContact CD2-CG 4.4Å; F29-Y44 AromaticContact CE2-CD1 3.9Å; F29-Y44 HydrophobicContact CE2-CD1 3.9Å; F29-Y44 AromaticContact CE2-CE1 3.58Å; F29-Y44 HydrophobicContact CE2-CE1 3.58Å; F29-Y44 AromaticContact CZ-CE1 3.83Å; F29-Y44 HydrophobicContact CZ-CE1 3.83Å; I30-Y44 CarbonylContact C-O 3.45Å; I30-Y44 WeakPolarHBondContact CA-O 3.48Å; L31-Y44 HydrophobicContact CD1-CD1 4.03Å; L31-Y44 HydrophobicContact CD1-CG 4.3Å; L31-Y44 HydrophobicContact CG-CD1 4.41Å; L31-Y44 PolarHBondContact N-O 2.94Å; L31-Y44 PolarHBondContact O-N 2.86Å; I42-Y44 WeakPolarHBondContact CG2-O 3.32Å
45	C	88.4	Confident	83.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.6	170	68	0	0	0	0	110.9	I30 F49 C50 R57 V60	I30-C45 HydrophobicContact CG2-CB 4.08Å; C45-F49 HydrophobicContact CB-CD1 4.22Å; C45-C50 VanDerWaalsContact SG-SG 3.65Å; C45-R57 PolarHBondContact O-NE 2.97Å; C45-R57 PolarHBondContact O-NH2 3.02Å; C45-R57 VanDerWaalsContact O-NH2 3.12Å; C45-R57 VanDerWaalsContact SG-CG 3.52Å; C45-V60 HydrophobicContact CB-CG1 4.04Å
46	S	87.6	Confident	84.2	Confident	6 Å²	6	51.8 Å²	51.8	4%	0.042	30%	0.295	C	S	.	.			trans	-66.2	155.4	173.6	57.8	0	0	0	0	111.9	F29 G48 F49 C50	F29-S46 PolarHBondContact N-OG 3.07Å; F29-S46 WeakPolarHBondContact O-CB 3.49Å; F29-S46 PolarHBondContact O-N 3.05Å; F29-S46 PolarHBondContact O-OG 3.15Å; S46-G48 VanDerWaalsContact C-N 3.32Å; S46-F49 PolarHBondContact O-N 2.87Å; S46-F49 WeakPolarHBondContact OG-CB 3.17Å; S46-F49 PolarHBondContact OG-N 3.37Å; S46-C50 PolarHBondContact O-N 3.33Å; S46-C50 PolarHBondContact O-SG 3.14Å
47	D	85.6	Confident	84.8	Confident	101 Å²	101	51.8 Å²	51.8	54%	0.54	29%	0.289	S	S	.	.	H	α-helix	trans	-64.6	-38.3	175.8	-65.2	-34.6	0	0	0	111.3	F49 C50 E51 R57	D47-F49 VanDerWaalsContact C-N 3.3Å; D47-F49 PolarHBondContact O-N 2.8Å; D47-C50 WeakPolarHBondContact O-CA 3.48Å; D47-C50 WeakPolarHBondContact O-CB 3.34Å; D47-C50 PolarHBondContact O-N 3.1Å; D47-E51 PolarHBondContact O-N 3.43Å; D47-R57 IonicContact OD1-CZ 3.03Å; D47-R57 IonicContact OD1-NH1 3.24Å; D47-R57 IonicContact OD1-NH2 2.75Å; D47-R57 PolarHBondContact OD1-NH2 3.15Å
48	G	84.9	Confident	86.1	Confident	13 Å²	13	51.8 Å²	51.8	13%	0.134	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-36.8	175.3	0	0	0	0	0	113.5	N28 S46 C50 E51 L52	N28-G48 VanDerWaalsContact OD1-CA 3.29Å; N28-G48 WeakPolarHBondContact OD1-CA 3.37Å; N28-G48 PolarHBondContact OD1-O 2.89Å; N28-G48 VanDerWaalsContact OD1-O 3.04Å; S46-G48 VanDerWaalsContact C-N 3.32Å; G48-C50 VanDerWaalsContact C-N 3.35Å; G48-E51 PolarHBondContact O-N 3.29Å; G48-L52 WeakPolarHBondContact O-CB 3.32Å; G48-L52 PolarHBondContact O-N 3.09Å
49	F	86.9	Confident	87.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.7	-37.8	173.4	178.9	-94.2	0	0	0	112.6	N28 I30 C45 S46 D47 L52 T53 V60 F69 L70 F130	N28-F49 HydrophobicContact CB-CB 4.31Å; I30-F49 HydrophobicContact CG2-CB 4.48Å; I30-F49 HydrophobicContact CG2-CD1 3.8Å; I30-F49 HydrophobicContact CG2-CD2 3.9Å; I30-F49 HydrophobicContact CG2-CE1 3.92Å; I30-F49 HydrophobicContact CG2-CE2 4.01Å; I30-F49 HydrophobicContact CG2-CG 3.78Å; I30-F49 HydrophobicContact CG2-CZ 4.01Å; C45-F49 HydrophobicContact CB-CD1 4.22Å; S46-F49 PolarHBondContact O-N 2.87Å; S46-F49 WeakPolarHBondContact OG-CB 3.17Å; S46-F49 PolarHBondContact OG-N 3.37Å; D47-F49 VanDerWaalsContact C-N 3.3Å; D47-F49 PolarHBondContact O-N 2.8Å; F49-L52 PolarHBondContact O-N 3.16Å; F49-T53 HydrophobicContact CD1-CG2 4.49Å; F49-T53 HydrophobicContact CD2-CG2 4.1Å; F49-T53 HydrophobicContact CE1-CG2 4.11Å; F49-T53 HydrophobicContact CE2-CG2 3.69Å; F49-T53 HydrophobicContact CG-CG2 4.5Å; F49-T53 HydrophobicContact CZ-CG2 3.7Å; F49-T53 WeakPolarHBondContact O-CB 3.19Å; F49-T53 WeakPolarHBondContact O-CG2 3.31Å; F49-T53 PolarHBondContact O-N 3.24Å; F49-T53 PolarHBondContact O-OG1 3.25Å; F49-V60 HydrophobicContact CD1-CG1 4.37Å; F49-V60 HydrophobicContact CE1-CG1 3.73Å; F49-V60 HydrophobicContact CE1-CG2 3.96Å; F49-F69 HydrophobicContact CZ-CZ 4.29Å; F49-L70 HydrophobicContact CE2-CD1 4.42Å; F49-L70 HydrophobicContact CZ-CD1 4.19Å; F49-F130 AromaticContact CD2-CD2 3.58Å; F49-F130 HydrophobicContact CD2-CD2 3.58Å; F49-F130 AromaticContact CD2-CE2 3.81Å; F49-F130 HydrophobicContact CD2-CE2 3.81Å; F49-F130 HydrophobicContact CD2-CG 4Å; F49-F130 HydrophobicContact CD2-CZ 4.39Å; F49-F130 HydrophobicContact CE2-CD1 4.07Å; F49-F130 AromaticContact CE2-CD2 3.7Å; F49-F130 HydrophobicContact CE2-CD2 3.7Å; F49-F130 AromaticContact CE2-CE1 3.92Å; F49-F130 HydrophobicContact CE2-CE1 3.92Å; F49-F130 AromaticContact CE2-CE2 3.55Å; F49-F130 HydrophobicContact CE2-CE2 3.55Å; F49-F130 AromaticContact CE2-CG 3.98Å; F49-F130 HydrophobicContact CE2-CG 3.98Å; F49-F130 AromaticContact CE2-CZ 3.68Å; F49-F130 HydrophobicContact CE2-CZ 3.68Å; F49-F130 HydrophobicContact CZ-CZ 4.46Å
50	C	88.3	Confident	88.1	Confident	24 Å²	24	44.7 Å²	44.7	16%	0.162	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-39.9	176.7	-57.7	0	0	0	0	110.8	C45 S46 D47 G48 G54 F55	C45-C50 VanDerWaalsContact SG-SG 3.65Å; S46-C50 PolarHBondContact O-N 3.33Å; S46-C50 PolarHBondContact O-SG 3.14Å; D47-C50 WeakPolarHBondContact O-CA 3.48Å; D47-C50 WeakPolarHBondContact O-CB 3.34Å; D47-C50 PolarHBondContact O-N 3.1Å; G48-C50 VanDerWaalsContact C-N 3.35Å; C50-G54 VanDerWaalsContact O-CA 3.31Å; C50-G54 WeakPolarHBondContact O-CA 3.49Å; C50-G54 PolarHBondContact O-N 3.47Å; C50-F55 WeakPolarHBondContact CB-O 3.31Å
51	E	86.8	Confident	88.2	Confident	143 Å²	143	46.5 Å²	46.5	67%	0.668	25%	0.253	S	S	*	.	H	α-helix	trans	-64.9	-44.5	174.3	-69.9	178.3	176.8	0	0	112.3	D47 G48	D47-E51 PolarHBondContact O-N 3.43Å; G48-E51 PolarHBondContact O-N 3.29Å
52	L	86.1	Confident	88	Confident	32 Å²	32	53.7 Å²	53.7	17%	0.168	29%	0.285	C	S	.	.	H	α-helix	trans	-63.6	-45.6	-179.8	178.3	66.6	0	0	0	112.2	N28 G48 F49 F107 F130 D132	N28-L52 HydrophobicContact CB-CD2 4.16Å; G48-L52 WeakPolarHBondContact O-CB 3.32Å; G48-L52 PolarHBondContact O-N 3.09Å; F49-L52 PolarHBondContact O-N 3.16Å; L52-F107 HydrophobicContact CD1-CD2 4.32Å; L52-F107 HydrophobicContact CD1-CE2 4.06Å; L52-F107 HydrophobicContact CD1-CZ 4.5Å; L52-F107 HydrophobicContact CD2-CE2 3.9Å; L52-F107 HydrophobicContact CD2-CZ 4.25Å; L52-F107 HydrophobicContact CG-CE2 4Å; L52-F107 HydrophobicContact CG-CZ 4.11Å; L52-F130 HydrophobicContact CD2-CB 4.13Å; L52-D132 HydrophobicContact CD1-CB 4.17Å
53	T	87.5	Confident	87.8	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-91.2	-19	-172.7	62.9	0	0	0	0	113	F49 F55 L70 T101 K102	F49-T53 HydrophobicContact CD1-CG2 4.49Å; F49-T53 HydrophobicContact CD2-CG2 4.1Å; F49-T53 HydrophobicContact CE1-CG2 4.11Å; F49-T53 HydrophobicContact CE2-CG2 3.69Å; F49-T53 HydrophobicContact CG-CG2 4.5Å; F49-T53 HydrophobicContact CZ-CG2 3.7Å; F49-T53 WeakPolarHBondContact O-CB 3.19Å; F49-T53 WeakPolarHBondContact O-CG2 3.31Å; F49-T53 PolarHBondContact O-N 3.24Å; F49-T53 PolarHBondContact O-OG1 3.25Å; T53-F55 WeakPolarHBondContact O-CD2 3.47Å; T53-F55 PolarHBondContact O-N 3.28Å; T53-L70 HydrophobicContact CG2-CD1 4.05Å; T53-L70 HydrophobicContact CG2-CD2 4.03Å; T53-T101 WeakPolarHBondContact O-CA 3.37Å; T53-K102 PolarHBondContact O-N 3.09Å
54	G	86.1	Confident	87.8	Confident	43 Å²	43	56.9 Å²	56.9	44%	0.443	30%	0.296	S	S	.	.			trans	74.4	6	-175.3	0	0	0	0	0	114.3	C50 K102	C50-G54 VanDerWaalsContact O-CA 3.31Å; C50-G54 WeakPolarHBondContact O-CA 3.49Å; C50-G54 PolarHBondContact O-N 3.47Å; G54-K102 WeakPolarHBondContact O-CD 3.24Å
55	F	90.3	Very high	87.6	Confident	38 Å²	38	53.5 Å²	53.5	17%	0.167	28%	0.284	C	S	.	.			trans	-88.2	146.7	175.7	-72.5	-89.2	0	0	0	111.6	C50 T53 E59 V60 F69 L70 K102	C50-F55 WeakPolarHBondContact CB-O 3.31Å; T53-F55 WeakPolarHBondContact O-CD2 3.47Å; T53-F55 PolarHBondContact O-N 3.28Å; F55-E59 HydrophobicContact CD1-CB 4.32Å; F55-V60 HydrophobicContact CB-CG2 3.67Å; F55-F69 HydrophobicContact CD2-CD2 4.33Å; F55-F69 HydrophobicContact CD2-CE2 4.21Å; F55-F69 HydrophobicContact CE1-CD2 4.42Å; F55-F69 HydrophobicContact CE2-CD2 4.06Å; F55-F69 HydrophobicContact CE2-CE2 4.35Å; F55-F69 HydrophobicContact CG-CE2 4.48Å; F55-F69 HydrophobicContact CZ-CD2 4.11Å; F55-L70 HydrophobicContact CD2-CD2 4.14Å; F55-L70 HydrophobicContact CE2-CD2 3.74Å; F55-K102 HydrophobicContact CD1-CB 4.47Å; F55-K102 HydrophobicContact CD1-CD 4.2Å; F55-K102 HydrophobicContact CD1-CG 4.4Å; F55-K102 HydrophobicContact CD2-CB 4.05Å; F55-K102 HydrophobicContact CE1-CB 4.28Å; F55-K102 HydrophobicContact CE1-CD 4.4Å; F55-K102 HydrophobicContact CE1-CG 4.16Å; F55-K102 HydrophobicContact CE2-CB 3.85Å; F55-K102 HydrophobicContact CG-CB 4.37Å; F55-K102 HydrophobicContact CZ-CB 3.97Å; F55-K102 HydrophobicContact CZ-CG 4.26Å
56	S	89.7	Confident	87.4	Confident	48 Å²	48	53.5 Å²	53.5	34%	0.336	28%	0.284	S	S	.	.			trans	-77.3	152.3	172.9	63.8	0	0	0	0	111.1	T58 E59 V60	S56-T58 PolarHBondContact O-N 2.86Å; S56-T58 PolarHBondContact OG-OG1 3.48Å; S56-E59 PolarHBondContact N-OE2 3.33Å; S56-E59 PolarHBondContact O-N 2.91Å; S56-E59 WeakPolarHBondContact OG-CG 3.32Å; S56-E59 PolarHBondContact OG-OE2 2.76Å; S56-V60 PolarHBondContact O-N 2.89Å
57	R	88.8	Confident	87.3	Confident	102 Å²	102	53.3 Å²	53.3	39%	0.385	28%	0.282	S	S	.	.	H	α-helix	trans	-50.6	-44.3	177.6	173.6	170.8	-67.3	133.1	1.9	112.3	C45 D47 E59 V60 M61	C45-R57 PolarHBondContact O-NE 2.97Å; C45-R57 PolarHBondContact O-NH2 3.02Å; C45-R57 VanDerWaalsContact O-NH2 3.12Å; C45-R57 VanDerWaalsContact SG-CG 3.52Å; D47-R57 IonicContact OD1-CZ 3.03Å; D47-R57 IonicContact OD1-NH1 3.24Å; D47-R57 IonicContact OD1-NH2 2.75Å; D47-R57 PolarHBondContact OD1-NH2 3.15Å; R57-E59 VanDerWaalsContact C-N 3.31Å; R57-E59 PolarHBondContact O-N 3.45Å; R57-V60 PolarHBondContact O-N 3Å; R57-M61 HydrophobicContact CG-CG 4Å; R57-M61 HydrophobicContact CG-SD 4.27Å; R57-M61 WeakPolarHBondContact O-CG 3.22Å; R57-M61 PolarHBondContact O-N 3.01Å
58	T	88.8	Confident	87.3	Confident	119 Å²	119	54.5 Å²	54.5	73%	0.73	28%	0.282	S	S	*	.	H	α-helix	trans	-62.3	-31.5	178.9	42.7	0	0	0	0	114.1	S56	S56-T58 PolarHBondContact O-N 2.86Å; S56-T58 PolarHBondContact OG-OG1 3.48Å
59	E	89.6	Confident	87.4	Confident	74 Å²	74	56.5 Å²	56.5	35%	0.346	29%	0.287	S	S	.	.	H	α-helix	trans	-77.3	-28	177.8	-70.8	165.8	154.1	0	0	112.2	F55 S56 R57 K63 K102	F55-E59 HydrophobicContact CD1-CB 4.32Å; S56-E59 PolarHBondContact N-OE2 3.33Å; S56-E59 PolarHBondContact O-N 2.91Å; S56-E59 WeakPolarHBondContact OG-CG 3.32Å; S56-E59 PolarHBondContact OG-OE2 2.76Å; R57-E59 VanDerWaalsContact C-N 3.31Å; R57-E59 PolarHBondContact O-N 3.45Å; E59-K63 VanDerWaalsContact O-CE 3.28Å; E59-K63 WeakPolarHBondContact O-CE 3.41Å; E59-K63 WeakPolarHBondContact O-CG 3.26Å; E59-K102 IonicContact OE1-NZ 3.3Å; E59-K102 PolarHBondContact OE1-NZ 2.9Å; E59-K102 IonicContact OE2-NZ 2.72Å; E59-K102 PolarHBondContact OE2-NZ 3.25Å
60	V	88.9	Confident	87.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-86.6	-36.1	-178.7	177.5	0	0	0	0	111.8	I42 C45 F49 F55 S56 R57 K63 F69	I42-V60 HydrophobicContact CD1-CG1 4.02Å; I42-V60 HydrophobicContact CG2-CG1 4.22Å; C45-V60 HydrophobicContact CB-CG1 4.04Å; F49-V60 HydrophobicContact CD1-CG1 4.37Å; F49-V60 HydrophobicContact CE1-CG1 3.73Å; F49-V60 HydrophobicContact CE1-CG2 3.96Å; F55-V60 HydrophobicContact CB-CG2 3.67Å; S56-V60 PolarHBondContact O-N 2.89Å; R57-V60 PolarHBondContact O-N 3Å; V60-K63 WeakPolarHBondContact O-CB 3.49Å; V60-K63 PolarHBondContact O-N 2.81Å; V60-F69 HydrophobicContact CG1-CZ 4.33Å; V60-F69 HydrophobicContact CG2-CE2 4.48Å; V60-F69 HydrophobicContact CG2-CZ 4.41Å
61	M	87.9	Confident	87.5	Confident	70 Å²	70	57.6 Å²	57.6	35%	0.345	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	141.6	177.7	-65.1	-136.1	67.1	0	0	111.2	V43 R57 K63	V43-M61 WeakPolarHBondContact O-CE 3.06Å; R57-M61 HydrophobicContact CG-CG 4Å; R57-M61 HydrophobicContact CG-SD 4.27Å; R57-M61 WeakPolarHBondContact O-CG 3.22Å; R57-M61 PolarHBondContact O-N 3.01Å; M61-K63 PolarHBondContact O-N 3.08Å; M61-K63 VanDerWaalsContact O-N 3.1Å
62	Q	86.2	Confident	87.4	Confident	171 Å²	171	52 Å²	52	80%	0.799	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	-0.9	-177	-53	-178.6	-12.7	0	0	116.3	I42	I42-Q62 PolarHBondContact O-N 2.8Å
63	K	88.7	Confident	87.2	Confident	109 Å²	109	56.5 Å²	56.5	47%	0.474	30%	0.3	S	S	.	.	S	Bend	trans	-74.5	164	168.8	-60.2	-65.2	-176.9	178.8	0	110.8	P41 I42 E59 V60 M61 F69	P41-K63 CarbonylContact C-O 3.48Å; P41-K63 WeakPolarHBondContact CA-O 3.37Å; I42-K63 HydrophobicContact CD1-CB 4.29Å; I42-K63 VanDerWaalsContact CG1-O 3.3Å; I42-K63 WeakPolarHBondContact CG1-O 2.97Å; I42-K63 PolarHBondContact N-O 3.19Å; E59-K63 VanDerWaalsContact O-CE 3.28Å; E59-K63 WeakPolarHBondContact O-CE 3.41Å; E59-K63 WeakPolarHBondContact O-CG 3.26Å; V60-K63 WeakPolarHBondContact O-CB 3.49Å; V60-K63 PolarHBondContact O-N 2.81Å; M61-K63 PolarHBondContact O-N 3.08Å; M61-K63 VanDerWaalsContact O-N 3.1Å; K63-F69 HydrophobicContact CB-CD1 3.96Å; K63-F69 HydrophobicContact CB-CE1 3.86Å; K63-F69 HydrophobicContact CG-CD1 4.2Å; K63-F69 HydrophobicContact CG-CE1 4.34Å
64	S	88.1	Confident	86.8	Confident	28 Å²	28	62.6 Å²	62.6	20%	0.196	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-71.1	141	-179.3	-178	0	0	0	0	112.5	G39 A66 C67	G39-S64 WeakPolarHBondContact O-CA 3.36Å; G39-S64 WeakPolarHBondContact O-CB 3.11Å; G39-S64 PolarHBondContact O-OG 2.61Å; S64-A66 PolarHBondContact O-N 3.42Å; S64-C67 PolarHBondContact O-N 3.39Å
65	C	85.1	Confident	86.8	Confident	2 Å²	2	61 Å²	61	1%	0.014	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.5	175.2	-167.4	0	0	0	0	113.6	A32 F40 C67 L87	A32-C65 HydrophobicContact CB-CB 3.54Å; F40-C65 HydrophobicContact CB-CB 3.99Å; F40-C65 WeakPolarHBondContact O-CB 3.4Å; F40-C65 PolarHBondContact O-N 3.47Å; C65-C67 PolarHBondContact O-N 2.86Å; C65-C67 VanDerWaalsContact O-N 3.09Å; C65-C67 PolarHBondContact O-SG 3.2Å; C65-C67 VanDerWaalsContact O-SG 3.33Å; C65-L87 HydrophobicContact CB-CD1 4.45Å
66	A	84.4	Confident	86.6	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-6.4	173.8	0	0	0	0	0	113	S64 K68 Y71 I83 L87	S64-A66 PolarHBondContact O-N 3.42Å; A66-K68 VanDerWaalsContact C-N 3.34Å; A66-K68 HydrophobicContact CB-CG 4.39Å; A66-K68 PolarHBondContact O-N 3.36Å; A66-Y71 PolarHBondContact O-OH 3.27Å; A66-I83 HydrophobicContact CB-CG2 4.2Å; A66-L87 HydrophobicContact CB-CD1 4.08Å
67	C	85.4	Confident	86.3	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.014	34%	0.337	C	S	.	.			trans	56.9	42.6	176.7	-60.3	0	0	0	0	113.8	S64 C65 F69 L70	S64-C67 PolarHBondContact O-N 3.39Å; C65-C67 PolarHBondContact O-N 2.86Å; C65-C67 VanDerWaalsContact O-N 3.09Å; C65-C67 PolarHBondContact O-SG 3.2Å; C65-C67 VanDerWaalsContact O-SG 3.33Å; C67-F69 HydrophobicContact CB-CE1 4.27Å; C67-F69 PolarHBondContact O-N 3.17Å; C67-L70 HydrophobicContact CB-CB 4.45Å; C67-L70 HydrophobicContact CB-CD1 3.93Å; C67-L70 HydrophobicContact CB-CG 4.24Å; C67-L70 PolarHBondContact O-N 3.49Å
68	K	84.6	Confident	86.1	Confident	125 Å²	125	65.9 Å²	65.9	54%	0.543	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-53.9	-23.7	-179.9	-59.8	-171.1	178.7	-169.7	0	114.4	A66 L70 Y71	A66-K68 VanDerWaalsContact C-N 3.34Å; A66-K68 HydrophobicContact CB-CG 4.39Å; A66-K68 PolarHBondContact O-N 3.36Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-Y71 HydrophobicContact CB-CD2 4.23Å; K68-Y71 HydrophobicContact CB-CE2 4.27Å; K68-Y71 HydrophobicContact CG-CD2 4.38Å; K68-Y71 HydrophobicContact CG-CE2 3.95Å
69	F	88.1	Confident	85.9	Confident	55 Å²	55	61.4 Å²	61.4	24%	0.241	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-77.9	-12.7	178	63.2	-88.4	0	0	0	114.1	I42 F49 F55 V60 K63 C67	I42-F69 HydrophobicContact CD1-CE1 4.37Å; F49-F69 HydrophobicContact CZ-CZ 4.29Å; F55-F69 HydrophobicContact CD2-CD2 4.33Å; F55-F69 HydrophobicContact CD2-CE2 4.21Å; F55-F69 HydrophobicContact CE1-CD2 4.42Å; F55-F69 HydrophobicContact CE2-CD2 4.06Å; F55-F69 HydrophobicContact CE2-CE2 4.35Å; F55-F69 HydrophobicContact CG-CE2 4.48Å; F55-F69 HydrophobicContact CZ-CD2 4.11Å; V60-F69 HydrophobicContact CG1-CZ 4.33Å; V60-F69 HydrophobicContact CG2-CE2 4.48Å; V60-F69 HydrophobicContact CG2-CZ 4.41Å; K63-F69 HydrophobicContact CB-CD1 3.96Å; K63-F69 HydrophobicContact CB-CE1 3.86Å; K63-F69 HydrophobicContact CG-CD1 4.2Å; K63-F69 HydrophobicContact CG-CE1 4.34Å; C67-F69 HydrophobicContact CB-CE1 4.27Å; C67-F69 PolarHBondContact O-N 3.17Å
70	L	87.8	Confident	85.7	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-96.6	-5.5	174.9	-60.8	179.5	0	0	0	112.7	F49 T53 F55 C67 K68 F99 Y100	F49-L70 HydrophobicContact CE2-CD1 4.42Å; F49-L70 HydrophobicContact CZ-CD1 4.19Å; T53-L70 HydrophobicContact CG2-CD1 4.05Å; T53-L70 HydrophobicContact CG2-CD2 4.03Å; F55-L70 HydrophobicContact CD2-CD2 4.14Å; F55-L70 HydrophobicContact CE2-CD2 3.74Å; C67-L70 HydrophobicContact CB-CB 4.45Å; C67-L70 HydrophobicContact CB-CD1 3.93Å; C67-L70 HydrophobicContact CB-CG 4.24Å; C67-L70 PolarHBondContact O-N 3.49Å; K68-L70 VanDerWaalsContact C-N 3.32Å; L70-F99 HydrophobicContact CB-CB 4.19Å; L70-F99 HydrophobicContact CB-CD1 3.5Å; L70-F99 HydrophobicContact CB-CE1 4.04Å; L70-F99 HydrophobicContact CB-CG 3.98Å; L70-F99 HydrophobicContact CD1-CD1 4.35Å; L70-F99 HydrophobicContact CD1-CD2 4.39Å; L70-F99 HydrophobicContact CD1-CG 4.26Å; L70-Y100 VanDerWaalsContact CD2-O 3.29Å; L70-Y100 WeakPolarHBondContact CD2-O 3.39Å; L70-Y100 PolarHBondContact O-N 3.23Å
71	Y	88.3	Confident	85.7	Confident	48 Å²	48	65.2 Å²	65.2	19%	0.188	34%	0.341	C	S	.	.			trans	-73.8	146.3	179	-63.1	-20.2	0	0	0	111.2	A66 K68 T75 I80 I97 F99	A66-Y71 PolarHBondContact O-OH 3.27Å; K68-Y71 HydrophobicContact CB-CD2 4.23Å; K68-Y71 HydrophobicContact CB-CE2 4.27Å; K68-Y71 HydrophobicContact CG-CD2 4.38Å; K68-Y71 HydrophobicContact CG-CE2 3.95Å; Y71-T75 HydrophobicContact CD1-CG2 4.01Å; Y71-T75 HydrophobicContact CE1-CG2 4.49Å; Y71-I80 HydrophobicContact CD1-CD1 4.46Å; Y71-I80 HydrophobicContact CD2-CD1 3.9Å; Y71-I80 HydrophobicContact CD2-CG1 4.38Å; Y71-I80 HydrophobicContact CE1-CD1 4.49Å; Y71-I80 HydrophobicContact CE1-CG1 4.13Å; Y71-I80 HydrophobicContact CE2-CB 4.44Å; Y71-I80 HydrophobicContact CE2-CD1 3.95Å; Y71-I80 HydrophobicContact CE2-CG1 3.96Å; Y71-I80 HydrophobicContact CE2-CG2 3.69Å; Y71-I80 HydrophobicContact CG-CD1 4.17Å; Y71-I97 HydrophobicContact CE1-CD1 4.02Å; Y71-F99 HydrophobicContact CD1-CD1 4.34Å; Y71-F99 AromaticContact CD1-CE1 3.96Å; Y71-F99 HydrophobicContact CD1-CE1 3.96Å; Y71-F99 AromaticContact CE1-CE1 3.84Å; Y71-F99 HydrophobicContact CE1-CE1 3.84Å
72	G	85.2	Confident	85.6	Confident	26 Å²	26	63.5 Å²	63.5	27%	0.268	34%	0.335	S	S	.	.			trans	-149.1	-170.3	171.7	0	0	0	0	0	112	E74 T75	G72-E74 VanDerWaalsContact C-N 3.26Å; G72-E74 PolarHBondContact O-N 2.86Å; G72-T75 PolarHBondContact N-OG1 3.35Å; G72-T75 VanDerWaalsContact N-OG1 3.12Å; G72-T75 WeakPolarHBondContact O-CB 3.5Å; G72-T75 PolarHBondContact O-N 3.06Å; G72-T75 VanDerWaalsContact O-N 3.1Å; G72-T75 PolarHBondContact O-OG1 2.86Å
73	P	81.3	Confident	85.7	Confident	125 Å²	125	55.3 Å²	55.3	81%	0.812	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.4	-168.2	24.9	-35	0	0	0	114.4	Y100	P73-Y100 WeakPolarHBondContact CD-OH 3.36Å
74	E	80.2	Confident	85.6	Confident	129 Å²	129	52.3 Å²	52.3	60%	0.603	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	1.9	178.4	-62.8	-172	178	0	0	113.4	G72 Y100 L106	G72-E74 VanDerWaalsContact C-N 3.26Å; G72-E74 PolarHBondContact O-N 2.86Å; E74-Y100 WeakPolarHBondContact CB-OH 3.49Å; E74-Y100 PolarHBondContact N-OH 2.85Å; E74-L106 HydrophobicContact CB-CD1 4.36Å; E74-L106 WeakPolarHBondContact OE2-CD2 3.44Å
75	T	85.4	Confident	85.6	Confident	10 Å²	10	56.4 Å²	56.4	6%	0.061	30%	0.302	C	S	.	.	S	Bend	trans	-78.9	123.8	176.5	-50.9	0	0	0	0	109.5	Y71 G72 E77 I80 I97 M98	Y71-T75 HydrophobicContact CD1-CG2 4.01Å; Y71-T75 HydrophobicContact CE1-CG2 4.49Å; G72-T75 PolarHBondContact N-OG1 3.35Å; G72-T75 VanDerWaalsContact N-OG1 3.12Å; G72-T75 WeakPolarHBondContact O-CB 3.5Å; G72-T75 PolarHBondContact O-N 3.06Å; G72-T75 VanDerWaalsContact O-N 3.1Å; G72-T75 PolarHBondContact O-OG1 2.86Å; T75-E77 PolarHBondContact O-N 3.38Å; T75-I80 HydrophobicContact CG2-CD1 3.98Å; T75-I80 HydrophobicContact CG2-CG1 4.13Å; T75-I97 HydrophobicContact CG2-CD1 3.74Å; T75-I97 HydrophobicContact CG2-CG1 3.75Å; T75-M98 WeakPolarHBondContact CG2-O 3.48Å; T75-M98 PolarHBondContact OG1-O 2.87Å
76	S	85.5	Confident	85.7	Confident	44 Å²	44	56.8 Å²	56.8	31%	0.308	31%	0.305	S	S	.	.			trans	-67.6	122.8	-177.9	54.1	0	0	0	0	112.8	S78 I79 I80	S76-S78 VanDerWaalsContact C-N 3.3Å; S76-S78 PolarHBondContact O-N 3.28Å; S76-I79 PolarHBondContact O-N 3.23Å; S76-I79 WeakPolarHBondContact OG-CB 3.34Å; S76-I79 WeakPolarHBondContact OG-CD1 3.47Å; S76-I79 WeakPolarHBondContact OG-CG1 3.26Å; S76-I80 PolarHBondContact O-N 3.32Å
77	E	84.3	Confident	85.8	Confident	159 Å²	159	56.9 Å²	56.9	74%	0.743	31%	0.306	S	S	*	.	H	α-helix	trans	-61.8	-33	-179.8	-66.2	-175.7	165.7	0	0	113.7	T75 I79 I80 L81	T75-E77 PolarHBondContact O-N 3.38Å; E77-I79 VanDerWaalsContact C-N 3.28Å; E77-I79 PolarHBondContact O-N 2.92Å; E77-I80 PolarHBondContact O-N 3.45Å; E77-L81 PolarHBondContact O-N 3.17Å; E77-L81 VanDerWaalsContact O-N 3.1Å
78	S	85.1	Confident	85.9	Confident	88 Å²	88	63.8 Å²	63.8	62%	0.615	34%	0.338	S	S	*	.	H	α-helix	trans	-61.8	-35.4	176.9	55.2	0	0	0	0	112.9	S76 S82	S76-S78 VanDerWaalsContact C-N 3.3Å; S76-S78 PolarHBondContact O-N 3.28Å; S78-S82 PolarHBondContact O-N 3.03Å; S78-S82 PolarHBondContact O-OG 3.37Å
79	I	83.6	Confident	85.9	Confident	24 Å²	24	62.3 Å²	62.3	12%	0.123	33%	0.333	C	S	.	.	H	α-helix	trans	-74.9	-38.3	178.1	-60.1	-174.5	0	0	0	110.3	S76 E77 L81 S82 I83 F93 N95 E96 I97	S76-I79 PolarHBondContact O-N 3.23Å; S76-I79 WeakPolarHBondContact OG-CB 3.34Å; S76-I79 WeakPolarHBondContact OG-CD1 3.47Å; S76-I79 WeakPolarHBondContact OG-CG1 3.26Å; E77-I79 VanDerWaalsContact C-N 3.28Å; E77-I79 PolarHBondContact O-N 2.92Å; I79-L81 VanDerWaalsContact C-N 3.34Å; I79-L81 PolarHBondContact O-N 2.93Å; I79-S82 WeakPolarHBondContact CA-OG 3.48Å; I79-S82 PolarHBondContact O-N 3.34Å; I79-S82 PolarHBondContact O-OG 3.47Å; I79-I83 HydrophobicContact CG2-CD1 4.07Å; I79-I83 HydrophobicContact CG2-CG1 4.47Å; I79-I83 WeakPolarHBondContact O-CG1 3.38Å; I79-I83 PolarHBondContact O-N 3.39Å; I79-F93 HydrophobicContact CG2-CZ 4.06Å; I79-N95 HydrophobicContact CG2-CB 4.41Å; I79-E96 VanDerWaalsContact CD1-O 3.23Å; I79-E96 WeakPolarHBondContact CD1-O 3.38Å; I79-I97 HydrophobicContact CG2-CB 4.34Å; I79-I97 HydrophobicContact CG2-CD1 4.04Å; I79-I97 HydrophobicContact CG2-CG1 4.37Å
80	I	86.6	Confident	85.9	Confident	34 Å²	34	65 Å²	65	17%	0.174	34%	0.342	C	S	.	.	H	α-helix	trans	-58.3	-47.6	176	-62.7	173.9	0	0	0	110.6	Y71 T75 S76 E77 S82 I83 D84	Y71-I80 HydrophobicContact CD1-CD1 4.46Å; Y71-I80 HydrophobicContact CD2-CD1 3.9Å; Y71-I80 HydrophobicContact CD2-CG1 4.38Å; Y71-I80 HydrophobicContact CE1-CD1 4.49Å; Y71-I80 HydrophobicContact CE1-CG1 4.13Å; Y71-I80 HydrophobicContact CE2-CB 4.44Å; Y71-I80 HydrophobicContact CE2-CD1 3.95Å; Y71-I80 HydrophobicContact CE2-CG1 3.96Å; Y71-I80 HydrophobicContact CE2-CG2 3.69Å; Y71-I80 HydrophobicContact CG-CD1 4.17Å; T75-I80 HydrophobicContact CG2-CD1 3.98Å; T75-I80 HydrophobicContact CG2-CG1 4.13Å; S76-I80 PolarHBondContact O-N 3.32Å; E77-I80 PolarHBondContact O-N 3.45Å; I80-S82 VanDerWaalsContact C-N 3.34Å; I80-S82 PolarHBondContact O-N 3.41Å; I80-I83 PolarHBondContact O-N 2.99Å; I80-D84 PolarHBondContact O-N 3.36Å; I80-D84 VanDerWaalsContact O-N 3.09Å
81	L	87.6	Confident	85.8	Confident	121 Å²	121	70.1 Å²	70.1	63%	0.634	36%	0.364	S	S	*	.	H	α-helix	trans	-62	-41.3	177.4	-69.6	172.9	0	0	0	112	E77 I79 I83 D84 E85	E77-L81 PolarHBondContact O-N 3.17Å; E77-L81 VanDerWaalsContact O-N 3.1Å; I79-L81 VanDerWaalsContact C-N 3.34Å; I79-L81 PolarHBondContact O-N 2.93Å; L81-I83 VanDerWaalsContact C-N 3.29Å; L81-I83 PolarHBondContact O-N 3.02Å; L81-D84 PolarHBondContact O-N 3.23Å; L81-E85 WeakPolarHBondContact O-CB 3.46Å; L81-E85 PolarHBondContact O-N 3.5Å
82	S	86.8	Confident	85.7	Confident	33 Å²	33	74.4 Å²	74.4	23%	0.231	39%	0.386	C	S	.	.	H	α-helix	trans	-67.3	-27.7	177.4	68	0	0	0	0	113.9	S78 I79 I80 A86 F93	S78-S82 PolarHBondContact O-N 3.03Å; S78-S82 PolarHBondContact O-OG 3.37Å; I79-S82 WeakPolarHBondContact CA-OG 3.48Å; I79-S82 PolarHBondContact O-N 3.34Å; I79-S82 PolarHBondContact O-OG 3.47Å; I80-S82 VanDerWaalsContact C-N 3.34Å; I80-S82 PolarHBondContact O-N 3.41Å; S82-A86 VanDerWaalsContact O-CB 3.26Å; S82-A86 WeakPolarHBondContact O-CB 3.37Å; S82-A86 PolarHBondContact O-N 3.01Å; S82-F93 VanDerWaalsContact OG-CE2 3.26Å; S82-F93 WeakPolarHBondContact OG-CE2 3.33Å
83	I	87.1	Confident	85.8	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-70.7	-48	173.6	-70.3	164.4	0	0	0	109.8	A66 I79 I80 L81 E85 A86 L87 F93 I97 L111 I113	A66-I83 HydrophobicContact CB-CG2 4.2Å; I79-I83 HydrophobicContact CG2-CD1 4.07Å; I79-I83 HydrophobicContact CG2-CG1 4.47Å; I79-I83 WeakPolarHBondContact O-CG1 3.38Å; I79-I83 PolarHBondContact O-N 3.39Å; I80-I83 PolarHBondContact O-N 2.99Å; L81-I83 VanDerWaalsContact C-N 3.29Å; L81-I83 PolarHBondContact O-N 3.02Å; I83-E85 VanDerWaalsContact C-N 3.35Å; I83-A86 PolarHBondContact O-N 2.94Å; I83-L87 HydrophobicContact CG2-CD1 3.98Å; I83-L87 HydrophobicContact CG2-CG 4.47Å; I83-L87 VanDerWaalsContact O-CG 3.32Å; I83-L87 WeakPolarHBondContact O-CG 3.48Å; I83-L87 PolarHBondContact O-N 3.35Å; I83-F93 HydrophobicContact CD1-CE1 4Å; I83-F93 HydrophobicContact CD1-CZ 4.2Å; I83-F93 HydrophobicContact CG1-CD1 3.91Å; I83-F93 HydrophobicContact CG1-CE1 3.31Å; I83-F93 HydrophobicContact CG1-CE2 4.01Å; I83-F93 HydrophobicContact CG1-CG 4.47Å; I83-F93 HydrophobicContact CG1-CZ 3.36Å; I83-I97 HydrophobicContact CD1-CD1 3.79Å; I83-L111 HydrophobicContact CD1-CD2 3.73Å; I83-L111 HydrophobicContact CG1-CD2 4.29Å; I83-I113 HydrophobicContact CG2-CD1 4.04Å
84	D	87.3	Confident	86.1	Confident	46 Å²	46	71.7 Å²	71.7	25%	0.246	35%	0.354	C	S	.	.	H	α-helix	trans	-62.8	-43.2	179.8	-77.6	-19.7	0	0	0	110.5	I80 L81 A86 L87 E88	I80-D84 PolarHBondContact O-N 3.36Å; I80-D84 VanDerWaalsContact O-N 3.09Å; L81-D84 PolarHBondContact O-N 3.23Å; D84-A86 PolarHBondContact O-N 3.46Å; D84-L87 PolarHBondContact O-N 3.44Å; D84-E88 WeakPolarHBondContact O-CG 3.26Å; D84-E88 PolarHBondContact O-N 2.63Å
85	E	88.3	Confident	86.4	Confident	113 Å²	113	68.6 Å²	68.6	53%	0.528	34%	0.341	S	S	.	.	H	α-helix	trans	-60.2	-45.9	173.8	-174.9	177.7	-161.2	0	0	111.8	L81 I83 L87 E88 E89	L81-E85 WeakPolarHBondContact O-CB 3.46Å; L81-E85 PolarHBondContact O-N 3.5Å; I83-E85 VanDerWaalsContact C-N 3.35Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 3.31Å; E85-E88 PolarHBondContact O-N 3.05Å; E85-E89 HydrophobicContact CG-CG 4.29Å; E85-E89 WeakPolarHBondContact O-CB 3.46Å; E85-E89 WeakPolarHBondContact O-CG 3.5Å; E85-E89 PolarHBondContact O-N 2.8Å
86	A	86.6	Confident	86.5	Confident	10 Å²	10	71.2 Å²	71.2	8%	0.083	35%	0.353	C	S	.	.	H	α-helix	trans	-66	-33.9	179.7	0	0	0	0	0	113.3	S82 I83 D84 R90 K91 F93	S82-A86 VanDerWaalsContact O-CB 3.26Å; S82-A86 WeakPolarHBondContact O-CB 3.37Å; S82-A86 PolarHBondContact O-N 3.01Å; I83-A86 PolarHBondContact O-N 2.94Å; D84-A86 PolarHBondContact O-N 3.46Å; A86-R90 WeakPolarHBondContact O-CA 3.5Å; A86-R90 PolarHBondContact O-N 2.84Å; A86-K91 PolarHBondContact O-N 2.87Å; A86-F93 HydrophobicContact CB-CB 3.73Å; A86-F93 HydrophobicContact CB-CD2 3.89Å; A86-F93 HydrophobicContact CB-CG 4.16Å
87	L	87	Confident	86.6	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-69.7	-39.8	174.6	-72.2	172.5	0	0	0	111.7	F40 C65 A66 I83 D84 E85 R90 I113 F126	F40-L87 HydrophobicContact CD2-CB 4Å; F40-L87 HydrophobicContact CD2-CD1 4.3Å; F40-L87 HydrophobicContact CE2-CB 3.74Å; C65-L87 HydrophobicContact CB-CD1 4.45Å; A66-L87 HydrophobicContact CB-CD1 4.08Å; I83-L87 HydrophobicContact CG2-CD1 3.98Å; I83-L87 HydrophobicContact CG2-CG 4.47Å; I83-L87 VanDerWaalsContact O-CG 3.32Å; I83-L87 WeakPolarHBondContact O-CG 3.48Å; I83-L87 PolarHBondContact O-N 3.35Å; D84-L87 PolarHBondContact O-N 3.44Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 3.31Å; L87-R90 PolarHBondContact O-N 3.2Å; L87-I113 HydrophobicContact CD2-CD1 4.33Å; L87-I113 HydrophobicContact CD2-CG2 4Å; L87-F126 HydrophobicContact CD2-CD1 4.12Å; L87-F126 HydrophobicContact CD2-CD2 4.14Å; L87-F126 HydrophobicContact CD2-CE1 4.15Å; L87-F126 HydrophobicContact CD2-CE2 4.17Å; L87-F126 HydrophobicContact CD2-CG 4.11Å; L87-F126 HydrophobicContact CD2-CZ 4.17Å; L87-F126 WeakPolarHBondContact O-CZ 3.49Å
88	E	86.6	Confident	86.8	Confident	147 Å²	147	62.3 Å²	62.3	69%	0.687	31%	0.307	S	S	*	.	H	α-helix	trans	-67.9	-45	175.7	-73.7	-177.7	-178.3	0	0	112.2	D84 E85 R90	D84-E88 WeakPolarHBondContact O-CG 3.26Å; D84-E88 PolarHBondContact O-N 2.63Å; E85-E88 PolarHBondContact O-N 3.05Å; E88-R90 PolarHBondContact O-N 3.25Å
89	E	86.5	Confident	87	Confident	94 Å²	94	58.1 Å²	58.1	44%	0.439	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-7.4	177.2	-66.5	-166.2	120.8	0	0	113.5	E85 K91	E85-E89 HydrophobicContact CG-CG 4.29Å; E85-E89 WeakPolarHBondContact O-CB 3.46Å; E85-E89 WeakPolarHBondContact O-CG 3.5Å; E85-E89 PolarHBondContact O-N 2.8Å; E89-K91 VanDerWaalsContact C-N 3.28Å; E89-K91 HydrophobicContact CB-CD 4.09Å; E89-K91 HydrophobicContact CB-CG 4.03Å; E89-K91 PolarHBondContact O-N 3.46Å; E89-K91 IonicContact OE1-NZ 2.84Å; E89-K91 PolarHBondContact OE1-NZ 3.05Å; E89-K91 WeakPolarHBondContact OE2-CD 3.35Å; E89-K91 VanDerWaalsContact OE2-CE 3.27Å; E89-K91 WeakPolarHBondContact OE2-CE 3.5Å; E89-K91 IonicContact OE2-NZ 2.73Å; E89-K91 PolarHBondContact OE2-NZ 3.3Å
90	R	86.1	Confident	87.3	Confident	111 Å²	111	58.8 Å²	58.8	42%	0.419	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	41.1	-177.6	-51.8	174.3	-178.5	-126.4	-3.5	112.5	A86 L87 E88 V123 F126	A86-R90 WeakPolarHBondContact O-CA 3.5Å; A86-R90 PolarHBondContact O-N 2.84Å; L87-R90 PolarHBondContact O-N 3.2Å; E88-R90 PolarHBondContact O-N 3.25Å; R90-V123 HydrophobicContact CB-CG2 4.33Å; R90-V123 PolarHBondContact NH1-O 3.19Å; R90-F126 HydrophobicContact CB-CZ 4.49Å; R90-F126 HydrophobicContact CG-CZ 4.28Å
91	K	85.8	Confident	87.4	Confident	109 Å²	109	58.3 Å²	58.3	47%	0.474	28%	0.277	S	S	.	.			trans	-101.5	161	178.9	-68.9	-179.8	-168.9	157.3	0	111.2	A86 E89	A86-K91 PolarHBondContact O-N 2.87Å; E89-K91 VanDerWaalsContact C-N 3.28Å; E89-K91 HydrophobicContact CB-CD 4.09Å; E89-K91 HydrophobicContact CB-CG 4.03Å; E89-K91 PolarHBondContact O-N 3.46Å; E89-K91 IonicContact OE1-NZ 2.84Å; E89-K91 PolarHBondContact OE1-NZ 3.05Å; E89-K91 WeakPolarHBondContact OE2-CD 3.35Å; E89-K91 VanDerWaalsContact OE2-CE 3.27Å; E89-K91 WeakPolarHBondContact OE2-CE 3.5Å; E89-K91 IonicContact OE2-NZ 2.73Å; E89-K91 PolarHBondContact OE2-NZ 3.3Å
92	E	86.4	Confident	87.4	Confident	137 Å²	137	57.4 Å²	57.4	64%	0.64	27%	0.268	S	S	*	.			trans	-68.9	133.7	171	-69.7	175.3	-174.8	0	0	109.7	I113 V114 P115	E92-I113 WeakPolarHBondContact CA-O 3.37Å; E92-V114 HydrophobicContact CG-CG1 4.35Å; E92-P115 HydrophobicContact CG-CG 4.46Å
93	F	87.6	Confident	87.3	Confident	20 Å²	20	61.6 Å²	61.6	9%	0.088	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.4	179.4	178.9	-92.1	0	0	0	110.4	I79 S82 I83 A86 N95 L111 D112 I113	I79-F93 HydrophobicContact CG2-CZ 4.06Å; S82-F93 VanDerWaalsContact OG-CE2 3.26Å; S82-F93 WeakPolarHBondContact OG-CE2 3.33Å; I83-F93 HydrophobicContact CD1-CE1 4Å; I83-F93 HydrophobicContact CD1-CZ 4.2Å; I83-F93 HydrophobicContact CG1-CD1 3.91Å; I83-F93 HydrophobicContact CG1-CE1 3.31Å; I83-F93 HydrophobicContact CG1-CE2 4.01Å; I83-F93 HydrophobicContact CG1-CG 4.47Å; I83-F93 HydrophobicContact CG1-CZ 3.36Å; A86-F93 HydrophobicContact CB-CB 3.73Å; A86-F93 HydrophobicContact CB-CD2 3.89Å; A86-F93 HydrophobicContact CB-CG 4.16Å; F93-N95 HydrophobicContact CE1-CB 3.62Å; F93-N95 HydrophobicContact CE2-CB 4.22Å; F93-N95 HydrophobicContact CZ-CB 3.38Å; F93-L111 HydrophobicContact CE1-CD2 4.29Å; F93-D112 CarbonylContact O-C 3.59Å; F93-D112 WeakPolarHBondContact O-CA 3.37Å; F93-I113 HydrophobicContact CB-CB 4.19Å; F93-I113 HydrophobicContact CD1-CD1 4.26Å; F93-I113 HydrophobicContact CD1-CG1 4.39Å; F93-I113 PolarHBondContact N-O 3.35Å; F93-I113 PolarHBondContact O-N 3.45Å
94	K	87.9	Confident	87.1	Confident	75 Å²	75	65 Å²	65	33%	0.326	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	113	176.9	-175.2	177.8	-179.7	179.9	0	110.5	L110 L111	K94-L110 HydrophobicContact CG-CD1 4.16Å; K94-L111 WeakPolarHBondContact CA-O 3.44Å
95	N	86.2	Confident	87	Confident	63 Å²	63	65.1 Å²	65.1	34%	0.337	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	161.3	178.1	-148.4	-9.7	0	0	0	112.5	I79 F93 L111	I79-N95 HydrophobicContact CG2-CB 4.41Å; F93-N95 HydrophobicContact CE1-CB 3.62Å; F93-N95 HydrophobicContact CE2-CB 4.22Å; F93-N95 HydrophobicContact CZ-CB 3.38Å; N95-L111 PolarHBondContact N-O 3.08Å; N95-L111 PolarHBondContact O-N 3.3Å
96	E	88	Confident	86.9	Confident	66 Å²	66	63.2 Å²	63.2	31%	0.308	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.1	174.5	-62.3	177.6	172.5	0	0	109.3	I79 W108 C109 L110 K137	I79-E96 VanDerWaalsContact CD1-O 3.23Å; I79-E96 WeakPolarHBondContact CD1-O 3.38Å; E96-W108 HydrophobicContact CB-CE3 4.48Å; E96-W108 HydrophobicContact CB-CZ3 4.5Å; E96-C109 WeakPolarHBondContact CA-O 3.19Å; E96-L110 HydrophobicContact CG-CD1 3.97Å; E96-K137 IonicContact OE1-NZ 3.34Å; E96-K137 WeakPolarHBondContact OE2-CE 3.43Å; E96-K137 IonicContact OE2-NZ 2.82Å; E96-K137 PolarHBondContact OE2-NZ 2.79Å
97	I	87.5	Confident	86.9	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.01	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149	-177.2	-171.2	167.4	0	0	0	110.8	Y71 T75 I79 I83 F99 C109 L111	Y71-I97 HydrophobicContact CE1-CD1 4.02Å; T75-I97 HydrophobicContact CG2-CD1 3.74Å; T75-I97 HydrophobicContact CG2-CG1 3.75Å; I79-I97 HydrophobicContact CG2-CB 4.34Å; I79-I97 HydrophobicContact CG2-CD1 4.04Å; I79-I97 HydrophobicContact CG2-CG1 4.37Å; I83-I97 HydrophobicContact CD1-CD1 3.79Å; I97-F99 HydrophobicContact CD1-CE1 3.86Å; I97-F99 HydrophobicContact CD1-CZ 4.1Å; I97-F99 HydrophobicContact CG1-CE1 4.19Å; I97-F99 HydrophobicContact CG1-CZ 4.41Å; I97-F99 HydrophobicContact CG2-CD1 4.45Å; I97-F99 HydrophobicContact CG2-CD2 3.9Å; I97-F99 HydrophobicContact CG2-CE1 3.97Å; I97-F99 HydrophobicContact CG2-CE2 3.33Å; I97-F99 HydrophobicContact CG2-CG 4.42Å; I97-F99 HydrophobicContact CG2-CZ 3.37Å; I97-C109 PolarHBondContact N-O 3Å; I97-C109 PolarHBondContact O-N 3.46Å; I97-C109 VanDerWaalsContact O-O 3.14Å; I97-L111 HydrophobicContact CG2-CB 4.04Å
98	M	87.5	Confident	86.9	Confident	13 Å²	13	67.6 Å²	67.6	6%	0.064	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	120.5	174.7	-70.6	-56.8	-82.9	0	0	111.4	T75 L106 W108	T75-M98 WeakPolarHBondContact CG2-O 3.48Å; T75-M98 PolarHBondContact OG1-O 2.87Å; M98-L106 HydrophobicContact CE-CD1 3.89Å; M98-L106 HydrophobicContact CE-CD2 3.05Å; M98-L106 HydrophobicContact CE-CG 3.27Å; M98-W108 HydrophobicContact CE-CD2 4.18Å; M98-W108 HydrophobicContact CE-CG 4.14Å; M98-W108 HydrophobicContact CE-CZ2 4.26Å; M98-W108 HydrophobicContact CG-CD2 4.09Å; M98-W108 HydrophobicContact CG-CE3 4.05Å; M98-W108 HydrophobicContact CG-CH2 3.76Å; M98-W108 HydrophobicContact CG-CZ2 3.79Å; M98-W108 HydrophobicContact CG-CZ3 3.9Å; M98-W108 HydrophobicContact SD-CB 4Å; M98-W108 HydrophobicContact SD-CD2 3.01Å; M98-W108 HydrophobicContact SD-CE3 3.47Å; M98-W108 HydrophobicContact SD-CG 3.26Å; M98-W108 HydrophobicContact SD-CH2 3.96Å; M98-W108 HydrophobicContact SD-CZ2 3.58Å; M98-W108 VanDerWaalsContact SD-CZ2 3.58Å; M98-W108 HydrophobicContact SD-CZ3 3.92Å; M98-W108 PolarHBondContact SD-NE1 3.33Å
99	F	90.3	Very high	86.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	156.9	179.2	-73.3	-44.1	0	0	0	112.2	L70 Y71 I97 F107 C109 L111 F130	L70-F99 HydrophobicContact CB-CB 4.19Å; L70-F99 HydrophobicContact CB-CD1 3.5Å; L70-F99 HydrophobicContact CB-CE1 4.04Å; L70-F99 HydrophobicContact CB-CG 3.98Å; L70-F99 HydrophobicContact CD1-CD1 4.35Å; L70-F99 HydrophobicContact CD1-CD2 4.39Å; L70-F99 HydrophobicContact CD1-CG 4.26Å; Y71-F99 HydrophobicContact CD1-CD1 4.34Å; Y71-F99 AromaticContact CD1-CE1 3.96Å; Y71-F99 HydrophobicContact CD1-CE1 3.96Å; Y71-F99 AromaticContact CE1-CE1 3.84Å; Y71-F99 HydrophobicContact CE1-CE1 3.84Å; I97-F99 HydrophobicContact CD1-CE1 3.86Å; I97-F99 HydrophobicContact CD1-CZ 4.1Å; I97-F99 HydrophobicContact CG1-CE1 4.19Å; I97-F99 HydrophobicContact CG1-CZ 4.41Å; I97-F99 HydrophobicContact CG2-CD1 4.45Å; I97-F99 HydrophobicContact CG2-CD2 3.9Å; I97-F99 HydrophobicContact CG2-CE1 3.97Å; I97-F99 HydrophobicContact CG2-CE2 3.33Å; I97-F99 HydrophobicContact CG2-CG 4.42Å; I97-F99 HydrophobicContact CG2-CZ 3.37Å; F99-F107 HydrophobicContact CB-CD1 4.35Å; F99-F107 HydrophobicContact CB-CE1 3.7Å; F99-F107 HydrophobicContact CB-CE2 4.28Å; F99-F107 HydrophobicContact CB-CZ 3.66Å; F99-F107 HydrophobicContact CD2-CZ 4.35Å; F99-F107 HydrophobicContact CG-CZ 4.5Å; F99-F107 PolarHBondContact N-O 2.75Å; F99-F107 PolarHBondContact O-N 2.86Å; F99-F107 VanDerWaalsContact O-N 3.1Å; F99-C109 HydrophobicContact CD2-CB 3.54Å; F99-C109 HydrophobicContact CE2-CB 4.01Å; F99-L111 HydrophobicContact CZ-CD2 4.28Å; F99-F130 HydrophobicContact CD2-CD1 4.45Å; F99-F130 AromaticContact CE2-CD1 3.89Å; F99-F130 HydrophobicContact CE2-CD1 3.89Å; F99-F130 AromaticContact CE2-CE1 3.78Å; F99-F130 HydrophobicContact CE2-CE1 3.78Å; F99-F130 HydrophobicContact CZ-CE1 4.27Å
100	Y	88.9	Confident	86.9	Confident	38 Å²	38	57.3 Å²	57.3	15%	0.149	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.6	175.2	-71.3	-102.2	0	0	0	110	L70 P73 E74 A105 L106	L70-Y100 VanDerWaalsContact CD2-O 3.29Å; L70-Y100 WeakPolarHBondContact CD2-O 3.39Å; L70-Y100 PolarHBondContact O-N 3.23Å; P73-Y100 WeakPolarHBondContact CD-OH 3.36Å; E74-Y100 WeakPolarHBondContact CB-OH 3.49Å; E74-Y100 PolarHBondContact N-OH 2.85Å; Y100-A105 WeakPolarHBondContact CA-O 3.37Å; Y100-L106 HydrophobicContact CD1-CD1 4.42Å; Y100-L106 HydrophobicContact CD2-CD1 4.39Å; Y100-L106 HydrophobicContact CE1-CD1 3.76Å; Y100-L106 HydrophobicContact CE2-CD1 3.68Å; Y100-L106 WeakPolarHBondContact OH-CD1 3.33Å
101	T	88.7	Confident	87	Confident	24 Å²	24	52.1 Å²	52.1	15%	0.147	27%	0.269	C	S	.	.			trans	-76.1	171	169.7	64.7	0	0	0	0	111.2	T53 T103 A104 A105 F107	T53-T101 WeakPolarHBondContact O-CA 3.37Å; T101-T103 PolarHBondContact O-N 3.48Å; T101-T103 VanDerWaalsContact O-N 3.16Å; T101-T103 PolarHBondContact OG1-OG1 3.29Å; T101-T103 VanDerWaalsContact OG1-OG1 3.09Å; T101-A104 WeakPolarHBondContact O-CA 3.4Å; T101-A104 PolarHBondContact O-N 3.25Å; T101-A105 PolarHBondContact N-O 2.75Å; T101-A105 WeakPolarHBondContact OG1-CB 3.48Å; T101-A105 PolarHBondContact OG1-N 2.88Å; T101-A105 PolarHBondContact OG1-O 3.16Å; T101-F107 HydrophobicContact CG2-CD1 3.61Å; T101-F107 HydrophobicContact CG2-CE1 3.61Å
102	K	88.2	Confident	87.1	Confident	103 Å²	103	47.6 Å²	47.6	45%	0.448	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.7	174.2	-171.3	173	-171.7	165.1	0	113.3	T53 G54 F55 E59 A104	T53-K102 PolarHBondContact O-N 3.09Å; G54-K102 WeakPolarHBondContact O-CD 3.24Å; F55-K102 HydrophobicContact CD1-CB 4.47Å; F55-K102 HydrophobicContact CD1-CD 4.2Å; F55-K102 HydrophobicContact CD1-CG 4.4Å; F55-K102 HydrophobicContact CD2-CB 4.05Å; F55-K102 HydrophobicContact CE1-CB 4.28Å; F55-K102 HydrophobicContact CE1-CD 4.4Å; F55-K102 HydrophobicContact CE1-CG 4.16Å; F55-K102 HydrophobicContact CE2-CB 3.85Å; F55-K102 HydrophobicContact CG-CB 4.37Å; F55-K102 HydrophobicContact CZ-CB 3.97Å; F55-K102 HydrophobicContact CZ-CG 4.26Å; E59-K102 IonicContact OE1-NZ 3.3Å; E59-K102 PolarHBondContact OE1-NZ 2.9Å; E59-K102 IonicContact OE2-NZ 2.72Å; E59-K102 PolarHBondContact OE2-NZ 3.25Å; K102-A104 PolarHBondContact O-N 3.24Å
103	T	85.5	Confident	87.1	Confident	120 Å²	120	41.2 Å²	41.2	74%	0.736	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	12.5	175.8	60.2	0	0	0	0	112.9	T101 A105	T101-T103 PolarHBondContact O-N 3.48Å; T101-T103 VanDerWaalsContact O-N 3.16Å; T101-T103 PolarHBondContact OG1-OG1 3.29Å; T101-T103 VanDerWaalsContact OG1-OG1 3.09Å; T103-A105 PolarHBondContact O-N 3.13Å
104	A	81.7	Confident	87.1	Confident	72 Å²	72	40.5 Å²	40.5	60%	0.595	22%	0.217	S	C	*	.			trans	58.5	25.1	-174.8	0	0	0	0	0	114.4	T101 K102	T101-A104 WeakPolarHBondContact O-CA 3.4Å; T101-A104 PolarHBondContact O-N 3.25Å; K102-A104 PolarHBondContact O-N 3.24Å
105	A	85.4	Confident	87.2	Confident	49 Å²	49	37.5 Å²	37.5	41%	0.405	21%	0.206	S	C	.	.			trans	-80.6	137.6	172.5	0	0	0	0	0	110	Y100 T101 T103	Y100-A105 WeakPolarHBondContact CA-O 3.37Å; T101-A105 PolarHBondContact N-O 2.75Å; T101-A105 WeakPolarHBondContact OG1-CB 3.48Å; T101-A105 PolarHBondContact OG1-N 2.88Å; T101-A105 PolarHBondContact OG1-O 3.16Å; T103-A105 PolarHBondContact O-N 3.13Å
106	L	86.8	Confident	87.1	Confident	72 Å²	72	34.8 Å²	34.8	38%	0.377	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	130.9	-175.8	-166.6	95.8	0	0	0	110.4	E74 M98 Y100	E74-L106 HydrophobicContact CB-CD1 4.36Å; E74-L106 WeakPolarHBondContact OE2-CD2 3.44Å; M98-L106 HydrophobicContact CE-CD1 3.89Å; M98-L106 HydrophobicContact CE-CD2 3.05Å; M98-L106 HydrophobicContact CE-CG 3.27Å; Y100-L106 HydrophobicContact CD1-CD1 4.42Å; Y100-L106 HydrophobicContact CD2-CD1 4.39Å; Y100-L106 HydrophobicContact CE1-CD1 3.76Å; Y100-L106 HydrophobicContact CE2-CD1 3.68Å; Y100-L106 WeakPolarHBondContact OH-CD1 3.33Å
107	F	87.1	Confident	86.9	Confident	11 Å²	11	36.9 Å²	36.9	5%	0.048	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	145.9	174.4	72.5	-80.7	0	0	0	112.3	L52 F99 T101 C109 T134	L52-F107 HydrophobicContact CD1-CD2 4.32Å; L52-F107 HydrophobicContact CD1-CE2 4.06Å; L52-F107 HydrophobicContact CD1-CZ 4.5Å; L52-F107 HydrophobicContact CD2-CE2 3.9Å; L52-F107 HydrophobicContact CD2-CZ 4.25Å; L52-F107 HydrophobicContact CG-CE2 4Å; L52-F107 HydrophobicContact CG-CZ 4.11Å; F99-F107 HydrophobicContact CB-CD1 4.35Å; F99-F107 HydrophobicContact CB-CE1 3.7Å; F99-F107 HydrophobicContact CB-CE2 4.28Å; F99-F107 HydrophobicContact CB-CZ 3.66Å; F99-F107 HydrophobicContact CD2-CZ 4.35Å; F99-F107 HydrophobicContact CG-CZ 4.5Å; F99-F107 PolarHBondContact N-O 2.75Å; F99-F107 PolarHBondContact O-N 2.86Å; F99-F107 VanDerWaalsContact O-N 3.1Å; T101-F107 HydrophobicContact CG2-CD1 3.61Å; T101-F107 HydrophobicContact CG2-CE1 3.61Å; F107-C109 HydrophobicContact CD2-CB 4.18Å; F107-C109 HydrophobicContact CE2-CB 3.78Å; F107-T134 WeakPolarHBondContact CA-OG1 3.29Å; F107-T134 WeakPolarHBondContact CB-OG1 3.3Å
108	W	86.9	Confident	86.6	Confident	93 Å²	93	39 Å²	39	35%	0.352	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.1	175.9	-81.7	88.9	0	0	0	109.6	E96 M98 I133 T134 K137	E96-W108 HydrophobicContact CB-CE3 4.48Å; E96-W108 HydrophobicContact CB-CZ3 4.5Å; M98-W108 HydrophobicContact CE-CD2 4.18Å; M98-W108 HydrophobicContact CE-CG 4.14Å; M98-W108 HydrophobicContact CE-CZ2 4.26Å; M98-W108 HydrophobicContact CG-CD2 4.09Å; M98-W108 HydrophobicContact CG-CE3 4.05Å; M98-W108 HydrophobicContact CG-CH2 3.76Å; M98-W108 HydrophobicContact CG-CZ2 3.79Å; M98-W108 HydrophobicContact CG-CZ3 3.9Å; M98-W108 HydrophobicContact SD-CB 4Å; M98-W108 HydrophobicContact SD-CD2 3.01Å; M98-W108 HydrophobicContact SD-CE3 3.47Å; M98-W108 HydrophobicContact SD-CG 3.26Å; M98-W108 HydrophobicContact SD-CH2 3.96Å; M98-W108 HydrophobicContact SD-CZ2 3.58Å; M98-W108 VanDerWaalsContact SD-CZ2 3.58Å; M98-W108 HydrophobicContact SD-CZ3 3.92Å; M98-W108 PolarHBondContact SD-NE1 3.33Å; W108-I133 PolarHBondContact O-N 3.03Å; W108-T134 PolarHBondContact N-OG1 3.43Å; W108-K137 HydrophobicContact CD2-CG 4.49Å; W108-K137 HydrophobicContact CG-CG 4.3Å
109	C	86.3	Confident	85.8	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.7	178.9	-170.2	0	0	0	0	111.4	E96 I97 F99 F107 K131	E96-C109 WeakPolarHBondContact CA-O 3.19Å; I97-C109 PolarHBondContact N-O 3Å; I97-C109 PolarHBondContact O-N 3.46Å; I97-C109 VanDerWaalsContact O-O 3.14Å; F99-C109 HydrophobicContact CD2-CB 3.54Å; F99-C109 HydrophobicContact CE2-CB 4.01Å; F107-C109 HydrophobicContact CD2-CB 4.18Å; F107-C109 HydrophobicContact CE2-CB 3.78Å; C109-K131 CarbonylContact C-O 3.5Å; C109-K131 WeakPolarHBondContact CA-O 3.25Å
110	L	86.9	Confident	85.1	Confident	24 Å²	24	52.1 Å²	52.1	13%	0.126	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	114.5	160.7	177.4	72.9	0	0	0	108.4	K94 E96 K131 I133 V193	K94-L110 HydrophobicContact CG-CD1 4.16Å; E96-L110 HydrophobicContact CG-CD1 3.97Å; L110-K131 HydrophobicContact CB-CB 4.37Å; L110-K131 PolarHBondContact N-O 2.9Å; L110-K131 PolarHBondContact O-N 2.79Å; L110-I133 HydrophobicContact CB-CD1 3.38Å; L110-I133 HydrophobicContact CB-CG1 4.12Å; L110-I133 HydrophobicContact CD2-CD1 4.05Å; L110-I133 HydrophobicContact CG-CD1 4.26Å; L110-V193 HydrophobicContact CD2-CG2 3.99Å
111	L	87.6	Confident	84.3	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.016	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.8	176.4	179.2	62.8	0	0	0	109.2	I83 F93 K94 N95 I97 F99 I113 A128 F130	I83-L111 HydrophobicContact CD1-CD2 3.73Å; I83-L111 HydrophobicContact CG1-CD2 4.29Å; F93-L111 HydrophobicContact CE1-CD2 4.29Å; K94-L111 WeakPolarHBondContact CA-O 3.44Å; N95-L111 PolarHBondContact N-O 3.08Å; N95-L111 PolarHBondContact O-N 3.3Å; I97-L111 HydrophobicContact CG2-CB 4.04Å; F99-L111 HydrophobicContact CZ-CD2 4.28Å; L111-I113 HydrophobicContact CD1-CG1 4.09Å; L111-I113 HydrophobicContact CD2-CD1 4.06Å; L111-I113 HydrophobicContact CD2-CG1 4.3Å; L111-I113 HydrophobicContact CG-CD1 4.29Å; L111-I113 HydrophobicContact CG-CG1 3.97Å; L111-A128 HydrophobicContact CD1-CB 4.29Å; L111-F130 HydrophobicContact CD1-CD1 3.96Å; L111-F130 HydrophobicContact CD1-CE1 3.52Å; L111-F130 HydrophobicContact CD1-CE2 4.37Å; L111-F130 HydrophobicContact CD1-CZ 3.74Å
112	D	87.1	Confident	84.1	Confident	14 Å²	14	55.6 Å²	55.6	8%	0.075	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	107.4	178	-167.3	-0.9	0	0	0	109	F93 A128 S129 F194	F93-D112 CarbonylContact O-C 3.59Å; F93-D112 WeakPolarHBondContact O-CA 3.37Å; D112-A128 CarbonylContact O-C 3.54Å; D112-A128 WeakPolarHBondContact O-CA 3.41Å; D112-S129 PolarHBondContact N-O 3.02Å; D112-S129 PolarHBondContact O-N 3.15Å; D112-F194 WeakPolarHBondContact OD2-CE2 3.09Å
113	I	88	Confident	83.9	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.8	-178.8	-49.9	179.2	0	0	0	108.9	I83 L87 E92 F93 L111 F126 L127 A128	I83-I113 HydrophobicContact CG2-CD1 4.04Å; L87-I113 HydrophobicContact CD2-CD1 4.33Å; L87-I113 HydrophobicContact CD2-CG2 4Å; E92-I113 WeakPolarHBondContact CA-O 3.37Å; F93-I113 HydrophobicContact CB-CB 4.19Å; F93-I113 HydrophobicContact CD1-CD1 4.26Å; F93-I113 HydrophobicContact CD1-CG1 4.39Å; F93-I113 PolarHBondContact N-O 3.35Å; F93-I113 PolarHBondContact O-N 3.45Å; L111-I113 HydrophobicContact CD1-CG1 4.09Å; L111-I113 HydrophobicContact CD2-CD1 4.06Å; L111-I113 HydrophobicContact CD2-CG1 4.3Å; L111-I113 HydrophobicContact CG-CD1 4.29Å; L111-I113 HydrophobicContact CG-CG1 3.97Å; I113-F126 HydrophobicContact CG2-CB 4.35Å; I113-F126 HydrophobicContact CG2-CD1 4.14Å; I113-L127 CarbonylContact C-O 3.56Å; I113-L127 WeakPolarHBondContact CA-O 3.5Å; I113-A128 HydrophobicContact CG1-CB 4Å
114	V	87.5	Confident	83.9	Confident	5 Å²	5	46 Å²	46	3%	0.03	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.6	-178	-176.4	0	0	0	0	110.4	E92 L127 F194 L200	E92-V114 HydrophobicContact CG-CG1 4.35Å; V114-L127 PolarHBondContact N-O 3.08Å; V114-L127 PolarHBondContact O-N 2.9Å; V114-F194 HydrophobicContact CG2-CE2 3.88Å; V114-F194 HydrophobicContact CG2-CZ 4.26Å; V114-L200 HydrophobicContact CG1-CD1 3.42Å; V114-L200 VanDerWaalsContact CG1-CD1 3.42Å; V114-L200 HydrophobicContact CG1-CD2 3.7Å; V114-L200 HydrophobicContact CG1-CG 4.2Å
115	P	88.5	Confident	84.2	Confident	13 Å²	13	43.4 Å²	43.4	8%	0.084	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.4	174.5	29.3	-32.6	0	0	0	111.5	E92 V123 F126	E92-P115 HydrophobicContact CG-CG 4.46Å; P115-V123 HydrophobicContact CB-CG1 3.57Å; P115-V123 HydrophobicContact CB-CG2 4.07Å; P115-F126 HydrophobicContact CB-CD1 4.05Å; P115-F126 HydrophobicContact CB-CE1 3.89Å
116	I	84.9	Confident	84.4	Confident	5 Å²	5	41.1 Å²	41.1	3%	0.026	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.1	177.9	-61.7	150.3	0	0	0	109.3	F14 L31 V123 V124 L125 L127	F14-I116 HydrophobicContact CE1-CD1 4.32Å; F14-I116 HydrophobicContact CE2-CD1 4.42Å; F14-I116 HydrophobicContact CE2-CG2 3.98Å; F14-I116 HydrophobicContact CZ-CD1 3.53Å; F14-I116 HydrophobicContact CZ-CG1 4.23Å; F14-I116 HydrophobicContact CZ-CG2 4.02Å; L31-I116 HydrophobicContact CD2-CD1 3.92Å; I116-V123 WeakPolarHBondContact O-CA 3.45Å; I116-V124 PolarHBondContact O-N 3.44Å; I116-L125 WeakPolarHBondContact CA-O 3.24Å; I116-L125 HydrophobicContact CB-CB 4.09Å; I116-L125 WeakPolarHBondContact CB-O 3.33Å; I116-L125 HydrophobicContact CD1-CB 3.79Å; I116-L125 PolarHBondContact N-O 2.87Å; I116-L125 PolarHBondContact O-N 2.89Å; I116-L127 HydrophobicContact CD1-CB 3.68Å; I116-L127 HydrophobicContact CG1-CB 4.28Å
117	K	83.4	Confident	84.5	Confident	111 Å²	111	38 Å²	38	48%	0.483	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	152.3	-179.7	-62.6	177.8	-177.8	-178.3	0	111.8	D122 V123 E202 Y203	K117-D122 CarbonylContact C-O 3.5Å; K117-D122 VanDerWaalsContact CA-O 3.28Å; K117-D122 WeakPolarHBondContact CA-O 3.35Å; K117-V123 HydrophobicContact CG-CG2 4.02Å; K117-E202 WeakPolarHBondContact O-CA 3.25Å; K117-E202 WeakPolarHBondContact O-CB 3.02Å; K117-Y203 PolarHBondContact O-N 3.38Å; K117-Y203 VanDerWaalsContact O-N 3.12Å
118	N	80.8	Confident	84.5	Confident	45 Å²	45	37.4 Å²	37.4	24%	0.241	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-90.9	173.5	169.6	-164.9	-2	0	0	0	110.3	K120 G121 D122 V124 Y203	N118-K120 PolarHBondContact O-N 3.4Å; N118-G121 PolarHBondContact O-N 2.89Å; N118-D122 PolarHBondContact N-O 3.23Å; N118-V124 HydrophobicContact CB-CG1 3.74Å; N118-V124 HydrophobicContact CB-CG2 4.04Å; N118-Y203 PolarHBondContact OD1-O 2.89Å
119	E	71.3	Confident	84.5	Confident	113 Å²	113	33.5 Å²	33.5	53%	0.528	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.1	178	-58	-170.5	138.5	0	0	113.8	G121 K204	E119-G121 VanDerWaalsContact C-N 3.28Å; E119-K204 HydrophobicContact CG-CB 4.28Å; E119-K204 HydrophobicContact CG-CD 4.04Å; E119-K204 HydrophobicContact CG-CG 3.95Å; E119-K204 WeakPolarHBondContact OE1-CD 3.41Å; E119-K204 WeakPolarHBondContact OE1-CE 3.3Å; E119-K204 VanDerWaalsContact OE1-CG 3.23Å; E119-K204 WeakPolarHBondContact OE1-CG 3.49Å; E119-K204 IonicContact OE1-NZ 2.83Å; E119-K204 PolarHBondContact OE1-NZ 3.47Å
120	K	74.6	Confident	84.6	Confident	177 Å²	177	33.7 Å²	33.7	77%	0.77	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-2.3	178.4	-60.8	-176.4	-179.4	-178.5	0	113.4	N118 D122	N118-K120 PolarHBondContact O-N 3.4Å; K120-D122 VanDerWaalsContact C-N 3.31Å
121	G	74.1	Confident	84.5	Confident	43 Å²	43	37.9 Å²	37.9	44%	0.443	19%	0.192	S	C	.	.	S	Bend	trans	86.2	-6.6	-175.5	0	0	0	0	0	114.8	N118 E119	N118-G121 PolarHBondContact O-N 2.89Å; E119-G121 VanDerWaalsContact C-N 3.28Å
122	D	83.1	Confident	84.3	Confident	92 Å²	92	41.3 Å²	41.3	49%	0.492	21%	0.21	S	C	.	.			trans	-74.5	136.2	-179.9	-59.8	-43.2	0	0	0	112	K117 N118 K120 V124	K117-D122 CarbonylContact C-O 3.5Å; K117-D122 VanDerWaalsContact CA-O 3.28Å; K117-D122 WeakPolarHBondContact CA-O 3.35Å; N118-D122 PolarHBondContact N-O 3.23Å; K120-D122 VanDerWaalsContact C-N 3.31Å; D122-V124 PolarHBondContact O-N 2.83Å
123	V	83.9	Confident	84.2	Confident	12 Å²	12	41.9 Å²	41.9	7%	0.073	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	116.7	173.7	-177.1	0	0	0	0	109.6	A34 R90 P115 I116 K117 F126	A34-V123 HydrophobicContact CB-CG1 3.81Å; R90-V123 HydrophobicContact CB-CG2 4.33Å; R90-V123 PolarHBondContact NH1-O 3.19Å; P115-V123 HydrophobicContact CB-CG1 3.57Å; P115-V123 HydrophobicContact CB-CG2 4.07Å; I116-V123 WeakPolarHBondContact O-CA 3.45Å; K117-V123 HydrophobicContact CG-CG2 4.02Å; V123-F126 HydrophobicContact CG1-CE1 4.41Å
124	V	85.7	Confident	83.8	Confident	9 Å²	9	43.8 Å²	43.8	6%	0.055	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-33.1	-177	-75.5	0	0	0	0	113.2	N33 A34 Q35 I116 N118 D122 Y203	N33-V124 PolarHBondContact OD1-O 3.25Å; A34-V124 PolarHBondContact N-O 2.97Å; Q35-V124 HydrophobicContact CG-CG1 4.43Å; I116-V124 PolarHBondContact O-N 3.44Å; N118-V124 HydrophobicContact CB-CG1 3.74Å; N118-V124 HydrophobicContact CB-CG2 4.04Å; D122-V124 PolarHBondContact O-N 2.83Å; V124-Y203 HydrophobicContact CG2-CD1 4.06Å; V124-Y203 HydrophobicContact CG2-CG 4.13Å
125	L	88.3	Confident	83.2	Confident	18 Å²	18	49.3 Å²	49.3	9%	0.094	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.2	-177.4	-70.3	162.3	0	0	0	110.4	F14 A32 V43 I116 Y203	F14-L125 HydrophobicContact CE1-CD1 4.14Å; A32-L125 CarbonylContact O-C 3.2Å; A32-L125 WeakPolarHBondContact O-CA 3.41Å; A32-L125 WeakPolarHBondContact O-CD2 3.37Å; V43-L125 HydrophobicContact CG2-CD2 3.92Å; I116-L125 WeakPolarHBondContact CA-O 3.24Å; I116-L125 HydrophobicContact CB-CB 4.09Å; I116-L125 WeakPolarHBondContact CB-O 3.33Å; I116-L125 HydrophobicContact CD1-CB 3.79Å; I116-L125 PolarHBondContact N-O 2.87Å; I116-L125 PolarHBondContact O-N 2.89Å; L125-Y203 HydrophobicContact CD1-CD2 3.35Å; L125-Y203 HydrophobicContact CD1-CE2 3.78Å; L125-Y203 HydrophobicContact CD1-CG 3.78Å
126	F	89	Confident	82.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.7	164.8	-70	-73.3	0	0	0	109.2	L31 A32 A34 F40 L87 R90 I113 P115 V123	L31-F126 CarbonylContact C-O 3.53Å; L31-F126 VanDerWaalsContact CA-O 3.3Å; L31-F126 WeakPolarHBondContact CA-O 3.43Å; A32-F126 HydrophobicContact CB-CB 4.42Å; A32-F126 PolarHBondContact N-O 2.82Å; A32-F126 PolarHBondContact O-N 3.47Å; A34-F126 HydrophobicContact CB-CD2 3.63Å; A34-F126 HydrophobicContact CB-CE2 3.41Å; A34-F126 VanDerWaalsContact CB-CE2 3.41Å; A34-F126 HydrophobicContact CB-CG 4.46Å; A34-F126 HydrophobicContact CB-CZ 4.11Å; F40-F126 HydrophobicContact CD1-CD2 4.37Å; F40-F126 AromaticContact CD1-CE2 3.79Å; F40-F126 HydrophobicContact CD1-CE2 3.79Å; F40-F126 AromaticContact CE1-CE2 3.96Å; F40-F126 HydrophobicContact CE1-CE2 3.96Å; F40-F126 HydrophobicContact CG-CE2 4.24Å; L87-F126 HydrophobicContact CD2-CD1 4.12Å; L87-F126 HydrophobicContact CD2-CD2 4.14Å; L87-F126 HydrophobicContact CD2-CE1 4.15Å; L87-F126 HydrophobicContact CD2-CE2 4.17Å; L87-F126 HydrophobicContact CD2-CG 4.11Å; L87-F126 HydrophobicContact CD2-CZ 4.17Å; L87-F126 WeakPolarHBondContact O-CZ 3.49Å; R90-F126 HydrophobicContact CB-CZ 4.49Å; R90-F126 HydrophobicContact CG-CZ 4.28Å; I113-F126 HydrophobicContact CG2-CB 4.35Å; I113-F126 HydrophobicContact CG2-CD1 4.14Å; P115-F126 HydrophobicContact CB-CD1 4.05Å; P115-F126 HydrophobicContact CB-CE1 3.89Å; V123-F126 HydrophobicContact CG1-CE1 4.41Å
127	L	89	Confident	82	Confident	6 Å²	6	55.4 Å²	55.4	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	114.7	169.7	174.6	68.2	0	0	0	108.3	F22 F29 L31 I113 V114 I116 F194	F22-L127 HydrophobicContact CE2-CD2 4.11Å; F22-L127 HydrophobicContact CZ-CD2 4.18Å; F29-L127 HydrophobicContact CB-CD1 4.09Å; F29-L127 HydrophobicContact CD2-CD1 3.69Å; F29-L127 HydrophobicContact CE2-CD1 4.5Å; F29-L127 HydrophobicContact CG-CD1 4.15Å; L31-L127 HydrophobicContact CD2-CB 4.06Å; L31-L127 HydrophobicContact CD2-CD1 3.63Å; L31-L127 HydrophobicContact CD2-CG 4.46Å; L31-L127 HydrophobicContact CG-CD1 4.44Å; I113-L127 CarbonylContact C-O 3.56Å; I113-L127 WeakPolarHBondContact CA-O 3.5Å; V114-L127 PolarHBondContact N-O 3.08Å; V114-L127 PolarHBondContact O-N 2.9Å; I116-L127 HydrophobicContact CD1-CB 3.68Å; I116-L127 HydrophobicContact CG1-CB 4.28Å; L127-F194 HydrophobicContact CD2-CE1 4.42Å; L127-F194 HydrophobicContact CD2-CZ 4.26Å
128	A	88.4	Confident	81.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.7	173.5	0	0	0	0	0	110	F29 I30 L111 D112 I113 F130	F29-A128 CarbonylContact C-O 3.49Å; F29-A128 WeakPolarHBondContact CA-O 3.37Å; F29-A128 WeakPolarHBondContact CB-O 3.39Å; I30-A128 HydrophobicContact CD1-CB 4.06Å; I30-A128 HydrophobicContact CG1-CB 3.73Å; I30-A128 PolarHBondContact N-O 2.82Å; I30-A128 PolarHBondContact O-N 3.13Å; L111-A128 HydrophobicContact CD1-CB 4.29Å; D112-A128 CarbonylContact O-C 3.54Å; D112-A128 WeakPolarHBondContact O-CA 3.41Å; I113-A128 HydrophobicContact CG1-CB 4Å; A128-F130 HydrophobicContact CB-CE2 4.08Å; A128-F130 HydrophobicContact CB-CZ 4.33Å
129	S	87	Confident	80.7	Confident	10 Å²	10	56.8 Å²	56.8	7%	0.07	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139.7	177.9	-177.4	0	0	0	0	110.3	D112	D112-S129 PolarHBondContact N-O 3.02Å; D112-S129 PolarHBondContact O-N 3.15Å
130	F	87	Confident	80.6	Confident	5 Å²	5	53.4 Å²	53.4	2%	0.022	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.1	-176	-60.3	-98.7	0	0	0	109.1	N28 I30 F49 L52 F99 L111 A128	N28-F130 HydrophobicContact CB-CB 4.04Å; N28-F130 WeakPolarHBondContact CB-O 3.3Å; N28-F130 PolarHBondContact ND2-O 3.47Å; N28-F130 PolarHBondContact O-N 3.05Å; I30-F130 HydrophobicContact CB-CE2 4.5Å; I30-F130 HydrophobicContact CD1-CE2 3.74Å; I30-F130 HydrophobicContact CD1-CZ 3.75Å; I30-F130 HydrophobicContact CG1-CE2 3.84Å; I30-F130 HydrophobicContact CG1-CZ 4.35Å; I30-F130 HydrophobicContact CG2-CE2 4.08Å; F49-F130 AromaticContact CD2-CD2 3.58Å; F49-F130 HydrophobicContact CD2-CD2 3.58Å; F49-F130 AromaticContact CD2-CE2 3.81Å; F49-F130 HydrophobicContact CD2-CE2 3.81Å; F49-F130 HydrophobicContact CD2-CG 4Å; F49-F130 HydrophobicContact CD2-CZ 4.39Å; F49-F130 HydrophobicContact CE2-CD1 4.07Å; F49-F130 AromaticContact CE2-CD2 3.7Å; F49-F130 HydrophobicContact CE2-CD2 3.7Å; F49-F130 AromaticContact CE2-CE1 3.92Å; F49-F130 HydrophobicContact CE2-CE1 3.92Å; F49-F130 AromaticContact CE2-CE2 3.55Å; F49-F130 HydrophobicContact CE2-CE2 3.55Å; F49-F130 AromaticContact CE2-CG 3.98Å; F49-F130 HydrophobicContact CE2-CG 3.98Å; F49-F130 AromaticContact CE2-CZ 3.68Å; F49-F130 HydrophobicContact CE2-CZ 3.68Å; F49-F130 HydrophobicContact CZ-CZ 4.46Å; L52-F130 HydrophobicContact CD2-CB 4.13Å; F99-F130 HydrophobicContact CD2-CD1 4.45Å; F99-F130 AromaticContact CE2-CD1 3.89Å; F99-F130 HydrophobicContact CE2-CD1 3.89Å; F99-F130 AromaticContact CE2-CE1 3.78Å; F99-F130 HydrophobicContact CE2-CE1 3.78Å; F99-F130 HydrophobicContact CZ-CE1 4.27Å; L111-F130 HydrophobicContact CD1-CD1 3.96Å; L111-F130 HydrophobicContact CD1-CE1 3.52Å; L111-F130 HydrophobicContact CD1-CE2 4.37Å; L111-F130 HydrophobicContact CD1-CZ 3.74Å; A128-F130 HydrophobicContact CB-CE2 4.08Å; A128-F130 HydrophobicContact CB-CZ 4.33Å
131	K	85.6	Confident	80.1	Confident	113 Å²	113	49.9 Å²	49.9	49%	0.491	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123	174.6	-176.3	174.5	-176.8	173.7	0	110.1	C109 L110 I133	C109-K131 CarbonylContact C-O 3.5Å; C109-K131 WeakPolarHBondContact CA-O 3.25Å; L110-K131 HydrophobicContact CB-CB 4.37Å; L110-K131 PolarHBondContact N-O 2.9Å; L110-K131 PolarHBondContact O-N 2.79Å; K131-I133 HydrophobicContact CG-CG1 4.4Å; K131-I133 PolarHBondContact O-N 3.42Å
132	D	84	Confident	79.5	Confident	74 Å²	74	53.3 Å²	53.3	40%	0.396	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.8	174	-168.4	-9.3	0	0	0	110.3	L52 T134	L52-D132 HydrophobicContact CD1-CB 4.17Å; D132-T134 WeakPolarHBondContact OD1-CB 3.16Å; D132-T134 PolarHBondContact OD1-N 2.94Å; D132-T134 PolarHBondContact OD1-OG1 3.38Å
133	I	83.3	Confident	78.4	Confident	27 Å²	27	55.4 Å²	55.4	14%	0.138	29%	0.292	C	S	.	.			trans	-119.5	7.1	-178.3	-57.2	-164.7	0	0	0	110.3	W108 L110 K131 D135 T136 K137	W108-I133 PolarHBondContact O-N 3.03Å; L110-I133 HydrophobicContact CB-CD1 3.38Å; L110-I133 HydrophobicContact CB-CG1 4.12Å; L110-I133 HydrophobicContact CD2-CD1 4.05Å; L110-I133 HydrophobicContact CG-CD1 4.26Å; K131-I133 HydrophobicContact CG-CG1 4.4Å; K131-I133 PolarHBondContact O-N 3.42Å; I133-D135 VanDerWaalsContact C-N 3.35Å; I133-D135 PolarHBondContact O-N 2.95Å; I133-T136 WeakPolarHBondContact CA-OG1 3.4Å; I133-T136 WeakPolarHBondContact CG2-OG1 3.39Å; I133-T136 PolarHBondContact O-N 2.89Å; I133-T136 VanDerWaalsContact O-N 3.09Å; I133-T136 PolarHBondContact O-OG1 3.23Å; I133-K137 HydrophobicContact CG2-CG 3.93Å; I133-K137 PolarHBondContact O-N 3.09Å
134	T	80.8	Confident	77.2	Confident	42 Å²	42	60 Å²	60	26%	0.258	32%	0.316	S	S	.	.	H	α-helix	trans	-54.1	-47.6	-175.4	-53.6	0	0	0	0	112.3	F107 W108 D132 T136 K137 A138	F107-T134 WeakPolarHBondContact CA-OG1 3.29Å; F107-T134 WeakPolarHBondContact CB-OG1 3.3Å; W108-T134 PolarHBondContact N-OG1 3.43Å; D132-T134 WeakPolarHBondContact OD1-CB 3.16Å; D132-T134 PolarHBondContact OD1-N 2.94Å; D132-T134 PolarHBondContact OD1-OG1 3.38Å; T134-T136 PolarHBondContact O-N 2.97Å; T134-K137 PolarHBondContact O-N 3.45Å; T134-A138 WeakPolarHBondContact O-CB 3.38Å; T134-A138 PolarHBondContact O-N 2.92Å
135	D	74.4	Confident	75.9	Confident	120 Å²	120	66.5 Å²	66.5	64%	0.642	34%	0.344	S	S	*	.	H	α-helix	trans	-65.2	-38.7	178.8	-77.5	-13.6	0	0	0	113.5	I133 K139	I133-D135 VanDerWaalsContact C-N 3.35Å; I133-D135 PolarHBondContact O-N 2.95Å; D135-K139 WeakPolarHBondContact O-CB 3.37Å; D135-K139 VanDerWaalsContact O-CG 3.27Å; D135-K139 WeakPolarHBondContact O-CG 3.25Å; D135-K139 PolarHBondContact O-N 2.71Å
136	T	75.3	Confident	74.5	Confident	83 Å²	83	71 Å²	71	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-71.9	-36.1	179.7	35.8	0	0	0	0	112.1	I133 T134 A140	I133-T136 WeakPolarHBondContact CA-OG1 3.4Å; I133-T136 WeakPolarHBondContact CG2-OG1 3.39Å; I133-T136 PolarHBondContact O-N 2.89Å; I133-T136 VanDerWaalsContact O-N 3.09Å; I133-T136 PolarHBondContact O-OG1 3.23Å; T134-T136 PolarHBondContact O-N 2.97Å; T136-A140 WeakPolarHBondContact O-CB 3.47Å; T136-A140 PolarHBondContact O-N 3.37Å
137	K	73.6	Confident	72.8	Confident	64 Å²	64	75.5 Å²	75.5	28%	0.278	38%	0.383	S	S	.	.	H	α-helix	trans	-70.5	-41.7	172.8	-75.3	-79.4	-177.2	171.6	0	111.2	E96 W108 I133 T134 K139 A140 I141	E96-K137 IonicContact OE1-NZ 3.34Å; E96-K137 WeakPolarHBondContact OE2-CE 3.43Å; E96-K137 IonicContact OE2-NZ 2.82Å; E96-K137 PolarHBondContact OE2-NZ 2.79Å; W108-K137 HydrophobicContact CD2-CG 4.49Å; W108-K137 HydrophobicContact CG-CG 4.3Å; I133-K137 HydrophobicContact CG2-CG 3.93Å; I133-K137 PolarHBondContact O-N 3.09Å; T134-K137 PolarHBondContact O-N 3.45Å; K137-K139 VanDerWaalsContact C-N 3.3Å; K137-K139 PolarHBondContact O-N 2.97Å; K137-A140 PolarHBondContact O-N 3.02Å; K137-I141 WeakPolarHBondContact O-CB 3.27Å; K137-I141 WeakPolarHBondContact O-CD1 3.46Å; K137-I141 VanDerWaalsContact O-CG1 3.23Å; K137-I141 WeakPolarHBondContact O-CG1 3.27Å; K137-I141 PolarHBondContact O-N 2.72Å
138	A	69.3	Low	71.1	Confident	56 Å²	56	78 Å²	78	46%	0.463	41%	0.405	S	S	.	.	H	α-helix	trans	-58.6	-42.7	175.1	0	0	0	0	0	111.8	T134 Q142	T134-A138 WeakPolarHBondContact O-CB 3.38Å; T134-A138 PolarHBondContact O-N 2.92Å; A138-Q142 WeakPolarHBondContact O-CB 3.28Å; A138-Q142 PolarHBondContact O-N 3.48Å; A138-Q142 VanDerWaalsContact O-N 3.08Å
139	K	68.3	Low	69.3	Low	128 Å²	128	84.8 Å²	84.8	56%	0.557	44%	0.437	S	S	*	.	H	α-helix	trans	-66.7	-42.8	174.6	-73.4	170.4	-174.6	170.8	0	112.8	D135 K137 I141 Q142 E143	D135-K139 WeakPolarHBondContact O-CB 3.37Å; D135-K139 VanDerWaalsContact O-CG 3.27Å; D135-K139 WeakPolarHBondContact O-CG 3.25Å; D135-K139 PolarHBondContact O-N 2.71Å; K137-K139 VanDerWaalsContact C-N 3.3Å; K137-K139 PolarHBondContact O-N 2.97Å; K139-I141 PolarHBondContact O-N 2.8Å; K139-Q142 CarbonylContact O-C 3.41Å; K139-Q142 PolarHBondContact O-N 2.94Å; K139-Q142 VanDerWaalsContact O-N 3.17Å; K139-E143 WeakPolarHBondContact O-CG 3.25Å; K139-E143 PolarHBondContact O-N 2.79Å
140	A	67.1	Low	67.7	Low	42 Å²	42	93.8 Å²	93.8	35%	0.347	47%	0.469	S	S	.	.	H	α-helix	trans	-61.9	-42.6	177	0	0	0	0	0	112.1	T136 K137 Q142 E143 D144	T136-A140 WeakPolarHBondContact O-CB 3.47Å; T136-A140 PolarHBondContact O-N 3.37Å; K137-A140 PolarHBondContact O-N 3.02Å; A140-Q142 VanDerWaalsContact C-N 3.28Å; A140-Q142 PolarHBondContact O-N 3.18Å; A140-E143 PolarHBondContact O-N 3.09Å; A140-D144 WeakPolarHBondContact O-CB 3.47Å; A140-D144 PolarHBondContact O-N 3.15Å
141	I	64.5	Low	66	Low	103 Å²	103	102.9 Å²	102.9	53%	0.528	50%	0.503	S	S	.	.	H	α-helix	trans	-64.7	-35.5	175.7	-65.6	163.8	0	0	0	111	K137 K139 K145	K137-I141 WeakPolarHBondContact O-CB 3.27Å; K137-I141 WeakPolarHBondContact O-CD1 3.46Å; K137-I141 VanDerWaalsContact O-CG1 3.23Å; K137-I141 WeakPolarHBondContact O-CG1 3.27Å; K137-I141 PolarHBondContact O-N 2.72Å; K139-I141 PolarHBondContact O-N 2.8Å; I141-K145 PolarHBondContact O-N 3.31Å; I141-K145 VanDerWaalsContact O-N 3.11Å
142	Q	61.4	Low	64.2	Low	115 Å²	115	109 Å²	109	54%	0.537	52%	0.523	S	S	.	.	H	α-helix	trans	-74.1	-33.4	177.5	-153.7	178.1	25.6	0	0	112.5	A138 K139 A140 K146	A138-Q142 WeakPolarHBondContact O-CB 3.28Å; A138-Q142 PolarHBondContact O-N 3.48Å; A138-Q142 VanDerWaalsContact O-N 3.08Å; K139-Q142 CarbonylContact O-C 3.41Å; K139-Q142 PolarHBondContact O-N 2.94Å; K139-Q142 VanDerWaalsContact O-N 3.17Å; A140-Q142 VanDerWaalsContact C-N 3.28Å; A140-Q142 PolarHBondContact O-N 3.18Å; Q142-K146 WeakPolarHBondContact O-CB 3.44Å; Q142-K146 WeakPolarHBondContact O-CG 3.19Å; Q142-K146 PolarHBondContact O-N 3.44Å
143	E	60.3	Low	62.5	Low	136 Å²	136	108.2 Å²	108.2	64%	0.636	53%	0.533	S	S	*	.	H	α-helix	trans	-71.4	-42	172.6	-76.7	-175.2	164	0	0	111.9	K139 A140 K145 K146 E147	K139-E143 WeakPolarHBondContact O-CG 3.25Å; K139-E143 PolarHBondContact O-N 2.79Å; A140-E143 PolarHBondContact O-N 3.09Å; E143-K145 VanDerWaalsContact C-N 3.31Å; E143-K145 PolarHBondContact O-N 3.43Å; E143-K146 CarbonylContact O-C 3.36Å; E143-K146 PolarHBondContact O-N 2.8Å; E143-K146 VanDerWaalsContact O-N 3.14Å; E143-E147 WeakPolarHBondContact O-CB 3.34Å; E143-E147 PolarHBondContact O-N 2.94Å
144	D	59.4	Low	60.4	Low	109 Å²	109	118 Å²	118	58%	0.583	57%	0.568	S	S	*	*	H	α-helix	trans	-61.6	-39.2	174.1	-86	-13.3	0	0	0	111.6	A140 E147 A148	A140-D144 WeakPolarHBondContact O-CB 3.47Å; A140-D144 PolarHBondContact O-N 3.15Å; D144-E147 PolarHBondContact O-N 3.16Å; D144-A148 VanDerWaalsContact O-CB 3.23Å; D144-A148 WeakPolarHBondContact O-CB 3.33Å; D144-A148 PolarHBondContact O-N 3.17Å
145	K	58.8	Low	58.2	Low	146 Å²	146	122.9 Å²	122.9	64%	0.635	60%	0.598	S	S	*	*	H	α-helix	trans	-63.6	-45.7	171.2	-90.6	-175.5	172.9	179.1	0	112.3	I141 E143 E147 A148 E149	I141-K145 PolarHBondContact O-N 3.31Å; I141-K145 VanDerWaalsContact O-N 3.11Å; E143-K145 VanDerWaalsContact C-N 3.31Å; E143-K145 PolarHBondContact O-N 3.43Å; K145-E147 VanDerWaalsContact C-N 3.35Å; K145-E147 PolarHBondContact O-N 3.47Å; K145-A148 PolarHBondContact O-N 2.82Å; K145-E149 WeakPolarHBondContact O-CG 3.41Å; K145-E149 PolarHBondContact O-N 3.26Å
146	K	57.9	Low	56.5	Low	113 Å²	113	126.2 Å²	126.2	49%	0.491	61%	0.607	S	S	.	*	H	α-helix	trans	-67.7	-31.9	177.9	-79.6	177.9	178.4	174.3	0	112.8	Q142 E143 R150	Q142-K146 WeakPolarHBondContact O-CB 3.44Å; Q142-K146 WeakPolarHBondContact O-CG 3.19Å; Q142-K146 PolarHBondContact O-N 3.44Å; E143-K146 CarbonylContact O-C 3.36Å; E143-K146 PolarHBondContact O-N 2.8Å; E143-K146 VanDerWaalsContact O-N 3.14Å; K146-R150 WeakPolarHBondContact O-CB 3.4Å; K146-R150 VanDerWaalsContact O-CG 3.26Å; K146-R150 WeakPolarHBondContact O-CG 3.28Å; K146-R150 PolarHBondContact O-N 2.98Å
147	E	53.7	Low	54.3	Low	93 Å²	93	129.1 Å²	129.1	44%	0.435	63%	0.625	S	S	.	*	H	α-helix	trans	-75.8	-38.6	176.4	-163.9	178.7	152.5	0	0	111.2	E143 D144 K145 E149 R150 R151	E143-E147 WeakPolarHBondContact O-CB 3.34Å; E143-E147 PolarHBondContact O-N 2.94Å; D144-E147 PolarHBondContact O-N 3.16Å; K145-E147 VanDerWaalsContact C-N 3.35Å; K145-E147 PolarHBondContact O-N 3.47Å; E147-E149 VanDerWaalsContact C-N 3.32Å; E147-E149 PolarHBondContact O-N 2.94Å; E147-R150 PolarHBondContact O-N 3.48Å; E147-R151 WeakPolarHBondContact O-CG 3.41Å; E147-R151 PolarHBondContact O-N 3.38Å; E147-R151 IonicContact OE1-CZ 2.99Å; E147-R151 IonicContact OE1-NE 2.92Å; E147-R151 IonicContact OE1-NH2 3.74Å; E147-R151 PolarHBondContact OE1-NH2 3.31Å
148	A	52.2	Low	52.1	Low	60 Å²	60	129.5 Å²	129.5	50%	0.496	65%	0.646	S	S	.	*	H	α-helix	trans	-61.7	-37.9	171	0	0	0	0	0	112.4	D144 K145	D144-A148 VanDerWaalsContact O-CB 3.23Å; D144-A148 WeakPolarHBondContact O-CB 3.33Å; D144-A148 PolarHBondContact O-N 3.17Å; K145-A148 PolarHBondContact O-N 2.82Å
149	E	52.6	Low	50.1	Low	141 Å²	141	132.9 Å²	132.9	66%	0.659	67%	0.666	S	S	*	*	H	α-helix	trans	-69.8	-41	173	-76.4	176.3	170.2	0	0	112.5	K145 E147 R151 R152	K145-E149 WeakPolarHBondContact O-CG 3.41Å; K145-E149 PolarHBondContact O-N 3.26Å; E147-E149 VanDerWaalsContact C-N 3.32Å; E147-E149 PolarHBondContact O-N 2.94Å; E149-R151 VanDerWaalsContact C-N 3.29Å; E149-R151 PolarHBondContact O-N 2.89Å; E149-R152 PolarHBondContact O-N 3.15Å; E149-R152 VanDerWaalsContact O-N 3.13Å
150	R	52.8	Low	48.2	Very low	199 Å²	199	131 Å²	131	75%	0.751	67%	0.67	S	S	*	*	H	α-helix	trans	-65	-27.9	176.6	-79.6	173.6	176.1	173.6	-0.1	113.6	K146 E147 R152	K146-R150 WeakPolarHBondContact O-CB 3.4Å; K146-R150 VanDerWaalsContact O-CG 3.26Å; K146-R150 WeakPolarHBondContact O-CG 3.28Å; K146-R150 PolarHBondContact O-N 2.98Å; E147-R150 PolarHBondContact O-N 3.48Å; R150-R152 VanDerWaalsContact C-N 3.28Å; R150-R152 PolarHBondContact O-N 3.5Å
151	R	50.6	Low	46.3	Very low	196 Å²	196	137.9 Å²	137.9	74%	0.74	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-15.7	174.7	-72.8	-177.6	-171.1	-172.6	7.3	113.7	E147 E149	E147-R151 WeakPolarHBondContact O-CG 3.41Å; E147-R151 PolarHBondContact O-N 3.38Å; E147-R151 IonicContact OE1-CZ 2.99Å; E147-R151 IonicContact OE1-NE 2.92Å; E147-R151 IonicContact OE1-NH2 3.74Å; E147-R151 PolarHBondContact OE1-NH2 3.31Å; E149-R151 VanDerWaalsContact C-N 3.29Å; E149-R151 PolarHBondContact O-N 2.89Å
152	R	48.8	Very low	44.6	Very low	241 Å²	241	137.5 Å²	137.5	91%	0.909	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-4.8	177.3	-85	-173.9	174.4	-150.7	-0.9	115.1	E149 R150	E149-R152 PolarHBondContact O-N 3.15Å; E149-R152 VanDerWaalsContact O-N 3.13Å; R150-R152 VanDerWaalsContact C-N 3.28Å; R150-R152 PolarHBondContact O-N 3.5Å
153	G	47.6	Very low	43	Very low	59 Å²	59	136.5 Å²	136.5	61%	0.608	70%	0.704	S	S	*	*	S	Bend	trans	-151.9	79.5	-176.8	0	0	0	0	0	114.3
154	R	38.4	Very low	41.7	Very low	232 Å²	232	135.6 Å²	135.6	88%	0.875	71%	0.708	S	S	*	*			trans	-160.7	98.2	153.6	-146.4	163.3	178.2	157.7	-1.5	113.8
155	V	35.5	Very low	40.5	Very low	145 Å²	145	139.7 Å²	139.7	88%	0.879	72%	0.715	S	S	*	*			trans	-90.9	146.5	151.1	171.2	0	0	0	0	108.1
156	K	37.7	Very low	39.5	Very low	190 Å²	190	139.7 Å²	139.7	83%	0.826	72%	0.722	S	S	*	*			trans	-60.2	144.8	-165.6	-68.4	171	172.3	175.5	0	115.7
157	T	29.2	Very low	38.4	Very low	144 Å²	144	144.7 Å²	144.7	88%	0.883	74%	0.737	S	S	*	*				-173.7	155.9	123.4	24.4	0	0	0	0	110.3
158	G	28.2	Very low	37.1	Very low	71 Å²	71	143.6 Å²	143.6	73%	0.732	75%	0.751	S	S	*	*			trans	-102.8	-179.6	-153.3	0	0	0	0	0	117.8
159	S	27.2	Very low	36.1	Very low	127 Å²	127	146.4 Å²	146.4	89%	0.888	77%	0.767	S	S	*	*			trans	67.4	152.7	166.1	147.1	0	0	0	0	116.1
160	S	28.2	Very low	34.9	Very low	89 Å²	89	145.5 Å²	145.5	62%	0.622	77%	0.772	S	S	*	*			cis	-178.6	165.6	-19.7	-178.1	0	0	0	0	104.9
161	F	27.2	Very low	33.6	Very low	186 Å²	186	141.9 Å²	141.9	82%	0.816	77%	0.771	S	S	*	*			trans	76.1	108.1	172.5	-81.8	-96.7	0	0	0	117.4
162	S	28	Very low	32.7	Very low	96 Å²	96	138.7 Å²	138.7	67%	0.671	77%	0.768	S	S	*	*				77.7	148.5	86.2	82	0	0	0	0	112.7
163	S	29.1	Very low	31.7	Very low	93 Å²	93	137.9 Å²	137.9	65%	0.65	77%	0.767	S	S	*	*			cis	-175.9	152.5	-20.7	62.8	0	0	0	0	103.8
164	T	32.6	Very low	30.9	Very low	118 Å²	118	142.6 Å²	142.6	72%	0.724	77%	0.773	S	S	*	*			trans	62.8	130.6	156	18.3	0	0	0	0	118.2
165	R	34.5	Very low	30.6	Very low	194 Å²	194	139.7 Å²	139.7	73%	0.732	77%	0.773	S	S	*	*				168.3	146.6	65.2	-120.9	168.6	-154.1	-132.7	6	104.3
166	L	36.9	Very low	30.5	Very low	147 Å²	147	138.2 Å²	138.2	77%	0.77	77%	0.769	S	S	*	*			cis	-151	136.3	41.9	-81.4	117.8	0	0	0	108.4
167	R	35.6	Very low	30	Very low	217 Å²	217	132.4 Å²	132.4	82%	0.819	76%	0.763	S	S	*	*				57.4	121.9	82.2	-82.6	-175.1	173.4	-177.8	-3	113.5
168	G	26.7	Very low	30	Very low	70 Å²	70	134.1 Å²	134.1	72%	0.722	76%	0.761	S	S	*	*			cis	-167.8	-178	14.1	0	0	0	0	0	116.7
169	S	30.3	Very low	30	Very low	120 Å²	120	137.9 Å²	137.9	84%	0.839	76%	0.763	S	S	*	*			trans	55.7	119.3	161.8	-60.4	0	0	0	0	118
170	T	28	Very low	30.1	Very low	122 Å²	122	140.8 Å²	140.8	75%	0.748	76%	0.762	S	S	*	*				-158.2	116.5	50.5	-65	0	0	0	0	111.4
171	V	26.2	Very low	30	Very low	123 Å²	123	141.4 Å²	141.4	75%	0.745	77%	0.767	S	S	*	*			trans	45.5	123.1	132	-173.5	0	0	0	0	117.8
172	L	30	Very low	29.9	Very low	128 Å²	128	142.4 Å²	142.4	67%	0.67	77%	0.765	S	S	*	*			cis	-164.3	111.3	4.6	-119.7	171.7	0	0	0	107.3	H174	L172-H174 VanDerWaalsContact CD2-CD2 3.46Å; L172-H174 WeakPolarHBondContact CD2-CD2 3.34Å; L172-H174 PolarHBondContact O-N 2.84Å
173	Y	29.6	Very low	29.8	Very low	224 Å²	224	145.1 Å²	145.1	88%	0.878	77%	0.767	S	S	*	*			trans	-83.8	96.4	161.8	-89	-97.5	0	0	0	108
174	H	29.1	Very low	30	Very low	158 Å²	158	150.1 Å²	150.1	73%	0.731	78%	0.777	S	S	*	*			trans	-105.6	140.2	151.4	-91.1	-73.3	0	0	0	107	L172	L172-H174 VanDerWaalsContact CD2-CD2 3.46Å; L172-H174 WeakPolarHBondContact CD2-CD2 3.34Å; L172-H174 PolarHBondContact O-N 2.84Å
175	I	32.6	Very low	29.9	Very low	171 Å²	171	149.8 Å²	149.8	88%	0.877	78%	0.78	S	S	*	*			trans	94.9	45.5	-174.1	-40.8	154.6	0	0	0	113.9
176	S	34.1	Very low	29.6	Very low	114 Å²	114	150 Å²	150	80%	0.797	79%	0.786	S	S	*	*			trans	-127	100	145.5	-90.1	0	0	0	0	108.2
177	G	26.3	Very low	29.4	Very low	69 Å²	69	150.8 Å²	150.8	71%	0.711	79%	0.789	S	S	*	*			trans	174.3	64	-177.6	0	0	0	0	0	113.7
178	H	29.8	Very low	29.1	Very low	179 Å²	179	149.7 Å²	149.7	83%	0.829	79%	0.791	S	S	*	*	S	Bend	trans	174.9	114.2	153	-105	-77.2	0	0	0	104.7
179	L	28.9	Very low	29.8	Very low	150 Å²	150	153.2 Å²	153.2	79%	0.785	79%	0.792	S	S	*	*			cis	-162.3	137.4	24.3	-116.6	134.5	0	0	0	106.2
180	H	28.6	Very low	29.8	Very low	188 Å²	188	153.5 Å²	153.5	87%	0.87	78%	0.784	S	S	*	*			trans	-88.2	138.7	167.6	-140.6	-50.7	0	0	0	108.9
181	S	26.6	Very low	30.2	Very low	103 Å²	103	156.8 Å²	156.8	72%	0.72	79%	0.788	S	S	*	*			trans	88.8	107.9	165.2	-157.3	0	0	0	0	117.3
182	R	24.7	Very low	30.8	Very low	207 Å²	207	155.2 Å²	155.2	78%	0.781	78%	0.775	S	S	*	*				165.2	126.3	98.8	-167.6	169	174.4	167	2.1	112.2
183	E	25	Very low	31.7	Very low	153 Å²	153	152 Å²	152	72%	0.715	76%	0.761	S	S	*	*			trans	69.4	117.5	156.6	-76.9	169.5	132.7	0	0	123.1
184	K	35.2	Very low	32.7	Very low	197 Å²	197	142.9 Å²	142.9	86%	0.857	73%	0.725	S	S	*	*			trans	16.6	117.3	143	-63.8	177.3	179.2	176.3	0	118.1
185	S	28.8	Very low	33.1	Very low	112 Å²	112	138.1 Å²	138.1	78%	0.783	72%	0.719	S	S	*	*				145.6	134.3	129.8	60	0	0	0	0	112.3
186	K	29.6	Very low	33.3	Very low	197 Å²	197	137.1 Å²	137.1	86%	0.857	72%	0.716	S	S	*	*			trans	48.7	102.6	164.5	-65.9	-179.3	177.9	-178.7	0	116.2	K188	K186-K188 PolarHBondContact O-N 3.44Å
187	I	31.8	Very low	33.5	Very low	164 Å²	164	137.6 Å²	137.6	84%	0.841	72%	0.716	S	S	*	*			trans	-53.7	104.4	162.9	-64.9	168	0	0	0	108	I189	I187-I189 PolarHBondContact O-N 3.21Å; I187-I189 VanDerWaalsContact O-N 3.13Å
188	K	29.6	Very low	34.4	Very low	194 Å²	194	138.3 Å²	138.3	84%	0.843	71%	0.708	S	S	*	*			trans	-68	103.3	169.3	-84.2	178.6	174.4	177.3	0	107.8	K186 N190	K186-K188 PolarHBondContact O-N 3.44Å; K188-N190 PolarHBondContact O-N 3.37Å
189	I	40.7	Very low	35.5	Very low	145 Å²	145	134.4 Å²	134.4	74%	0.744	71%	0.707	S	S	*	*			trans	-67.9	75.4	160.1	-57.7	165.8	0	0	0	106.5	I187	I187-I189 PolarHBondContact O-N 3.21Å; I187-I189 VanDerWaalsContact O-N 3.13Å
190	N	30.2	Very low	36.9	Very low	126 Å²	126	130.3 Å²	130.3	67%	0.674	69%	0.685	S	S	*	*			trans	-144.1	54.5	171.9	-144.3	-8	0	0	0	110.1	K188	K188-N190 PolarHBondContact O-N 3.37Å
191	K	37	Very low	38.4	Very low	191 Å²	191	122.8 Å²	122.8	83%	0.83	65%	0.654	S	S	*	*			trans	-119.4	94.1	153.8	-124.8	178.3	179.4	176.9	0	105.3	V193	K191-V193 PolarHBondContact O-N 3.42Å
192	N	39.3	Very low	40.1	Very low	89 Å²	89	123 Å²	123	48%	0.476	64%	0.643	S	S	.	*			trans	-56	136.8	171.4	-73.5	-15.4	0	0	0	108.2	F194	N192-F194 CarbonylContact C-O 3.56Å; N192-F194 WeakPolarHBondContact CB-O 3.47Å; N192-F194 CarbonylContact O-C 3.54Å; N192-F194 PolarHBondContact O-N 2.89Å
193	V	48.1	Very low	41.8	Very low	62 Å²	62	117.4 Å²	117.4	38%	0.376	62%	0.623	S	S	.	*	S	Bend	trans	-61.1	-29.4	173.7	169.4	0	0	0	0	109.3	L110 K191	L110-V193 HydrophobicContact CD2-CG2 3.99Å; K191-V193 PolarHBondContact O-N 3.42Å
194	F	50.1	Low	43.6	Very low	31 Å²	31	114.1 Å²	114.1	14%	0.136	61%	0.606	C	S	.	*	S	Bend	trans	-81	111.8	158.3	-54.2	-82.1	0	0	0	109	F22 D112 V114 L127 N192	F22-F194 HydrophobicContact CE1-CE1 4.28Å; F22-F194 HydrophobicContact CE2-CE1 4.1Å; F22-F194 HydrophobicContact CZ-CD1 4.42Å; F22-F194 AromaticContact CZ-CE1 3.45Å; F22-F194 HydrophobicContact CZ-CE1 3.45Å; F22-F194 VanDerWaalsContact CZ-CE1 3.45Å; F22-F194 AromaticContact CZ-CZ 3.89Å; F22-F194 HydrophobicContact CZ-CZ 3.89Å; D112-F194 WeakPolarHBondContact OD2-CE2 3.09Å; V114-F194 HydrophobicContact CG2-CE2 3.88Å; V114-F194 HydrophobicContact CG2-CZ 4.26Å; L127-F194 HydrophobicContact CD2-CE1 4.42Å; L127-F194 HydrophobicContact CD2-CZ 4.26Å; N192-F194 CarbonylContact C-O 3.56Å; N192-F194 WeakPolarHBondContact CB-O 3.47Å; N192-F194 CarbonylContact O-C 3.54Å; N192-F194 PolarHBondContact O-N 2.89Å
195	G	37.9	Very low	44.5	Very low	58 Å²	58	108.6 Å²	108.6	60%	0.598	59%	0.588	S	S	*	*			trans	-49.9	161.8	170.4	0	0	0	0	0	112.8
196	D	36.2	Very low	45.6	Very low	150 Å²	150	104.5 Å²	104.5	80%	0.802	56%	0.562	S	S	*	*	S	Bend	trans	-22.6	134.8	-179.5	-66.5	-36.2	0	0	0	113.7	P198	D196-P198 WeakPolarHBondContact O-CD 3.43Å
197	P	39.6	Very low	46.7	Very low	124 Å²	124	99.5 Å²	99.5	81%	0.805	54%	0.544	S	S	*	.			trans	-70.5	110.6	-157.1	29.6	-34.8	0	0	0	113.6
198	P	45.9	Very low	47.7	Very low	84 Å²	84	93.9 Å²	93.9	55%	0.545	52%	0.522	S	S	.	.			trans	-87.2	141.5	137.2	35.6	-33.9	0	0	0	107.9	D196 L200	D196-P198 WeakPolarHBondContact O-CD 3.43Å; P198-L200 PolarHBondContact O-N 3.02Å
199	A	51.6	Low	48.8	Very low	98 Å²	98	93.7 Å²	93.7	81%	0.81	52%	0.521	S	S	*	.			trans	-41.3	131.9	-179.1	0	0	0	0	0	112.4
200	L	58.5	Low	49.4	Very low	63 Å²	63	93.4 Å²	93.4	33%	0.33	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-48.3	136.8	172.3	-70.5	161.3	0	0	0	109.4	V114 P198 E202	V114-L200 HydrophobicContact CG1-CD1 3.42Å; V114-L200 VanDerWaalsContact CG1-CD1 3.42Å; V114-L200 HydrophobicContact CG1-CD2 3.7Å; V114-L200 HydrophobicContact CG1-CG 4.2Å; P198-L200 PolarHBondContact O-N 3.02Å; L200-E202 PolarHBondContact O-N 3.12Å; L200-E202 VanDerWaalsContact O-N 3.12Å
201	P	60	Low	50.7	Low	31 Å²	31	89.9 Å²	89.9	20%	0.201	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-61.2	121.2	176.5	25.4	-31.3	0	0	0	108.4	F14 T17 I18	F14-P201 HydrophobicContact CD2-CB 4.24Å; F14-P201 HydrophobicContact CE2-CB 4.09Å; F14-P201 HydrophobicContact CE2-CG 4.13Å; F14-P201 WeakPolarHBondContact CE2-O 3.2Å; T17-P201 HydrophobicContact CG2-CB 4.49Å; I18-P201 HydrophobicContact CG1-CG 4.26Å
202	E	62	Low	51.8	Low	107 Å²	107	90.5 Å²	90.5	50%	0.5	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-74.5	144.8	172.2	-70.5	176.7	174.8	0	0	109.3	K117 L200 K204	K117-E202 WeakPolarHBondContact O-CA 3.25Å; K117-E202 WeakPolarHBondContact O-CB 3.02Å; L200-E202 PolarHBondContact O-N 3.12Å; L200-E202 VanDerWaalsContact O-N 3.12Å; E202-K204 PolarHBondContact O-N 2.88Å
203	Y	61.2	Low	53.1	Low	90 Å²	90	92.5 Å²	92.5	35%	0.353	51%	0.507	S	S	.	.			trans	-73.8	86.5	172.4	-177.7	-99.7	0	0	0	108.3	F14 K117 N118 V124 L125	F14-Y203 HydrophobicContact CB-CD2 4.49Å; F14-Y203 AromaticContact CD1-CD2 3.94Å; F14-Y203 HydrophobicContact CD1-CD2 3.94Å; F14-Y203 HydrophobicContact CE1-CD2 4.31Å; F14-Y203 HydrophobicContact CG-CD2 4.06Å; K117-Y203 PolarHBondContact O-N 3.38Å; K117-Y203 VanDerWaalsContact O-N 3.12Å; N118-Y203 PolarHBondContact OD1-O 2.89Å; V124-Y203 HydrophobicContact CG2-CD1 4.06Å; V124-Y203 HydrophobicContact CG2-CG 4.13Å; L125-Y203 HydrophobicContact CD1-CD2 3.35Å; L125-Y203 HydrophobicContact CD1-CE2 3.78Å; L125-Y203 HydrophobicContact CD1-CG 3.78Å
204	K	63.3	Low	54.2	Low	84 Å²	84	91 Å²	91	37%	0.365	50%	0.497	S	S	.	.			trans	-127.3	136.9	-173.6	174.3	173.3	173.7	123.6	0	109.5	E119 E202 A206	E119-K204 HydrophobicContact CG-CB 4.28Å; E119-K204 HydrophobicContact CG-CD 4.04Å; E119-K204 HydrophobicContact CG-CG 3.95Å; E119-K204 WeakPolarHBondContact OE1-CD 3.41Å; E119-K204 WeakPolarHBondContact OE1-CE 3.3Å; E119-K204 VanDerWaalsContact OE1-CG 3.23Å; E119-K204 WeakPolarHBondContact OE1-CG 3.49Å; E119-K204 IonicContact OE1-NZ 2.83Å; E119-K204 PolarHBondContact OE1-NZ 3.47Å; E202-K204 PolarHBondContact O-N 2.88Å; K204-A206 HydrophobicContact CD-CB 4.41Å; K204-A206 HydrophobicContact CG-CB 4.17Å; K204-A206 PolarHBondContact O-N 2.73Å
205	V	54.1	Low	55.4	Low	80 Å²	80	90.9 Å²	90.9	49%	0.485	50%	0.498	S	S	.	.			trans	-71.2	80.6	161.4	-159	0	0	0	0	106.6	P10 N12 D207	P10-V205 HydrophobicContact CB-CG1 3.65Å; P10-V205 HydrophobicContact CG-CG1 4.14Å; P10-V205 VanDerWaalsContact O-CG1 3.31Å; P10-V205 WeakPolarHBondContact O-CG1 3.35Å; N12-V205 WeakPolarHBondContact OD1-CA 3.29Å; N12-V205 WeakPolarHBondContact OD1-CB 3.5Å; N12-V205 VanDerWaalsContact OD1-CG2 3.29Å; N12-V205 WeakPolarHBondContact OD1-CG2 3.34Å; V205-D207 PolarHBondContact O-N 2.77Å
206	A	51.1	Low	57.2	Low	27 Å²	27	89.8 Å²	89.8	22%	0.223	48%	0.478	C	S	.	.			trans	-78.1	113	-173.5	0	0	0	0	0	108.3	K204 A208	K204-A206 HydrophobicContact CD-CB 4.41Å; K204-A206 HydrophobicContact CG-CB 4.17Å; K204-A206 PolarHBondContact O-N 2.73Å; A206-A208 PolarHBondContact O-N 3.28Å; A206-A208 VanDerWaalsContact O-N 3.09Å
207	D	52	Low	59.1	Low	92 Å²	92	83.5 Å²	83.5	49%	0.492	44%	0.443	S	S	.	.			trans	-44.9	121.7	151.8	-99.5	8.6	0	0	0	107.1	V205 K209 K210	V205-D207 PolarHBondContact O-N 2.77Å; D207-K209 PolarHBondContact O-N 3.1Å; D207-K210 IonicContact OD2-NZ 3.43Å; D207-K210 PolarHBondContact OD2-NZ 3.28Å
208	A	53.9	Low	60.9	Low	45 Å²	45	81.7 Å²	81.7	37%	0.372	42%	0.421	S	S	.	.			trans	-40.5	119.7	-176	0	0	0	0	0	109.8	A206 K210 F291	A206-A208 PolarHBondContact O-N 3.28Å; A206-A208 VanDerWaalsContact O-N 3.09Å; A208-K210 WeakPolarHBondContact O-CG 3.36Å; A208-K210 PolarHBondContact O-N 3.5Å; A208-F291 HydrophobicContact CB-CD2 3.96Å; A208-F291 HydrophobicContact CB-CE1 4.33Å; A208-F291 HydrophobicContact CB-CE2 3.45Å; A208-F291 VanDerWaalsContact CB-CE2 3.45Å; A208-F291 HydrophobicContact CB-CZ 3.66Å
209	K	53.1	Low	62.6	Low	190 Å²	190	79.2 Å²	79.2	83%	0.826	41%	0.406	S	S	*	.			trans	-43.7	100.4	-168.1	-81.2	-179.1	179.8	174.4	0	110.3	D207 S211	D207-K209 PolarHBondContact O-N 3.1Å; K209-S211 PolarHBondContact O-N 2.9Å
210	K	52.7	Low	64	Low	139 Å²	139	80.7 Å²	80.7	60%	0.604	41%	0.405	S	S	*	.			trans	-69.4	99.3	-177.9	-63.9	175.5	-171.5	159.6	0	106.9	D207 A208 K212	D207-K210 IonicContact OD2-NZ 3.43Å; D207-K210 PolarHBondContact OD2-NZ 3.28Å; A208-K210 WeakPolarHBondContact O-CG 3.36Å; A208-K210 PolarHBondContact O-N 3.5Å; K210-K212 PolarHBondContact O-N 2.77Å
211	S	57.1	Low	65.2	Low	52 Å²	52	83.6 Å²	83.6	36%	0.364	42%	0.415	S	S	.	.			trans	-59.9	132.7	167.5	-175.9	0	0	0	0	107.7	K209 F213 I214	K209-S211 PolarHBondContact O-N 2.9Å; S211-F213 PolarHBondContact O-N 2.97Å; S211-I214 VanDerWaalsContact CB-CD1 3.49Å; S211-I214 PolarHBondContact O-N 2.76Å
212	K	60.6	Low	66.2	Low	204 Å²	204	83.4 Å²	83.4	89%	0.887	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-10.7	-172.4	-69.2	-178.6	177.5	-179.5	0	115	K210	K210-K212 PolarHBondContact O-N 2.77Å
213	F	66.8	Low	67.1	Low	131 Å²	131	79.9 Å²	79.9	58%	0.575	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	25.8	-179	-62.1	-76.1	0	0	0	114	S211 F278	S211-F213 PolarHBondContact O-N 2.97Å; F213-F278 HydrophobicContact CD1-CE1 4.44Å; F213-F278 CarbonylContact O-C 3.24Å; F213-F278 VanDerWaalsContact O-C 3.24Å; F213-F278 WeakPolarHBondContact O-CA 3.4Å; F213-F278 VanDerWaalsContact O-O 3.14Å
214	I	70.7	Confident	68.3	Low	32 Å²	32	77.7 Å²	77.7	16%	0.164	41%	0.405	C	S	.	.			trans	-108.9	116.4	175.2	-66.2	175.3	0	0	0	109.7	S211 R279 T281 F291	S211-I214 VanDerWaalsContact CB-CD1 3.49Å; S211-I214 PolarHBondContact O-N 2.76Å; I214-R279 HydrophobicContact CG1-CB 3.96Å; I214-R279 WeakPolarHBondContact CG2-O 3.49Å; I214-T281 HydrophobicContact CG2-CG2 3.45Å; I214-T281 VanDerWaalsContact CG2-CG2 3.45Å; I214-F291 HydrophobicContact CD1-CB 4.28Å; I214-F291 WeakPolarHBondContact CD1-O 3.39Å; I214-F291 HydrophobicContact CG2-CD1 4.35Å
215	L	74.9	Confident	69.3	Low	28 Å²	28	75.5 Å²	75.5	15%	0.147	39%	0.394	C	S	.	.			trans	-87.6	130.2	172.9	-170	68.6	0	0	0	110.4	F221 K222 F278 T280 T281	L215-F221 HydrophobicContact CD1-CD1 3.98Å; L215-F221 HydrophobicContact CD2-CD1 4.08Å; L215-F221 HydrophobicContact CD2-CE1 4.41Å; L215-K222 HydrophobicContact CD2-CB 3.94Å; L215-K222 HydrophobicContact CD2-CD 3.93Å; L215-K222 HydrophobicContact CD2-CG 4.36Å; L215-K222 HydrophobicContact CG-CB 4.33Å; L215-F278 HydrophobicContact CB-CB 4.42Å; L215-F278 PolarHBondContact N-O 2.94Å; L215-T280 WeakPolarHBondContact O-CA 3.35Å; L215-T281 PolarHBondContact O-N 2.98Å; L215-T281 VanDerWaalsContact O-N 3.11Å
216	L	75.8	Confident	70.6	Confident	34 Å²	34	72 Å²	72	18%	0.178	37%	0.373	C	S	.	.			trans	-74	135.7	175.2	-116.2	51.3	0	0	0	111	Y218 S219 T281 F291	L216-Y218 HydrophobicContact CB-CD1 4.41Å; L216-Y218 HydrophobicContact CB-CE1 4.26Å; L216-Y218 HydrophobicContact CD2-CD1 4.34Å; L216-Y218 HydrophobicContact CD2-CE1 3.47Å; L216-Y218 VanDerWaalsContact CD2-CE1 3.47Å; L216-Y218 HydrophobicContact CD2-CE2 3.78Å; L216-Y218 WeakPolarHBondContact CD2-OH 3.37Å; L216-Y218 HydrophobicContact CG-CD1 4.08Å; L216-Y218 HydrophobicContact CG-CE1 3.5Å; L216-Y218 PolarHBondContact O-N 2.94Å; L216-S219 VanDerWaalsContact O-CB 3.22Å; L216-S219 WeakPolarHBondContact O-CB 3.5Å; L216-S219 PolarHBondContact O-N 3.15Å; L216-T281 HydrophobicContact CD1-CG2 4.03Å; L216-F291 HydrophobicContact CD1-CE1 3.88Å
217	H	77.5	Confident	72.3	Confident	18 Å²	18	77.1 Å²	77.1	8%	0.083	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.4	-178.3	64	-85.7	0	0	0	113.7	K5 T280 T281 R349	K5-H217 PolarHBondContact O-CE1 2.97Å; H217-T280 HydrophobicContact CB-CG2 4.17Å; H217-T281 WeakPolarHBondContact CB-O 3.36Å; H217-T281 PolarHBondContact N-OG1 3.46Å; H217-T281 VanDerWaalsContact N-OG1 3.14Å; H217-T281 PolarHBondContact ND1-OG1 2.86Å; H217-T281 VanDerWaalsContact ND1-OG1 3.15Å; H217-R349 PolarHBondContact O-NH2 2.98Å
218	Y	76.3	Confident	73.9	Confident	86 Å²	86	76.3 Å²	76.3	34%	0.337	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	8.2	176.5	65.4	-93.3	0	0	0	114	K5 L8 L216	K5-Y218 HydrophobicContact CG-CG 4.42Å; L8-Y218 HydrophobicContact CD1-CD1 4.48Å; L8-Y218 HydrophobicContact CD1-CE1 3.5Å; L8-Y218 VanDerWaalsContact CD1-CE1 3.5Å; L8-Y218 HydrophobicContact CD2-CE1 4.39Å; L8-Y218 WeakPolarHBondContact CD2-OH 3.47Å; L216-Y218 HydrophobicContact CB-CD1 4.41Å; L216-Y218 HydrophobicContact CB-CE1 4.26Å; L216-Y218 HydrophobicContact CD2-CD1 4.34Å; L216-Y218 HydrophobicContact CD2-CE1 3.47Å; L216-Y218 VanDerWaalsContact CD2-CE1 3.47Å; L216-Y218 HydrophobicContact CD2-CE2 3.78Å; L216-Y218 WeakPolarHBondContact CD2-OH 3.37Å; L216-Y218 HydrophobicContact CG-CD1 4.08Å; L216-Y218 HydrophobicContact CG-CE1 3.5Å; L216-Y218 PolarHBondContact O-N 2.94Å
219	S	81.4	Confident	75.4	Confident	32 Å²	32	74.6 Å²	74.6	22%	0.224	37%	0.366	C	S	.	.			trans	-62.1	141.5	176.4	177.9	0	0	0	0	111.2	L216 F221 K222 A223	L216-S219 VanDerWaalsContact O-CB 3.22Å; L216-S219 WeakPolarHBondContact O-CB 3.5Å; L216-S219 PolarHBondContact O-N 3.15Å; S219-F221 VanDerWaalsContact C-N 3.26Å; S219-F221 PolarHBondContact O-N 3.12Å; S219-F221 PolarHBondContact OG-N 3.34Å; S219-K222 WeakPolarHBondContact O-CB 3.22Å; S219-K222 PolarHBondContact O-N 3.2Å; S219-A223 PolarHBondContact O-N 2.9Å
220	T	80.6	Confident	76.9	Confident	129 Å²	129	67 Å²	67	79%	0.791	33%	0.334	S	S	*	.	H	α-helix	trans	-59	-38	174.3	50.1	0	0	0	0	111.7	K222 A223 G224	T220-K222 PolarHBondContact O-N 2.76Å; T220-A223 PolarHBondContact O-N 2.89Å; T220-G224 PolarHBondContact O-N 3.28Å
221	F	84.1	Confident	78.6	Confident	124 Å²	124	66 Å²	66	54%	0.544	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-43.5	172.9	178.1	-98.3	0	0	0	111.7	L215 S219 A223 G224 W225	L215-F221 HydrophobicContact CD1-CD1 3.98Å; L215-F221 HydrophobicContact CD2-CD1 4.08Å; L215-F221 HydrophobicContact CD2-CE1 4.41Å; S219-F221 VanDerWaalsContact C-N 3.26Å; S219-F221 PolarHBondContact O-N 3.12Å; S219-F221 PolarHBondContact OG-N 3.34Å; F221-A223 VanDerWaalsContact C-N 3.32Å; F221-A223 PolarHBondContact O-N 3.36Å; F221-G224 PolarHBondContact O-N 2.78Å; F221-W225 WeakPolarHBondContact O-CB 3.28Å; F221-W225 PolarHBondContact O-N 2.72Å
222	K	81.2	Confident	80	Confident	27 Å²	27	63.9 Å²	63.9	12%	0.117	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-39.3	176.4	-179.4	56.5	168.1	75.4	0	111.5	L215 S219 T220 W225 D226	L215-K222 HydrophobicContact CD2-CB 3.94Å; L215-K222 HydrophobicContact CD2-CD 3.93Å; L215-K222 HydrophobicContact CD2-CG 4.36Å; L215-K222 HydrophobicContact CG-CB 4.33Å; S219-K222 WeakPolarHBondContact O-CB 3.22Å; S219-K222 PolarHBondContact O-N 3.2Å; T220-K222 PolarHBondContact O-N 2.76Å; K222-W225 PolarHBondContact O-N 3.47Å; K222-D226 IonicContact NZ-OD1 3.71Å; K222-D226 PolarHBondContact NZ-OD1 3.44Å; K222-D226 IonicContact NZ-OD2 3.22Å; K222-D226 PolarHBondContact NZ-OD2 3.31Å; K222-D226 WeakPolarHBondContact O-CB 3.44Å; K222-D226 VanDerWaalsContact O-CG 3.22Å; K222-D226 PolarHBondContact O-N 2.94Å
223	A	81.8	Confident	81.3	Confident	34 Å²	34	54.3 Å²	54.3	28%	0.281	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-47.4	175.5	0	0	0	0	0	111.7	S219 T220 F221 W225 D226 W227	S219-A223 PolarHBondContact O-N 2.9Å; T220-A223 PolarHBondContact O-N 2.89Å; F221-A223 VanDerWaalsContact C-N 3.32Å; F221-A223 PolarHBondContact O-N 3.36Å; A223-W225 PolarHBondContact O-N 2.94Å; A223-D226 WeakPolarHBondContact O-CB 3.35Å; A223-D226 PolarHBondContact O-N 2.99Å; A223-W227 PolarHBondContact O-N 2.79Å; A223-W227 VanDerWaalsContact O-N 3.13Å
224	G	84.5	Confident	82.3	Confident	43 Å²	43	51.6 Å²	51.6	44%	0.443	27%	0.268	S	S	.	.	H	α-helix	trans	-61.1	-42.7	175.1	0	0	0	0	0	112.8	T220 F221 D226 W227 L228	T220-G224 PolarHBondContact O-N 3.28Å; F221-G224 PolarHBondContact O-N 2.78Å; G224-D226 VanDerWaalsContact C-N 3.3Å; G224-D226 PolarHBondContact O-N 3.11Å; G224-W227 PolarHBondContact O-N 3.32Å; G224-L228 PolarHBondContact O-N 3.44Å
225	W	84.4	Confident	83.2	Confident	38 Å²	38	53.8 Å²	53.8	14%	0.144	28%	0.275	C	S	.	.	H	α-helix	trans	-60.3	-40.2	173.6	-172.9	-99.6	0	0	0	111.9	F221 K222 A223 W227 L228 I229 L267 I270 A271 I274	F221-W225 WeakPolarHBondContact O-CB 3.28Å; F221-W225 PolarHBondContact O-N 2.72Å; K222-W225 PolarHBondContact O-N 3.47Å; A223-W225 PolarHBondContact O-N 2.94Å; W225-W227 VanDerWaalsContact C-N 3.33Å; W225-W227 PolarHBondContact O-N 2.73Å; W225-L228 HydrophobicContact CE3-CD2 4.05Å; W225-L228 HydrophobicContact CH2-CD2 4.49Å; W225-L228 HydrophobicContact CZ3-CD2 3.87Å; W225-L228 PolarHBondContact O-N 3.09Å; W225-I229 HydrophobicContact CZ2-CD1 3.99Å; W225-I229 HydrophobicContact CZ2-CG1 4.48Å; W225-I229 WeakPolarHBondContact O-CG1 3.37Å; W225-I229 PolarHBondContact O-N 3.11Å; W225-L267 HydrophobicContact CH2-CD1 3.71Å; W225-L267 HydrophobicContact CZ2-CD1 4.33Å; W225-L267 HydrophobicContact CZ3-CD1 4.36Å; W225-I270 HydrophobicContact CH2-CG2 3.76Å; W225-I270 HydrophobicContact CZ2-CG2 4.09Å; W225-A271 HydrophobicContact CZ2-CB 3.97Å; W225-I274 HydrophobicContact CD2-CD1 4.22Å; W225-I274 HydrophobicContact CE3-CD1 4.38Å; W225-I274 HydrophobicContact CH2-CD1 3.66Å; W225-I274 HydrophobicContact CZ2-CD1 3.45Å; W225-I274 VanDerWaalsContact CZ2-CD1 3.45Å; W225-I274 HydrophobicContact CZ3-CD1 4.12Å
226	D	82.5	Confident	83.8	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.032	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-36.5	178.3	-77.8	-34.6	0	0	0	113.4	K222 A223 G224 L230 K346 R349	K222-D226 IonicContact NZ-OD1 3.71Å; K222-D226 PolarHBondContact NZ-OD1 3.44Å; K222-D226 IonicContact NZ-OD2 3.22Å; K222-D226 PolarHBondContact NZ-OD2 3.31Å; K222-D226 WeakPolarHBondContact O-CB 3.44Å; K222-D226 VanDerWaalsContact O-CG 3.22Å; K222-D226 PolarHBondContact O-N 2.94Å; A223-D226 WeakPolarHBondContact O-CB 3.35Å; A223-D226 PolarHBondContact O-N 2.99Å; G224-D226 VanDerWaalsContact C-N 3.3Å; G224-D226 PolarHBondContact O-N 3.11Å; D226-L230 WeakPolarHBondContact O-CB 3.28Å; D226-L230 PolarHBondContact O-N 3.5Å; D226-K346 VanDerWaalsContact CA-NZ 3.31Å; D226-K346 HydrophobicContact CB-CD 4.26Å; D226-K346 PolarHBondContact O-NZ 3.03Å; D226-K346 VanDerWaalsContact O-NZ 3.07Å; D226-K346 WeakPolarHBondContact OD1-CE 3.42Å; D226-K346 IonicContact OD1-NZ 2.67Å; D226-K346 PolarHBondContact OD1-NZ 3.08Å; D226-R349 IonicContact OD2-CZ 3.15Å; D226-R349 IonicContact OD2-NH1 2.66Å; D226-R349 PolarHBondContact OD2-NH1 3.25Å; D226-R349 IonicContact OD2-NH2 3.54Å
227	W	85.8	Confident	84.4	Confident	135 Å²	135	51.1 Å²	51.1	51%	0.511	26%	0.261	S	S	.	.	H	α-helix	trans	-67.3	-41.7	172.2	-79	110.3	0	0	0	112.3	A223 G224 W225 I229 L230 L231 Y350 V356	A223-W227 PolarHBondContact O-N 2.79Å; A223-W227 VanDerWaalsContact O-N 3.13Å; G224-W227 PolarHBondContact O-N 3.32Å; W225-W227 VanDerWaalsContact C-N 3.33Å; W225-W227 PolarHBondContact O-N 2.73Å; W227-I229 VanDerWaalsContact C-N 3.34Å; W227-I229 PolarHBondContact O-N 3.33Å; W227-L230 HydrophobicContact CE3-CD2 3.71Å; W227-L230 HydrophobicContact CZ3-CD2 3.64Å; W227-L230 WeakPolarHBondContact O-CB 3.2Å; W227-L230 PolarHBondContact O-N 3.37Å; W227-L231 PolarHBondContact O-N 2.66Å; W227-Y350 HydrophobicContact CH2-CD1 4.49Å; W227-Y350 HydrophobicContact CH2-CE1 4.09Å; W227-Y350 HydrophobicContact CZ2-CD1 4.41Å; W227-Y350 AromaticContact CZ2-CE1 3.91Å; W227-Y350 HydrophobicContact CZ2-CE1 3.91Å; W227-V356 HydrophobicContact CH2-CG1 4.04Å
228	L	87.1	Confident	85	Confident	76 Å²	76	52.4 Å²	52.4	40%	0.398	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-43.8	175.4	-177.7	65.1	0	0	0	111.5	G224 W225 L231 A232 L267	G224-L228 PolarHBondContact O-N 3.44Å; W225-L228 HydrophobicContact CE3-CD2 4.05Å; W225-L228 HydrophobicContact CH2-CD2 4.49Å; W225-L228 HydrophobicContact CZ3-CD2 3.87Å; W225-L228 PolarHBondContact O-N 3.09Å; L228-L231 PolarHBondContact O-N 2.73Å; L228-A232 WeakPolarHBondContact O-CB 3.44Å; L228-A232 PolarHBondContact O-N 3.5Å; L228-L267 HydrophobicContact CD2-CD1 3.99Å; L228-L267 HydrophobicContact CG-CD2 4.33Å
229	I	85.3	Confident	85.4	Confident	8 Å²	8	49.3 Å²	49.3	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-66.4	-39.4	175.6	-63.9	-55	0	0	0	111.6	W225 W227 A232 T233 L267 F268 A271	W225-I229 HydrophobicContact CZ2-CD1 3.99Å; W225-I229 HydrophobicContact CZ2-CG1 4.48Å; W225-I229 WeakPolarHBondContact O-CG1 3.37Å; W225-I229 PolarHBondContact O-N 3.11Å; W227-I229 VanDerWaalsContact C-N 3.34Å; W227-I229 PolarHBondContact O-N 3.33Å; I229-A232 PolarHBondContact O-N 3.31Å; I229-T233 HydrophobicContact CG2-CG2 4.39Å; I229-T233 WeakPolarHBondContact O-CG2 3.2Å; I229-T233 PolarHBondContact O-N 2.95Å; I229-T233 PolarHBondContact O-OG1 3.19Å; I229-L267 HydrophobicContact CD1-CG 4.29Å; I229-F268 HydrophobicContact CG2-CE1 4.09Å; I229-A271 HydrophobicContact CD1-CB 3.42Å; I229-A271 VanDerWaalsContact CD1-CB 3.42Å; I229-A271 HydrophobicContact CG1-CB 4.16Å
230	L	84.8	Confident	85.5	Confident	30 Å²	30	48 Å²	48	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-58.5	-48.3	174.9	173.8	61.2	0	0	0	111.2	D226 W227 A232 T233 F234 L343 Y350	D226-L230 WeakPolarHBondContact O-CB 3.28Å; D226-L230 PolarHBondContact O-N 3.5Å; W227-L230 HydrophobicContact CE3-CD2 3.71Å; W227-L230 HydrophobicContact CZ3-CD2 3.64Å; W227-L230 WeakPolarHBondContact O-CB 3.2Å; W227-L230 PolarHBondContact O-N 3.37Å; L230-A232 PolarHBondContact O-N 3.43Å; L230-T233 WeakPolarHBondContact CA-OG1 3.46Å; L230-T233 PolarHBondContact O-N 3.12Å; L230-T233 PolarHBondContact O-OG1 3.18Å; L230-F234 PolarHBondContact O-N 2.7Å; L230-L343 HydrophobicContact CD1-CD2 3.05Å; L230-L343 HydrophobicContact CD1-CG 4.48Å; L230-Y350 HydrophobicContact CD2-CE1 4.34Å; L230-Y350 HydrophobicContact CD2-CE2 4.24Å
231	L	87.8	Confident	85.9	Confident	118 Å²	118	42.6 Å²	42.6	62%	0.618	22%	0.218	S	C	*	.	H	α-helix	trans	-61.5	-44.1	177.6	-177.5	62.3	0	0	0	111.8	W227 L228 T233 F234 Y235	W227-L231 PolarHBondContact O-N 2.66Å; L228-L231 PolarHBondContact O-N 2.73Å; L231-T233 VanDerWaalsContact C-N 3.33Å; L231-T233 PolarHBondContact O-N 2.96Å; L231-F234 PolarHBondContact O-N 2.89Å; L231-Y235 PolarHBondContact O-N 3.34Å
232	A	87.1	Confident	86	Confident	9 Å²	9	39.5 Å²	39.5	7%	0.074	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-37.4	175.7	0	0	0	0	0	112.5	L228 I229 L230 Y235 V236 L267 F268	L228-A232 WeakPolarHBondContact O-CB 3.44Å; L228-A232 PolarHBondContact O-N 3.5Å; I229-A232 PolarHBondContact O-N 3.31Å; L230-A232 PolarHBondContact O-N 3.43Å; A232-Y235 PolarHBondContact O-N 3.4Å; A232-V236 WeakPolarHBondContact O-CG2 3.31Å; A232-V236 PolarHBondContact O-N 3.48Å; A232-V236 VanDerWaalsContact O-N 3.1Å; A232-L267 HydrophobicContact CB-CD2 3.69Å; A232-F268 HydrophobicContact CB-CE2 3.99Å; A232-F268 HydrophobicContact CB-CZ 3.81Å
233	T	86.6	Confident	86.1	Confident	3 Å²	3	39 Å²	39	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-66.9	-37.3	174.9	51.3	0	0	0	0	112.4	I229 L230 L231 V236 A237 F268 R339	I229-T233 HydrophobicContact CG2-CG2 4.39Å; I229-T233 WeakPolarHBondContact O-CG2 3.2Å; I229-T233 PolarHBondContact O-N 2.95Å; I229-T233 PolarHBondContact O-OG1 3.19Å; L230-T233 WeakPolarHBondContact CA-OG1 3.46Å; L230-T233 PolarHBondContact O-N 3.12Å; L230-T233 PolarHBondContact O-OG1 3.18Å; L231-T233 VanDerWaalsContact C-N 3.33Å; L231-T233 PolarHBondContact O-N 2.96Å; T233-V236 PolarHBondContact O-N 3.01Å; T233-A237 WeakPolarHBondContact O-CB 3.49Å; T233-A237 PolarHBondContact O-N 3.4Å; T233-F268 HydrophobicContact CG2-CE1 3.7Å; T233-F268 HydrophobicContact CG2-CZ 3.61Å; T233-R339 HydrophobicContact CG2-CB 4.04Å
234	F	88.5	Confident	86	Confident	73 Å²	73	39.2 Å²	39.2	32%	0.32	20%	0.199	S	C	.	.	H	α-helix	trans	-65.1	-44.7	175.3	-175.6	-97.4	0	0	0	111.3	L230 L231 V236 A237 V238 S363 L367	L230-F234 PolarHBondContact O-N 2.7Å; L231-F234 PolarHBondContact O-N 2.89Å; F234-V236 PolarHBondContact O-N 2.93Å; F234-A237 WeakPolarHBondContact O-CB 3.37Å; F234-A237 PolarHBondContact O-N 3.37Å; F234-V238 HydrophobicContact CE1-CG2 4.09Å; F234-V238 HydrophobicContact CZ-CG2 4.2Å; F234-V238 PolarHBondContact O-N 2.74Å; F234-S363 WeakPolarHBondContact CD2-OG 3.49Å; F234-S363 WeakPolarHBondContact CE2-OG 3.29Å; F234-L367 HydrophobicContact CD2-CD1 3.69Å; F234-L367 HydrophobicContact CD2-CD2 4.1Å; F234-L367 HydrophobicContact CD2-CG 4.06Å; F234-L367 HydrophobicContact CE2-CD1 3.64Å; F234-L367 HydrophobicContact CE2-CD2 3.65Å; F234-L367 HydrophobicContact CE2-CG 3.51Å; F234-L367 HydrophobicContact CZ-CD2 4.15Å; F234-L367 HydrophobicContact CZ-CG 4.33Å
235	Y	88.9	Confident	85.8	Confident	79 Å²	79	37.7 Å²	37.7	31%	0.31	18%	0.182	S	C	.	.	H	α-helix	trans	-54.8	-51.6	174.3	174.7	-94.6	0	0	0	111.7	L231 A232 A237 V238 T239 S260 V264	L231-Y235 PolarHBondContact O-N 3.34Å; A232-Y235 PolarHBondContact O-N 3.4Å; Y235-A237 VanDerWaalsContact C-N 3.29Å; Y235-A237 PolarHBondContact O-N 3.45Å; Y235-V238 PolarHBondContact O-N 3.4Å; Y235-V238 VanDerWaalsContact O-N 3.1Å; Y235-T239 HydrophobicContact CD1-CG2 4.3Å; Y235-T239 HydrophobicContact CD2-CG2 3.95Å; Y235-T239 HydrophobicContact CE1-CG2 3.92Å; Y235-T239 HydrophobicContact CE2-CG2 3.55Å; Y235-T239 HydrophobicContact CG-CG2 4.32Å; Y235-T239 PolarHBondContact O-N 3.12Å; Y235-T239 PolarHBondContact O-OG1 3.45Å; Y235-S260 VanDerWaalsContact OH-CB 3.32Å; Y235-S260 WeakPolarHBondContact OH-CB 3.39Å; Y235-S260 PolarHBondContact OH-OG 2.95Å; Y235-V264 HydrophobicContact CD1-CG1 4.49Å; Y235-V264 HydrophobicContact CD1-CG2 3.81Å; Y235-V264 HydrophobicContact CE1-CG2 3.83Å
236	V	86.9	Confident	85.5	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.024	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-38.4	178.4	173.1	0	0	0	0	111.9	A232 T233 F234 V238 V240 V264 F268 R336	A232-V236 WeakPolarHBondContact O-CG2 3.31Å; A232-V236 PolarHBondContact O-N 3.48Å; A232-V236 VanDerWaalsContact O-N 3.1Å; T233-V236 PolarHBondContact O-N 3.01Å; F234-V236 PolarHBondContact O-N 2.93Å; V236-V238 PolarHBondContact O-N 3.15Å; V236-V240 HydrophobicContact CG1-CG2 3.62Å; V236-V240 VanDerWaalsContact O-CB 3.27Å; V236-V240 WeakPolarHBondContact O-CB 3.36Å; V236-V240 WeakPolarHBondContact O-CG2 3.2Å; V236-V240 PolarHBondContact O-N 3.02Å; V236-V264 HydrophobicContact CG2-CG1 3.53Å; V236-F268 HydrophobicContact CG2-CE2 3.86Å; V236-R336 HydrophobicContact CG1-CB 3.79Å
237	A	88.9	Confident	84.8	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-65.6	-26.4	179.1	0	0	0	0	0	113.3	T233 F234 Y235 P241 L340 L367 W371	T233-A237 WeakPolarHBondContact O-CB 3.49Å; T233-A237 PolarHBondContact O-N 3.4Å; F234-A237 WeakPolarHBondContact O-CB 3.37Å; F234-A237 PolarHBondContact O-N 3.37Å; Y235-A237 VanDerWaalsContact C-N 3.29Å; Y235-A237 PolarHBondContact O-N 3.45Å; A237-P241 VanDerWaalsContact O-CD 3.29Å; A237-P241 WeakPolarHBondContact O-CD 3.41Å; A237-P241 WeakPolarHBondContact O-CG 3.27Å; A237-L340 HydrophobicContact CB-CD1 3.87Å; A237-L340 HydrophobicContact CB-CD2 3.95Å; A237-L340 HydrophobicContact CB-CG 4.2Å; A237-L367 HydrophobicContact CB-CD1 4.19Å; A237-L367 HydrophobicContact CB-CD2 3.87Å; A237-W371 HydrophobicContact CB-CZ2 4.35Å; A237-W371 PolarHBondContact O-NE1 3.45Å
238	V	89.8	Confident	83.5	Confident	45 Å²	45	32.1 Å²	32.1	27%	0.273	17%	0.172	S	C	.	.	H	α-helix	trans	-86.7	-50.9	174.2	178.4	0	0	0	0	111	F234 Y235 V236 Y242 L367 H370	F234-V238 HydrophobicContact CE1-CG2 4.09Å; F234-V238 HydrophobicContact CZ-CG2 4.2Å; F234-V238 PolarHBondContact O-N 2.74Å; Y235-V238 PolarHBondContact O-N 3.4Å; Y235-V238 VanDerWaalsContact O-N 3.1Å; V236-V238 PolarHBondContact O-N 3.15Å; V238-Y242 WeakPolarHBondContact O-CB 2.74Å; V238-Y242 PolarHBondContact O-N 3.2Å; V238-L367 HydrophobicContact CG2-CD2 3.49Å; V238-L367 VanDerWaalsContact CG2-CD2 3.49Å; V238-H370 PolarHBondContact O-NE2 3.25Å
239	T	85.4	Confident	81.9	Confident	22 Å²	22	35.4 Å²	35.4	14%	0.135	19%	0.19	C	C	.	.	H	α-helix	trans	-74.5	-34.8	-170.2	60.1	0	0	0	0	113.6	Y235 Y242 N243	Y235-T239 HydrophobicContact CD1-CG2 4.3Å; Y235-T239 HydrophobicContact CD2-CG2 3.95Å; Y235-T239 HydrophobicContact CE1-CG2 3.92Å; Y235-T239 HydrophobicContact CE2-CG2 3.55Å; Y235-T239 HydrophobicContact CG-CG2 4.32Å; Y235-T239 PolarHBondContact O-N 3.12Å; Y235-T239 PolarHBondContact O-OG1 3.45Å; T239-Y242 PolarHBondContact O-N 3.24Å; T239-N243 VanDerWaalsContact O-CB 3.3Å; T239-N243 WeakPolarHBondContact O-CB 3.27Å; T239-N243 PolarHBondContact O-N 3.35Å; T239-N243 PolarHBondContact O-ND2 2.95Å; T239-N243 PolarHBondContact O-OD1 3.08Å
240	V	84.4	Confident	80.4	Confident	5 Å²	5	40.4 Å²	40.4	3%	0.03	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-52.5	-177.3	169.6	0	0	0	0	112.3	V236 Y242 N243 V244 K333 R336	V236-V240 HydrophobicContact CG1-CG2 3.62Å; V236-V240 VanDerWaalsContact O-CB 3.27Å; V236-V240 WeakPolarHBondContact O-CB 3.36Å; V236-V240 WeakPolarHBondContact O-CG2 3.2Å; V236-V240 PolarHBondContact O-N 3.02Å; V240-Y242 VanDerWaalsContact C-N 3.29Å; V240-Y242 PolarHBondContact O-N 3.23Å; V240-N243 PolarHBondContact O-N 3.21Å; V240-V244 VanDerWaalsContact O-CG2 3.3Å; V240-V244 WeakPolarHBondContact O-CG2 3.14Å; V240-V244 PolarHBondContact O-N 3.09Å; V240-K333 HydrophobicContact CG1-CB 4.36Å; V240-K333 WeakPolarHBondContact CG1-O 3.46Å; V240-R336 HydrophobicContact CG2-CB 4.14Å
241	P	88.2	Confident	79.1	Confident	14 Å²	14	45.2 Å²	45.2	9%	0.091	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-39.6	175.5	-24.2	35.7	0	0	0	112.2	A237 V244 C245 L337 C374	A237-P241 VanDerWaalsContact O-CD 3.29Å; A237-P241 WeakPolarHBondContact O-CD 3.41Å; A237-P241 WeakPolarHBondContact O-CG 3.27Å; P241-V244 PolarHBondContact O-N 3.22Å; P241-C245 WeakPolarHBondContact O-CB 3.13Å; P241-C245 PolarHBondContact O-N 3.34Å; P241-C245 PolarHBondContact O-SG 3.26Å; P241-L337 HydrophobicContact CG-CD1 4.43Å; P241-L337 HydrophobicContact CG-CD2 4.24Å; P241-C374 HydrophobicContact CB-CB 4.24Å
242	Y	87	Confident	77.5	Confident	59 Å²	59	46.5 Å²	46.5	23%	0.231	25%	0.25	C	S	.	.	H	α-helix	trans	-61.2	-48.1	178.2	-179	-99.8	0	0	0	111.9	V238 T239 V240 V244 C245 F246 I247 Y426	V238-Y242 WeakPolarHBondContact O-CB 2.74Å; V238-Y242 PolarHBondContact O-N 3.2Å; T239-Y242 PolarHBondContact O-N 3.24Å; V240-Y242 VanDerWaalsContact C-N 3.29Å; V240-Y242 PolarHBondContact O-N 3.23Å; Y242-V244 VanDerWaalsContact C-N 3.34Å; Y242-V244 PolarHBondContact O-N 3.12Å; Y242-C245 PolarHBondContact O-N 2.92Å; Y242-F246 HydrophobicContact CD2-CB 4.49Å; Y242-F246 AromaticContact CD2-CD2 3.58Å; Y242-F246 HydrophobicContact CD2-CD2 3.58Å; Y242-F246 HydrophobicContact CD2-CE2 4.14Å; Y242-F246 HydrophobicContact CD2-CG 4.25Å; Y242-F246 HydrophobicContact CE2-CB 4.21Å; Y242-F246 AromaticContact CE2-CD2 3.85Å; Y242-F246 HydrophobicContact CE2-CD2 3.85Å; Y242-F246 HydrophobicContact CE2-CE2 4.48Å; Y242-F246 HydrophobicContact CE2-CG 4.08Å; Y242-F246 HydrophobicContact CG-CD2 4.32Å; Y242-F246 WeakPolarHBondContact O-CB 3.21Å; Y242-F246 PolarHBondContact O-N 3.49Å; Y242-I247 HydrophobicContact CD1-CD1 3.71Å; Y242-I247 HydrophobicContact CE1-CD1 3.44Å; Y242-I247 VanDerWaalsContact CE1-CD1 3.44Å; Y242-I247 HydrophobicContact CE1-CG1 4.29Å; Y242-Y426 HydrophobicContact CD2-CD2 4.05Å; Y242-Y426 HydrophobicContact CD2-CE2 4.09Å; Y242-Y426 HydrophobicContact CE2-CD2 4.03Å; Y242-Y426 HydrophobicContact CE2-CE2 4.4Å; Y242-Y426 HydrophobicContact CE2-CG 4.11Å
243	N	81.5	Confident	76	Confident	16 Å²	16	50.2 Å²	50.2	9%	0.086	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-36.7	179.5	-68.7	-6.9	0	0	0	112.2	T239 V240 I247 D261	T239-N243 VanDerWaalsContact O-CB 3.3Å; T239-N243 WeakPolarHBondContact O-CB 3.27Å; T239-N243 PolarHBondContact O-N 3.35Å; T239-N243 PolarHBondContact O-ND2 2.95Å; T239-N243 PolarHBondContact O-OD1 3.08Å; V240-N243 PolarHBondContact O-N 3.21Å; N243-I247 VanDerWaalsContact OD1-CD1 3.23Å; N243-I247 WeakPolarHBondContact OD1-CD1 3.08Å; N243-D261 PolarHBondContact ND2-OD2 2.92Å
244	V	79.9	Confident	74.8	Confident	40 Å²	40	51.9 Å²	51.9	24%	0.242	28%	0.279	C	S	.	.	H	α-helix	trans	-70.2	-37.4	177.9	172	0	0	0	0	111.6	V240 P241 Y242 K333 T334	V240-V244 VanDerWaalsContact O-CG2 3.3Å; V240-V244 WeakPolarHBondContact O-CG2 3.14Å; V240-V244 PolarHBondContact O-N 3.09Å; P241-V244 PolarHBondContact O-N 3.22Å; Y242-V244 VanDerWaalsContact C-N 3.34Å; Y242-V244 PolarHBondContact O-N 3.12Å; V244-K333 HydrophobicContact CG2-CB 4.35Å; V244-T334 HydrophobicContact CG2-CG2 4.33Å
245	C	81.3	Confident	73.4	Confident	10 Å²	10	57.2 Å²	57.2	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-85.2	-45.5	-174.8	-57.5	0	0	0	0	112.5	P241 Y242 C374 Y377 I378	P241-C245 WeakPolarHBondContact O-CB 3.13Å; P241-C245 PolarHBondContact O-N 3.34Å; P241-C245 PolarHBondContact O-SG 3.26Å; Y242-C245 PolarHBondContact O-N 2.92Å; C245-C374 HydrophobicContact CB-CB 4.45Å; C245-C374 VanDerWaalsContact SG-CB 3.55Å; C245-Y377 HydrophobicContact CB-CD1 4.14Å; C245-Y377 VanDerWaalsContact O-CE1 3.29Å; C245-Y377 WeakPolarHBondContact O-CE1 3.28Å; C245-I378 HydrophobicContact CB-CD1 4.36Å; C245-I378 HydrophobicContact CB-CG1 4.19Å; C245-I378 WeakPolarHBondContact SG-CD1 3.36Å
246	F	77.4	Confident	72.2	Confident	13 Å²	13	57.1 Å²	57.1	6%	0.057	31%	0.307	C	S	.	.	H	α-helix	trans	-105.7	-19.7	-163.6	-66.6	-84.6	0	0	0	115.4	Y242 Y377 I422 V425 Y426	Y242-F246 HydrophobicContact CD2-CB 4.49Å; Y242-F246 AromaticContact CD2-CD2 3.58Å; Y242-F246 HydrophobicContact CD2-CD2 3.58Å; Y242-F246 HydrophobicContact CD2-CE2 4.14Å; Y242-F246 HydrophobicContact CD2-CG 4.25Å; Y242-F246 HydrophobicContact CE2-CB 4.21Å; Y242-F246 AromaticContact CE2-CD2 3.85Å; Y242-F246 HydrophobicContact CE2-CD2 3.85Å; Y242-F246 HydrophobicContact CE2-CE2 4.48Å; Y242-F246 HydrophobicContact CE2-CG 4.08Å; Y242-F246 HydrophobicContact CG-CD2 4.32Å; Y242-F246 WeakPolarHBondContact O-CB 3.21Å; Y242-F246 PolarHBondContact O-N 3.49Å; F246-Y377 AromaticContact CD1-CD1 3.69Å; F246-Y377 HydrophobicContact CD1-CD1 3.69Å; F246-Y377 AromaticContact CD1-CE1 3.6Å; F246-Y377 HydrophobicContact CD1-CE1 3.6Å; F246-Y377 HydrophobicContact CD1-CG 4.18Å; F246-Y377 HydrophobicContact CD2-CD1 4.46Å; F246-Y377 AromaticContact CE1-CD1 3.4Å; F246-Y377 HydrophobicContact CE1-CD1 3.4Å; F246-Y377 VanDerWaalsContact CE1-CD1 3.4Å; F246-Y377 AromaticContact CE1-CD2 3.86Å; F246-Y377 HydrophobicContact CE1-CD2 3.86Å; F246-Y377 AromaticContact CE1-CE1 3.75Å; F246-Y377 HydrophobicContact CE1-CE1 3.75Å; F246-Y377 HydrophobicContact CE1-CE2 4.19Å; F246-Y377 AromaticContact CE1-CG 3.44Å; F246-Y377 HydrophobicContact CE1-CG 3.44Å; F246-Y377 VanDerWaalsContact CE1-CG 3.44Å; F246-Y377 HydrophobicContact CE2-CD1 4.21Å; F246-Y377 HydrophobicContact CG-CD1 4.22Å; F246-Y377 HydrophobicContact CG-CE1 4.2Å; F246-Y377 AromaticContact CZ-CD1 3.68Å; F246-Y377 HydrophobicContact CZ-CD1 3.68Å; F246-Y377 HydrophobicContact CZ-CD2 4.42Å; F246-Y377 HydrophobicContact CZ-CE1 4.44Å; F246-Y377 AromaticContact CZ-CG 3.65Å; F246-Y377 HydrophobicContact CZ-CG 3.65Å; F246-I422 HydrophobicContact CB-CD1 4.2Å; F246-I422 HydrophobicContact CB-CG1 4Å; F246-I422 HydrophobicContact CD1-CD1 3.76Å; F246-I422 HydrophobicContact CD1-CG1 3.8Å; F246-I422 HydrophobicContact CG-CD1 4.49Å; F246-I422 HydrophobicContact CG-CG1 4.35Å; F246-V425 HydrophobicContact CE1-CG1 4.46Å; F246-Y426 HydrophobicContact CD2-CD2 4.49Å; F246-Y426 AromaticContact CE2-CD2 3.75Å; F246-Y426 HydrophobicContact CE2-CD2 3.75Å; F246-Y426 AromaticContact CZ-CD2 3.79Å; F246-Y426 HydrophobicContact CZ-CD2 3.79Å; F246-Y426 HydrophobicContact CZ-CG 4.42Å
247	I	69.1	Low	71.3	Confident	15 Å²	15	58.4 Å²	58.4	8%	0.077	32%	0.316	C	S	.	.			trans	-112.1	37.3	-168.7	-64.9	155.8	0	0	0	111.7	Y242 N243 D249 T254	Y242-I247 HydrophobicContact CD1-CD1 3.71Å; Y242-I247 HydrophobicContact CE1-CD1 3.44Å; Y242-I247 VanDerWaalsContact CE1-CD1 3.44Å; Y242-I247 HydrophobicContact CE1-CG1 4.29Å; N243-I247 VanDerWaalsContact OD1-CD1 3.23Å; N243-I247 WeakPolarHBondContact OD1-CD1 3.08Å; I247-D249 PolarHBondContact O-N 3.08Å; I247-T254 HydrophobicContact CG2-CG2 3.49Å; I247-T254 VanDerWaalsContact CG2-CG2 3.49Å
248	G	56.8	Low	70.3	Confident	35 Å²	35	60.6 Å²	60.6	36%	0.361	33%	0.329	S	S	.	.	S	Bend	trans	-65.7	-26.4	-172.8	0	0	0	0	0	116.5
249	D	54.3	Low	69.6	Low	145 Å²	145	63.3 Å²	63.3	78%	0.775	35%	0.345	S	S	*	.	S	Bend	trans	-142.4	-0.1	-165.4	-71.6	-51.7	0	0	0	116.6	I247	I247-D249 PolarHBondContact O-N 3.08Å
250	D	54.4	Low	69.1	Low	113 Å²	113	64.4 Å²	64.4	60%	0.604	35%	0.354	S	S	*	.			trans	-97.8	107.5	-175.3	-74.9	-27.7	0	0	0	113.6	D252 T254	D250-D252 VanDerWaalsContact C-N 3.34Å; D250-D252 PolarHBondContact O-N 2.88Å; D250-T254 WeakPolarHBondContact O-CG2 3.36Å; D250-T254 PolarHBondContact O-N 2.75Å; D250-T254 PolarHBondContact O-OG1 3.11Å; D250-T254 VanDerWaalsContact O-OG1 3.05Å
251	D	56.4	Low	68.8	Low	130 Å²	130	64.5 Å²	64.5	70%	0.695	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.3	-173.7	-91.6	-19.9	0	0	0	115.9	T254	D251-T254 WeakPolarHBondContact CA-OG1 3.38Å; D251-T254 PolarHBondContact O-OG1 3.35Å
252	D	55.3	Low	68.4	Low	145 Å²	145	67.6 Å²	67.6	78%	0.775	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-37.8	-174.4	-77.3	-30.4	0	0	0	113.7	D250 T254	D250-D252 VanDerWaalsContact C-N 3.34Å; D250-D252 PolarHBondContact O-N 2.88Å; D252-T254 VanDerWaalsContact C-N 3.34Å
253	L	56.1	Low	68.2	Low	88 Å²	88	66.7 Å²	66.7	46%	0.461	38%	0.378	S	S	.	.	H	α-helix	trans	-77.4	-23.6	177.1	-173.5	60.9	0	0	0	112.2	R255 S256 T257	L253-R255 VanDerWaalsContact C-N 3.31Å; L253-R255 PolarHBondContact O-N 3.2Å; L253-S256 PolarHBondContact O-OG 3.37Å; L253-T257 PolarHBondContact O-OG1 2.94Å
254	T	59.7	Low	68.2	Low	38 Å²	38	67 Å²	67	23%	0.233	38%	0.38	C	S	.	.	H	α-helix	trans	-66.1	-29.8	174.4	48.8	0	0	0	0	112.3	I247 D250 D251 D252 T257 T258	I247-T254 HydrophobicContact CG2-CG2 3.49Å; I247-T254 VanDerWaalsContact CG2-CG2 3.49Å; D250-T254 WeakPolarHBondContact O-CG2 3.36Å; D250-T254 PolarHBondContact O-N 2.75Å; D250-T254 PolarHBondContact O-OG1 3.11Å; D250-T254 VanDerWaalsContact O-OG1 3.05Å; D251-T254 WeakPolarHBondContact CA-OG1 3.38Å; D251-T254 PolarHBondContact O-OG1 3.35Å; D252-T254 VanDerWaalsContact C-N 3.34Å; T254-T257 WeakPolarHBondContact CA-OG1 3.36Å; T254-T257 PolarHBondContact O-OG1 2.88Å; T254-T258 VanDerWaalsContact O-CB 3.28Å; T254-T258 WeakPolarHBondContact O-CB 3.26Å; T254-T258 WeakPolarHBondContact O-CG2 3.48Å; T254-T258 PolarHBondContact O-N 2.86Å; T254-T258 PolarHBondContact O-OG1 3.28Å
255	R	60.1	Low	68.3	Low	185 Å²	185	65.7 Å²	65.7	70%	0.698	37%	0.372	S	S	*	.	H	α-helix	trans	-71.1	-33.1	-179	-68.5	-177.5	76.1	113.6	0.3	114.4	L253 T258 V259	L253-R255 VanDerWaalsContact C-N 3.31Å; L253-R255 PolarHBondContact O-N 3.2Å; R255-T258 WeakPolarHBondContact CA-OG1 3.45Å; R255-T258 PolarHBondContact O-OG1 3.06Å; R255-T258 VanDerWaalsContact O-OG1 3.04Å; R255-V259 WeakPolarHBondContact O-CG2 3.39Å
256	S	63.2	Low	68.4	Low	76 Å²	76	69.6 Å²	69.6	53%	0.531	39%	0.391	S	S	.	.	H	α-helix	trans	-80.6	-39.3	179	61.5	0	0	0	0	112.1	L253 V259	L253-S256 PolarHBondContact O-OG 3.37Å; S256-V259 PolarHBondContact O-N 3.03Å
257	T	67.7	Low	68.8	Low	32 Å²	32	70.7 Å²	70.7	20%	0.196	40%	0.397	C	S	.	.	H	α-helix	trans	-71.3	-31.8	178.3	49.1	0	0	0	0	112.8	L253 T254 S260 D261	L253-T257 PolarHBondContact O-OG1 2.94Å; T254-T257 WeakPolarHBondContact CA-OG1 3.36Å; T254-T257 PolarHBondContact O-OG1 2.88Å; T257-S260 PolarHBondContact O-N 2.94Å; T257-S260 PolarHBondContact O-OG 3.43Å; T257-D261 WeakPolarHBondContact O-CB 3.47Å; T257-D261 PolarHBondContact O-N 3.33Å
258	T	69.2	Low	69.3	Low	47 Å²	47	70.1 Å²	70.1	29%	0.288	39%	0.394	S	S	.	.	H	α-helix	trans	-66.7	-34.7	174.5	46.3	0	0	0	0	113.3	T254 R255 D261 I262	T254-T258 VanDerWaalsContact O-CB 3.28Å; T254-T258 WeakPolarHBondContact O-CB 3.26Å; T254-T258 WeakPolarHBondContact O-CG2 3.48Å; T254-T258 PolarHBondContact O-N 2.86Å; T254-T258 PolarHBondContact O-OG1 3.28Å; R255-T258 WeakPolarHBondContact CA-OG1 3.45Å; R255-T258 PolarHBondContact O-OG1 3.06Å; R255-T258 VanDerWaalsContact O-OG1 3.04Å; T258-D261 PolarHBondContact O-N 2.86Å; T258-I262 WeakPolarHBondContact O-CB 3.35Å; T258-I262 WeakPolarHBondContact O-CD1 3.39Å; T258-I262 WeakPolarHBondContact O-CG1 3.31Å; T258-I262 PolarHBondContact O-N 3.49Å
259	V	74.8	Confident	70.5	Confident	102 Å²	102	71.8 Å²	71.8	62%	0.618	39%	0.394	S	S	*	.	H	α-helix	trans	-65.9	-43.4	177.2	175.1	0	0	0	0	111.2	R255 S256 I262 G263	R255-V259 WeakPolarHBondContact O-CG2 3.39Å; S256-V259 PolarHBondContact O-N 3.03Å; V259-I262 PolarHBondContact O-N 3.07Å; V259-G263 PolarHBondContact O-N 3.24Å
260	S	75.3	Confident	71.8	Confident	44 Å²	44	68.4 Å²	68.4	31%	0.308	38%	0.375	S	S	.	.	H	α-helix	trans	-65.9	-38.8	175.3	50.1	0	0	0	0	112.2	Y235 T257 G263 V264	Y235-S260 VanDerWaalsContact OH-CB 3.32Å; Y235-S260 WeakPolarHBondContact OH-CB 3.39Å; Y235-S260 PolarHBondContact OH-OG 2.95Å; T257-S260 PolarHBondContact O-N 2.94Å; T257-S260 PolarHBondContact O-OG 3.43Å; S260-G263 PolarHBondContact O-N 2.73Å; S260-V264 WeakPolarHBondContact O-CG2 3.42Å; S260-V264 PolarHBondContact O-N 2.84Å; S260-V264 VanDerWaalsContact O-N 3.07Å
261	D	77.6	Confident	72.9	Confident	7 Å²	7	63.1 Å²	63.1	4%	0.037	35%	0.347	C	S	.	.	H	α-helix	trans	-64.2	-44.3	176.8	-77.5	-9.3	0	0	0	111.5	N243 T257 T258 G263 V264 E265	N243-D261 PolarHBondContact ND2-OD2 2.92Å; T257-D261 WeakPolarHBondContact O-CB 3.47Å; T257-D261 PolarHBondContact O-N 3.33Å; T258-D261 PolarHBondContact O-N 2.86Å; D261-G263 VanDerWaalsContact C-N 3.35Å; D261-G263 PolarHBondContact O-N 3.46Å; D261-V264 PolarHBondContact O-N 3.43Å; D261-E265 WeakPolarHBondContact O-CG 3.49Å; D261-E265 PolarHBondContact O-N 3.41Å
262	I	80.2	Confident	73.8	Confident	80 Å²	80	59 Å²	59	41%	0.41	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-42.8	175.2	-68.8	162.5	0	0	0	111.1	T258 V259 V264 E265 I266	T258-I262 WeakPolarHBondContact O-CB 3.35Å; T258-I262 WeakPolarHBondContact O-CD1 3.39Å; T258-I262 WeakPolarHBondContact O-CG1 3.31Å; T258-I262 PolarHBondContact O-N 3.49Å; V259-I262 PolarHBondContact O-N 3.07Å; I262-V264 VanDerWaalsContact C-N 3.32Å; I262-V264 PolarHBondContact O-N 2.8Å; I262-E265 PolarHBondContact O-N 2.84Å; I262-I266 HydrophobicContact CG2-CD1 3.87Å; I262-I266 HydrophobicContact CG2-CG1 4.44Å; I262-I266 VanDerWaalsContact O-CG1 3.31Å; I262-I266 WeakPolarHBondContact O-CG1 3.38Å; I262-I266 PolarHBondContact O-N 3.24Å
263	G	82	Confident	74.5	Confident	40 Å²	40	59.8 Å²	59.8	41%	0.412	32%	0.315	S	S	.	.	H	α-helix	trans	-60.2	-42.3	177	0	0	0	0	0	112.5	V259 S260 D261 I266 L267	V259-G263 PolarHBondContact O-N 3.24Å; S260-G263 PolarHBondContact O-N 2.73Å; D261-G263 VanDerWaalsContact C-N 3.35Å; D261-G263 PolarHBondContact O-N 3.46Å; G263-I266 PolarHBondContact O-N 3Å; G263-L267 PolarHBondContact O-N 3.19Å
264	V	81.9	Confident	75.1	Confident	23 Å²	23	56.5 Å²	56.5	14%	0.139	30%	0.298	C	S	.	.	H	α-helix	trans	-69.2	-38.2	176.7	173.2	0	0	0	0	111.4	Y235 V236 S260 D261 I262 L267 F268	Y235-V264 HydrophobicContact CD1-CG1 4.49Å; Y235-V264 HydrophobicContact CD1-CG2 3.81Å; Y235-V264 HydrophobicContact CE1-CG2 3.83Å; V236-V264 HydrophobicContact CG2-CG1 3.53Å; S260-V264 WeakPolarHBondContact O-CG2 3.42Å; S260-V264 PolarHBondContact O-N 2.84Å; S260-V264 VanDerWaalsContact O-N 3.07Å; D261-V264 PolarHBondContact O-N 3.43Å; I262-V264 VanDerWaalsContact C-N 3.32Å; I262-V264 PolarHBondContact O-N 2.8Å; V264-L267 WeakPolarHBondContact O-CB 3.5Å; V264-L267 PolarHBondContact O-N 3.46Å; V264-F268 HydrophobicContact CG1-CD2 3.68Å; V264-F268 HydrophobicContact CG1-CE2 3.4Å; V264-F268 VanDerWaalsContact CG1-CE2 3.4Å; V264-F268 WeakPolarHBondContact O-CD2 3.3Å; V264-F268 PolarHBondContact O-N 3.05Å
265	E	81.4	Confident	75.5	Confident	12 Å²	12	56.7 Å²	56.7	6%	0.056	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-45.8	172.3	-72.8	-167.6	151.8	0	0	112.5	D261 I262 L267 F268 I269 R336	D261-E265 WeakPolarHBondContact O-CG 3.49Å; D261-E265 PolarHBondContact O-N 3.41Å; I262-E265 PolarHBondContact O-N 2.84Å; E265-L267 VanDerWaalsContact C-N 3.29Å; E265-L267 PolarHBondContact O-N 3.44Å; E265-F268 PolarHBondContact O-N 3.01Å; E265-F268 VanDerWaalsContact O-N 3.14Å; E265-I269 VanDerWaalsContact O-CG1 3.32Å; E265-I269 WeakPolarHBondContact O-CG1 3.35Å; E265-I269 PolarHBondContact O-N 3.1Å; E265-R336 IonicContact OE1-CZ 2.73Å; E265-R336 IonicContact OE1-NE 3.79Å; E265-R336 PolarHBondContact OE1-NE 3.45Å; E265-R336 IonicContact OE1-NH1 3.6Å; E265-R336 IonicContact OE1-NH2 3.92Å; E265-R336 PolarHBondContact OE1-NH2 3.2Å
266	I	84.1	Confident	75.5	Confident	91 Å²	91	51 Å²	51	47%	0.467	28%	0.279	S	S	.	.	H	α-helix	trans	-59.3	-42.9	175.3	-68.3	166.4	0	0	0	110.2	I262 G263 F268 I269 I270	I262-I266 HydrophobicContact CG2-CD1 3.87Å; I262-I266 HydrophobicContact CG2-CG1 4.44Å; I262-I266 VanDerWaalsContact O-CG1 3.31Å; I262-I266 WeakPolarHBondContact O-CG1 3.38Å; I262-I266 PolarHBondContact O-N 3.24Å; G263-I266 PolarHBondContact O-N 3Å; I266-F268 VanDerWaalsContact C-N 3.33Å; I266-F268 PolarHBondContact O-N 2.88Å; I266-I269 PolarHBondContact O-N 3.21Å; I266-I270 HydrophobicContact CG2-CD1 3.78Å; I266-I270 HydrophobicContact CG2-CG1 4.38Å; I266-I270 WeakPolarHBondContact O-CB 3.45Å; I266-I270 VanDerWaalsContact O-CG1 3.25Å; I266-I270 WeakPolarHBondContact O-CG1 3.29Å; I266-I270 PolarHBondContact O-N 2.85Å
267	L	84.5	Confident	75	Confident	37 Å²	37	51.5 Å²	51.5	19%	0.194	28%	0.276	C	S	.	.	H	α-helix	trans	-59.6	-41.8	175.9	-178.3	68.5	0	0	0	112	W225 L228 I229 A232 G263 V264 E265 I270 A271	W225-L267 HydrophobicContact CH2-CD1 3.71Å; W225-L267 HydrophobicContact CZ2-CD1 4.33Å; W225-L267 HydrophobicContact CZ3-CD1 4.36Å; L228-L267 HydrophobicContact CD2-CD1 3.99Å; L228-L267 HydrophobicContact CG-CD2 4.33Å; I229-L267 HydrophobicContact CD1-CG 4.29Å; A232-L267 HydrophobicContact CB-CD2 3.69Å; G263-L267 PolarHBondContact O-N 3.19Å; V264-L267 WeakPolarHBondContact O-CB 3.5Å; V264-L267 PolarHBondContact O-N 3.46Å; E265-L267 VanDerWaalsContact C-N 3.29Å; E265-L267 PolarHBondContact O-N 3.44Å; L267-I270 CarbonylContact O-C 3.59Å; L267-I270 PolarHBondContact O-N 3.3Å; L267-A271 WeakPolarHBondContact O-CB 3.3Å; L267-A271 PolarHBondContact O-N 3.43Å
268	F	81.1	Confident	74.5	Confident	2 Å²	2	54 Å²	54	1%	0.009	28%	0.284	C	S	.	.	H	α-helix	trans	-71.1	-35	176.8	-79.5	-68.2	0	0	0	113.2	I229 A232 T233 V236 V264 E265 I266 I270 A271 F272	I229-F268 HydrophobicContact CG2-CE1 4.09Å; A232-F268 HydrophobicContact CB-CE2 3.99Å; A232-F268 HydrophobicContact CB-CZ 3.81Å; T233-F268 HydrophobicContact CG2-CE1 3.7Å; T233-F268 HydrophobicContact CG2-CZ 3.61Å; V236-F268 HydrophobicContact CG2-CE2 3.86Å; V264-F268 HydrophobicContact CG1-CD2 3.68Å; V264-F268 HydrophobicContact CG1-CE2 3.4Å; V264-F268 VanDerWaalsContact CG1-CE2 3.4Å; V264-F268 WeakPolarHBondContact O-CD2 3.3Å; V264-F268 PolarHBondContact O-N 3.05Å; E265-F268 PolarHBondContact O-N 3.01Å; E265-F268 VanDerWaalsContact O-N 3.14Å; I266-F268 VanDerWaalsContact C-N 3.33Å; I266-F268 PolarHBondContact O-N 2.88Å; F268-I270 VanDerWaalsContact C-N 3.33Å; F268-A271 WeakPolarHBondContact O-CB 3.45Å; F268-A271 PolarHBondContact O-N 3.08Å; F268-F272 WeakPolarHBondContact O-CB 3.16Å; F268-F272 PolarHBondContact O-N 3.44Å
269	I	81.6	Confident	74.4	Confident	71 Å²	71	56.4 Å²	56.4	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-42.6	171.8	-67.9	165.1	0	0	0	109.7	E265 I266 A271 F272 R273	E265-I269 VanDerWaalsContact O-CG1 3.32Å; E265-I269 WeakPolarHBondContact O-CG1 3.35Å; E265-I269 PolarHBondContact O-N 3.1Å; I266-I269 PolarHBondContact O-N 3.21Å; I269-A271 VanDerWaalsContact C-N 3.33Å; I269-F272 PolarHBondContact O-N 2.97Å; I269-R273 VanDerWaalsContact O-CB 3.24Å; I269-R273 WeakPolarHBondContact O-CB 2.96Å; I269-R273 PolarHBondContact O-N 3.13Å
270	I	81.9	Confident	74.4	Confident	73 Å²	73	52.8 Å²	52.8	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-63	-40.4	172.5	-68.6	167.5	0	0	0	110.3	W225 I266 L267 F268 R273 I274	W225-I270 HydrophobicContact CH2-CG2 3.76Å; W225-I270 HydrophobicContact CZ2-CG2 4.09Å; I266-I270 HydrophobicContact CG2-CD1 3.78Å; I266-I270 HydrophobicContact CG2-CG1 4.38Å; I266-I270 WeakPolarHBondContact O-CB 3.45Å; I266-I270 VanDerWaalsContact O-CG1 3.25Å; I266-I270 WeakPolarHBondContact O-CG1 3.29Å; I266-I270 PolarHBondContact O-N 2.85Å; L267-I270 CarbonylContact O-C 3.59Å; L267-I270 PolarHBondContact O-N 3.3Å; F268-I270 VanDerWaalsContact C-N 3.33Å; I270-R273 CarbonylContact O-C 3.49Å; I270-R273 PolarHBondContact O-N 2.83Å; I270-I274 HydrophobicContact CG2-CD1 3.57Å; I270-I274 HydrophobicContact CG2-CG1 4.14Å; I270-I274 WeakPolarHBondContact O-CB 3.48Å; I270-I274 WeakPolarHBondContact O-CG1 3.48Å; I270-I274 PolarHBondContact O-N 3.2Å
271	A	75.9	Confident	74.6	Confident	3 Å²	3	50.9 Å²	50.9	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-43.9	177.7	0	0	0	0	0	112.7	W225 I229 L267 F268 I269 I274 T275	W225-A271 HydrophobicContact CZ2-CB 3.97Å; I229-A271 HydrophobicContact CD1-CB 3.42Å; I229-A271 VanDerWaalsContact CD1-CB 3.42Å; I229-A271 HydrophobicContact CG1-CB 4.16Å; L267-A271 WeakPolarHBondContact O-CB 3.3Å; L267-A271 PolarHBondContact O-N 3.43Å; F268-A271 WeakPolarHBondContact O-CB 3.45Å; F268-A271 PolarHBondContact O-N 3.08Å; I269-A271 VanDerWaalsContact C-N 3.33Å; A271-I274 PolarHBondContact O-N 3.27Å; A271-T275 WeakPolarHBondContact O-CB 3.37Å; A271-T275 PolarHBondContact O-N 3.16Å; A271-T275 PolarHBondContact O-OG1 3.35Å
272	F	76.5	Confident	74.6	Confident	42 Å²	42	52.7 Å²	52.7	18%	0.184	26%	0.26	C	S	.	.	H	α-helix	trans	-61.1	-47.2	172.5	174.2	-100.5	0	0	0	110.2	F268 I269 I274 T275 K276 F305 D308 L309 A312	F268-F272 WeakPolarHBondContact O-CB 3.16Å; F268-F272 PolarHBondContact O-N 3.44Å; I269-F272 PolarHBondContact O-N 2.97Å; F272-I274 VanDerWaalsContact C-N 3.32Å; F272-I274 PolarHBondContact O-N 3.27Å; F272-T275 PolarHBondContact O-N 3.19Å; F272-K276 HydrophobicContact CD1-CG 4.5Å; F272-K276 HydrophobicContact CD2-CG 4.47Å; F272-K276 HydrophobicContact CE1-CG 4.22Å; F272-K276 HydrophobicContact CE2-CG 4.2Å; F272-K276 HydrophobicContact CZ-CG 4.08Å; F272-K276 WeakPolarHBondContact O-CB 3.36Å; F272-K276 VanDerWaalsContact O-CG 3.29Å; F272-K276 WeakPolarHBondContact O-CG 3.33Å; F272-K276 PolarHBondContact O-N 2.93Å; F272-F305 HydrophobicContact CE2-CD2 4.19Å; F272-F305 HydrophobicContact CE2-CE2 4.17Å; F272-F305 HydrophobicContact CZ-CD2 4.39Å; F272-F305 AromaticContact CZ-CE2 3.93Å; F272-F305 HydrophobicContact CZ-CE2 3.93Å; F272-D308 HydrophobicContact CD2-CB 4.19Å; F272-D308 HydrophobicContact CE2-CB 4.42Å; F272-L309 HydrophobicContact CZ-CD1 4.27Å; F272-A312 HydrophobicContact CB-CB 4.34Å; F272-A312 HydrophobicContact CG-CB 4.43Å
273	R	70.3	Confident	74.5	Confident	162 Å²	162	51.3 Å²	51.3	61%	0.611	26%	0.256	S	S	*	.	H	α-helix	trans	-60.9	-39.6	174.8	-169	-177.9	-173	-170.9	0.9	111.2	I269 I270 K276 L277	I269-R273 VanDerWaalsContact O-CB 3.24Å; I269-R273 WeakPolarHBondContact O-CB 2.96Å; I269-R273 PolarHBondContact O-N 3.13Å; I270-R273 CarbonylContact O-C 3.49Å; I270-R273 PolarHBondContact O-N 2.83Å; R273-K276 CarbonylContact O-C 3.58Å; R273-K276 PolarHBondContact O-N 3.1Å; R273-L277 HydrophobicContact CG-CB 4.12Å; R273-L277 HydrophobicContact CG-CD2 4.07Å; R273-L277 WeakPolarHBondContact O-CA 3.18Å; R273-L277 WeakPolarHBondContact O-CB 3.43Å; R273-L277 PolarHBondContact O-N 2.92Å
274	I	69.1	Low	74.2	Confident	19 Å²	19	51.3 Å²	51.3	10%	0.097	25%	0.249	C	C	.	.	H	α-helix	trans	-68.5	-43.6	179.7	-74.6	167.5	0	0	0	110.8	W225 I270 A271 F272 K276 F278	W225-I274 HydrophobicContact CD2-CD1 4.22Å; W225-I274 HydrophobicContact CE3-CD1 4.38Å; W225-I274 HydrophobicContact CH2-CD1 3.66Å; W225-I274 HydrophobicContact CZ2-CD1 3.45Å; W225-I274 VanDerWaalsContact CZ2-CD1 3.45Å; W225-I274 HydrophobicContact CZ3-CD1 4.12Å; I270-I274 HydrophobicContact CG2-CD1 3.57Å; I270-I274 HydrophobicContact CG2-CG1 4.14Å; I270-I274 WeakPolarHBondContact O-CB 3.48Å; I270-I274 WeakPolarHBondContact O-CG1 3.48Å; I270-I274 PolarHBondContact O-N 3.2Å; A271-I274 PolarHBondContact O-N 3.27Å; F272-I274 VanDerWaalsContact C-N 3.32Å; F272-I274 PolarHBondContact O-N 3.27Å; I274-K276 PolarHBondContact O-N 3.22Å; I274-F278 HydrophobicContact CB-CD2 4.08Å; I274-F278 HydrophobicContact CG1-CD2 3.73Å; I274-F278 HydrophobicContact CG1-CE2 3.98Å; I274-F278 HydrophobicContact CG2-CB 4.25Å; I274-F278 HydrophobicContact CG2-CD2 4.05Å; I274-F278 WeakPolarHBondContact O-CA 3.29Å; I274-F278 WeakPolarHBondContact O-CB 3.44Å; I274-F278 PolarHBondContact O-N 2.99Å
275	T	66.7	Low	74	Confident	43 Å²	43	61 Å²	61	26%	0.264	29%	0.289	S	S	.	.	H	α-helix	trans	-60.5	-36.7	175.7	-52.5	0	0	0	0	111.2	A271 F272 Y300	A271-T275 WeakPolarHBondContact O-CB 3.37Å; A271-T275 PolarHBondContact O-N 3.16Å; A271-T275 PolarHBondContact O-OG1 3.35Å; F272-T275 PolarHBondContact O-N 3.19Å; T275-Y300 HydrophobicContact CG2-CD2 4.14Å; T275-Y300 HydrophobicContact CG2-CE2 3.51Å
276	K	60.3	Low	73.4	Confident	65 Å²	65	64 Å²	64	28%	0.283	31%	0.312	S	S	.	.	H	α-helix	trans	-84.4	-39.1	178.6	-70.9	-65.4	-150.6	179.4	0	115.3	F272 R273 I274 Y300	F272-K276 HydrophobicContact CD1-CG 4.5Å; F272-K276 HydrophobicContact CD2-CG 4.47Å; F272-K276 HydrophobicContact CE1-CG 4.22Å; F272-K276 HydrophobicContact CE2-CG 4.2Å; F272-K276 HydrophobicContact CZ-CG 4.08Å; F272-K276 WeakPolarHBondContact O-CB 3.36Å; F272-K276 VanDerWaalsContact O-CG 3.29Å; F272-K276 WeakPolarHBondContact O-CG 3.33Å; F272-K276 PolarHBondContact O-N 2.93Å; R273-K276 CarbonylContact O-C 3.58Å; R273-K276 PolarHBondContact O-N 3.1Å; I274-K276 PolarHBondContact O-N 3.22Å; K276-Y300 HydrophobicContact CD-CD1 3.86Å; K276-Y300 HydrophobicContact CD-CE1 3.6Å; K276-Y300 HydrophobicContact CG-CE1 4.45Å
277	L	53.3	Low	72.6	Confident	87 Å²	87	60.8 Å²	60.8	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-93.6	-38.3	-169.9	-172.6	67.7	0	0	0	112.1	R273 R279	R273-L277 HydrophobicContact CG-CB 4.12Å; R273-L277 HydrophobicContact CG-CD2 4.07Å; R273-L277 WeakPolarHBondContact O-CA 3.18Å; R273-L277 WeakPolarHBondContact O-CB 3.43Å; R273-L277 PolarHBondContact O-N 2.92Å; L277-R279 VanDerWaalsContact C-N 3.34Å
278	F	56.4	Low	72.1	Confident	83 Å²	83	64.1 Å²	64.1	36%	0.364	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	14.2	-178	-74.6	-80.2	0	0	0	114	F213 L215 I274 T280	F213-F278 HydrophobicContact CD1-CE1 4.44Å; F213-F278 CarbonylContact O-C 3.24Å; F213-F278 VanDerWaalsContact O-C 3.24Å; F213-F278 WeakPolarHBondContact O-CA 3.4Å; F213-F278 VanDerWaalsContact O-O 3.14Å; L215-F278 HydrophobicContact CB-CB 4.42Å; L215-F278 PolarHBondContact N-O 2.94Å; I274-F278 HydrophobicContact CB-CD2 4.08Å; I274-F278 HydrophobicContact CG1-CD2 3.73Å; I274-F278 HydrophobicContact CG1-CE2 3.98Å; I274-F278 HydrophobicContact CG2-CB 4.25Å; I274-F278 HydrophobicContact CG2-CD2 4.05Å; I274-F278 WeakPolarHBondContact O-CA 3.29Å; I274-F278 WeakPolarHBondContact O-CB 3.44Å; I274-F278 PolarHBondContact O-N 2.99Å; F278-T280 PolarHBondContact O-N 3.33Å
279	R	68.4	Low	71.9	Confident	98 Å²	98	64.7 Å²	64.7	37%	0.37	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.4	63.9	166.8	-61.9	171.5	-178.3	179.2	0.6	112.1	I214 L277 T281 A293 I296	I214-R279 HydrophobicContact CG1-CB 3.96Å; I214-R279 WeakPolarHBondContact CG2-O 3.49Å; L277-R279 VanDerWaalsContact C-N 3.34Å; R279-T281 PolarHBondContact O-N 3.32Å; R279-A293 HydrophobicContact CG-CB 4.37Å; R279-I296 HydrophobicContact CB-CD1 4.41Å
280	T	74.4	Confident	71.7	Confident	26 Å²	26	62.7 Å²	62.7	16%	0.16	31%	0.309	C	S	.	.			trans	-61.7	125.5	178.5	-59.2	0	0	0	0	108.9	L215 H217 F278	L215-T280 WeakPolarHBondContact O-CA 3.35Å; H217-T280 HydrophobicContact CB-CG2 4.17Å; F278-T280 PolarHBondContact O-N 3.33Å
281	T	78.6	Confident	71.3	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.031	30%	0.301	C	S	.	.			trans	-61.5	149.5	176.6	50.7	0	0	0	0	111.5	I214 L215 L216 H217 R279 V289 F291	I214-T281 HydrophobicContact CG2-CG2 3.45Å; I214-T281 VanDerWaalsContact CG2-CG2 3.45Å; L215-T281 PolarHBondContact O-N 2.98Å; L215-T281 VanDerWaalsContact O-N 3.11Å; L216-T281 HydrophobicContact CD1-CG2 4.03Å; H217-T281 WeakPolarHBondContact CB-O 3.36Å; H217-T281 PolarHBondContact N-OG1 3.46Å; H217-T281 VanDerWaalsContact N-OG1 3.14Å; H217-T281 PolarHBondContact ND1-OG1 2.86Å; H217-T281 VanDerWaalsContact ND1-OG1 3.15Å; R279-T281 PolarHBondContact O-N 3.32Å; T281-V289 HydrophobicContact CG2-CG1 4.02Å; T281-F291 HydrophobicContact CG2-CD1 3.91Å; T281-F291 HydrophobicContact CG2-CE1 4.12Å
282	F	77.2	Confident	71.3	Confident	44 Å²	44	65.8 Å²	65.8	19%	0.193	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	156.6	170.7	73.5	-83.1	0	0	0	110.3	I290 I296 H299	F282-I290 HydrophobicContact CE1-CB 4.02Å; F282-I290 HydrophobicContact CE1-CD1 4.26Å; F282-I290 HydrophobicContact CE1-CG2 4.12Å; F282-I290 HydrophobicContact CE2-CD1 3.73Å; F282-I290 HydrophobicContact CZ-CB 4.1Å; F282-I290 HydrophobicContact CZ-CD1 3.46Å; F282-I290 VanDerWaalsContact CZ-CD1 3.46Å; F282-I290 HydrophobicContact CZ-CG1 4.32Å; F282-I290 HydrophobicContact CZ-CG2 4.33Å; F282-I290 PolarHBondContact O-N 3.46Å; F282-I296 HydrophobicContact CD1-CB 4.5Å; F282-I296 HydrophobicContact CD1-CG1 3.89Å; F282-I296 HydrophobicContact CE1-CB 4.4Å; F282-I296 HydrophobicContact CE1-CG1 3.85Å; F282-H299 HydrophobicContact CE1-CB 4.27Å; F282-H299 HydrophobicContact CZ-CB 4.19Å
283	V	77.8	Confident	71.2	Confident	52 Å²	52	65.1 Å²	65.1	32%	0.315	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.3	176.9	-174.9	0	0	0	0	107.8	V289	V283-V289 HydrophobicContact CG2-CG2 4.36Å
284	S	77.4	Confident	71.6	Confident	39 Å²	39	68.1 Å²	68.1	27%	0.273	34%	0.337	S	S	.	.			trans	-69.9	163.6	173.9	-174	0	0	0	0	110.9	S286 G287 Q288	S284-S286 WeakPolarHBondContact CB-OG 3.37Å; S284-S286 PolarHBondContact O-N 3.27Å; S284-S286 VanDerWaalsContact O-N 3.1Å; S284-S286 PolarHBondContact OG-OG 3.19Å; S284-G287 PolarHBondContact O-N 2.92Å; S284-Q288 PolarHBondContact N-O 3.3Å
285	K	76	Confident	72.1	Confident	226 Å²	226	71.8 Å²	71.8	98%	0.983	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.3	171.7	-65.1	-173.8	179	-176.7	0	112.9	G287	K285-G287 PolarHBondContact O-N 3.04Å
286	S	70.3	Confident	72.7	Confident	77 Å²	77	70.5 Å²	70.5	54%	0.538	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	0.2	173.5	57.1	0	0	0	0	114.2	S284 Q288	S284-S286 WeakPolarHBondContact CB-OG 3.37Å; S284-S286 PolarHBondContact O-N 3.27Å; S284-S286 VanDerWaalsContact O-N 3.1Å; S284-S286 PolarHBondContact OG-OG 3.19Å; S286-Q288 PolarHBondContact O-N 3.44Å
287	G	67.1	Low	73.6	Confident	22 Å²	22	70.3 Å²	70.3	23%	0.227	35%	0.351	C	S	.	.	S	Bend	trans	78.3	-2.7	-179.2	0	0	0	0	0	114.9	G6 L7 S284 K285	G6-G287 CarbonylContact C-O 3.59Å; G6-G287 WeakPolarHBondContact CA-O 3.5Å; L7-G287 PolarHBondContact N-O 3.04Å; S284-G287 PolarHBondContact O-N 2.92Å; K285-G287 PolarHBondContact O-N 3.04Å
288	Q	73.8	Confident	74.9	Confident	108 Å²	108	73.4 Å²	73.4	51%	0.505	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-82.3	146.2	175.9	-69.2	-179.2	-16.2	0	0	111.9	S284 S286	S284-Q288 PolarHBondContact N-O 3.3Å; S286-Q288 PolarHBondContact O-N 3.44Å
289	V	77.4	Confident	76.1	Confident	14 Å²	14	73.6 Å²	73.6	9%	0.085	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.7	175.9	-177.4	0	0	0	0	109.6	K5 L8 T281 V283 F291	K5-V289 WeakPolarHBondContact O-CG2 3.35Å; L8-V289 HydrophobicContact CD1-CB 4.23Å; L8-V289 HydrophobicContact CD1-CG2 3.46Å; L8-V289 VanDerWaalsContact CD1-CG2 3.46Å; L8-V289 HydrophobicContact CG-CG2 4.12Å; T281-V289 HydrophobicContact CG2-CG1 4.02Å; V283-V289 HydrophobicContact CG2-CG2 4.36Å; V289-F291 HydrophobicContact CB-CE2 4.17Å; V289-F291 HydrophobicContact CB-CZ 4.31Å; V289-F291 HydrophobicContact CG1-CE1 4.37Å; V289-F291 HydrophobicContact CG1-CE2 4.12Å; V289-F291 HydrophobicContact CG1-CZ 3.95Å; V289-F291 VanDerWaalsContact O-CD2 3.27Å; V289-F291 WeakPolarHBondContact O-CD2 3.49Å; V289-F291 VanDerWaalsContact O-CE2 3.32Å; V289-F291 WeakPolarHBondContact O-CE2 3.49Å
290	I	76.9	Confident	76.6	Confident	29 Å²	29	70.3 Å²	70.3	15%	0.149	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	123.6	-179.2	-64.4	169.3	0	0	0	109.2	F282 D292 Q295	F282-I290 HydrophobicContact CE1-CB 4.02Å; F282-I290 HydrophobicContact CE1-CD1 4.26Å; F282-I290 HydrophobicContact CE1-CG2 4.12Å; F282-I290 HydrophobicContact CE2-CD1 3.73Å; F282-I290 HydrophobicContact CZ-CB 4.1Å; F282-I290 HydrophobicContact CZ-CD1 3.46Å; F282-I290 VanDerWaalsContact CZ-CD1 3.46Å; F282-I290 HydrophobicContact CZ-CG1 4.32Å; F282-I290 HydrophobicContact CZ-CG2 4.33Å; F282-I290 PolarHBondContact O-N 3.46Å; I290-D292 HydrophobicContact CG2-CB 4.12Å; I290-Q295 HydrophobicContact CG2-CB 4.07Å
291	F	72.8	Confident	76.9	Confident	46 Å²	46	72.6 Å²	72.6	20%	0.202	36%	0.362	C	S	.	.			trans	-98.3	-10.3	177.7	-62.6	-87.5	0	0	0	113	L8 A208 I214 L216 T281 V289 A293	L8-F291 HydrophobicContact CD2-CZ 4.1Å; A208-F291 HydrophobicContact CB-CD2 3.96Å; A208-F291 HydrophobicContact CB-CE1 4.33Å; A208-F291 HydrophobicContact CB-CE2 3.45Å; A208-F291 VanDerWaalsContact CB-CE2 3.45Å; A208-F291 HydrophobicContact CB-CZ 3.66Å; I214-F291 HydrophobicContact CD1-CB 4.28Å; I214-F291 WeakPolarHBondContact CD1-O 3.39Å; I214-F291 HydrophobicContact CG2-CD1 4.35Å; L216-F291 HydrophobicContact CD1-CE1 3.88Å; T281-F291 HydrophobicContact CG2-CD1 3.91Å; T281-F291 HydrophobicContact CG2-CE1 4.12Å; V289-F291 HydrophobicContact CB-CE2 4.17Å; V289-F291 HydrophobicContact CB-CZ 4.31Å; V289-F291 HydrophobicContact CG1-CE1 4.37Å; V289-F291 HydrophobicContact CG1-CE2 4.12Å; V289-F291 HydrophobicContact CG1-CZ 3.95Å; V289-F291 VanDerWaalsContact O-CD2 3.27Å; V289-F291 WeakPolarHBondContact O-CD2 3.49Å; V289-F291 VanDerWaalsContact O-CE2 3.32Å; V289-F291 WeakPolarHBondContact O-CE2 3.49Å; F291-A293 PolarHBondContact O-N 3.33Å
292	D	76.6	Confident	77.2	Confident	95 Å²	95	77.1 Å²	77.1	51%	0.508	39%	0.39	S	S	.	.			trans	-70.3	116.3	-174.8	-82.4	-16.8	0	0	0	113.1	I290 R294 Q295 I296	I290-D292 HydrophobicContact CG2-CB 4.12Å; D292-R294 VanDerWaalsContact C-N 3.29Å; D292-R294 PolarHBondContact O-N 3.48Å; D292-Q295 HydrophobicContact CB-CB 4.01Å; D292-Q295 HydrophobicContact CB-CG 3.76Å; D292-Q295 PolarHBondContact O-N 3.09Å; D292-Q295 PolarHBondContact OD2-NE2 3.05Å; D292-I296 VanDerWaalsContact O-CG1 3.23Å; D292-I296 WeakPolarHBondContact O-CG1 3.48Å; D292-I296 PolarHBondContact O-N 2.85Å
293	A	73.8	Confident	77.2	Confident	28 Å²	28	78 Å²	78	23%	0.231	40%	0.398	C	S	.	.	H	α-helix	trans	-56.9	-38.5	-177.6	0	0	0	0	0	114.1	R279 F291 C297	R279-A293 HydrophobicContact CG-CB 4.37Å; F291-A293 PolarHBondContact O-N 3.33Å; A293-C297 WeakPolarHBondContact O-CB 3.37Å; A293-C297 PolarHBondContact O-N 2.9Å
294	R	79.7	Confident	77.2	Confident	224 Å²	224	79.7 Å²	79.7	85%	0.845	40%	0.399	S	S	*	.	H	α-helix	trans	-70.2	-42	-179.5	-68.8	-175.1	178.1	178.1	-0.1	111.5	D292 C297 F298	D292-R294 VanDerWaalsContact C-N 3.29Å; D292-R294 PolarHBondContact O-N 3.48Å; R294-C297 PolarHBondContact O-N 3.38Å; R294-F298 PolarHBondContact O-N 3.43Å
295	Q	78.5	Confident	77.3	Confident	96 Å²	96	80.2 Å²	80.2	45%	0.449	40%	0.397	S	S	.	.	H	α-helix	trans	-66.4	-43.2	178	-59.9	-168.3	33.7	0	0	111	I290 D292 C297 F298 H299	I290-Q295 HydrophobicContact CG2-CB 4.07Å; D292-Q295 HydrophobicContact CB-CB 4.01Å; D292-Q295 HydrophobicContact CB-CG 3.76Å; D292-Q295 PolarHBondContact O-N 3.09Å; D292-Q295 PolarHBondContact OD2-NE2 3.05Å; Q295-C297 VanDerWaalsContact C-N 3.33Å; Q295-C297 PolarHBondContact O-N 2.94Å; Q295-F298 PolarHBondContact O-N 2.9Å; Q295-H299 VanDerWaalsContact O-CB 3.3Å; Q295-H299 WeakPolarHBondContact O-CB 3.46Å; Q295-H299 PolarHBondContact O-N 2.93Å
296	I	79.9	Confident	77.6	Confident	16 Å²	16	75.2 Å²	75.2	8%	0.082	38%	0.38	C	S	.	.	H	α-helix	trans	-57.8	-46	173.8	-64.1	164.3	0	0	0	110.6	R279 F282 D292 Y300	R279-I296 HydrophobicContact CB-CD1 4.41Å; F282-I296 HydrophobicContact CD1-CB 4.5Å; F282-I296 HydrophobicContact CD1-CG1 3.89Å; F282-I296 HydrophobicContact CE1-CB 4.4Å; F282-I296 HydrophobicContact CE1-CG1 3.85Å; D292-I296 VanDerWaalsContact O-CG1 3.23Å; D292-I296 WeakPolarHBondContact O-CG1 3.48Å; D292-I296 PolarHBondContact O-N 2.85Å; I296-Y300 WeakPolarHBondContact O-CB 3.48Å; I296-Y300 PolarHBondContact O-N 3.28Å
297	C	78.4	Confident	78	Confident	61 Å²	61	73.9 Å²	73.9	41%	0.412	37%	0.366	S	S	.	.	H	α-helix	trans	-63.4	-47.9	-179.9	-171.9	0	0	0	0	112.4	A293 R294 Q295 Y300 L301	A293-C297 WeakPolarHBondContact O-CB 3.37Å; A293-C297 PolarHBondContact O-N 2.9Å; R294-C297 PolarHBondContact O-N 3.38Å; Q295-C297 VanDerWaalsContact C-N 3.33Å; Q295-C297 PolarHBondContact O-N 2.94Å; C297-Y300 PolarHBondContact O-N 3.1Å; C297-L301 WeakPolarHBondContact O-CB 3.4Å; C297-L301 VanDerWaalsContact O-CG 3.31Å; C297-L301 WeakPolarHBondContact O-CG 3.29Å; C297-L301 PolarHBondContact O-N 3.12Å
298	F	82.4	Confident	78.5	Confident	152 Å²	152	72.9 Å²	72.9	67%	0.667	36%	0.355	S	S	*	.	H	α-helix	trans	-64.4	-42.3	-179.5	-170.4	-93.2	0	0	0	112	R294 Q295 Y300 L301 T302	R294-F298 PolarHBondContact O-N 3.43Å; Q295-F298 PolarHBondContact O-N 2.9Å; F298-Y300 VanDerWaalsContact C-N 3.34Å; F298-Y300 PolarHBondContact O-N 3.4Å; F298-L301 PolarHBondContact O-N 2.79Å; F298-T302 PolarHBondContact O-N 2.66Å; F298-T302 VanDerWaalsContact O-N 3.11Å; F298-T302 PolarHBondContact O-OG1 3.31Å
299	H	81.3	Confident	78.8	Confident	87 Å²	87	71.1 Å²	71.1	40%	0.403	35%	0.349	S	S	.	.	H	α-helix	trans	-60.3	-44.5	175.3	-176.8	73.1	0	0	0	111.7	F282 Q295 T302 T303	F282-H299 HydrophobicContact CE1-CB 4.27Å; F282-H299 HydrophobicContact CZ-CB 4.19Å; Q295-H299 VanDerWaalsContact O-CB 3.3Å; Q295-H299 WeakPolarHBondContact O-CB 3.46Å; Q295-H299 PolarHBondContact O-N 2.93Å; H299-T302 PolarHBondContact O-N 3.12Å; H299-T303 WeakPolarHBondContact O-CG2 3.32Å; H299-T303 PolarHBondContact O-N 2.87Å; H299-T303 PolarHBondContact O-OG1 2.93Å
300	Y	79.4	Confident	78.9	Confident	29 Å²	29	72.9 Å²	72.9	11%	0.114	36%	0.36	C	S	.	.	H	α-helix	trans	-69.8	-38.4	178.7	-179.9	-89.3	0	0	0	112.9	T275 K276 I296 C297 F298 T302 T303 W304 F305 D308	T275-Y300 HydrophobicContact CG2-CD2 4.14Å; T275-Y300 HydrophobicContact CG2-CE2 3.51Å; K276-Y300 HydrophobicContact CD-CD1 3.86Å; K276-Y300 HydrophobicContact CD-CE1 3.6Å; K276-Y300 HydrophobicContact CG-CE1 4.45Å; I296-Y300 WeakPolarHBondContact O-CB 3.48Å; I296-Y300 PolarHBondContact O-N 3.28Å; C297-Y300 PolarHBondContact O-N 3.1Å; F298-Y300 VanDerWaalsContact C-N 3.34Å; F298-Y300 PolarHBondContact O-N 3.4Å; Y300-T302 PolarHBondContact O-N 3.45Å; Y300-T303 PolarHBondContact O-N 2.95Å; Y300-W304 HydrophobicContact CE2-CB 4.3Å; Y300-W304 PolarHBondContact O-N 3.09Å; Y300-F305 HydrophobicContact CD1-CB 4.05Å; Y300-F305 HydrophobicContact CE1-CB 3.84Å; Y300-F305 HydrophobicContact CE1-CD2 4Å; Y300-F305 HydrophobicContact CE1-CG 4.41Å; Y300-F305 WeakPolarHBondContact O-CB 3.38Å; Y300-F305 PolarHBondContact O-N 3.22Å; Y300-D308 WeakPolarHBondContact OH-CB 3.42Å; Y300-D308 VanDerWaalsContact OH-CG 3.25Å; Y300-D308 PolarHBondContact OH-OD2 2.87Å
301	L	80.8	Confident	78.8	Confident	74 Å²	74	71.7 Å²	71.7	39%	0.387	35%	0.354	S	S	.	.	H	α-helix	trans	-60.1	-35.2	175.1	-78.5	169.4	0	0	0	112.4	C297 F298 F305	C297-L301 WeakPolarHBondContact O-CB 3.4Å; C297-L301 VanDerWaalsContact O-CG 3.31Å; C297-L301 WeakPolarHBondContact O-CG 3.29Å; C297-L301 PolarHBondContact O-N 3.12Å; F298-L301 PolarHBondContact O-N 2.79Å; L301-F305 HydrophobicContact CD2-CB 4.24Å; L301-F305 HydrophobicContact CD2-CD1 3.57Å; L301-F305 HydrophobicContact CD2-CD2 4.15Å; L301-F305 HydrophobicContact CD2-CE1 3.84Å; L301-F305 HydrophobicContact CD2-CE2 4.34Å; L301-F305 HydrophobicContact CD2-CG 3.71Å; L301-F305 HydrophobicContact CD2-CZ 4.19Å
302	T	83	Confident	78.9	Confident	100 Å²	100	70.1 Å²	70.1	61%	0.613	35%	0.35	S	S	*	.	H	α-helix	trans	-80.1	-27.6	-178	-53.6	0	0	0	0	112.9	F298 H299 Y300	F298-T302 PolarHBondContact O-N 2.66Å; F298-T302 VanDerWaalsContact O-N 3.11Å; F298-T302 PolarHBondContact O-OG1 3.31Å; H299-T302 PolarHBondContact O-N 3.12Å; Y300-T302 PolarHBondContact O-N 3.45Å
303	T	77.7	Confident	78.8	Confident	62 Å²	62	69 Å²	69	38%	0.38	34%	0.343	S	S	.	.	H	α-helix	trans	-101.1	-63.9	-168.9	49.2	0	0	0	0	113.4	H299 Y300	H299-T303 WeakPolarHBondContact O-CG2 3.32Å; H299-T303 PolarHBondContact O-N 2.87Å; H299-T303 PolarHBondContact O-OG1 2.93Å; Y300-T303 PolarHBondContact O-N 2.95Å
304	W	77.9	Confident	78.8	Confident	88 Å²	88	70.2 Å²	70.2	33%	0.333	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-6	-164.6	-65.6	104.8	0	0	0	114.4	Y300 I306 I307 D308 L341 Q345	Y300-W304 HydrophobicContact CE2-CB 4.3Å; Y300-W304 PolarHBondContact O-N 3.09Å; W304-I306 PolarHBondContact O-N 3.21Å; W304-I307 HydrophobicContact CE3-CD1 3.96Å; W304-I307 HydrophobicContact CZ3-CD1 4.12Å; W304-I307 PolarHBondContact O-N 2.83Å; W304-D308 WeakPolarHBondContact O-CB 3.22Å; W304-D308 PolarHBondContact O-N 3.26Å; W304-L341 HydrophobicContact CZ3-CD2 4.46Å; W304-L341 HydrophobicContact CZ3-CG 4.22Å; W304-Q345 HydrophobicContact CD2-CG 3.91Å; W304-Q345 HydrophobicContact CE3-CG 3.99Å; W304-Q345 HydrophobicContact CH2-CG 3.62Å; W304-Q345 HydrophobicContact CZ2-CG 3.57Å; W304-Q345 HydrophobicContact CZ3-CG 3.84Å
305	F	80.3	Confident	78.4	Confident	51 Å²	51	61.2 Å²	61.2	22%	0.224	32%	0.316	C	S	.	.	H	α-helix	trans	-58.4	-44.9	-173.9	169.9	-116.6	0	0	0	114.4	F272 Y300 L301 I307 D308 L309	F272-F305 HydrophobicContact CE2-CD2 4.19Å; F272-F305 HydrophobicContact CE2-CE2 4.17Å; F272-F305 HydrophobicContact CZ-CD2 4.39Å; F272-F305 AromaticContact CZ-CE2 3.93Å; F272-F305 HydrophobicContact CZ-CE2 3.93Å; Y300-F305 HydrophobicContact CD1-CB 4.05Å; Y300-F305 HydrophobicContact CE1-CB 3.84Å; Y300-F305 HydrophobicContact CE1-CD2 4Å; Y300-F305 HydrophobicContact CE1-CG 4.41Å; Y300-F305 WeakPolarHBondContact O-CB 3.38Å; Y300-F305 PolarHBondContact O-N 3.22Å; L301-F305 HydrophobicContact CD2-CB 4.24Å; L301-F305 HydrophobicContact CD2-CD1 3.57Å; L301-F305 HydrophobicContact CD2-CD2 4.15Å; L301-F305 HydrophobicContact CD2-CE1 3.84Å; L301-F305 HydrophobicContact CD2-CE2 4.34Å; L301-F305 HydrophobicContact CD2-CG 3.71Å; L301-F305 HydrophobicContact CD2-CZ 4.19Å; F305-I307 VanDerWaalsContact C-N 3.33Å; F305-I307 PolarHBondContact O-N 2.94Å; F305-D308 PolarHBondContact O-N 3.2Å; F305-L309 HydrophobicContact CE1-CD2 4.18Å; F305-L309 HydrophobicContact CE2-CB 4.3Å; F305-L309 HydrophobicContact CE2-CD2 4.47Å; F305-L309 HydrophobicContact CZ-CD2 3.91Å; F305-L309 VanDerWaalsContact O-CB 3.22Å; F305-L309 WeakPolarHBondContact O-CB 3.3Å; F305-L309 PolarHBondContact O-N 3.33Å
306	I	81.5	Confident	77.8	Confident	120 Å²	120	57.6 Å²	57.6	62%	0.615	30%	0.3	S	S	*	.	H	α-helix	trans	-62.9	-45.3	-174.7	-60.9	175.4	0	0	0	110.1	W304 L309 V310	W304-I306 PolarHBondContact O-N 3.21Å; I306-L309 PolarHBondContact O-N 3.46Å; I306-V310 VanDerWaalsContact O-CG2 3.31Å; I306-V310 WeakPolarHBondContact O-CG2 3.32Å; I306-V310 PolarHBondContact O-N 2.78Å
307	I	78.6	Confident	77	Confident	49 Å²	49	62.6 Å²	62.6	25%	0.251	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-45.4	179.9	-56.5	179.7	0	0	0	110	W304 F305 L309 A311 L341	W304-I307 HydrophobicContact CE3-CD1 3.96Å; W304-I307 HydrophobicContact CZ3-CD1 4.12Å; W304-I307 PolarHBondContact O-N 2.83Å; F305-I307 VanDerWaalsContact C-N 3.33Å; F305-I307 PolarHBondContact O-N 2.94Å; I307-L309 VanDerWaalsContact C-N 3.35Å; I307-L309 PolarHBondContact O-N 2.93Å; I307-A311 WeakPolarHBondContact O-CB 3.47Å; I307-A311 PolarHBondContact O-N 2.7Å; I307-L341 HydrophobicContact CD1-CD2 3.66Å; I307-L341 HydrophobicContact CG2-CD2 3.87Å
308	D	77.1	Confident	76.3	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-68.2	-33.4	-179.8	-82.6	12.6	0	0	0	113.2	F272 Y300 W304 F305 A312 R342	F272-D308 HydrophobicContact CD2-CB 4.19Å; F272-D308 HydrophobicContact CE2-CB 4.42Å; Y300-D308 WeakPolarHBondContact OH-CB 3.42Å; Y300-D308 VanDerWaalsContact OH-CG 3.25Å; Y300-D308 PolarHBondContact OH-OD2 2.87Å; W304-D308 WeakPolarHBondContact O-CB 3.22Å; W304-D308 PolarHBondContact O-N 3.26Å; F305-D308 PolarHBondContact O-N 3.2Å; D308-A312 WeakPolarHBondContact O-CB 3.48Å; D308-A312 PolarHBondContact O-N 2.88Å; D308-R342 IonicContact OD1-CZ 2.74Å; D308-R342 IonicContact OD1-NE 2.89Å; D308-R342 IonicContact OD1-NH1 2.83Å; D308-R342 PolarHBondContact OD1-NH1 3.42Å; D308-R342 IonicContact OD1-NH2 2.62Å; D308-R342 PolarHBondContact OD1-NH2 3.29Å; D308-R342 IonicContact OD2-CZ 3.68Å; D308-R342 IonicContact OD2-NH1 3.91Å; D308-R342 PolarHBondContact OD2-NH1 2.94Å; D308-R342 IonicContact OD2-NH2 3.8Å; D308-R342 PolarHBondContact OD2-NH2 3.36Å
309	L	80.6	Confident	75.1	Confident	72 Å²	72	62.6 Å²	62.6	38%	0.377	32%	0.321	S	S	.	.	H	α-helix	trans	-68.1	-51.5	176.3	176.9	66.4	0	0	0	110.8	F272 F305 I306 I307 A311 A312 L313	F272-L309 HydrophobicContact CZ-CD1 4.27Å; F305-L309 HydrophobicContact CE1-CD2 4.18Å; F305-L309 HydrophobicContact CE2-CB 4.3Å; F305-L309 HydrophobicContact CE2-CD2 4.47Å; F305-L309 HydrophobicContact CZ-CD2 3.91Å; F305-L309 VanDerWaalsContact O-CB 3.22Å; F305-L309 WeakPolarHBondContact O-CB 3.3Å; F305-L309 PolarHBondContact O-N 3.33Å; I306-L309 PolarHBondContact O-N 3.46Å; I307-L309 VanDerWaalsContact C-N 3.35Å; I307-L309 PolarHBondContact O-N 2.93Å; L309-A311 VanDerWaalsContact C-N 3.26Å; L309-A311 PolarHBondContact O-N 2.81Å; L309-A312 PolarHBondContact O-N 3.23Å; L309-A312 VanDerWaalsContact O-N 3.09Å; L309-L313 PolarHBondContact O-N 3.49Å
310	V	80.1	Confident	74	Confident	50 Å²	50	62 Å²	62	30%	0.303	33%	0.331	S	S	.	.	H	α-helix	trans	-60.9	-39.4	179.2	173.3	0	0	0	0	110.7	I306 A312 L313 V335 L338	I306-V310 VanDerWaalsContact O-CG2 3.31Å; I306-V310 WeakPolarHBondContact O-CG2 3.32Å; I306-V310 PolarHBondContact O-N 2.78Å; V310-A312 VanDerWaalsContact C-N 3.25Å; V310-A312 PolarHBondContact O-N 3.2Å; V310-L313 PolarHBondContact O-N 2.83Å; V310-V335 HydrophobicContact CG1-CG1 3.48Å; V310-V335 VanDerWaalsContact CG1-CG1 3.48Å; V310-L338 HydrophobicContact CG1-CD1 3.88Å
311	A	73.9	Confident	73.1	Confident	4 Å²	4	65.4 Å²	65.4	3%	0.033	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.8	177.6	0	0	0	0	0	114.6	I307 L309 R339	I307-A311 WeakPolarHBondContact O-CB 3.47Å; I307-A311 PolarHBondContact O-N 2.7Å; L309-A311 VanDerWaalsContact C-N 3.26Å; L309-A311 PolarHBondContact O-N 2.81Å; A311-R339 HydrophobicContact CB-CG 3.79Å; A311-R339 PolarHBondContact O-NE 3.33Å; A311-R339 PolarHBondContact O-NH2 2.95Å
312	A	74.8	Confident	71.9	Confident	13 Å²	13	71.2 Å²	71.2	11%	0.107	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	1	-177	0	0	0	0	0	113.9	F272 D308 L309 V310 P314	F272-A312 HydrophobicContact CB-CB 4.34Å; F272-A312 HydrophobicContact CG-CB 4.43Å; D308-A312 WeakPolarHBondContact O-CB 3.48Å; D308-A312 PolarHBondContact O-N 2.88Å; L309-A312 PolarHBondContact O-N 3.23Å; L309-A312 VanDerWaalsContact O-N 3.09Å; V310-A312 VanDerWaalsContact C-N 3.25Å; V310-A312 PolarHBondContact O-N 3.2Å; A312-P314 WeakPolarHBondContact O-CD 3.41Å
313	L	76	Confident	70.6	Confident	72 Å²	72	70.5 Å²	70.5	38%	0.377	37%	0.372	S	S	.	.			trans	-68.7	124.1	179.6	-69.4	173.3	0	0	0	111.3	L309 V310 F315	L309-L313 PolarHBondContact O-N 3.49Å; V310-L313 PolarHBondContact O-N 2.83Å; L313-F315 HydrophobicContact CB-CD2 4.14Å; L313-F315 HydrophobicContact CB-CE1 4.17Å; L313-F315 HydrophobicContact CB-CE2 3.58Å; L313-F315 HydrophobicContact CB-CZ 3.6Å; L313-F315 HydrophobicContact CD1-CE1 4.2Å; L313-F315 HydrophobicContact CD1-CE2 4.25Å; L313-F315 HydrophobicContact CD1-CZ 3.56Å; L313-F315 HydrophobicContact CG-CZ 4.23Å; L313-F315 WeakPolarHBondContact O-CD2 3.31Å; L313-F315 PolarHBondContact O-N 3.06Å; L313-F315 VanDerWaalsContact O-N 3.1Å
314	P	73.2	Confident	69.4	Low	53 Å²	53	73.1 Å²	73.1	34%	0.344	39%	0.393	S	S	.	.			trans	-84.8	78.8	-179.6	33.8	-33.8	0	0	0	110.6	A312 D316 L317	A312-P314 WeakPolarHBondContact O-CD 3.41Å; P314-D316 PolarHBondContact O-N 3.22Å; P314-L317 PolarHBondContact O-N 3.39Å
315	F	70.4	Confident	68.3	Low	35 Å²	35	72.2 Å²	72.2	15%	0.154	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.6	179.2	-62.2	-71.3	0	0	0	113	L313 L317 L318 V335	L313-F315 HydrophobicContact CB-CD2 4.14Å; L313-F315 HydrophobicContact CB-CE1 4.17Å; L313-F315 HydrophobicContact CB-CE2 3.58Å; L313-F315 HydrophobicContact CB-CZ 3.6Å; L313-F315 HydrophobicContact CD1-CE1 4.2Å; L313-F315 HydrophobicContact CD1-CE2 4.25Å; L313-F315 HydrophobicContact CD1-CZ 3.56Å; L313-F315 HydrophobicContact CG-CZ 4.23Å; L313-F315 WeakPolarHBondContact O-CD2 3.31Å; L313-F315 PolarHBondContact O-N 3.06Å; L313-F315 VanDerWaalsContact O-N 3.1Å; F315-L317 VanDerWaalsContact C-N 3.28Å; F315-L317 PolarHBondContact O-N 3.04Å; F315-L318 HydrophobicContact CD1-CD1 4.23Å; F315-L318 WeakPolarHBondContact O-CB 3.44Å; F315-L318 PolarHBondContact O-N 3.31Å; F315-V335 HydrophobicContact CE2-CB 4.39Å; F315-V335 HydrophobicContact CE2-CG1 4.32Å
316	D	65.8	Low	67.4	Low	20 Å²	20	73.1 Å²	73.1	11%	0.107	41%	0.407	C	S	.	.	H	α-helix	trans	-68.3	-26.4	177.5	-72.1	-16.2	0	0	0	112.5	P314 L318 Y319 A320 K333 R336	P314-D316 PolarHBondContact O-N 3.22Å; D316-L318 VanDerWaalsContact C-N 3.25Å; D316-L318 PolarHBondContact O-N 3.22Å; D316-Y319 WeakPolarHBondContact O-CB 2.97Å; D316-Y319 PolarHBondContact O-N 3.04Å; D316-A320 PolarHBondContact O-N 3.48Å; D316-K333 WeakPolarHBondContact OD1-CE 3.19Å; D316-K333 IonicContact OD1-NZ 3.07Å; D316-R336 IonicContact OD1-CZ 2.68Å; D316-R336 IonicContact OD1-NH1 2.78Å; D316-R336 IonicContact OD1-NH2 2.85Å; D316-R336 PolarHBondContact OD1-NH2 3.45Å; D316-R336 IonicContact OD2-CZ 3.66Å; D316-R336 VanDerWaalsContact OD2-CZ 3.22Å; D316-R336 IonicContact OD2-NH1 3.62Å; D316-R336 PolarHBondContact OD2-NH1 3.1Å; D316-R336 IonicContact OD2-NH2 2.68Å; D316-R336 PolarHBondContact OD2-NH2 3.09Å
317	L	64.2	Low	66.3	Low	121 Å²	121	72.4 Å²	72.4	63%	0.634	41%	0.412	S	S	*	.	H	α-helix	trans	-67.7	-27.9	174.6	-173.5	63	0	0	0	112	P314 F315 Y319 A320	P314-L317 PolarHBondContact O-N 3.39Å; F315-L317 VanDerWaalsContact C-N 3.28Å; F315-L317 PolarHBondContact O-N 3.04Å; L317-Y319 VanDerWaalsContact C-N 3.34Å; L317-A320 PolarHBondContact O-N 3.37Å
318	L	62.5	Low	65.6	Low	102 Å²	102	73.9 Å²	73.9	53%	0.534	42%	0.423	S	S	.	.	H	α-helix	trans	-72.8	-28.7	175.5	-63.8	170.6	0	0	0	111.9	F315 D316 A320 V321	F315-L318 HydrophobicContact CD1-CD1 4.23Å; F315-L318 WeakPolarHBondContact O-CB 3.44Å; F315-L318 PolarHBondContact O-N 3.31Å; D316-L318 VanDerWaalsContact C-N 3.25Å; D316-L318 PolarHBondContact O-N 3.22Å; L318-A320 VanDerWaalsContact C-N 3.34Å; L318-V321 PolarHBondContact O-N 3.28Å
319	Y	58.7	Low	65	Low	111 Å²	111	74.9 Å²	74.9	44%	0.435	43%	0.43	S	S	.	.	H	α-helix	trans	-65.7	-37.7	174.1	-169.5	-98.2	0	0	0	111.7	D316 L317 V321 K322 V326 V329	D316-Y319 WeakPolarHBondContact O-CB 2.97Å; D316-Y319 PolarHBondContact O-N 3.04Å; L317-Y319 VanDerWaalsContact C-N 3.34Å; Y319-V321 PolarHBondContact O-N 3.47Å; Y319-V321 VanDerWaalsContact O-N 3.16Å; Y319-K322 PolarHBondContact O-N 3.41Å; Y319-K322 VanDerWaalsContact O-N 3.13Å; Y319-V326 HydrophobicContact CE2-CG1 4.36Å; Y319-V329 HydrophobicContact CD2-CG1 4.11Å
320	A	58.7	Low	64.3	Low	76 Å²	76	73.2 Å²	73.2	63%	0.628	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-21	174.5	0	0	0	0	0	113.4	D316 L317 L318 K322	D316-A320 PolarHBondContact O-N 3.48Å; L317-A320 PolarHBondContact O-N 3.37Å; L318-A320 VanDerWaalsContact C-N 3.34Å; A320-K322 VanDerWaalsContact C-N 3.28Å; A320-K322 PolarHBondContact O-N 2.98Å
321	V	59.2	Low	63.8	Low	100 Å²	100	76.3 Å²	76.3	61%	0.606	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	5.7	179.5	-176.5	0	0	0	0	112.4	L318 Y319 V323	L318-V321 PolarHBondContact O-N 3.28Å; Y319-V321 PolarHBondContact O-N 3.47Å; Y319-V321 VanDerWaalsContact O-N 3.16Å; V321-V323 VanDerWaalsContact C-N 3.31Å; V321-V323 HydrophobicContact CG1-CG2 4.34Å; V321-V323 PolarHBondContact O-N 3.3Å
322	K	56.8	Low	63.6	Low	195 Å²	195	79.4 Å²	79.4	85%	0.848	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	44.8	175.1	-74.3	-174.8	173.4	-179.2	0	113.8	Y319 A320	Y319-K322 PolarHBondContact O-N 3.41Å; Y319-K322 VanDerWaalsContact O-N 3.13Å; A320-K322 VanDerWaalsContact C-N 3.28Å; A320-K322 PolarHBondContact O-N 2.98Å
323	V	55.1	Low	63.6	Low	85 Å²	85	79.7 Å²	79.7	52%	0.515	45%	0.448	S	S	.	.			trans	-78.4	129.4	169.9	-174	0	0	0	0	108.4	V321 V325	V321-V323 VanDerWaalsContact C-N 3.31Å; V321-V323 HydrophobicContact CG1-CG2 4.34Å; V321-V323 PolarHBondContact O-N 3.3Å; V323-V325 HydrophobicContact CG1-CG2 4.09Å; V323-V325 PolarHBondContact O-N 3.33Å
324	S	52.5	Low	63.6	Low	117 Å²	117	78.8 Å²	78.8	82%	0.818	45%	0.446	S	S	*	.	S	Bend	trans	-64.7	11.1	-171.6	54.4	0	0	0	0	116.5	V326	S324-V326 PolarHBondContact O-N 3.08Å
325	V	55.6	Low	63.9	Low	70 Å²	70	77.9 Å²	77.9	42%	0.424	44%	0.439	S	S	.	.			trans	-101	51.8	-177.8	-156.5	0	0	0	0	110.8	V323 S327 V328 V329	V323-V325 HydrophobicContact CG1-CG2 4.09Å; V323-V325 PolarHBondContact O-N 3.33Å; V325-S327 PolarHBondContact O-N 3.1Å; V325-V328 HydrophobicContact CG1-CB 3.62Å; V325-V328 HydrophobicContact CG1-CG2 3.53Å; V325-V328 PolarHBondContact O-N 3.37Å; V325-V329 VanDerWaalsContact O-CG2 3.3Å; V325-V329 WeakPolarHBondContact O-CG2 3.3Å; V325-V329 PolarHBondContact O-N 3.34Å
326	V	59.5	Low	64.3	Low	70 Å²	70	76.6 Å²	76.6	42%	0.424	43%	0.433	S	S	.	.	H	α-helix	trans	-55	-47.8	-173.1	178.6	0	0	0	0	111.3	Y319 S324 V328 V329 H330	Y319-V326 HydrophobicContact CE2-CG1 4.36Å; S324-V326 PolarHBondContact O-N 3.08Å; V326-V328 PolarHBondContact O-N 2.95Å; V326-V329 PolarHBondContact O-N 3.04Å; V326-H330 PolarHBondContact O-CD2 3.17Å; V326-H330 PolarHBondContact O-N 3.32Å; V326-H330 VanDerWaalsContact O-N 3.17Å
327	S	59.7	Low	65.1	Low	104 Å²	104	77.8 Å²	77.8	73%	0.727	44%	0.44	S	S	*	.	H	α-helix	trans	-61.6	-41.8	-177.5	-176.6	0	0	0	0	114.5	V325 V329 H330 L331	V325-S327 PolarHBondContact O-N 3.1Å; S327-V329 PolarHBondContact O-N 2.9Å; S327-H330 PolarHBondContact O-N 3.05Å; S327-L331 PolarHBondContact O-N 2.81Å
328	V	63.9	Low	65.9	Low	80 Å²	80	75.8 Å²	75.8	49%	0.485	43%	0.429	S	S	.	.	H	α-helix	trans	-71.5	-33.1	179.2	-179.1	0	0	0	0	111.2	V325 V326 H330 L331 L332	V325-V328 HydrophobicContact CG1-CB 3.62Å; V325-V328 HydrophobicContact CG1-CG2 3.53Å; V325-V328 PolarHBondContact O-N 3.37Å; V326-V328 PolarHBondContact O-N 2.95Å; V328-H330 VanDerWaalsContact C-N 3.34Å; V328-L331 PolarHBondContact O-N 3.03Å; V328-L332 HydrophobicContact CG1-CD1 4.23Å; V328-L332 WeakPolarHBondContact O-CG 3.3Å; V328-L332 PolarHBondContact O-N 2.89Å
329	V	64.5	Low	66.7	Low	23 Å²	23	71.1 Å²	71.1	14%	0.139	40%	0.404	C	S	.	.	H	α-helix	trans	-66	-36.6	176.8	175	0	0	0	0	111.4	Y319 V325 V326 S327 L332 K333	Y319-V329 HydrophobicContact CD2-CG1 4.11Å; V325-V329 VanDerWaalsContact O-CG2 3.3Å; V325-V329 WeakPolarHBondContact O-CG2 3.3Å; V325-V329 PolarHBondContact O-N 3.34Å; V326-V329 PolarHBondContact O-N 3.04Å; S327-V329 PolarHBondContact O-N 2.9Å; V329-L332 PolarHBondContact O-N 2.76Å; V329-K333 PolarHBondContact O-N 3.17Å
330	H	65.9	Low	67.8	Low	36 Å²	36	67.3 Å²	67.3	17%	0.167	39%	0.391	C	S	.	.	H	α-helix	trans	-65.3	-40.6	173.5	-79.7	-88.3	0	0	0	112.5	V326 S327 V328 L332 K333	V326-H330 PolarHBondContact O-CD2 3.17Å; V326-H330 PolarHBondContact O-N 3.32Å; V326-H330 VanDerWaalsContact O-N 3.17Å; S327-H330 PolarHBondContact O-N 3.05Å; V328-H330 VanDerWaalsContact C-N 3.34Å; H330-L332 PolarHBondContact O-N 3.03Å; H330-K333 WeakPolarHBondContact O-CB 3.32Å; H330-K333 PolarHBondContact O-N 3.48Å
331	L	68.5	Low	68.7	Low	115 Å²	115	66.4 Å²	66.4	60%	0.602	38%	0.376	S	S	*	.	H	α-helix	trans	-67.8	-35.2	176.6	-172.1	62.2	0	0	0	112.2	S327 V328 K333 T334	S327-L331 PolarHBondContact O-N 2.81Å; V328-L331 PolarHBondContact O-N 3.03Å; L331-K333 PolarHBondContact O-N 3.35Å; L331-T334 HydrophobicContact CD1-CG2 4.29Å; L331-T334 WeakPolarHBondContact O-CB 3.26Å; L331-T334 WeakPolarHBondContact O-CG2 3.39Å; L331-T334 PolarHBondContact O-N 3.32Å; L331-T334 PolarHBondContact O-OG1 3.35Å
332	L	70.3	Confident	69.5	Low	69 Å²	69	62.5 Å²	62.5	36%	0.361	35%	0.35	S	S	.	.	H	α-helix	trans	-62.5	-22.8	175.5	-76.5	167	0	0	0	113.2	V328 V329 H330 T334 V335	V328-L332 HydrophobicContact CG1-CD1 4.23Å; V328-L332 WeakPolarHBondContact O-CG 3.3Å; V328-L332 PolarHBondContact O-N 2.89Å; V329-L332 PolarHBondContact O-N 2.76Å; H330-L332 PolarHBondContact O-N 3.03Å; L332-T334 PolarHBondContact O-N 3.36Å; L332-V335 HydrophobicContact CD2-CG2 4.49Å; L332-V335 VanDerWaalsContact O-CB 3.28Å; L332-V335 WeakPolarHBondContact O-CB 3.37Å; L332-V335 VanDerWaalsContact O-CG2 3.3Å; L332-V335 WeakPolarHBondContact O-CG2 3.47Å; L332-V335 PolarHBondContact O-N 3.32Å
333	K	74.4	Confident	70.4	Confident	20 Å²	20	55.1 Å²	55.1	9%	0.087	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-62.2	-27.6	173.1	-63.5	-172.4	-179.5	-171.1	0	112.4	V240 V244 D316 V329 H330 L331 V335 R336	V240-K333 HydrophobicContact CG1-CB 4.36Å; V240-K333 WeakPolarHBondContact CG1-O 3.46Å; V244-K333 HydrophobicContact CG2-CB 4.35Å; D316-K333 WeakPolarHBondContact OD1-CE 3.19Å; D316-K333 IonicContact OD1-NZ 3.07Å; V329-K333 PolarHBondContact O-N 3.17Å; H330-K333 WeakPolarHBondContact O-CB 3.32Å; H330-K333 PolarHBondContact O-N 3.48Å; L331-K333 PolarHBondContact O-N 3.35Å; K333-V335 PolarHBondContact O-N 2.88Å; K333-R336 WeakPolarHBondContact O-CB 3.49Å; K333-R336 VanDerWaalsContact O-CG 3.23Å; K333-R336 WeakPolarHBondContact O-CG 3.49Å; K333-R336 PolarHBondContact O-N 3.33Å
334	T	77.4	Confident	71.2	Confident	52 Å²	52	56 Å²	56	32%	0.319	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-64	-22	178.1	66.6	0	0	0	0	113.2	V244 L331 L332 R336 L337	V244-T334 HydrophobicContact CG2-CG2 4.33Å; L331-T334 HydrophobicContact CD1-CG2 4.29Å; L331-T334 WeakPolarHBondContact O-CB 3.26Å; L331-T334 WeakPolarHBondContact O-CG2 3.39Å; L331-T334 PolarHBondContact O-N 3.32Å; L331-T334 PolarHBondContact O-OG1 3.35Å; L332-T334 PolarHBondContact O-N 3.36Å; T334-R336 PolarHBondContact O-N 2.87Å; T334-R336 VanDerWaalsContact O-N 3.08Å; T334-L337 VanDerWaalsContact O-CB 3.31Å; T334-L337 WeakPolarHBondContact O-CB 3.22Å; T334-L337 WeakPolarHBondContact O-CG 3.41Å; T334-L337 PolarHBondContact O-N 3.24Å
335	V	79.3	Confident	72	Confident	35 Å²	35	53.7 Å²	53.7	21%	0.212	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-57.6	-24.7	172.4	179.7	0	0	0	0	111.3	V310 F315 L332 K333 L337 L338	V310-V335 HydrophobicContact CG1-CG1 3.48Å; V310-V335 VanDerWaalsContact CG1-CG1 3.48Å; F315-V335 HydrophobicContact CE2-CB 4.39Å; F315-V335 HydrophobicContact CE2-CG1 4.32Å; L332-V335 HydrophobicContact CD2-CG2 4.49Å; L332-V335 VanDerWaalsContact O-CB 3.28Å; L332-V335 WeakPolarHBondContact O-CB 3.37Å; L332-V335 VanDerWaalsContact O-CG2 3.3Å; L332-V335 WeakPolarHBondContact O-CG2 3.47Å; L332-V335 PolarHBondContact O-N 3.32Å; K333-V335 PolarHBondContact O-N 2.88Å; V335-L337 PolarHBondContact O-N 3.03Å; V335-L338 HydrophobicContact CG1-CD1 3.88Å; V335-L338 VanDerWaalsContact O-CB 3.3Å; V335-L338 WeakPolarHBondContact O-CB 3.14Å; V335-L338 WeakPolarHBondContact O-CG 3.23Å; V335-L338 PolarHBondContact O-N 2.89Å; V335-L338 VanDerWaalsContact O-N 3.13Å
336	R	78.6	Confident	72.8	Confident	7 Å²	7	51.7 Å²	51.7	3%	0.026	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-61.8	-24.1	174	-64.3	-180	-178	166.1	17.8	113.2	V236 V240 E265 D316 K333 T334 L338 R339	V236-R336 HydrophobicContact CG1-CB 3.79Å; V240-R336 HydrophobicContact CG2-CB 4.14Å; E265-R336 IonicContact OE1-CZ 2.73Å; E265-R336 IonicContact OE1-NE 3.79Å; E265-R336 PolarHBondContact OE1-NE 3.45Å; E265-R336 IonicContact OE1-NH1 3.6Å; E265-R336 IonicContact OE1-NH2 3.92Å; E265-R336 PolarHBondContact OE1-NH2 3.2Å; D316-R336 IonicContact OD1-CZ 2.68Å; D316-R336 IonicContact OD1-NH1 2.78Å; D316-R336 IonicContact OD1-NH2 2.85Å; D316-R336 PolarHBondContact OD1-NH2 3.45Å; D316-R336 IonicContact OD2-CZ 3.66Å; D316-R336 VanDerWaalsContact OD2-CZ 3.22Å; D316-R336 IonicContact OD2-NH1 3.62Å; D316-R336 PolarHBondContact OD2-NH1 3.1Å; D316-R336 IonicContact OD2-NH2 2.68Å; D316-R336 PolarHBondContact OD2-NH2 3.09Å; K333-R336 WeakPolarHBondContact O-CB 3.49Å; K333-R336 VanDerWaalsContact O-CG 3.23Å; K333-R336 WeakPolarHBondContact O-CG 3.49Å; K333-R336 PolarHBondContact O-N 3.33Å; T334-R336 PolarHBondContact O-N 2.87Å; T334-R336 VanDerWaalsContact O-N 3.08Å; R336-L338 PolarHBondContact O-N 3.29Å; R336-R339 WeakPolarHBondContact O-CB 3.14Å; R336-R339 WeakPolarHBondContact O-CD 3.18Å; R336-R339 WeakPolarHBondContact O-CG 3.41Å; R336-R339 PolarHBondContact O-N 2.94Å
337	L	81.6	Confident	73.4	Confident	46 Å²	46	54 Å²	54	24%	0.241	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-65.5	-21	176.7	-64.3	177.1	0	0	0	112.5	P241 T334 V335 R339 L340 W371	P241-L337 HydrophobicContact CG-CD1 4.43Å; P241-L337 HydrophobicContact CG-CD2 4.24Å; T334-L337 VanDerWaalsContact O-CB 3.31Å; T334-L337 WeakPolarHBondContact O-CB 3.22Å; T334-L337 WeakPolarHBondContact O-CG 3.41Å; T334-L337 PolarHBondContact O-N 3.24Å; V335-L337 PolarHBondContact O-N 3.03Å; L337-R339 PolarHBondContact O-N 3.35Å; L337-L340 WeakPolarHBondContact O-CB 3.33Å; L337-L340 PolarHBondContact O-N 3.42Å; L337-W371 HydrophobicContact CD2-CZ2 3.96Å
338	L	81.2	Confident	73.9	Confident	78 Å²	78	55.2 Å²	55.2	41%	0.408	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-57.4	-19.9	170.8	-65.9	175.1	0	0	0	112.5	V310 V335 R336 L340 L341	V310-L338 HydrophobicContact CG1-CD1 3.88Å; V335-L338 HydrophobicContact CG1-CD1 3.88Å; V335-L338 VanDerWaalsContact O-CB 3.3Å; V335-L338 WeakPolarHBondContact O-CB 3.14Å; V335-L338 WeakPolarHBondContact O-CG 3.23Å; V335-L338 PolarHBondContact O-N 2.89Å; V335-L338 VanDerWaalsContact O-N 3.13Å; R336-L338 PolarHBondContact O-N 3.29Å; L338-L340 PolarHBondContact O-N 2.81Å; L338-L341 WeakPolarHBondContact O-CB 3.34Å; L338-L341 PolarHBondContact O-N 3.27Å
339	R	80.3	Confident	74.2	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.015	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-60.8	-26.7	173.8	-65.9	171.4	-175.2	174.4	3.9	112.6	T233 A311 R336 L337 L341 R342	T233-R339 HydrophobicContact CG2-CB 4.04Å; A311-R339 HydrophobicContact CB-CG 3.79Å; A311-R339 PolarHBondContact O-NE 3.33Å; A311-R339 PolarHBondContact O-NH2 2.95Å; R336-R339 WeakPolarHBondContact O-CB 3.14Å; R336-R339 WeakPolarHBondContact O-CD 3.18Å; R336-R339 WeakPolarHBondContact O-CG 3.41Å; R336-R339 PolarHBondContact O-N 2.94Å; L337-R339 PolarHBondContact O-N 3.35Å; R339-L341 PolarHBondContact O-N 3Å; R339-R342 VanDerWaalsContact O-CB 3.25Å; R339-R342 WeakPolarHBondContact O-CB 3.4Å; R339-R342 WeakPolarHBondContact O-CG 3.36Å; R339-R342 PolarHBondContact O-N 3.42Å; R339-R342 VanDerWaalsContact O-N 3.15Å
340	L	80.5	Confident	74.5	Confident	31 Å²	31	53.7 Å²	53.7	16%	0.162	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-65.1	-22.2	174.7	-72.4	170.1	0	0	0	112.8	A237 L337 L338 R342 L343 W371	A237-L340 HydrophobicContact CB-CD1 3.87Å; A237-L340 HydrophobicContact CB-CD2 3.95Å; A237-L340 HydrophobicContact CB-CG 4.2Å; L337-L340 WeakPolarHBondContact O-CB 3.33Å; L337-L340 PolarHBondContact O-N 3.42Å; L338-L340 PolarHBondContact O-N 2.81Å; L340-R342 PolarHBondContact O-N 3.33Å; L340-R342 VanDerWaalsContact O-N 3.13Å; L340-L343 HydrophobicContact CD2-CD1 3.6Å; L340-L343 HydrophobicContact CD2-CG 4.35Å; L340-L343 WeakPolarHBondContact O-CB 3.26Å; L340-L343 VanDerWaalsContact O-CG 3.24Å; L340-L343 WeakPolarHBondContact O-CG 3.33Å; L340-L343 PolarHBondContact O-N 3.26Å; L340-W371 HydrophobicContact CD1-CH2 3.38Å; L340-W371 HydrophobicContact CD1-CZ2 3.36Å
341	L	78.6	Confident	74.7	Confident	58 Å²	58	55.4 Å²	55.4	30%	0.304	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-20	175.5	-167	57.2	0	0	0	112.4	W304 I307 L338 R339 L343 L344	W304-L341 HydrophobicContact CZ3-CD2 4.46Å; W304-L341 HydrophobicContact CZ3-CG 4.22Å; I307-L341 HydrophobicContact CD1-CD2 3.66Å; I307-L341 HydrophobicContact CG2-CD2 3.87Å; L338-L341 WeakPolarHBondContact O-CB 3.34Å; L338-L341 PolarHBondContact O-N 3.27Å; R339-L341 PolarHBondContact O-N 3Å; L341-L343 PolarHBondContact O-N 2.91Å; L341-L344 HydrophobicContact CD1-CB 4.48Å; L341-L344 HydrophobicContact CD1-CD1 3.38Å; L341-L344 HydrophobicContact CD1-CG 4Å; L341-L344 WeakPolarHBondContact O-CB 3.47Å; L341-L344 PolarHBondContact O-N 3.27Å
342	R	75.3	Confident	74.9	Confident	17 Å²	17	51.9 Å²	51.9	6%	0.064	27%	0.268	C	S	.	.	H	α-helix	trans	-66.2	-21.6	171	-60.5	175.7	179.9	-87.8	3.3	112.7	D308 R339 L340 L344 Q345 K346	D308-R342 IonicContact OD1-CZ 2.74Å; D308-R342 IonicContact OD1-NE 2.89Å; D308-R342 IonicContact OD1-NH1 2.83Å; D308-R342 PolarHBondContact OD1-NH1 3.42Å; D308-R342 IonicContact OD1-NH2 2.62Å; D308-R342 PolarHBondContact OD1-NH2 3.29Å; D308-R342 IonicContact OD2-CZ 3.68Å; D308-R342 IonicContact OD2-NH1 3.91Å; D308-R342 PolarHBondContact OD2-NH1 2.94Å; D308-R342 IonicContact OD2-NH2 3.8Å; D308-R342 PolarHBondContact OD2-NH2 3.36Å; R339-R342 VanDerWaalsContact O-CB 3.25Å; R339-R342 WeakPolarHBondContact O-CB 3.4Å; R339-R342 WeakPolarHBondContact O-CG 3.36Å; R339-R342 PolarHBondContact O-N 3.42Å; R339-R342 VanDerWaalsContact O-N 3.15Å; L340-R342 PolarHBondContact O-N 3.33Å; L340-R342 VanDerWaalsContact O-N 3.13Å; R342-L344 VanDerWaalsContact C-N 3.31Å; R342-Q345 WeakPolarHBondContact O-CB 3.35Å; R342-Q345 PolarHBondContact O-N 3Å; R342-K346 PolarHBondContact O-N 2.79Å
343	L	75	Confident	75.3	Confident	41 Å²	41	54.2 Å²	54.2	22%	0.215	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-39.9	172.9	-59.7	-178.4	0	0	0	110.9	L230 L340 L341 Q345 K346 M347	L230-L343 HydrophobicContact CD1-CD2 3.05Å; L230-L343 HydrophobicContact CD1-CG 4.48Å; L340-L343 HydrophobicContact CD2-CD1 3.6Å; L340-L343 HydrophobicContact CD2-CG 4.35Å; L340-L343 WeakPolarHBondContact O-CB 3.26Å; L340-L343 VanDerWaalsContact O-CG 3.24Å; L340-L343 WeakPolarHBondContact O-CG 3.33Å; L340-L343 PolarHBondContact O-N 3.26Å; L341-L343 PolarHBondContact O-N 2.91Å; L343-Q345 VanDerWaalsContact C-N 3.29Å; L343-Q345 PolarHBondContact O-N 3.44Å; L343-K346 CarbonylContact O-C 3.54Å; L343-K346 PolarHBondContact O-N 3.08Å; L343-M347 PolarHBondContact O-N 3.43Å
344	L	72	Confident	75.5	Confident	104 Å²	104	54.8 Å²	54.8	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-62	-37.9	177.9	-60.5	-169.3	0	0	0	111.7	L341 R342 K346 M347	L341-L344 HydrophobicContact CD1-CB 4.48Å; L341-L344 HydrophobicContact CD1-CD1 3.38Å; L341-L344 HydrophobicContact CD1-CG 4Å; L341-L344 WeakPolarHBondContact O-CB 3.47Å; L341-L344 PolarHBondContact O-N 3.27Å; R342-L344 VanDerWaalsContact C-N 3.31Å; L344-K346 PolarHBondContact O-N 3.39Å; L344-M347 WeakPolarHBondContact O-CB 3.26Å; L344-M347 PolarHBondContact O-N 3.34Å
345	Q	69.8	Low	75.7	Confident	68 Å²	68	57.2 Å²	57.2	32%	0.318	30%	0.299	S	S	.	.	H	α-helix	trans	-62.3	-29.2	176	-63.9	173.2	5.3	0	0	112.9	W304 R342 L343	W304-Q345 HydrophobicContact CD2-CG 3.91Å; W304-Q345 HydrophobicContact CE3-CG 3.99Å; W304-Q345 HydrophobicContact CH2-CG 3.62Å; W304-Q345 HydrophobicContact CZ2-CG 3.57Å; W304-Q345 HydrophobicContact CZ3-CG 3.84Å; R342-Q345 WeakPolarHBondContact O-CB 3.35Å; R342-Q345 PolarHBondContact O-N 3Å; L343-Q345 VanDerWaalsContact C-N 3.29Å; L343-Q345 PolarHBondContact O-N 3.44Å
346	K	72.1	Confident	75.9	Confident	27 Å²	27	57.1 Å²	57.1	12%	0.117	30%	0.298	C	S	.	.	H	α-helix	trans	-100.7	-3.6	-176.9	-59.5	-174.2	-166.9	-169.7	0	113	D226 R342 L343 L344 D348 R349 Y350	D226-K346 VanDerWaalsContact CA-NZ 3.31Å; D226-K346 HydrophobicContact CB-CD 4.26Å; D226-K346 PolarHBondContact O-NZ 3.03Å; D226-K346 VanDerWaalsContact O-NZ 3.07Å; D226-K346 WeakPolarHBondContact OD1-CE 3.42Å; D226-K346 IonicContact OD1-NZ 2.67Å; D226-K346 PolarHBondContact OD1-NZ 3.08Å; R342-K346 PolarHBondContact O-N 2.79Å; L343-K346 CarbonylContact O-C 3.54Å; L343-K346 PolarHBondContact O-N 3.08Å; L344-K346 PolarHBondContact O-N 3.39Å; K346-D348 PolarHBondContact O-N 2.88Å; K346-R349 WeakPolarHBondContact O-CB 3.37Å; K346-R349 PolarHBondContact O-N 2.93Å; K346-Y350 HydrophobicContact CB-CD2 3.79Å; K346-Y350 HydrophobicContact CB-CE2 3.33Å; K346-Y350 HydrophobicContact CD-CE2 4.07Å; K346-Y350 HydrophobicContact CG-CE2 4.34Å; K346-Y350 WeakPolarHBondContact O-CD2 3.41Å; K346-Y350 PolarHBondContact O-N 2.98Å; K346-Y350 VanDerWaalsContact O-N 3.13Å
347	M	72.2	Confident	76.1	Confident	119 Å²	119	59 Å²	59	59%	0.586	31%	0.31	S	S	*	.	H	α-helix	trans	-57.8	-37.8	-176.8	-170.1	178.1	70.9	0	0	111.9	L343 L344 R349 Y350 S351	L343-M347 PolarHBondContact O-N 3.43Å; L344-M347 WeakPolarHBondContact O-CB 3.26Å; L344-M347 PolarHBondContact O-N 3.34Å; M347-R349 VanDerWaalsContact C-N 3.3Å; M347-R349 PolarHBondContact O-N 3.2Å; M347-Y350 PolarHBondContact O-N 2.97Å; M347-S351 VanDerWaalsContact O-CB 3.25Å; M347-S351 WeakPolarHBondContact O-CB 3.15Å; M347-S351 PolarHBondContact O-N 3.02Å
348	D	69.9	Low	76.3	Confident	129 Å²	129	58.8 Å²	58.8	69%	0.69	31%	0.309	S	S	*	.	H	α-helix	trans	-62.6	-34.9	177.5	-170.8	33.4	0	0	0	112.8	K346	K346-D348 PolarHBondContact O-N 2.88Å
349	R	70.3	Confident	76.6	Confident	60 Å²	60	59.1 Å²	59.1	23%	0.226	31%	0.314	C	S	.	.	H	α-helix	trans	-72.1	-41.9	174.3	-178.3	-178.1	-64.7	-168.1	-0.3	111.8	V3 H217 D226 K346 M347 Q352	V3-R349 HydrophobicContact CG2-CB 4.17Å; V3-R349 HydrophobicContact CG2-CG 3.76Å; H217-R349 PolarHBondContact O-NH2 2.98Å; D226-R349 IonicContact OD2-CZ 3.15Å; D226-R349 IonicContact OD2-NH1 2.66Å; D226-R349 PolarHBondContact OD2-NH1 3.25Å; D226-R349 IonicContact OD2-NH2 3.54Å; K346-R349 WeakPolarHBondContact O-CB 3.37Å; K346-R349 PolarHBondContact O-N 2.93Å; M347-R349 VanDerWaalsContact C-N 3.3Å; M347-R349 PolarHBondContact O-N 3.2Å; R349-Q352 WeakPolarHBondContact O-CG 3.42Å
350	Y	71.4	Confident	76.8	Confident	11 Å²	11	61.8 Å²	61.8	4%	0.043	33%	0.329	C	S	.	.	H	α-helix	trans	-76.7	-30.4	-176.4	-63	-52.8	0	0	0	112.8	W227 L230 K346 M347 Q352 H353 V356 L360	W227-Y350 HydrophobicContact CH2-CD1 4.49Å; W227-Y350 HydrophobicContact CH2-CE1 4.09Å; W227-Y350 HydrophobicContact CZ2-CD1 4.41Å; W227-Y350 AromaticContact CZ2-CE1 3.91Å; W227-Y350 HydrophobicContact CZ2-CE1 3.91Å; L230-Y350 HydrophobicContact CD2-CE1 4.34Å; L230-Y350 HydrophobicContact CD2-CE2 4.24Å; K346-Y350 HydrophobicContact CB-CD2 3.79Å; K346-Y350 HydrophobicContact CB-CE2 3.33Å; K346-Y350 HydrophobicContact CD-CE2 4.07Å; K346-Y350 HydrophobicContact CG-CE2 4.34Å; K346-Y350 WeakPolarHBondContact O-CD2 3.41Å; K346-Y350 PolarHBondContact O-N 2.98Å; K346-Y350 VanDerWaalsContact O-N 3.13Å; M347-Y350 PolarHBondContact O-N 2.97Å; Y350-Q352 PolarHBondContact O-N 3.09Å; Y350-H353 PolarHBondContact O-N 3.41Å; Y350-V356 HydrophobicContact CD1-CG1 3.98Å; Y350-V356 HydrophobicContact CG-CG1 4.4Å; Y350-L360 HydrophobicContact CD2-CD1 4.49Å
351	S	69.4	Low	77	Confident	72 Å²	72	61.2 Å²	61.2	50%	0.503	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.2	177.2	-174.8	0	0	0	0	113.9	M347 H353	M347-S351 VanDerWaalsContact O-CB 3.25Å; M347-S351 WeakPolarHBondContact O-CB 3.15Å; M347-S351 PolarHBondContact O-N 3.02Å; S351-H353 VanDerWaalsContact C-N 3.33Å
352	Q	73.1	Confident	77.5	Confident	41 Å²	41	62.2 Å²	62.2	19%	0.192	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-30.2	-178.2	-57	179.9	-8.2	0	0	112.5	M1 V3 R349 Y350	M1-Q352 VanDerWaalsContact O-CB 3.3Å; M1-Q352 WeakPolarHBondContact O-CB 3.44Å; M1-Q352 WeakPolarHBondContact O-CG 3.43Å; M1-Q352 PolarHBondContact O-NE2 3.37Å; M1-Q352 PolarHBondContact O-OE1 3.49Å; V3-Q352 VanDerWaalsContact CA-NE2 3.29Å; R349-Q352 WeakPolarHBondContact O-CG 3.42Å; Y350-Q352 PolarHBondContact O-N 3.09Å
353	H	78.7	Confident	78.2	Confident	118 Å²	118	63.3 Å²	63.3	55%	0.546	34%	0.34	S	S	.	.	S	Bend	trans	-112.4	103.8	-178.2	-64.1	85.6	0	0	0	109	Y350 S351 T355 V356 V357	Y350-H353 PolarHBondContact O-N 3.41Å; S351-H353 VanDerWaalsContact C-N 3.33Å; H353-T355 PolarHBondContact O-N 3.46Å; H353-V356 HydrophobicContact CB-CB 4Å; H353-V356 HydrophobicContact CB-CG2 3.67Å; H353-V356 WeakPolarHBondContact O-CB 3.43Å; H353-V356 PolarHBondContact O-N 2.97Å; H353-V357 PolarHBondContact O-N 3.04Å; H353-V357 VanDerWaalsContact O-N 3.13Å
354	S	78.5	Confident	78.8	Confident	33 Å²	33	65.3 Å²	65.3	23%	0.231	35%	0.35	C	S	.	.	H	α-helix	trans	-58.1	-33.6	-175.5	-59.6	0	0	0	0	113.3	V356 V357 L358 R480	S354-V356 VanDerWaalsContact C-N 3.35Å; S354-V356 PolarHBondContact O-N 3.2Å; S354-V357 PolarHBondContact O-N 2.93Å; S354-L358 PolarHBondContact O-N 3.15Å; S354-L358 VanDerWaalsContact O-N 3.09Å; S354-R480 PolarHBondContact OG-NH1 3.49Å
355	T	81.2	Confident	79.6	Confident	103 Å²	103	62 Å²	62	63%	0.632	33%	0.331	S	S	*	.	H	α-helix	trans	-63.7	-38.2	173.8	-45.8	0	0	0	0	112.5	H353 L358 T359	H353-T355 PolarHBondContact O-N 3.46Å; T355-L358 PolarHBondContact O-N 2.61Å; T355-T359 WeakPolarHBondContact O-CG2 3.5Å; T355-T359 PolarHBondContact O-N 2.93Å; T355-T359 PolarHBondContact O-OG1 3.26Å
356	V	84.4	Confident	80.7	Confident	33 Å²	33	61.2 Å²	61.2	20%	0.2	34%	0.336	C	S	.	.	H	α-helix	trans	-69.7	-36.2	177.9	178.6	0	0	0	0	110.9	W227 Y350 H353 S354 L358 T359 L360	W227-V356 HydrophobicContact CH2-CG1 4.04Å; Y350-V356 HydrophobicContact CD1-CG1 3.98Å; Y350-V356 HydrophobicContact CG-CG1 4.4Å; H353-V356 HydrophobicContact CB-CB 4Å; H353-V356 HydrophobicContact CB-CG2 3.67Å; H353-V356 WeakPolarHBondContact O-CB 3.43Å; H353-V356 PolarHBondContact O-N 2.97Å; S354-V356 VanDerWaalsContact C-N 3.35Å; S354-V356 PolarHBondContact O-N 3.2Å; V356-L358 VanDerWaalsContact C-N 3.35Å; V356-T359 WeakPolarHBondContact CA-OG1 3.46Å; V356-T359 PolarHBondContact O-OG1 3.03Å; V356-T359 VanDerWaalsContact O-OG1 3.04Å; V356-L360 VanDerWaalsContact O-CB 3.25Å; V356-L360 WeakPolarHBondContact O-CB 3.38Å; V356-L360 PolarHBondContact O-N 3.35Å
357	V	83.8	Confident	81.6	Confident	46 Å²	46	60.6 Å²	60.6	28%	0.279	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-44.5	173.9	178.1	0	0	0	0	110.7	H353 S354 L360 L361	H353-V357 PolarHBondContact O-N 3.04Å; H353-V357 VanDerWaalsContact O-N 3.13Å; S354-V357 PolarHBondContact O-N 2.93Å; V357-L360 PolarHBondContact O-N 3.49Å; V357-L361 WeakPolarHBondContact O-CB 3.07Å; V357-L361 PolarHBondContact O-N 3.44Å
358	L	84.7	Confident	82.6	Confident	41 Å²	41	56.7 Å²	56.7	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-46.7	177.8	-178.1	63.2	0	0	0	112.3	S354 T355 V356 L360 L361 M362 V474 I477	S354-L358 PolarHBondContact O-N 3.15Å; S354-L358 VanDerWaalsContact O-N 3.09Å; T355-L358 PolarHBondContact O-N 2.61Å; V356-L358 VanDerWaalsContact C-N 3.35Å; L358-L360 VanDerWaalsContact C-N 3.31Å; L358-L360 PolarHBondContact O-N 3.34Å; L358-L361 PolarHBondContact O-N 2.83Å; L358-M362 HydrophobicContact CD1-CE 3.99Å; L358-M362 HydrophobicContact CD1-CG 4.44Å; L358-M362 WeakPolarHBondContact O-CG 3.34Å; L358-M362 PolarHBondContact O-N 3.04Å; L358-V474 HydrophobicContact CD1-CG2 3.6Å; L358-V474 HydrophobicContact CD2-CG2 4.42Å; L358-I477 HydrophobicContact CB-CD1 3.73Å; L358-I477 HydrophobicContact CD1-CD1 4.46Å; L358-I477 HydrophobicContact CD2-CD1 4.04Å; L358-I477 HydrophobicContact CG-CD1 4.3Å
359	T	86.9	Confident	83.7	Confident	85 Å²	85	50.6 Å²	50.6	52%	0.521	28%	0.283	S	S	.	.	H	α-helix	trans	-64.4	-37.8	178.8	55.5	0	0	0	0	111.8	T355 V356 S363	T355-T359 WeakPolarHBondContact O-CG2 3.5Å; T355-T359 PolarHBondContact O-N 2.93Å; T355-T359 PolarHBondContact O-OG1 3.26Å; V356-T359 WeakPolarHBondContact CA-OG1 3.46Å; V356-T359 PolarHBondContact O-OG1 3.03Å; V356-T359 VanDerWaalsContact O-OG1 3.04Å; T359-S363 WeakPolarHBondContact O-CB 3.35Å; T359-S363 PolarHBondContact O-N 2.88Å
360	L	84.5	Confident	84.8	Confident	60 Å²	60	48.1 Å²	48.1	31%	0.314	27%	0.274	S	S	.	.	H	α-helix	trans	-65.2	-40.3	173.7	-175.1	144.6	0	0	0	111.9	Y350 V356 V357 L358 S363 M364	Y350-L360 HydrophobicContact CD2-CD1 4.49Å; V356-L360 VanDerWaalsContact O-CB 3.25Å; V356-L360 WeakPolarHBondContact O-CB 3.38Å; V356-L360 PolarHBondContact O-N 3.35Å; V357-L360 PolarHBondContact O-N 3.49Å; L358-L360 VanDerWaalsContact C-N 3.31Å; L358-L360 PolarHBondContact O-N 3.34Å; L360-S363 PolarHBondContact O-N 2.77Å; L360-M364 WeakPolarHBondContact O-CB 3.48Å; L360-M364 PolarHBondContact O-N 2.78Å
361	L	86.2	Confident	85.9	Confident	19 Å²	19	51.5 Å²	51.5	10%	0.099	29%	0.286	C	S	.	.	H	α-helix	trans	-65	-44.6	176.8	-174.7	68.1	0	0	0	111.9	V357 L358 S363 M364 F365 V470 N473	V357-L361 WeakPolarHBondContact O-CB 3.07Å; V357-L361 PolarHBondContact O-N 3.44Å; L358-L361 PolarHBondContact O-N 2.83Å; L361-S363 VanDerWaalsContact C-N 3.34Å; L361-M364 HydrophobicContact CD1-CE 3.84Å; L361-M364 PolarHBondContact O-N 2.92Å; L361-F365 PolarHBondContact O-N 3.27Å; L361-V470 HydrophobicContact CD2-CB 4.38Å; L361-V470 HydrophobicContact CD2-CG2 3.87Å; L361-V470 HydrophobicContact CG-CG2 4Å; L361-N473 HydrophobicContact CD2-CB 4.03Å; L361-N473 WeakPolarHBondContact CD2-ND2 3.42Å
362	M	89.1	Confident	87	Confident	80 Å²	80	49.2 Å²	49.2	39%	0.394	27%	0.268	S	S	.	.	H	α-helix	trans	-64	-40	175.4	-69.3	-61	-177.1	0	0	112	L358 F365 A366 V470 V474	L358-M362 HydrophobicContact CD1-CE 3.99Å; L358-M362 HydrophobicContact CD1-CG 4.44Å; L358-M362 WeakPolarHBondContact O-CG 3.34Å; L358-M362 PolarHBondContact O-N 3.04Å; M362-F365 WeakPolarHBondContact O-CB 3.21Å; M362-F365 PolarHBondContact O-N 2.97Å; M362-A366 PolarHBondContact O-N 3.48Å; M362-V470 HydrophobicContact CE-CG1 3.26Å; M362-V470 HydrophobicContact SD-CG1 3.93Å; M362-V474 HydrophobicContact CE-CG2 4.46Å
363	S	88.8	Confident	88	Confident	40 Å²	40	47.2 Å²	47.2	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-62.4	-41.9	173.7	176.9	0	0	0	0	111.8	F234 T359 L360 L361 A366 L367	F234-S363 WeakPolarHBondContact CD2-OG 3.49Å; F234-S363 WeakPolarHBondContact CE2-OG 3.29Å; T359-S363 WeakPolarHBondContact O-CB 3.35Å; T359-S363 PolarHBondContact O-N 2.88Å; L360-S363 PolarHBondContact O-N 2.77Å; L361-S363 VanDerWaalsContact C-N 3.34Å; S363-A366 PolarHBondContact O-N 3.21Å; S363-L367 WeakPolarHBondContact O-CG 3.47Å; S363-L367 PolarHBondContact O-N 3Å
364	M	87.6	Confident	88.6	Confident	83 Å²	83	41.8 Å²	41.8	41%	0.409	23%	0.234	S	C	.	.	H	α-helix	trans	-65.4	-38.8	174.6	-172.6	-175.4	80	0	0	112.2	L360 L361 L367 L368 M466	L360-M364 WeakPolarHBondContact O-CB 3.48Å; L360-M364 PolarHBondContact O-N 2.78Å; L361-M364 HydrophobicContact CD1-CE 3.84Å; L361-M364 PolarHBondContact O-N 2.92Å; M364-L367 PolarHBondContact O-N 3.45Å; M364-L368 WeakPolarHBondContact O-CB 3.28Å; M364-L368 PolarHBondContact O-N 2.81Å; M364-M466 HydrophobicContact CE-CE 3.6Å; M364-M466 HydrophobicContact CE-SD 4.07Å
365	F	90.3	Very high	89.2	Confident	33 Å²	33	43.7 Å²	43.7	15%	0.145	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-45.1	173.8	175.2	-103.8	0	0	0	111.8	L361 M362 L367 L368 A369 L434 L437 T438 M466	L361-F365 PolarHBondContact O-N 3.27Å; M362-F365 WeakPolarHBondContact O-CB 3.21Å; M362-F365 PolarHBondContact O-N 2.97Å; F365-L367 PolarHBondContact O-N 3.4Å; F365-L368 PolarHBondContact O-N 3.46Å; F365-A369 PolarHBondContact O-N 2.7Å; F365-L434 HydrophobicContact CE1-CD1 3.88Å; F365-L434 HydrophobicContact CZ-CD1 4.28Å; F365-L437 HydrophobicContact CE2-CB 3.92Å; F365-L437 HydrophobicContact CZ-CB 3.98Å; F365-T438 HydrophobicContact CE1-CG2 4.27Å; F365-T438 HydrophobicContact CZ-CG2 3.85Å; F365-M466 HydrophobicContact CB-CE 4.27Å; F365-M466 HydrophobicContact CD2-CB 4.32Å; F365-M466 HydrophobicContact CD2-CE 4.29Å
366	A	91.7	Very high	89.8	Confident	52 Å²	52	38.8 Å²	38.8	43%	0.43	21%	0.211	S	C	.	.	H	α-helix	trans	-63.2	-39.7	175	0	0	0	0	0	112.6	M362 S363 A369 H370	M362-A366 PolarHBondContact O-N 3.48Å; S363-A366 PolarHBondContact O-N 3.21Å; A366-A369 PolarHBondContact O-N 3.35Å; A366-H370 PolarHBondContact O-N 2.69Å
367	L	91.8	Very high	90.1	Very high	14 Å²	14	38.3 Å²	38.3	7%	0.073	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-42.9	174	-75	173.3	0	0	0	112.3	F234 A237 V238 S363 M364 F365 A369 H370 W371	F234-L367 HydrophobicContact CD2-CD1 3.69Å; F234-L367 HydrophobicContact CD2-CD2 4.1Å; F234-L367 HydrophobicContact CD2-CG 4.06Å; F234-L367 HydrophobicContact CE2-CD1 3.64Å; F234-L367 HydrophobicContact CE2-CD2 3.65Å; F234-L367 HydrophobicContact CE2-CG 3.51Å; F234-L367 HydrophobicContact CZ-CD2 4.15Å; F234-L367 HydrophobicContact CZ-CG 4.33Å; A237-L367 HydrophobicContact CB-CD1 4.19Å; A237-L367 HydrophobicContact CB-CD2 3.87Å; V238-L367 HydrophobicContact CG2-CD2 3.49Å; V238-L367 VanDerWaalsContact CG2-CD2 3.49Å; S363-L367 WeakPolarHBondContact O-CG 3.47Å; S363-L367 PolarHBondContact O-N 3Å; M364-L367 PolarHBondContact O-N 3.45Å; F365-L367 PolarHBondContact O-N 3.4Å; L367-A369 VanDerWaalsContact C-N 3.35Å; L367-H370 WeakPolarHBondContact O-CB 3.41Å; L367-H370 PolarHBondContact O-N 3.23Å; L367-W371 VanDerWaalsContact O-CD1 3.25Å; L367-W371 VanDerWaalsContact O-CG 3.25Å; L367-W371 PolarHBondContact O-N 3.1Å
368	L	92.1	Very high	90.3	Very high	38 Å²	38	39 Å²	39	20%	0.199	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-43.8	177.2	-172.5	146.3	0	0	0	110.4	M364 F365 H370 W371 M372 L437 I462 M466	M364-L368 WeakPolarHBondContact O-CB 3.28Å; M364-L368 PolarHBondContact O-N 2.81Å; F365-L368 PolarHBondContact O-N 3.46Å; L368-H370 VanDerWaalsContact C-N 3.31Å; L368-H370 PolarHBondContact O-N 2.88Å; L368-W371 PolarHBondContact O-N 3.34Å; L368-M372 HydrophobicContact CD2-CG 3.96Å; L368-M372 HydrophobicContact CG-CG 4.48Å; L368-M372 WeakPolarHBondContact O-CB 3.5Å; L368-M372 VanDerWaalsContact O-CG 3.26Å; L368-M372 WeakPolarHBondContact O-CG 3.32Å; L368-M372 PolarHBondContact O-N 3Å; L368-L437 HydrophobicContact CD2-CD1 3.76Å; L368-L437 HydrophobicContact CD2-CD2 3.56Å; L368-L437 HydrophobicContact CD2-CG 4.34Å; L368-I462 HydrophobicContact CD1-CG2 3.96Å; L368-I462 HydrophobicContact CD2-CG2 3.96Å; L368-M466 HydrophobicContact CD1-CG 4.41Å
369	A	93.6	Very high	90.5	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-58.2	-42.6	174.4	0	0	0	0	0	112.5	F365 A366 L367 A373 L430 T433 L434 L437	F365-A369 PolarHBondContact O-N 2.7Å; A366-A369 PolarHBondContact O-N 3.35Å; L367-A369 VanDerWaalsContact C-N 3.35Å; A369-A373 WeakPolarHBondContact O-CB 3.27Å; A369-A373 PolarHBondContact O-N 2.82Å; A369-L430 HydrophobicContact CB-CD1 4.41Å; A369-T433 PolarHBondContact O-OG1 3.13Å; A369-L434 HydrophobicContact CB-CD1 4.09Å; A369-L437 VanDerWaalsContact CA-CD1 3.43Å; A369-L437 HydrophobicContact CB-CD1 3.58Å
370	H	93.9	Very high	90.5	Very high	7 Å²	7	34.8 Å²	34.8	3%	0.032	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-46.8	174.2	176.4	62.4	0	0	0	112.5	V238 A366 L367 L368 M372 A373 C374 Y426	V238-H370 PolarHBondContact O-NE2 3.25Å; A366-H370 PolarHBondContact O-N 2.69Å; L367-H370 WeakPolarHBondContact O-CB 3.41Å; L367-H370 PolarHBondContact O-N 3.23Å; L368-H370 VanDerWaalsContact C-N 3.31Å; L368-H370 PolarHBondContact O-N 2.88Å; H370-M372 PolarHBondContact O-N 3.34Å; H370-A373 WeakPolarHBondContact O-CB 3.42Å; H370-A373 PolarHBondContact O-N 2.87Å; H370-A373 VanDerWaalsContact O-N 3.12Å; H370-C374 PolarHBondContact O-N 3.05Å; H370-C374 PolarHBondContact O-SG 2.93Å; H370-Y426 AromaticContact CE1-CE2 3.64Å; H370-Y426 AromaticContact ND1-CE2 3.5Å; H370-Y426 AromaticContact ND1-CZ 3.76Å; H370-Y426 PolarHBondContact ND1-OH 2.84Å; H370-Y426 VanDerWaalsContact ND1-OH 3.11Å
371	W	93.4	Very high	90.5	Very high	82 Å²	82	35 Å²	35	31%	0.311	18%	0.18	S	C	.	.	H	α-helix	trans	-64.1	-43.8	179.3	-68	0.4	0	0	0	112.2	A237 L337 L340 L367 L368 A373 C374 I375	A237-W371 HydrophobicContact CB-CZ2 4.35Å; A237-W371 PolarHBondContact O-NE1 3.45Å; L337-W371 HydrophobicContact CD2-CZ2 3.96Å; L340-W371 HydrophobicContact CD1-CH2 3.38Å; L340-W371 HydrophobicContact CD1-CZ2 3.36Å; L367-W371 VanDerWaalsContact O-CD1 3.25Å; L367-W371 VanDerWaalsContact O-CG 3.25Å; L367-W371 PolarHBondContact O-N 3.1Å; L368-W371 PolarHBondContact O-N 3.34Å; W371-A373 PolarHBondContact O-N 2.98Å; W371-C374 WeakPolarHBondContact O-CB 3.25Å; W371-C374 PolarHBondContact O-N 3.5Å; W371-I375 VanDerWaalsContact O-CG1 3.32Å; W371-I375 WeakPolarHBondContact O-CG1 3.34Å; W371-I375 PolarHBondContact O-N 2.85Å
372	M	93.3	Very high	90.3	Very high	24 Å²	24	39.8 Å²	39.8	12%	0.118	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-35.4	174.5	-62.8	-44.2	-79.2	0	0	110.6	L368 H370 I375 W376 T433 F455 I459 I462	L368-M372 HydrophobicContact CD2-CG 3.96Å; L368-M372 HydrophobicContact CG-CG 4.48Å; L368-M372 WeakPolarHBondContact O-CB 3.5Å; L368-M372 VanDerWaalsContact O-CG 3.26Å; L368-M372 WeakPolarHBondContact O-CG 3.32Å; L368-M372 PolarHBondContact O-N 3Å; H370-M372 PolarHBondContact O-N 3.34Å; M372-I375 PolarHBondContact O-N 2.92Å; M372-I375 HydrophobicContact SD-CD1 4.15Å; M372-W376 VanDerWaalsContact O-CB 3.31Å; M372-W376 WeakPolarHBondContact O-CB 3.42Å; M372-W376 PolarHBondContact O-N 2.84Å; M372-T433 HydrophobicContact CB-CG2 3.9Å; M372-F455 HydrophobicContact CB-CZ 4.35Å; M372-F455 HydrophobicContact CE-CD2 4.3Å; M372-F455 HydrophobicContact CE-CE2 3.38Å; M372-F455 HydrophobicContact CE-CZ 3.59Å; M372-F455 WeakPolarHBondContact O-CZ 3.32Å; M372-I459 HydrophobicContact CB-CD1 3.88Å; M372-I459 HydrophobicContact CB-CG1 4.35Å; M372-I459 HydrophobicContact CE-CD1 3.96Å; M372-I459 HydrophobicContact CE-CG1 3.36Å; M372-I459 HydrophobicContact CG-CD1 4.36Å; M372-I459 HydrophobicContact CG-CG1 4.29Å; M372-I462 HydrophobicContact CE-CD1 4.49Å
373	A	93.6	Very high	90	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-40.9	176	0	0	0	0	0	112.3	A369 H370 W371 W376 Y377 L430 T433	A369-A373 WeakPolarHBondContact O-CB 3.27Å; A369-A373 PolarHBondContact O-N 2.82Å; H370-A373 WeakPolarHBondContact O-CB 3.42Å; H370-A373 PolarHBondContact O-N 2.87Å; H370-A373 VanDerWaalsContact O-N 3.12Å; W371-A373 PolarHBondContact O-N 2.98Å; A373-W376 WeakPolarHBondContact O-CB 2.98Å; A373-W376 PolarHBondContact O-N 2.75Å; A373-Y377 PolarHBondContact O-N 3.29Å; A373-L430 HydrophobicContact CB-CB 4.25Å; A373-L430 HydrophobicContact CB-CD1 4.18Å; A373-T433 HydrophobicContact CB-CG2 4.12Å
374	C	91.6	Very high	89.5	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.02	19%	0.192	C	C	.	.	H	α-helix	trans	-60	-45.4	172.6	-76.1	0	0	0	0	111.8	P241 C245 H370 W371 Y377 I378	P241-C374 HydrophobicContact CB-CB 4.24Å; C245-C374 HydrophobicContact CB-CB 4.45Å; C245-C374 VanDerWaalsContact SG-CB 3.55Å; H370-C374 PolarHBondContact O-N 3.05Å; H370-C374 PolarHBondContact O-SG 2.93Å; W371-C374 WeakPolarHBondContact O-CB 3.25Å; W371-C374 PolarHBondContact O-N 3.5Å; C374-Y377 PolarHBondContact O-N 3.4Å; C374-I378 PolarHBondContact O-N 2.84Å
375	I	91.9	Very high	88.9	Confident	73 Å²	73	40.2 Å²	40.2	37%	0.374	20%	0.2	S	C	.	.	H	α-helix	trans	-66	-41.9	177.6	-63.6	164.2	0	0	0	110.7	W371 M372 Y377 I378 I379 F455	W371-I375 VanDerWaalsContact O-CG1 3.32Å; W371-I375 WeakPolarHBondContact O-CG1 3.34Å; W371-I375 PolarHBondContact O-N 2.85Å; M372-I375 PolarHBondContact O-N 2.92Å; M372-I375 HydrophobicContact SD-CD1 4.15Å; I375-Y377 VanDerWaalsContact C-N 3.27Å; I375-Y377 PolarHBondContact O-N 3Å; I375-I378 PolarHBondContact O-N 3.39Å; I375-I378 VanDerWaalsContact O-N 3.15Å; I375-I379 HydrophobicContact CG2-CD1 3.88Å; I375-I379 HydrophobicContact CG2-CG1 4.32Å; I375-I379 WeakPolarHBondContact O-CG1 3.44Å; I375-I379 PolarHBondContact O-N 3.21Å; I375-F455 HydrophobicContact CB-CE2 3.98Å; I375-F455 HydrophobicContact CB-CZ 3.98Å; I375-F455 HydrophobicContact CG2-CD2 4.14Å; I375-F455 HydrophobicContact CG2-CE2 3.39Å; I375-F455 HydrophobicContact CG2-CZ 3.82Å
376	W	93.1	Very high	88.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.5	-42.1	175.7	-177.8	-112.9	0	0	0	112.3	M372 A373 I379 G380 W395 F432 T433 V445 A447 E452 F455	M372-W376 VanDerWaalsContact O-CB 3.31Å; M372-W376 WeakPolarHBondContact O-CB 3.42Å; M372-W376 PolarHBondContact O-N 2.84Å; A373-W376 WeakPolarHBondContact O-CB 2.98Å; A373-W376 PolarHBondContact O-N 2.75Å; W376-I379 PolarHBondContact O-N 3Å; W376-G380 PolarHBondContact O-N 3.18Å; W376-G380 VanDerWaalsContact O-N 3.12Å; W376-W395 AromaticContact CD1-CE2 3.58Å; W376-W395 AromaticContact CD1-CH2 3.77Å; W376-W395 AromaticContact CD1-CZ2 3.45Å; W376-W395 VanDerWaalsContact CD1-CZ2 3.45Å; W376-W395 AromaticContact CD2-NE1 4Å; W376-W395 AromaticContact CE2-CD1 3.63Å; W376-W395 AromaticContact CE2-CD2 3.66Å; W376-W395 AromaticContact CE2-CE2 3.67Å; W376-W395 AromaticContact CE2-CG 3.7Å; W376-W395 AromaticContact CE2-NE1 3.6Å; W376-W395 HydrophobicContact CG-CZ2 4.3Å; W376-W395 HydrophobicContact CH2-CB 4.47Å; W376-W395 HydrophobicContact CH2-CG 4.26Å; W376-W395 HydrophobicContact CZ2-CB 3.75Å; W376-W395 AromaticContact CZ2-CD1 3.47Å; W376-W395 VanDerWaalsContact CZ2-CD1 3.47Å; W376-W395 AromaticContact CZ2-CD2 3.86Å; W376-W395 HydrophobicContact CZ2-CD2 3.86Å; W376-W395 AromaticContact CZ2-CG 3.41Å; W376-W395 HydrophobicContact CZ2-CG 3.41Å; W376-W395 VanDerWaalsContact CZ2-CG 3.41Å; W376-W395 AromaticContact CZ2-NE1 3.95Å; W376-W395 AromaticContact NE1-CD1 3.94Å; W376-W395 AromaticContact NE1-CD2 3.2Å; W376-W395 AromaticContact NE1-CE2 3.16Å; W376-W395 AromaticContact NE1-CE3 3.48Å; W376-W395 AromaticContact NE1-CG 3.78Å; W376-W395 AromaticContact NE1-CH2 3.75Å; W376-W395 AromaticContact NE1-CZ2 3.48Å; W376-W395 AromaticContact NE1-CZ3 3.72Å; W376-W395 AromaticContact NE1-NE1 3.6Å; W376-W395 PolarHBondContact O-NE1 3.18Å; W376-F432 AromaticContact CD1-CD1 3.96Å; W376-F432 AromaticContact CD2-CD1 3.67Å; W376-F432 HydrophobicContact CD2-CD1 3.67Å; W376-F432 AromaticContact CD2-CE1 3.67Å; W376-F432 HydrophobicContact CD2-CE1 3.67Å; W376-F432 AromaticContact CE2-CD1 3.48Å; W376-F432 VanDerWaalsContact CE2-CD1 3.48Å; W376-F432 AromaticContact CE2-CE1 3.62Å; W376-F432 HydrophobicContact CE3-CD1 4.28Å; W376-F432 AromaticContact CE3-CE1 3.8Å; W376-F432 HydrophobicContact CE3-CE1 3.8Å; W376-F432 AromaticContact CG-CD1 3.94Å; W376-F432 HydrophobicContact CG-CD1 3.94Å; W376-F432 HydrophobicContact CG-CE1 4.35Å; W376-F432 HydrophobicContact CH2-CD1 4.43Å; W376-F432 AromaticContact CH2-CE1 3.76Å; W376-F432 HydrophobicContact CH2-CE1 3.76Å; W376-F432 AromaticContact CH2-CZ 3.91Å; W376-F432 HydrophobicContact CH2-CZ 3.91Å; W376-F432 AromaticContact CZ2-CD1 3.9Å; W376-F432 HydrophobicContact CZ2-CD1 3.9Å; W376-F432 AromaticContact CZ2-CE1 3.68Å; W376-F432 HydrophobicContact CZ2-CE1 3.68Å; W376-F432 HydrophobicContact CZ2-CE2 4.47Å; W376-F432 HydrophobicContact CZ2-CG 4.39Å; W376-F432 AromaticContact CZ2-CZ 3.99Å; W376-F432 HydrophobicContact CZ2-CZ 3.99Å; W376-F432 AromaticContact CZ3-CE1 3.82Å; W376-F432 HydrophobicContact CZ3-CE1 3.82Å; W376-F432 HydrophobicContact CZ3-CZ 4.27Å; W376-F432 AromaticContact NE1-CD1 3.68Å; W376-T433 HydrophobicContact CB-CG2 4.36Å; W376-V445 HydrophobicContact CZ2-CG1 4.3Å; W376-A447 HydrophobicContact CH2-CB 4.03Å; W376-E452 HydrophobicContact CH2-CB 3.67Å; W376-E452 HydrophobicContact CH2-CG 3.69Å; W376-E452 HydrophobicContact CZ3-CB 3.73Å; W376-E452 HydrophobicContact CZ3-CG 3.82Å; W376-F455 HydrophobicContact CB-CE1 3.85Å; W376-F455 HydrophobicContact CB-CZ 4.36Å; W376-F455 HydrophobicContact CD2-CD1 4.4Å; W376-F455 HydrophobicContact CD2-CE1 4.22Å; W376-F455 AromaticContact CE3-CD1 3.32Å; W376-F455 HydrophobicContact CE3-CD1 3.32Å; W376-F455 AromaticContact CE3-CE1 3.53Å; W376-F455 HydrophobicContact CE3-CE1 3.53Å; W376-F455 HydrophobicContact CE3-CG 4.4Å; W376-F455 HydrophobicContact CG-CE1 4.4Å; W376-F455 AromaticContact CZ3-CD1 3.77Å; W376-F455 HydrophobicContact CZ3-CD1 3.77Å; W376-F455 HydrophobicContact CZ3-CE1 4.39Å
377	Y	90.6	Very high	87.2	Confident	23 Å²	23	43.4 Å²	43.4	9%	0.09	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-44.7	173.6	178.7	-111.6	0	0	0	113.5	C245 F246 A373 C374 I375 I379 G380 K381 W395 L396 V425	C245-Y377 HydrophobicContact CB-CD1 4.14Å; C245-Y377 VanDerWaalsContact O-CE1 3.29Å; C245-Y377 WeakPolarHBondContact O-CE1 3.28Å; F246-Y377 AromaticContact CD1-CD1 3.69Å; F246-Y377 HydrophobicContact CD1-CD1 3.69Å; F246-Y377 AromaticContact CD1-CE1 3.6Å; F246-Y377 HydrophobicContact CD1-CE1 3.6Å; F246-Y377 HydrophobicContact CD1-CG 4.18Å; F246-Y377 HydrophobicContact CD2-CD1 4.46Å; F246-Y377 AromaticContact CE1-CD1 3.4Å; F246-Y377 HydrophobicContact CE1-CD1 3.4Å; F246-Y377 VanDerWaalsContact CE1-CD1 3.4Å; F246-Y377 AromaticContact CE1-CD2 3.86Å; F246-Y377 HydrophobicContact CE1-CD2 3.86Å; F246-Y377 AromaticContact CE1-CE1 3.75Å; F246-Y377 HydrophobicContact CE1-CE1 3.75Å; F246-Y377 HydrophobicContact CE1-CE2 4.19Å; F246-Y377 AromaticContact CE1-CG 3.44Å; F246-Y377 HydrophobicContact CE1-CG 3.44Å; F246-Y377 VanDerWaalsContact CE1-CG 3.44Å; F246-Y377 HydrophobicContact CE2-CD1 4.21Å; F246-Y377 HydrophobicContact CG-CD1 4.22Å; F246-Y377 HydrophobicContact CG-CE1 4.2Å; F246-Y377 AromaticContact CZ-CD1 3.68Å; F246-Y377 HydrophobicContact CZ-CD1 3.68Å; F246-Y377 HydrophobicContact CZ-CD2 4.42Å; F246-Y377 HydrophobicContact CZ-CE1 4.44Å; F246-Y377 AromaticContact CZ-CG 3.65Å; F246-Y377 HydrophobicContact CZ-CG 3.65Å; A373-Y377 PolarHBondContact O-N 3.29Å; C374-Y377 PolarHBondContact O-N 3.4Å; I375-Y377 VanDerWaalsContact C-N 3.27Å; I375-Y377 PolarHBondContact O-N 3Å; Y377-I379 VanDerWaalsContact C-N 3.31Å; Y377-I379 PolarHBondContact O-N 3.47Å; Y377-G380 PolarHBondContact O-N 3.12Å; Y377-K381 HydrophobicContact CE1-CD 4.49Å; Y377-K381 WeakPolarHBondContact O-CB 3.1Å; Y377-K381 PolarHBondContact O-N 3.32Å; Y377-W395 HydrophobicContact CD2-CZ2 4.46Å; Y377-L396 HydrophobicContact CE2-CD2 4.46Å; Y377-V425 HydrophobicContact CD2-CG1 3.43Å; Y377-V425 VanDerWaalsContact CD2-CG1 3.43Å; Y377-V425 HydrophobicContact CE2-CG1 3.54Å; Y377-V425 HydrophobicContact CG-CG1 4.49Å
378	I	88.3	Confident	85.8	Confident	61 Å²	61	46.3 Å²	46.3	31%	0.313	25%	0.248	S	C	.	.	H	α-helix	trans	-59.1	-43.5	175.9	-70.8	169.1	0	0	0	110.9	C245 C374 I375 G380 K381 M382	C245-I378 HydrophobicContact CB-CD1 4.36Å; C245-I378 HydrophobicContact CB-CG1 4.19Å; C245-I378 WeakPolarHBondContact SG-CD1 3.36Å; C374-I378 PolarHBondContact O-N 2.84Å; I375-I378 PolarHBondContact O-N 3.39Å; I375-I378 VanDerWaalsContact O-N 3.15Å; I378-G380 VanDerWaalsContact C-N 3.35Å; I378-G380 PolarHBondContact O-N 2.96Å; I378-K381 PolarHBondContact O-N 2.79Å; I378-M382 HydrophobicContact CG2-CG 4.04Å; I378-M382 HydrophobicContact CG2-SD 3.78Å; I378-M382 WeakPolarHBondContact O-CB 3.37Å; I378-M382 WeakPolarHBondContact O-CG 3.46Å; I378-M382 PolarHBondContact O-N 3.08Å
379	I	89.2	Confident	84.2	Confident	34 Å²	34	54.3 Å²	54.3	17%	0.174	28%	0.277	C	S	.	.	H	α-helix	trans	-59	-48.4	178	-67.7	166.6	0	0	0	110	I375 W376 Y377 K381 M382 E383 E452 F455	I375-I379 HydrophobicContact CG2-CD1 3.88Å; I375-I379 HydrophobicContact CG2-CG1 4.32Å; I375-I379 WeakPolarHBondContact O-CG1 3.44Å; I375-I379 PolarHBondContact O-N 3.21Å; W376-I379 PolarHBondContact O-N 3Å; Y377-I379 VanDerWaalsContact C-N 3.31Å; Y377-I379 PolarHBondContact O-N 3.47Å; I379-K381 PolarHBondContact O-N 2.87Å; I379-M382 PolarHBondContact O-N 2.84Å; I379-E383 WeakPolarHBondContact O-CG 3.44Å; I379-E383 PolarHBondContact O-N 3.23Å; I379-E452 HydrophobicContact CG2-CG 4.33Å; I379-F455 HydrophobicContact CD1-CB 3.87Å; I379-F455 HydrophobicContact CD1-CD1 4.09Å; I379-F455 HydrophobicContact CD1-CD2 3.59Å; I379-F455 HydrophobicContact CD1-CE1 4.46Å; I379-F455 HydrophobicContact CD1-CE2 4.07Å; I379-F455 HydrophobicContact CD1-CG 3.58Å; I379-F455 HydrophobicContact CD1-CZ 4.45Å
380	G	86.9	Confident	82.4	Confident	4 Å²	4	61.7 Å²	61.7	4%	0.041	32%	0.317	C	S	.	.	H	α-helix	trans	-61.8	-40	177.4	0	0	0	0	0	113.4	W376 Y377 I378 M384	W376-G380 PolarHBondContact O-N 3.18Å; W376-G380 VanDerWaalsContact O-N 3.12Å; Y377-G380 PolarHBondContact O-N 3.12Å; I378-G380 VanDerWaalsContact C-N 3.35Å; I378-G380 PolarHBondContact O-N 2.96Å; G380-M384 WeakPolarHBondContact O-CB 3.43Å; G380-M384 PolarHBondContact O-N 3.08Å; G380-M384 VanDerWaalsContact O-N 3.12Å
381	K	83.4	Confident	81	Confident	63 Å²	63	66.7 Å²	66.7	27%	0.274	34%	0.335	S	S	.	.	H	α-helix	trans	-67	-45.2	177.2	-170.9	-177.7	178.9	-171.1	0	111.8	Y377 I378 I379 M384 E385	Y377-K381 HydrophobicContact CE1-CD 4.49Å; Y377-K381 WeakPolarHBondContact O-CB 3.1Å; Y377-K381 PolarHBondContact O-N 3.32Å; I378-K381 PolarHBondContact O-N 2.79Å; I379-K381 PolarHBondContact O-N 2.87Å; K381-M384 PolarHBondContact O-N 3.22Å; K381-E385 WeakPolarHBondContact CE-OE1 3.45Å; K381-E385 IonicContact NZ-OE1 3.52Å; K381-E385 WeakPolarHBondContact O-CG 3.27Å; K381-E385 PolarHBondContact O-N 2.94Å
382	M	83.4	Confident	79.8	Confident	121 Å²	121	68.9 Å²	68.9	60%	0.596	35%	0.353	S	S	*	.	H	α-helix	trans	-65.3	-40.6	178.9	-74	-175	68	0	0	112.2	I378 I379 M384 E385 A386	I378-M382 HydrophobicContact CG2-CG 4.04Å; I378-M382 HydrophobicContact CG2-SD 3.78Å; I378-M382 WeakPolarHBondContact O-CB 3.37Å; I378-M382 WeakPolarHBondContact O-CG 3.46Å; I378-M382 PolarHBondContact O-N 3.08Å; I379-M382 PolarHBondContact O-N 2.84Å; M382-M384 VanDerWaalsContact C-N 3.33Å; M382-E385 PolarHBondContact O-N 2.81Å; M382-A386 VanDerWaalsContact O-CB 3.26Å; M382-A386 WeakPolarHBondContact O-CB 3.33Å; M382-A386 PolarHBondContact O-N 3.33Å
383	E	82.8	Confident	79	Confident	41 Å²	41	72 Å²	72	19%	0.192	37%	0.37	C	S	.	.	H	α-helix	trans	-67.5	-34.3	176.7	-74.4	-164.1	144.5	0	0	112.4	I379 N387 T449 A451	I379-E383 WeakPolarHBondContact O-CG 3.44Å; I379-E383 PolarHBondContact O-N 3.23Å; E383-N387 PolarHBondContact O-N 2.9Å; E383-N387 PolarHBondContact O-ND2 3.04Å; E383-N387 VanDerWaalsContact O-ND2 3.15Å; E383-T449 VanDerWaalsContact CD-OG1 3.28Å; E383-T449 PolarHBondContact OE1-OG1 3.19Å; E383-T449 WeakPolarHBondContact OE2-CB 3.35Å; E383-T449 VanDerWaalsContact OE2-CG2 3.31Å; E383-T449 WeakPolarHBondContact OE2-CG2 3.25Å; E383-T449 PolarHBondContact OE2-OG1 2.89Å; E383-A451 WeakPolarHBondContact OE1-CB 3.45Å
384	M	77.8	Confident	78.5	Confident	48 Å²	48	72.4 Å²	72.4	24%	0.236	37%	0.373	C	S	.	.	H	α-helix	trans	-66.7	-45.5	173.4	-178.8	173	72.2	0	0	111.9	G380 K381 M382 N387 A388 L396 Y407	G380-M384 WeakPolarHBondContact O-CB 3.43Å; G380-M384 PolarHBondContact O-N 3.08Å; G380-M384 VanDerWaalsContact O-N 3.12Å; K381-M384 PolarHBondContact O-N 3.22Å; M382-M384 VanDerWaalsContact C-N 3.33Å; M384-N387 CarbonylContact O-C 3.57Å; M384-N387 PolarHBondContact O-N 3.34Å; M384-A388 PolarHBondContact O-N 3.25Å; M384-L396 HydrophobicContact CE-CD2 4.08Å; M384-L396 HydrophobicContact SD-CD2 4.08Å; M384-Y407 HydrophobicContact CE-CE1 4.34Å; M384-Y407 HydrophobicContact SD-CD1 4.06Å; M384-Y407 HydrophobicContact SD-CE1 4.14Å; M384-Y407 HydrophobicContact SD-CG 4.28Å
385	E	75.4	Confident	78.3	Confident	123 Å²	123	72.4 Å²	72.4	58%	0.575	37%	0.373	S	S	*	.	H	α-helix	trans	-66.2	-38.2	177.2	-73.6	175.3	-176.4	0	0	112.5	K381 M382	K381-E385 WeakPolarHBondContact CE-OE1 3.45Å; K381-E385 IonicContact NZ-OE1 3.52Å; K381-E385 WeakPolarHBondContact O-CG 3.27Å; K381-E385 PolarHBondContact O-N 2.94Å; M382-E385 PolarHBondContact O-N 2.81Å
386	A	75.8	Confident	78	Confident	79 Å²	79	69 Å²	69	65%	0.653	36%	0.356	S	S	*	.	H	α-helix	trans	-69	-32.1	179.7	0	0	0	0	0	113.1	M382	M382-A386 VanDerWaalsContact O-CB 3.26Å; M382-A386 WeakPolarHBondContact O-CB 3.33Å; M382-A386 PolarHBondContact O-N 3.33Å
387	N	70.4	Confident	77.5	Confident	72 Å²	72	70.9 Å²	70.9	39%	0.385	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	49.6	-175.9	-59.1	-65.7	0	0	0	112	E383 M384 Y389 W391	E383-N387 PolarHBondContact O-N 2.9Å; E383-N387 PolarHBondContact O-ND2 3.04Å; E383-N387 VanDerWaalsContact O-ND2 3.15Å; M384-N387 CarbonylContact O-C 3.57Å; M384-N387 PolarHBondContact O-N 3.34Å; N387-Y389 PolarHBondContact O-N 3.35Å; N387-W391 HydrophobicContact CB-CB 3.69Å; N387-W391 HydrophobicContact CB-CD2 4.5Å; N387-W391 HydrophobicContact CB-CG 4.04Å
388	A	61.9	Low	77.2	Confident	75 Å²	75	72.6 Å²	72.6	62%	0.62	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-14.4	-175.1	0	0	0	0	0	115.6	M384	M384-A388 PolarHBondContact O-N 3.25Å
389	Y	57.2	Low	77.1	Confident	206 Å²	206	70.4 Å²	70.4	81%	0.808	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	97.3	178.4	-76	-88	0	0	0	110	N387	N387-Y389 PolarHBondContact O-N 3.35Å
390	N	56.7	Low	76.7	Confident	157 Å²	157	68.8 Å²	68.8	84%	0.84	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	46	165.9	-52.5	-26.2	0	0	0	117.9
391	W	64.8	Low	76.5	Confident	111 Å²	111	75.9 Å²	75.9	42%	0.42	38%	0.383	S	S	.	.			trans	-121.1	94.7	175.5	-165.8	-81.2	0	0	0	113.4	N387 I393	N387-W391 HydrophobicContact CB-CB 3.69Å; N387-W391 HydrophobicContact CB-CD2 4.5Å; N387-W391 HydrophobicContact CB-CG 4.04Å; W391-I393 HydrophobicContact CD2-CD1 4.3Å; W391-I393 HydrophobicContact CH2-CD1 4.31Å; W391-I393 HydrophobicContact CZ2-CB 4.5Å; W391-I393 HydrophobicContact CZ2-CD1 3.9Å
392	D	67.5	Low	76.4	Confident	129 Å²	129	78.9 Å²	78.9	69%	0.69	39%	0.393	S	S	*	.			trans	-91.9	9.4	-178	-63.1	-27.4	0	0	0	114.3
393	I	76.3	Confident	76.4	Confident	90 Å²	90	76.7 Å²	76.7	46%	0.462	38%	0.383	S	S	.	.			trans	-89.6	-22.9	-165.5	-56.7	163.1	0	0	0	112.6	W391 N448	W391-I393 HydrophobicContact CD2-CD1 4.3Å; W391-I393 HydrophobicContact CH2-CD1 4.31Å; W391-I393 HydrophobicContact CZ2-CB 4.5Å; W391-I393 HydrophobicContact CZ2-CD1 3.9Å; I393-N448 HydrophobicContact CG2-CB 3.97Å; I393-N448 WeakPolarHBondContact O-CB 3.34Å; I393-N448 PolarHBondContact O-ND2 2.94Å
394	G	83.3	Confident	76.1	Confident	7 Å²	7	83.5 Å²	83.5	7%	0.072	42%	0.415	C	S	.	.	S	Bend	trans	-66.7	155.1	-176.9	0	0	0	0	0	113.6	L396 H397 E398 E452	G394-L396 PolarHBondContact O-N 2.81Å; G394-L396 VanDerWaalsContact O-N 3.15Å; G394-H397 PolarHBondContact O-N 2.97Å; G394-H397 VanDerWaalsContact O-N 3.13Å; G394-E398 PolarHBondContact O-N 3.09Å; G394-E452 WeakPolarHBondContact CA-OE1 3.45Å
395	W	87.7	Confident	76.2	Confident	4 Å²	4	83 Å²	83	2%	0.015	42%	0.416	C	S	.	.	H	α-helix	trans	-59.5	-30.9	-174.6	80.1	-94.2	0	0	0	113.4	W376 Y377 L399 V425 S429 V445 E452	W376-W395 AromaticContact CD1-CE2 3.58Å; W376-W395 AromaticContact CD1-CH2 3.77Å; W376-W395 AromaticContact CD1-CZ2 3.45Å; W376-W395 VanDerWaalsContact CD1-CZ2 3.45Å; W376-W395 AromaticContact CD2-NE1 4Å; W376-W395 AromaticContact CE2-CD1 3.63Å; W376-W395 AromaticContact CE2-CD2 3.66Å; W376-W395 AromaticContact CE2-CE2 3.67Å; W376-W395 AromaticContact CE2-CG 3.7Å; W376-W395 AromaticContact CE2-NE1 3.6Å; W376-W395 HydrophobicContact CG-CZ2 4.3Å; W376-W395 HydrophobicContact CH2-CB 4.47Å; W376-W395 HydrophobicContact CH2-CG 4.26Å; W376-W395 HydrophobicContact CZ2-CB 3.75Å; W376-W395 AromaticContact CZ2-CD1 3.47Å; W376-W395 VanDerWaalsContact CZ2-CD1 3.47Å; W376-W395 AromaticContact CZ2-CD2 3.86Å; W376-W395 HydrophobicContact CZ2-CD2 3.86Å; W376-W395 AromaticContact CZ2-CG 3.41Å; W376-W395 HydrophobicContact CZ2-CG 3.41Å; W376-W395 VanDerWaalsContact CZ2-CG 3.41Å; W376-W395 AromaticContact CZ2-NE1 3.95Å; W376-W395 AromaticContact NE1-CD1 3.94Å; W376-W395 AromaticContact NE1-CD2 3.2Å; W376-W395 AromaticContact NE1-CE2 3.16Å; W376-W395 AromaticContact NE1-CE3 3.48Å; W376-W395 AromaticContact NE1-CG 3.78Å; W376-W395 AromaticContact NE1-CH2 3.75Å; W376-W395 AromaticContact NE1-CZ2 3.48Å; W376-W395 AromaticContact NE1-CZ3 3.72Å; W376-W395 AromaticContact NE1-NE1 3.6Å; W376-W395 PolarHBondContact O-NE1 3.18Å; Y377-W395 HydrophobicContact CD2-CZ2 4.46Å; W395-L399 HydrophobicContact CZ3-CD2 3.93Å; W395-L399 WeakPolarHBondContact O-CB 3.23Å; W395-L399 PolarHBondContact O-N 2.81Å; W395-V425 HydrophobicContact CH2-CG1 4.02Å; W395-S429 WeakPolarHBondContact CH2-OG 2.96Å; W395-V445 HydrophobicContact CD2-CG1 4.39Å; W395-V445 HydrophobicContact CE3-CG1 3.69Å; W395-V445 HydrophobicContact CZ3-CG1 4.34Å; W395-E452 PolarHBondContact N-OE1 2.92Å
396	L	86.1	Confident	76.1	Confident	2 Å²	2	81 Å²	81	1%	0.01	41%	0.414	C	S	.	.	H	α-helix	trans	-71.1	-36	-179.3	-169.2	62.2	0	0	0	112.1	Y377 M384 G394 G400 Y407 V425	Y377-L396 HydrophobicContact CE2-CD2 4.46Å; M384-L396 HydrophobicContact CE-CD2 4.08Å; M384-L396 HydrophobicContact SD-CD2 4.08Å; G394-L396 PolarHBondContact O-N 2.81Å; G394-L396 VanDerWaalsContact O-N 3.15Å; L396-G400 PolarHBondContact O-N 3.37Å; L396-Y407 HydrophobicContact CD1-CE2 4.26Å; L396-Y407 WeakPolarHBondContact CD1-OH 3.34Å; L396-Y407 HydrophobicContact CD2-CE2 4.23Å; L396-Y407 HydrophobicContact CG-CE2 3.66Å; L396-Y407 WeakPolarHBondContact CG-OH 3.38Å; L396-V425 HydrophobicContact CD1-CG1 3.68Å; L396-V425 HydrophobicContact CD1-CG2 4.21Å
397	H	82.6	Confident	75.9	Confident	38 Å²	38	79.9 Å²	79.9	18%	0.176	39%	0.393	C	S	.	.	H	α-helix	trans	-70.8	-43.9	175.2	-67.4	88.8	0	0	0	111	G394 L399 G400 K401	G394-H397 PolarHBondContact O-N 2.97Å; G394-H397 VanDerWaalsContact O-N 3.13Å; H397-L399 VanDerWaalsContact C-N 3.28Å; H397-L399 PolarHBondContact O-N 3.48Å; H397-G400 PolarHBondContact O-N 2.92Å; H397-K401 PolarHBondContact O-N 2.99Å
398	E	83.8	Confident	75.4	Confident	60 Å²	60	78.9 Å²	78.9	28%	0.28	40%	0.395	S	S	.	.	H	α-helix	trans	-61	-38	174.9	178.9	60.3	-164.4	0	0	111.6	G394 K401 R402	G394-E398 PolarHBondContact O-N 3.09Å; E398-K401 PolarHBondContact O-N 3.32Å; E398-R402 WeakPolarHBondContact O-CG 3.09Å; E398-R402 PolarHBondContact O-N 3.13Å; E398-R402 VanDerWaalsContact O-N 3.11Å; E398-R402 IonicContact OE1-CZ 3.41Å; E398-R402 VanDerWaalsContact OE1-CZ 3.3Å; E398-R402 IonicContact OE1-NE 2.65Å; E398-R402 PolarHBondContact OE1-NE 3.46Å; E398-R402 IonicContact OE1-NH2 2.75Å; E398-R402 PolarHBondContact OE1-NH2 3.45Å
399	L	85.8	Confident	75.1	Confident	14 Å²	14	77.6 Å²	77.6	7%	0.073	39%	0.388	C	S	.	.	H	α-helix	trans	-64.2	-47.7	173.3	-176.7	70.5	0	0	0	111.9	W395 H397 K401 R402 L403 V425 A428 V445	W395-L399 HydrophobicContact CZ3-CD2 3.93Å; W395-L399 WeakPolarHBondContact O-CB 3.23Å; W395-L399 PolarHBondContact O-N 2.81Å; H397-L399 VanDerWaalsContact C-N 3.28Å; H397-L399 PolarHBondContact O-N 3.48Å; L399-K401 VanDerWaalsContact C-N 3.25Å; L399-K401 PolarHBondContact O-N 2.93Å; L399-R402 PolarHBondContact O-N 3.18Å; L399-R402 VanDerWaalsContact O-N 3.14Å; L399-L403 HydrophobicContact CD1-CD1 3.51Å; L399-L403 HydrophobicContact CG-CD1 3.98Å; L399-L403 WeakPolarHBondContact O-CD1 3.43Å; L399-L403 PolarHBondContact O-N 3.3Å; L399-V425 HydrophobicContact CD2-CG2 4.44Å; L399-A428 HydrophobicContact CD1-CB 3.86Å; L399-A428 HydrophobicContact CD2-CB 3.58Å; L399-A428 HydrophobicContact CG-CB 4.41Å; L399-V445 HydrophobicContact CD1-CG2 4.49Å
400	G	82.2	Confident	74.7	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-58.5	-38.1	177.6	0	0	0	0	0	112.5	L396 H397 L403 E404 S405	L396-G400 PolarHBondContact O-N 3.37Å; H397-G400 PolarHBondContact O-N 2.92Å; G400-L403 PolarHBondContact O-N 3.09Å; G400-E404 PolarHBondContact O-N 3.01Å; G400-S405 CarbonylContact O-C 3.31Å; G400-S405 VanDerWaalsContact O-C 3.31Å; G400-S405 PolarHBondContact O-N 3.26Å
401	K	81.9	Confident	74.3	Confident	154 Å²	154	73.7 Å²	73.7	67%	0.67	39%	0.386	S	S	*	.	H	α-helix	trans	-64	-41.9	174.8	-170.6	177.8	-177.7	178.5	0	112.6	H397 E398 L399 E404	H397-K401 PolarHBondContact O-N 2.99Å; E398-K401 PolarHBondContact O-N 3.32Å; L399-K401 VanDerWaalsContact C-N 3.25Å; L399-K401 PolarHBondContact O-N 2.93Å; K401-E404 PolarHBondContact O-N 3.12Å
402	R	82.1	Confident	73.5	Confident	125 Å²	125	74.1 Å²	74.1	47%	0.472	40%	0.397	S	S	.	.	H	α-helix	trans	-71.4	-29.6	178.2	-70.8	177.6	-172.1	-146.4	1.3	113.6	E398 L399 E404 N444	E398-R402 WeakPolarHBondContact O-CG 3.09Å; E398-R402 PolarHBondContact O-N 3.13Å; E398-R402 VanDerWaalsContact O-N 3.11Å; E398-R402 IonicContact OE1-CZ 3.41Å; E398-R402 VanDerWaalsContact OE1-CZ 3.3Å; E398-R402 IonicContact OE1-NE 2.65Å; E398-R402 PolarHBondContact OE1-NE 3.46Å; E398-R402 IonicContact OE1-NH2 2.75Å; E398-R402 PolarHBondContact OE1-NH2 3.45Å; L399-R402 PolarHBondContact O-N 3.18Å; L399-R402 VanDerWaalsContact O-N 3.14Å; R402-E404 VanDerWaalsContact C-N 3.31Å; R402-N444 PolarHBondContact NH1-O 2.87Å
403	L	82.8	Confident	72.7	Confident	75 Å²	75	74 Å²	74	39%	0.393	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	9.7	178.5	-88.1	76.5	0	0	0	113.1	L399 G400 S405 P420	L399-L403 HydrophobicContact CD1-CD1 3.51Å; L399-L403 HydrophobicContact CG-CD1 3.98Å; L399-L403 WeakPolarHBondContact O-CD1 3.43Å; L399-L403 PolarHBondContact O-N 3.3Å; G400-L403 PolarHBondContact O-N 3.09Å; L403-S405 PolarHBondContact O-N 3.41Å; L403-S405 PolarHBondContact O-OG 2.9Å; L403-P420 HydrophobicContact CD2-CB 4.28Å
404	E	77.2	Confident	71.5	Confident	184 Å²	184	77 Å²	77	86%	0.86	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	23.5	-178	-58.2	-179.5	167	0	0	113.7	G400 K401 R402 P406	G400-E404 PolarHBondContact O-N 3.01Å; K401-E404 PolarHBondContact O-N 3.12Å; R402-E404 VanDerWaalsContact C-N 3.31Å; E404-P406 VanDerWaalsContact C-CD 3.42Å; E404-P406 WeakPolarHBondContact O-CD 3.32Å
405	S	78.2	Confident	69.8	Low	37 Å²	37	81.4 Å²	81.4	26%	0.259	44%	0.443	S	S	.	.			trans	-127.4	63.9	178.1	42.2	0	0	0	0	109.7	G400 L403 P420	G400-S405 CarbonylContact O-C 3.31Å; G400-S405 VanDerWaalsContact O-C 3.31Å; G400-S405 PolarHBondContact O-N 3.26Å; L403-S405 PolarHBondContact O-N 3.41Å; L403-S405 PolarHBondContact O-OG 2.9Å; S405-P420 WeakPolarHBondContact O-CD 3.46Å
406	P	74	Confident	67.9	Low	82 Å²	82	88.8 Å²	88.8	53%	0.532	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-63.3	147.1	-177.4	27.3	-34.2	0	0	0	111.2	E404 A408	E404-P406 VanDerWaalsContact C-CD 3.42Å; E404-P406 WeakPolarHBondContact O-CD 3.32Å; P406-A408 PolarHBondContact O-N 2.75Å
407	Y	71.4	Confident	66.4	Low	56 Å²	56	91.7 Å²	91.7	22%	0.22	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-65.5	120.1	166.5	-70.3	-85.4	0	0	0	107.7	M384 L396 G409 G418 P420	M384-Y407 HydrophobicContact CE-CE1 4.34Å; M384-Y407 HydrophobicContact SD-CD1 4.06Å; M384-Y407 HydrophobicContact SD-CE1 4.14Å; M384-Y407 HydrophobicContact SD-CG 4.28Å; L396-Y407 HydrophobicContact CD1-CE2 4.26Å; L396-Y407 WeakPolarHBondContact CD1-OH 3.34Å; L396-Y407 HydrophobicContact CD2-CE2 4.23Å; L396-Y407 HydrophobicContact CG-CE2 3.66Å; L396-Y407 WeakPolarHBondContact CG-OH 3.38Å; Y407-G409 PolarHBondContact O-N 2.92Å; Y407-G418 VanDerWaalsContact CD1-O 3.23Å; Y407-G418 WeakPolarHBondContact CD1-O 3.27Å; Y407-P420 VanDerWaalsContact CE2-CD 3.43Å; Y407-P420 HydrophobicContact CE2-CG 4Å; Y407-P420 VanDerWaalsContact CZ-CD 3.47Å
408	A	60.3	Low	65.4	Low	51 Å²	51	91.4 Å²	91.4	42%	0.421	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-70.3	122.6	178	0	0	0	0	0	108.6	P406	P406-A408 PolarHBondContact O-N 2.75Å
409	G	56.3	Low	64.8	Low	47 Å²	47	89.9 Å²	89.9	49%	0.485	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-60.4	145.7	164.6	0	0	0	0	0	109.3	Y407 S411 D412	Y407-G409 PolarHBondContact O-N 2.92Å; G409-S411 PolarHBondContact O-N 2.85Å; G409-D412 PolarHBondContact O-N 3.49Å
410	M	48	Very low	64.5	Low	181 Å²	181	89.8 Å²	89.8	89%	0.892	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	2.9	179.3	-165.3	73.7	178.8	0	0	114.4
411	S	48.7	Very low	64.5	Low	101 Å²	101	92.5 Å²	92.5	71%	0.706	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-21.2	174.5	50.3	0	0	0	0	114.5	G409	G409-S411 PolarHBondContact O-N 2.85Å
412	D	47.7	Very low	64.5	Low	120 Å²	120	88.5 Å²	88.5	64%	0.642	54%	0.535	S	S	*	.			trans	-102.1	92	177.1	-74.8	-30.6	0	0	0	111.1	G409 N414	G409-D412 PolarHBondContact O-N 3.49Å; D412-N414 PolarHBondContact O-N 3.3Å
413	V	50.8	Low	64.7	Low	127 Å²	127	91.2 Å²	91.2	77%	0.77	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-3.6	-169.5	174.9	0	0	0	0	115.2
414	N	50.2	Low	64.9	Low	153 Å²	153	89.7 Å²	89.7	82%	0.818	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	13	-170.2	-74.1	-9.3	0	0	0	116.4	D412	D412-N414 PolarHBondContact O-N 3.3Å
415	T	47.1	Very low	65.5	Low	98 Å²	98	81 Å²	81	60%	0.601	50%	0.5	S	S	*	.			trans	-144.1	88.8	174.2	-44.4	0	0	0	0	112	G417	T415-G417 PolarHBondContact O-N 2.84Å
416	T	48	Very low	66.1	Low	159 Å²	159	81.6 Å²	81.6	98%	0.975	50%	0.497	S	S	*	.	S	Bend	trans	-74.7	46.9	176.7	46.4	0	0	0	0	113.2
417	G	55.5	Low	66.9	Low	64 Å²	64	82.4 Å²	82.4	66%	0.66	50%	0.496	S	S	*	.			trans	-168.7	39.9	-174	0	0	0	0	0	115.2	T415	T415-G417 PolarHBondContact O-N 2.84Å
418	G	60.8	Low	67.9	Low	31 Å²	31	80.3 Å²	80.3	32%	0.32	49%	0.49	S	S	.	.			trans	-85.2	122.3	174.4	0	0	0	0	0	111.8	Y407	Y407-G418 VanDerWaalsContact CD1-O 3.23Å; Y407-G418 WeakPolarHBondContact CD1-O 3.27Å
419	G	72.3	Confident	69.5	Low	29 Å²	29	77.9 Å²	77.9	30%	0.299	47%	0.47	S	S	.	.	S	Bend	trans	161.5	154.6	170.5	0	0	0	0	0	113.5
420	P	79.6	Confident	71.3	Confident	12 Å²	12	78 Å²	78	8%	0.078	46%	0.46	C	S	.	.			trans	-63.4	148.9	173.9	25.7	-34.4	0	0	0	112	L403 S405 Y407 V425	L403-P420 HydrophobicContact CD2-CB 4.28Å; S405-P420 WeakPolarHBondContact O-CD 3.46Å; Y407-P420 VanDerWaalsContact CE2-CD 3.43Å; Y407-P420 HydrophobicContact CE2-CG 4Å; Y407-P420 VanDerWaalsContact CZ-CD 3.47Å; P420-V425 HydrophobicContact CB-CG2 4Å; P420-V425 HydrophobicContact CG-CG2 3.59Å
421	A	82	Confident	73.4	Confident	56 Å²	56	73.2 Å²	73.2	46%	0.463	43%	0.432	S	S	.	.			trans	-56.1	140.3	177.8	0	0	0	0	0	112.1	R423 S424 V425	A421-R423 PolarHBondContact O-N 2.88Å; A421-S424 WeakPolarHBondContact O-CA 3.47Å; A421-S424 WeakPolarHBondContact O-CB 3.31Å; A421-S424 PolarHBondContact O-N 2.66Å; A421-V425 PolarHBondContact O-N 2.9Å; A421-V425 VanDerWaalsContact O-N 3.08Å
422	I	82	Confident	75.6	Confident	71 Å²	71	68.9 Å²	68.9	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-52.3	-36.4	-177.8	-156.4	75.7	0	0	0	112.9	F246 V425 Y426	F246-I422 HydrophobicContact CB-CD1 4.2Å; F246-I422 HydrophobicContact CB-CG1 4Å; F246-I422 HydrophobicContact CD1-CD1 3.76Å; F246-I422 HydrophobicContact CD1-CG1 3.8Å; F246-I422 HydrophobicContact CG-CD1 4.49Å; F246-I422 HydrophobicContact CG-CG1 4.35Å; I422-V425 PolarHBondContact O-N 2.91Å; I422-Y426 WeakPolarHBondContact O-CB 3.34Å; I422-Y426 PolarHBondContact O-N 2.76Å
423	R	85.1	Confident	77.7	Confident	181 Å²	181	63.2 Å²	63.2	68%	0.683	37%	0.37	S	S	*	.	H	α-helix	trans	-63.9	-43.1	175.6	170.9	172.5	44.9	-171.7	-10.2	111.9	A421 Y426 I427	A421-R423 PolarHBondContact O-N 2.88Å; R423-Y426 PolarHBondContact O-N 3.14Å; R423-I427 HydrophobicContact CG-CD1 3.8Å; R423-I427 WeakPolarHBondContact O-CB 3.22Å; R423-I427 WeakPolarHBondContact O-CD1 3.4Å; R423-I427 WeakPolarHBondContact O-CG1 3.34Å; R423-I427 PolarHBondContact O-N 2.89Å
424	S	87.6	Confident	79.8	Confident	43 Å²	43	60.7 Å²	60.7	30%	0.301	35%	0.352	S	S	.	.	H	α-helix	trans	-67.6	-40.1	178.7	-57.5	0	0	0	0	111	A421 I427 A428	A421-S424 WeakPolarHBondContact O-CA 3.47Å; A421-S424 WeakPolarHBondContact O-CB 3.31Å; A421-S424 PolarHBondContact O-N 2.66Å; S424-I427 PolarHBondContact O-N 3.24Å; S424-A428 VanDerWaalsContact O-CB 3.29Å; S424-A428 WeakPolarHBondContact O-CB 3.4Å; S424-A428 PolarHBondContact O-N 3.18Å
425	V	88.9	Confident	81.8	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-43.4	176.2	-178.3	0	0	0	0	111.6	F246 Y377 W395 L396 L399 P420 A421 I422 A428 S429	F246-V425 HydrophobicContact CE1-CG1 4.46Å; Y377-V425 HydrophobicContact CD2-CG1 3.43Å; Y377-V425 VanDerWaalsContact CD2-CG1 3.43Å; Y377-V425 HydrophobicContact CE2-CG1 3.54Å; Y377-V425 HydrophobicContact CG-CG1 4.49Å; W395-V425 HydrophobicContact CH2-CG1 4.02Å; L396-V425 HydrophobicContact CD1-CG1 3.68Å; L396-V425 HydrophobicContact CD1-CG2 4.21Å; L399-V425 HydrophobicContact CD2-CG2 4.44Å; P420-V425 HydrophobicContact CB-CG2 4Å; P420-V425 HydrophobicContact CG-CG2 3.59Å; A421-V425 PolarHBondContact O-N 2.9Å; A421-V425 VanDerWaalsContact O-N 3.08Å; I422-V425 PolarHBondContact O-N 2.91Å; V425-A428 PolarHBondContact O-N 2.97Å; V425-S429 WeakPolarHBondContact O-CB 3.32Å; V425-S429 PolarHBondContact O-N 3Å; V425-S429 PolarHBondContact O-OG 3.05Å
426	Y	91.3	Very high	83.9	Confident	50 Å²	50	50 Å²	50	20%	0.196	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-47.4	175	171.6	-106.3	0	0	0	112	Y242 F246 H370 I422 R423 A428 S429 L430	Y242-Y426 HydrophobicContact CD2-CD2 4.05Å; Y242-Y426 HydrophobicContact CD2-CE2 4.09Å; Y242-Y426 HydrophobicContact CE2-CD2 4.03Å; Y242-Y426 HydrophobicContact CE2-CE2 4.4Å; Y242-Y426 HydrophobicContact CE2-CG 4.11Å; F246-Y426 HydrophobicContact CD2-CD2 4.49Å; F246-Y426 AromaticContact CE2-CD2 3.75Å; F246-Y426 HydrophobicContact CE2-CD2 3.75Å; F246-Y426 AromaticContact CZ-CD2 3.79Å; F246-Y426 HydrophobicContact CZ-CD2 3.79Å; F246-Y426 HydrophobicContact CZ-CG 4.42Å; H370-Y426 AromaticContact CE1-CE2 3.64Å; H370-Y426 AromaticContact ND1-CE2 3.5Å; H370-Y426 AromaticContact ND1-CZ 3.76Å; H370-Y426 PolarHBondContact ND1-OH 2.84Å; H370-Y426 VanDerWaalsContact ND1-OH 3.11Å; I422-Y426 WeakPolarHBondContact O-CB 3.34Å; I422-Y426 PolarHBondContact O-N 2.76Å; R423-Y426 PolarHBondContact O-N 3.14Å; Y426-A428 PolarHBondContact O-N 3.42Å; Y426-S429 PolarHBondContact O-N 3.19Å; Y426-L430 HydrophobicContact CE1-CD2 4.42Å; Y426-L430 WeakPolarHBondContact O-CB 3.27Å; Y426-L430 PolarHBondContact O-N 2.94Å
427	I	91.9	Very high	86	Confident	99 Å²	99	42.5 Å²	42.5	51%	0.508	25%	0.247	S	C	.	.	H	α-helix	trans	-62.5	-43.2	178.5	-68.6	165.9	0	0	0	110.8	R423 S424 L430 Y431	R423-I427 HydrophobicContact CG-CD1 3.8Å; R423-I427 WeakPolarHBondContact O-CB 3.22Å; R423-I427 WeakPolarHBondContact O-CD1 3.4Å; R423-I427 WeakPolarHBondContact O-CG1 3.34Å; R423-I427 PolarHBondContact O-N 2.89Å; S424-I427 PolarHBondContact O-N 3.24Å; I427-L430 PolarHBondContact O-N 2.94Å; I427-Y431 WeakPolarHBondContact O-CB 3.33Å; I427-Y431 PolarHBondContact O-N 3.19Å
428	A	91.9	Very high	87.7	Confident	13 Å²	13	41.7 Å²	41.7	11%	0.107	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-40.6	177.2	0	0	0	0	0	112.1	L399 S424 V425 Y426 Y431 F432	L399-A428 HydrophobicContact CD1-CB 3.86Å; L399-A428 HydrophobicContact CD2-CB 3.58Å; L399-A428 HydrophobicContact CG-CB 4.41Å; S424-A428 VanDerWaalsContact O-CB 3.29Å; S424-A428 WeakPolarHBondContact O-CB 3.4Å; S424-A428 PolarHBondContact O-N 3.18Å; V425-A428 PolarHBondContact O-N 2.97Å; Y426-A428 PolarHBondContact O-N 3.42Å; A428-Y431 PolarHBondContact O-N 2.88Å; A428-F432 PolarHBondContact O-N 3.12Å
429	S	93.2	Very high	89.1	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.5	-46.6	175.6	-55.5	0	0	0	0	111.5	W395 V425 Y426 Y431 F432 T433	W395-S429 WeakPolarHBondContact CH2-OG 2.96Å; V425-S429 WeakPolarHBondContact O-CB 3.32Å; V425-S429 PolarHBondContact O-N 3Å; V425-S429 PolarHBondContact O-OG 3.05Å; Y426-S429 PolarHBondContact O-N 3.19Å; S429-Y431 VanDerWaalsContact C-N 3.34Å; S429-F432 PolarHBondContact O-N 2.79Å; S429-T433 WeakPolarHBondContact O-CG2 3.27Å; S429-T433 PolarHBondContact O-N 2.67Å; S429-T433 PolarHBondContact O-OG1 3.38Å
430	L	93.7	Very high	90.1	Very high	50 Å²	50	47.3 Å²	47.3	26%	0.262	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-38.5	178.2	-173.4	67	0	0	0	111.7	A369 A373 Y426 I427 T433 L434	A369-L430 HydrophobicContact CB-CD1 4.41Å; A373-L430 HydrophobicContact CB-CB 4.25Å; A373-L430 HydrophobicContact CB-CD1 4.18Å; Y426-L430 HydrophobicContact CE1-CD2 4.42Å; Y426-L430 WeakPolarHBondContact O-CB 3.27Å; Y426-L430 PolarHBondContact O-N 2.94Å; I427-L430 PolarHBondContact O-N 2.94Å; L430-T433 PolarHBondContact O-N 2.92Å; L430-T433 PolarHBondContact O-OG1 3.39Å; L430-L434 WeakPolarHBondContact O-CB 3.3Å; L430-L434 PolarHBondContact O-N 3.4Å
431	Y	93.8	Very high	90.4	Very high	79 Å²	79	49.2 Å²	49.2	31%	0.31	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-43.8	174.7	168.5	-99.4	0	0	0	111.7	I427 A428 S429 S435 F442 N444	I427-Y431 WeakPolarHBondContact O-CB 3.33Å; I427-Y431 PolarHBondContact O-N 3.19Å; A428-Y431 PolarHBondContact O-N 2.88Å; S429-Y431 VanDerWaalsContact C-N 3.34Å; Y431-S435 VanDerWaalsContact O-CB 3.25Å; Y431-S435 WeakPolarHBondContact O-CB 3.39Å; Y431-S435 PolarHBondContact O-N 3.41Å; Y431-S435 PolarHBondContact O-OG 3.46Å; Y431-F442 AromaticContact CE2-CD2 3.73Å; Y431-F442 HydrophobicContact CE2-CD2 3.73Å; Y431-F442 AromaticContact CE2-CE2 3.98Å; Y431-F442 HydrophobicContact CE2-CE2 3.98Å; Y431-F442 AromaticContact CZ-CD2 3.56Å; Y431-F442 WeakPolarHBondContact OH-CB 3.36Å; Y431-F442 WeakPolarHBondContact OH-CD2 3.45Å; Y431-F442 WeakPolarHBondContact OH-CG 3.17Å; Y431-N444 HydrophobicContact CE1-CB 4.11Å; Y431-N444 PolarHBondContact OH-ND2 3.21Å
432	F	93.2	Very high	90.7	Very high	11 Å²	11	52.4 Å²	52.4	5%	0.048	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-48.8	175.8	174.5	-106.8	0	0	0	112.1	W376 A428 S429 S435 S436 V445 S456	W376-F432 AromaticContact CD1-CD1 3.96Å; W376-F432 AromaticContact CD2-CD1 3.67Å; W376-F432 HydrophobicContact CD2-CD1 3.67Å; W376-F432 AromaticContact CD2-CE1 3.67Å; W376-F432 HydrophobicContact CD2-CE1 3.67Å; W376-F432 AromaticContact CE2-CD1 3.48Å; W376-F432 VanDerWaalsContact CE2-CD1 3.48Å; W376-F432 AromaticContact CE2-CE1 3.62Å; W376-F432 HydrophobicContact CE3-CD1 4.28Å; W376-F432 AromaticContact CE3-CE1 3.8Å; W376-F432 HydrophobicContact CE3-CE1 3.8Å; W376-F432 AromaticContact CG-CD1 3.94Å; W376-F432 HydrophobicContact CG-CD1 3.94Å; W376-F432 HydrophobicContact CG-CE1 4.35Å; W376-F432 HydrophobicContact CH2-CD1 4.43Å; W376-F432 AromaticContact CH2-CE1 3.76Å; W376-F432 HydrophobicContact CH2-CE1 3.76Å; W376-F432 AromaticContact CH2-CZ 3.91Å; W376-F432 HydrophobicContact CH2-CZ 3.91Å; W376-F432 AromaticContact CZ2-CD1 3.9Å; W376-F432 HydrophobicContact CZ2-CD1 3.9Å; W376-F432 AromaticContact CZ2-CE1 3.68Å; W376-F432 HydrophobicContact CZ2-CE1 3.68Å; W376-F432 HydrophobicContact CZ2-CE2 4.47Å; W376-F432 HydrophobicContact CZ2-CG 4.39Å; W376-F432 AromaticContact CZ2-CZ 3.99Å; W376-F432 HydrophobicContact CZ2-CZ 3.99Å; W376-F432 AromaticContact CZ3-CE1 3.82Å; W376-F432 HydrophobicContact CZ3-CE1 3.82Å; W376-F432 HydrophobicContact CZ3-CZ 4.27Å; W376-F432 AromaticContact NE1-CD1 3.68Å; A428-F432 PolarHBondContact O-N 3.12Å; S429-F432 PolarHBondContact O-N 2.79Å; F432-S435 PolarHBondContact O-OG 3.37Å; F432-S436 WeakPolarHBondContact O-CB 3.38Å; F432-S436 PolarHBondContact O-N 3.25Å; F432-S436 PolarHBondContact O-OG 3.27Å; F432-V445 HydrophobicContact CB-CB 4.11Å; F432-V445 HydrophobicContact CB-CG1 3.97Å; F432-V445 HydrophobicContact CD2-CB 4.1Å; F432-V445 HydrophobicContact CD2-CG1 3.99Å; F432-V445 VanDerWaalsContact CD2-O 3.23Å; F432-V445 WeakPolarHBondContact CD2-O 3.08Å; F432-V445 WeakPolarHBondContact CE2-O 2.98Å; F432-V445 HydrophobicContact CG-CB 4.4Å; F432-V445 HydrophobicContact CG-CG1 4.04Å; F432-S456 WeakPolarHBondContact CZ-OG 3.17Å
433	T	93.8	Very high	90.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-70.4	-38.8	-178.3	60.9	0	0	0	0	112.3	A369 M372 A373 W376 S429 L430 S436 L437 I459	A369-T433 PolarHBondContact O-OG1 3.13Å; M372-T433 HydrophobicContact CB-CG2 3.9Å; A373-T433 HydrophobicContact CB-CG2 4.12Å; W376-T433 HydrophobicContact CB-CG2 4.36Å; S429-T433 WeakPolarHBondContact O-CG2 3.27Å; S429-T433 PolarHBondContact O-N 2.67Å; S429-T433 PolarHBondContact O-OG1 3.38Å; L430-T433 PolarHBondContact O-N 2.92Å; L430-T433 PolarHBondContact O-OG1 3.39Å; T433-S436 PolarHBondContact O-N 3.3Å; T433-L437 VanDerWaalsContact O-CB 3.25Å; T433-L437 WeakPolarHBondContact O-CB 3.2Å; T433-L437 WeakPolarHBondContact O-CD1 3.44Å; T433-L437 WeakPolarHBondContact O-CG 3.23Å; T433-L437 PolarHBondContact O-N 3.15Å; T433-I459 HydrophobicContact CG2-CD1 3.9Å
434	L	93	Very high	90.8	Very high	74 Å²	74	46.8 Å²	46.8	39%	0.387	28%	0.276	S	S	.	.	H	α-helix	trans	-66.4	-42.9	177.1	-166.9	66.6	0	0	0	111.3	F365 A369 L430 S436 L437 T438	F365-L434 HydrophobicContact CE1-CD1 3.88Å; F365-L434 HydrophobicContact CZ-CD1 4.28Å; A369-L434 HydrophobicContact CB-CD1 4.09Å; L430-L434 WeakPolarHBondContact O-CB 3.3Å; L430-L434 PolarHBondContact O-N 3.4Å; L434-S436 VanDerWaalsContact C-N 3.32Å; L434-S436 PolarHBondContact O-N 2.99Å; L434-L437 PolarHBondContact O-N 3.09Å; L434-T438 HydrophobicContact CD1-CG2 4.45Å; L434-T438 WeakPolarHBondContact O-CB 3.4Å; L434-T438 WeakPolarHBondContact O-CG2 3.34Å; L434-T438 PolarHBondContact O-N 3.05Å; L434-T438 PolarHBondContact O-OG1 3.22Å
435	S	93.1	Very high	90.8	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.063	27%	0.266	C	S	.	.	H	α-helix	trans	-66.3	-32.5	176.3	60.9	0	0	0	0	113	Y431 F432 T438 S439 V440 G441	Y431-S435 VanDerWaalsContact O-CB 3.25Å; Y431-S435 WeakPolarHBondContact O-CB 3.39Å; Y431-S435 PolarHBondContact O-N 3.41Å; Y431-S435 PolarHBondContact O-OG 3.46Å; F432-S435 PolarHBondContact O-OG 3.37Å; S435-T438 PolarHBondContact O-OG1 2.91Å; S435-S439 PolarHBondContact O-N 3.44Å; S435-V440 PolarHBondContact O-N 3.26Å; S435-G441 PolarHBondContact O-N 3.2Å; S435-G441 VanDerWaalsContact O-N 3.1Å
436	S	92.3	Very high	90.6	Very high	18 Å²	18	47.7 Å²	47.7	13%	0.126	28%	0.281	C	S	.	.	H	α-helix	trans	-75.3	-43	175	-60.1	0	0	0	0	112.4	F432 T433 L434 T438 S439	F432-S436 WeakPolarHBondContact O-CB 3.38Å; F432-S436 PolarHBondContact O-N 3.25Å; F432-S436 PolarHBondContact O-OG 3.27Å; T433-S436 PolarHBondContact O-N 3.3Å; L434-S436 VanDerWaalsContact C-N 3.32Å; L434-S436 PolarHBondContact O-N 2.99Å; S436-T438 VanDerWaalsContact C-N 3.32Å; S436-T438 PolarHBondContact O-N 2.96Å; S436-S439 PolarHBondContact O-N 2.82Å; S436-S439 VanDerWaalsContact O-N 3.15Å
437	L	91.7	Very high	90.5	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-67.7	-31.4	178	-76.1	164.8	0	0	0	112.9	F365 L368 A369 T433 L434 S439 I459 I462	F365-L437 HydrophobicContact CE2-CB 3.92Å; F365-L437 HydrophobicContact CZ-CB 3.98Å; L368-L437 HydrophobicContact CD2-CD1 3.76Å; L368-L437 HydrophobicContact CD2-CD2 3.56Å; L368-L437 HydrophobicContact CD2-CG 4.34Å; A369-L437 VanDerWaalsContact CA-CD1 3.43Å; A369-L437 HydrophobicContact CB-CD1 3.58Å; T433-L437 VanDerWaalsContact O-CB 3.25Å; T433-L437 WeakPolarHBondContact O-CB 3.2Å; T433-L437 WeakPolarHBondContact O-CD1 3.44Å; T433-L437 WeakPolarHBondContact O-CG 3.23Å; T433-L437 PolarHBondContact O-N 3.15Å; L434-L437 PolarHBondContact O-N 3.09Å; L437-S439 VanDerWaalsContact C-N 3.29Å; L437-I459 HydrophobicContact CD2-CG2 4.1Å; L437-I459 HydrophobicContact CG-CG2 3.98Å; L437-I462 HydrophobicContact CD2-CG2 4.46Å
438	T	91.5	Very high	90.3	Very high	47 Å²	47	44.5 Å²	44.5	29%	0.288	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	5.1	174.6	55.7	0	0	0	0	113.1	F365 L434 S435 S436 V440	F365-T438 HydrophobicContact CE1-CG2 4.27Å; F365-T438 HydrophobicContact CZ-CG2 3.85Å; L434-T438 HydrophobicContact CD1-CG2 4.45Å; L434-T438 WeakPolarHBondContact O-CB 3.4Å; L434-T438 WeakPolarHBondContact O-CG2 3.34Å; L434-T438 PolarHBondContact O-N 3.05Å; L434-T438 PolarHBondContact O-OG1 3.22Å; S435-T438 PolarHBondContact O-OG1 2.91Å; S436-T438 VanDerWaalsContact C-N 3.32Å; S436-T438 PolarHBondContact O-N 2.96Å; T438-V440 PolarHBondContact O-N 2.76Å; T438-V440 WeakPolarHBondContact OG1-CG2 3.47Å
439	S	89.4	Confident	90.1	Very high	99 Å²	99	44.4 Å²	44.4	69%	0.692	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	20.1	-179.2	64.8	0	0	0	0	115.8	S435 S436 L437	S435-S439 PolarHBondContact O-N 3.44Å; S436-S439 PolarHBondContact O-N 2.82Å; S436-S439 VanDerWaalsContact O-N 3.15Å; L437-S439 VanDerWaalsContact C-N 3.29Å
440	V	92.8	Very high	89.9	Confident	79 Å²	79	50.1 Å²	50.1	48%	0.479	30%	0.3	S	S	.	.			trans	-80.6	-47.3	179.3	-178.6	0	0	0	0	111.7	S435 T438 F442	S435-V440 PolarHBondContact O-N 3.26Å; T438-V440 PolarHBondContact O-N 2.76Å; T438-V440 WeakPolarHBondContact OG1-CG2 3.47Å; V440-F442 HydrophobicContact CB-CE2 4.28Å; V440-F442 HydrophobicContact CB-CZ 4.46Å; V440-F442 HydrophobicContact CG1-CD1 3.96Å; V440-F442 HydrophobicContact CG1-CD2 3.96Å; V440-F442 HydrophobicContact CG1-CE1 3.57Å; V440-F442 HydrophobicContact CG1-CE2 3.57Å; V440-F442 HydrophobicContact CG1-CG 4.15Å; V440-F442 HydrophobicContact CG1-CZ 3.37Å
441	G	87.3	Confident	89.6	Confident	51 Å²	51	49.9 Å²	49.9	53%	0.526	31%	0.306	S	S	.	.			trans	58.8	56.8	171.5	0	0	0	0	0	116.2	S435 G443	S435-G441 PolarHBondContact O-N 3.2Å; S435-G441 VanDerWaalsContact O-N 3.1Å; G441-G443 VanDerWaalsContact C-N 3.26Å; G441-G443 PolarHBondContact O-N 3.35Å; G441-G443 VanDerWaalsContact O-N 3.15Å
442	F	87.5	Confident	89.5	Confident	124 Å²	124	46.1 Å²	46.1	54%	0.544	29%	0.291	S	S	.	.			trans	-60.6	-23	-176.4	-64.8	-72.9	0	0	0	116.2	Y431 V440 N444	Y431-F442 AromaticContact CE2-CD2 3.73Å; Y431-F442 HydrophobicContact CE2-CD2 3.73Å; Y431-F442 AromaticContact CE2-CE2 3.98Å; Y431-F442 HydrophobicContact CE2-CE2 3.98Å; Y431-F442 AromaticContact CZ-CD2 3.56Å; Y431-F442 WeakPolarHBondContact OH-CB 3.36Å; Y431-F442 WeakPolarHBondContact OH-CD2 3.45Å; Y431-F442 WeakPolarHBondContact OH-CG 3.17Å; V440-F442 HydrophobicContact CB-CE2 4.28Å; V440-F442 HydrophobicContact CB-CZ 4.46Å; V440-F442 HydrophobicContact CG1-CD1 3.96Å; V440-F442 HydrophobicContact CG1-CD2 3.96Å; V440-F442 HydrophobicContact CG1-CE1 3.57Å; V440-F442 HydrophobicContact CG1-CE2 3.57Å; V440-F442 HydrophobicContact CG1-CG 4.15Å; V440-F442 HydrophobicContact CG1-CZ 3.37Å; F442-N444 VanDerWaalsContact C-N 3.33Å; F442-N444 PolarHBondContact O-N 3.13Å
443	G	83.9	Confident	89.5	Confident	44 Å²	44	50.2 Å²	50.2	45%	0.454	31%	0.309	S	S	.	.	S	Bend	trans	79.9	0.4	177.3	0	0	0	0	0	116.5	G441 V445	G441-G443 VanDerWaalsContact C-N 3.26Å; G441-G443 PolarHBondContact O-N 3.35Å; G441-G443 VanDerWaalsContact O-N 3.15Å; G443-V445 VanDerWaalsContact C-N 3.31Å; G443-V445 PolarHBondContact O-N 3.03Å
444	N	85.6	Confident	89.5	Confident	90 Å²	90	55.6 Å²	55.6	48%	0.481	34%	0.336	S	S	.	.	S	Bend	trans	-67.9	-30.8	177	-69.7	-19.3	0	0	0	113.4	R402 Y431 F442	R402-N444 PolarHBondContact NH1-O 2.87Å; Y431-N444 HydrophobicContact CE1-CB 4.11Å; Y431-N444 PolarHBondContact OH-ND2 3.21Å; F442-N444 VanDerWaalsContact C-N 3.33Å; F442-N444 PolarHBondContact O-N 3.13Å
445	V	86.5	Confident	89.5	Confident	17 Å²	17	53 Å²	53	10%	0.103	32%	0.322	C	S	.	.	S	Bend	trans	-121.8	127.2	166.4	177.7	0	0	0	0	104.7	W376 W395 L399 F432 G443	W376-V445 HydrophobicContact CZ2-CG1 4.3Å; W395-V445 HydrophobicContact CD2-CG1 4.39Å; W395-V445 HydrophobicContact CE3-CG1 3.69Å; W395-V445 HydrophobicContact CZ3-CG1 4.34Å; L399-V445 HydrophobicContact CD1-CG2 4.49Å; F432-V445 HydrophobicContact CB-CB 4.11Å; F432-V445 HydrophobicContact CB-CG1 3.97Å; F432-V445 HydrophobicContact CD2-CB 4.1Å; F432-V445 HydrophobicContact CD2-CG1 3.99Å; F432-V445 VanDerWaalsContact CD2-O 3.23Å; F432-V445 WeakPolarHBondContact CD2-O 3.08Å; F432-V445 WeakPolarHBondContact CE2-O 2.98Å; F432-V445 HydrophobicContact CG-CB 4.4Å; F432-V445 HydrophobicContact CG-CG1 4.04Å; G443-V445 VanDerWaalsContact C-N 3.31Å; G443-V445 PolarHBondContact O-N 3.03Å
446	S	85.9	Confident	89.5	Confident	46 Å²	46	53.3 Å²	53.3	32%	0.322	32%	0.324	S	S	.	.			trans	-141.2	155.5	-175	63	0	0	0	0	110.9
447	A	88.4	Confident	89.5	Confident	22 Å²	22	56.7 Å²	56.7	18%	0.182	34%	0.343	C	S	.	.			trans	-81.6	116.2	177.6	0	0	0	0	0	110.9	W376 E452 K453 S456	W376-A447 HydrophobicContact CH2-CB 4.03Å; A447-E452 WeakPolarHBondContact CA-OE2 3.39Å; A447-E452 VanDerWaalsContact CB-C 3.48Å; A447-E452 HydrophobicContact CB-CB 3.62Å; A447-E452 WeakPolarHBondContact CB-O 3.39Å; A447-K453 HydrophobicContact CB-CG 3.94Å; A447-S456 VanDerWaalsContact CB-OG 3.31Å; A447-S456 WeakPolarHBondContact CB-OG 3.48Å
448	N	87.1	Confident	89.6	Confident	59 Å²	59	59.5 Å²	59.5	32%	0.316	36%	0.363	S	S	.	.			trans	-100.7	-39.1	179.1	-65.4	-34.8	0	0	0	111.3	I393 E452 K453	I393-N448 HydrophobicContact CG2-CB 3.97Å; I393-N448 WeakPolarHBondContact O-CB 3.34Å; I393-N448 PolarHBondContact O-ND2 2.94Å; N448-E452 PolarHBondContact N-OE2 2.75Å; N448-K453 WeakPolarHBondContact O-CE 3.3Å; N448-K453 PolarHBondContact O-NZ 3.42Å
449	T	87.7	Confident	89.7	Confident	12 Å²	12	57.3 Å²	57.3	7%	0.074	35%	0.349	C	S	.	.	S	Bend	trans	-85.5	161.1	-178.3	72.4	0	0	0	0	112.3	E383 A451 E452 K453	E383-T449 VanDerWaalsContact CD-OG1 3.28Å; E383-T449 PolarHBondContact OE1-OG1 3.19Å; E383-T449 WeakPolarHBondContact OE2-CB 3.35Å; E383-T449 VanDerWaalsContact OE2-CG2 3.31Å; E383-T449 WeakPolarHBondContact OE2-CG2 3.25Å; E383-T449 PolarHBondContact OE2-OG1 2.89Å; T449-A451 VanDerWaalsContact C-N 3.33Å; T449-A451 PolarHBondContact O-N 3.04Å; T449-E452 PolarHBondContact N-OE2 2.65Å; T449-E452 PolarHBondContact O-N 2.86Å; T449-E452 VanDerWaalsContact OG1-CB 3.28Å; T449-E452 WeakPolarHBondContact OG1-CB 3.18Å; T449-E452 WeakPolarHBondContact OG1-CG 3.38Å; T449-E452 PolarHBondContact OG1-N 3.15Å; T449-K453 WeakPolarHBondContact O-CB 3.49Å; T449-K453 VanDerWaalsContact O-CG 3.23Å; T449-K453 WeakPolarHBondContact O-CG 3.43Å; T449-K453 PolarHBondContact O-N 2.91Å
450	D	89.3	Confident	89.8	Confident	120 Å²	120	57.6 Å²	57.6	64%	0.642	34%	0.341	S	S	*	.	H	α-helix	trans	-66.9	-35.1	-179.2	-67.1	-21.5	0	0	0	111.8	K453 I454	D450-K453 PolarHBondContact O-N 3.26Å; D450-K453 IonicContact OD1-NZ 2.66Å; D450-I454 WeakPolarHBondContact O-CB 3.47Å; D450-I454 WeakPolarHBondContact O-CD1 3.39Å; D450-I454 WeakPolarHBondContact O-CG1 3.16Å; D450-I454 PolarHBondContact O-N 2.96Å
451	A	88.5	Confident	89.9	Confident	45 Å²	45	60.1 Å²	60.1	37%	0.372	35%	0.351	S	S	.	.	H	α-helix	trans	-67.1	-44.6	174.7	0	0	0	0	0	111.6	E383 T449 K453 I454 F455	E383-A451 WeakPolarHBondContact OE1-CB 3.45Å; T449-A451 VanDerWaalsContact C-N 3.33Å; T449-A451 PolarHBondContact O-N 3.04Å; A451-K453 VanDerWaalsContact C-N 3.32Å; A451-K453 PolarHBondContact O-N 3.22Å; A451-I454 PolarHBondContact O-N 2.92Å; A451-F455 WeakPolarHBondContact O-CB 3.5Å; A451-F455 PolarHBondContact O-N 3.02Å
452	E	91.2	Very high	90.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.6	-41	174.1	-73.9	169.1	-178.6	0	0	111.7	W376 I379 G394 W395 A447 N448 T449 F455 S456	W376-E452 HydrophobicContact CH2-CB 3.67Å; W376-E452 HydrophobicContact CH2-CG 3.69Å; W376-E452 HydrophobicContact CZ3-CB 3.73Å; W376-E452 HydrophobicContact CZ3-CG 3.82Å; I379-E452 HydrophobicContact CG2-CG 4.33Å; G394-E452 WeakPolarHBondContact CA-OE1 3.45Å; W395-E452 PolarHBondContact N-OE1 2.92Å; A447-E452 WeakPolarHBondContact CA-OE2 3.39Å; A447-E452 VanDerWaalsContact CB-C 3.48Å; A447-E452 HydrophobicContact CB-CB 3.62Å; A447-E452 WeakPolarHBondContact CB-O 3.39Å; N448-E452 PolarHBondContact N-OE2 2.75Å; T449-E452 PolarHBondContact N-OE2 2.65Å; T449-E452 PolarHBondContact O-N 2.86Å; T449-E452 VanDerWaalsContact OG1-CB 3.28Å; T449-E452 WeakPolarHBondContact OG1-CB 3.18Å; T449-E452 WeakPolarHBondContact OG1-CG 3.38Å; T449-E452 PolarHBondContact OG1-N 3.15Å; E452-F455 PolarHBondContact O-N 3.38Å; E452-S456 WeakPolarHBondContact O-CB 3.46Å; E452-S456 PolarHBondContact O-N 2.95Å; E452-S456 PolarHBondContact O-OG 3.46Å
453	K	92.3	Very high	90.3	Very high	97 Å²	97	55.1 Å²	55.1	42%	0.422	32%	0.317	S	S	.	.	H	α-helix	trans	-68.4	-45.7	179	-75	168.6	-169.5	156.2	0	111.9	A447 N448 T449 D450 A451 F455 S456 V457	A447-K453 HydrophobicContact CB-CG 3.94Å; N448-K453 WeakPolarHBondContact O-CE 3.3Å; N448-K453 PolarHBondContact O-NZ 3.42Å; T449-K453 WeakPolarHBondContact O-CB 3.49Å; T449-K453 VanDerWaalsContact O-CG 3.23Å; T449-K453 WeakPolarHBondContact O-CG 3.43Å; T449-K453 PolarHBondContact O-N 2.91Å; D450-K453 PolarHBondContact O-N 3.26Å; D450-K453 IonicContact OD1-NZ 2.66Å; A451-K453 VanDerWaalsContact C-N 3.32Å; A451-K453 PolarHBondContact O-N 3.22Å; K453-F455 VanDerWaalsContact C-N 3.27Å; K453-F455 PolarHBondContact O-N 2.89Å; K453-S456 WeakPolarHBondContact O-CB 3.48Å; K453-S456 PolarHBondContact O-N 3.44Å; K453-S456 VanDerWaalsContact O-N 3.17Å; K453-V457 WeakPolarHBondContact O-CG2 3.44Å; K453-V457 PolarHBondContact O-N 3.08Å
454	I	94.1	Very high	90.7	Very high	112 Å²	112	56 Å²	56	57%	0.574	32%	0.321	S	S	*	.	H	α-helix	trans	-58.3	-44.8	175.8	-69.9	164.1	0	0	0	109.8	D450 A451 S456 V457 C458	D450-I454 WeakPolarHBondContact O-CB 3.47Å; D450-I454 WeakPolarHBondContact O-CD1 3.39Å; D450-I454 WeakPolarHBondContact O-CG1 3.16Å; D450-I454 PolarHBondContact O-N 2.96Å; A451-I454 PolarHBondContact O-N 2.92Å; I454-S456 PolarHBondContact O-N 3.04Å; I454-V457 PolarHBondContact O-N 3.41Å; I454-C458 PolarHBondContact O-N 3.48Å; I454-C458 PolarHBondContact O-SG 2.98Å; I454-C458 VanDerWaalsContact O-SG 3.37Å
455	F	93.9	Very high	90.9	Very high	21 Å²	21	57.2 Å²	57.2	9%	0.092	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-41.4	176.7	179.8	-102.6	0	0	0	112.6	M372 I375 W376 I379 A451 E452 K453 V457 C458 I459	M372-F455 HydrophobicContact CB-CZ 4.35Å; M372-F455 HydrophobicContact CE-CD2 4.3Å; M372-F455 HydrophobicContact CE-CE2 3.38Å; M372-F455 HydrophobicContact CE-CZ 3.59Å; M372-F455 WeakPolarHBondContact O-CZ 3.32Å; I375-F455 HydrophobicContact CB-CE2 3.98Å; I375-F455 HydrophobicContact CB-CZ 3.98Å; I375-F455 HydrophobicContact CG2-CD2 4.14Å; I375-F455 HydrophobicContact CG2-CE2 3.39Å; I375-F455 HydrophobicContact CG2-CZ 3.82Å; W376-F455 HydrophobicContact CB-CE1 3.85Å; W376-F455 HydrophobicContact CB-CZ 4.36Å; W376-F455 HydrophobicContact CD2-CD1 4.4Å; W376-F455 HydrophobicContact CD2-CE1 4.22Å; W376-F455 AromaticContact CE3-CD1 3.32Å; W376-F455 HydrophobicContact CE3-CD1 3.32Å; W376-F455 AromaticContact CE3-CE1 3.53Å; W376-F455 HydrophobicContact CE3-CE1 3.53Å; W376-F455 HydrophobicContact CE3-CG 4.4Å; W376-F455 HydrophobicContact CG-CE1 4.4Å; W376-F455 AromaticContact CZ3-CD1 3.77Å; W376-F455 HydrophobicContact CZ3-CD1 3.77Å; W376-F455 HydrophobicContact CZ3-CE1 4.39Å; I379-F455 HydrophobicContact CD1-CB 3.87Å; I379-F455 HydrophobicContact CD1-CD1 4.09Å; I379-F455 HydrophobicContact CD1-CD2 3.59Å; I379-F455 HydrophobicContact CD1-CE1 4.46Å; I379-F455 HydrophobicContact CD1-CE2 4.07Å; I379-F455 HydrophobicContact CD1-CG 3.58Å; I379-F455 HydrophobicContact CD1-CZ 4.45Å; A451-F455 WeakPolarHBondContact O-CB 3.5Å; A451-F455 PolarHBondContact O-N 3.02Å; E452-F455 PolarHBondContact O-N 3.38Å; K453-F455 VanDerWaalsContact C-N 3.27Å; K453-F455 PolarHBondContact O-N 2.89Å; F455-V457 PolarHBondContact O-N 3.04Å; F455-C458 WeakPolarHBondContact O-CB 3.37Å; F455-C458 PolarHBondContact O-N 2.91Å; F455-I459 HydrophobicContact CD1-CD1 3.79Å; F455-I459 HydrophobicContact CD1-CG1 4.35Å; F455-I459 HydrophobicContact CE1-CD1 3.15Å; F455-I459 HydrophobicContact CE1-CG1 3.99Å; F455-I459 HydrophobicContact CE2-CD1 4.37Å; F455-I459 HydrophobicContact CE2-CG1 4.49Å; F455-I459 HydrophobicContact CZ-CD1 3.5Å; F455-I459 HydrophobicContact CZ-CG1 4.07Å; F455-I459 PolarHBondContact O-N 3.39Å
456	S	91.8	Very high	91.1	Very high	14 Å²	14	57 Å²	57	10%	0.098	33%	0.325	C	S	.	.	H	α-helix	trans	-62.3	-41.5	176	-59.3	0	0	0	0	112	F432 A447 E452 K453 I454 C458 I459 M460	F432-S456 WeakPolarHBondContact CZ-OG 3.17Å; A447-S456 VanDerWaalsContact CB-OG 3.31Å; A447-S456 WeakPolarHBondContact CB-OG 3.48Å; E452-S456 WeakPolarHBondContact O-CB 3.46Å; E452-S456 PolarHBondContact O-N 2.95Å; E452-S456 PolarHBondContact O-OG 3.46Å; K453-S456 WeakPolarHBondContact O-CB 3.48Å; K453-S456 PolarHBondContact O-N 3.44Å; K453-S456 VanDerWaalsContact O-N 3.17Å; I454-S456 PolarHBondContact O-N 3.04Å; S456-C458 VanDerWaalsContact C-N 3.35Å; S456-C458 PolarHBondContact O-N 3.24Å; S456-I459 PolarHBondContact O-N 2.87Å; S456-M460 WeakPolarHBondContact O-CG 3.31Å; S456-M460 PolarHBondContact O-N 3.17Å
457	V	93.4	Very high	91.2	Very high	89 Å²	89	58.4 Å²	58.4	54%	0.539	33%	0.326	S	S	.	.	H	α-helix	trans	-59.9	-44.5	173.8	172.4	0	0	0	0	111.2	K453 I454 F455 M460 L461	K453-V457 WeakPolarHBondContact O-CG2 3.44Å; K453-V457 PolarHBondContact O-N 3.08Å; I454-V457 PolarHBondContact O-N 3.41Å; F455-V457 PolarHBondContact O-N 3.04Å; V457-M460 HydrophobicContact CB-CE 4.41Å; V457-M460 HydrophobicContact CG2-CE 4.02Å; V457-M460 PolarHBondContact O-N 3.11Å; V457-L461 PolarHBondContact O-N 3.4Å; V457-L461 VanDerWaalsContact O-N 3.13Å
458	C	93.8	Very high	91.3	Very high	62 Å²	62	60.3 Å²	60.3	42%	0.419	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-44.3	175.3	-69.4	0	0	0	0	112.3	I454 F455 S456 L461 I462	I454-C458 PolarHBondContact O-N 3.48Å; I454-C458 PolarHBondContact O-SG 2.98Å; I454-C458 VanDerWaalsContact O-SG 3.37Å; F455-C458 WeakPolarHBondContact O-CB 3.37Å; F455-C458 PolarHBondContact O-N 2.91Å; S456-C458 VanDerWaalsContact C-N 3.35Å; S456-C458 PolarHBondContact O-N 3.24Å; C458-L461 PolarHBondContact O-N 3.27Å; C458-I462 VanDerWaalsContact O-CG1 3.31Å; C458-I462 WeakPolarHBondContact O-CG1 3.21Å; C458-I462 PolarHBondContact O-N 3.23Å
459	I	92.8	Very high	91.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.4	-45	176.3	-75.8	-176.9	0	0	0	111.3	M372 T433 L437 F455 S456 L461 I462 G463	M372-I459 HydrophobicContact CB-CD1 3.88Å; M372-I459 HydrophobicContact CB-CG1 4.35Å; M372-I459 HydrophobicContact CE-CD1 3.96Å; M372-I459 HydrophobicContact CE-CG1 3.36Å; M372-I459 HydrophobicContact CG-CD1 4.36Å; M372-I459 HydrophobicContact CG-CG1 4.29Å; T433-I459 HydrophobicContact CG2-CD1 3.9Å; L437-I459 HydrophobicContact CD2-CG2 4.1Å; L437-I459 HydrophobicContact CG-CG2 3.98Å; F455-I459 HydrophobicContact CD1-CD1 3.79Å; F455-I459 HydrophobicContact CD1-CG1 4.35Å; F455-I459 HydrophobicContact CE1-CD1 3.15Å; F455-I459 HydrophobicContact CE1-CG1 3.99Å; F455-I459 HydrophobicContact CE2-CD1 4.37Å; F455-I459 HydrophobicContact CE2-CG1 4.49Å; F455-I459 HydrophobicContact CZ-CD1 3.5Å; F455-I459 HydrophobicContact CZ-CG1 4.07Å; F455-I459 PolarHBondContact O-N 3.39Å; S456-I459 PolarHBondContact O-N 2.87Å; I459-L461 VanDerWaalsContact C-N 3.3Å; I459-L461 PolarHBondContact O-N 2.91Å; I459-I462 PolarHBondContact O-N 3.06Å; I459-G463 PolarHBondContact O-N 3.49Å
460	M	92.8	Very high	91.5	Very high	105 Å²	105	61.5 Å²	61.5	52%	0.517	35%	0.348	S	S	.	.	H	α-helix	trans	-60.4	-41.1	-179.6	-73	-176.2	-67.9	0	0	111.4	S456 V457 G463 A464	S456-M460 WeakPolarHBondContact O-CG 3.31Å; S456-M460 PolarHBondContact O-N 3.17Å; V457-M460 HydrophobicContact CB-CE 4.41Å; V457-M460 HydrophobicContact CG2-CE 4.02Å; V457-M460 PolarHBondContact O-N 3.11Å; M460-G463 PolarHBondContact O-N 3.48Å; M460-A464 WeakPolarHBondContact O-CB 3.47Å; M460-A464 PolarHBondContact O-N 2.8Å
461	L	93.8	Very high	91.5	Very high	133 Å²	133	61.1 Å²	61.1	70%	0.696	34%	0.341	S	S	*	.	H	α-helix	trans	-65.8	-45.6	176.7	-174.6	66.7	0	0	0	112.3	V457 C458 I459 G463 A464 L465	V457-L461 PolarHBondContact O-N 3.4Å; V457-L461 VanDerWaalsContact O-N 3.13Å; C458-L461 PolarHBondContact O-N 3.27Å; I459-L461 VanDerWaalsContact C-N 3.3Å; I459-L461 PolarHBondContact O-N 2.91Å; L461-G463 VanDerWaalsContact C-N 3.33Å; L461-A464 PolarHBondContact O-N 3.48Å; L461-L465 PolarHBondContact O-N 3.05Å
462	I	92.1	Very high	91.6	Very high	67 Å²	67	61 Å²	61	34%	0.344	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-40.8	177.1	-66.8	166.8	0	0	0	110.5	L368 M372 L437 C458 I459 L465 M466	L368-I462 HydrophobicContact CD1-CG2 3.96Å; L368-I462 HydrophobicContact CD2-CG2 3.96Å; M372-I462 HydrophobicContact CE-CD1 4.49Å; L437-I462 HydrophobicContact CD2-CG2 4.46Å; C458-I462 VanDerWaalsContact O-CG1 3.31Å; C458-I462 WeakPolarHBondContact O-CG1 3.21Å; C458-I462 PolarHBondContact O-N 3.23Å; I459-I462 PolarHBondContact O-N 3.06Å; I462-L465 PolarHBondContact O-N 3.3Å; I462-M466 HydrophobicContact CG2-CG 4.24Å; I462-M466 WeakPolarHBondContact O-CB 3.42Å; I462-M466 VanDerWaalsContact O-CG 3.3Å; I462-M466 WeakPolarHBondContact O-CG 3.42Å; I462-M466 PolarHBondContact O-N 3.36Å
463	G	91.8	Very high	91.4	Very high	2 Å²	2	63.8 Å²	63.8	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-60.5	-47.9	176.9	0	0	0	0	0	112.2	I459 M460 L461 L465 M466 H467	I459-G463 PolarHBondContact O-N 3.49Å; M460-G463 PolarHBondContact O-N 3.48Å; L461-G463 VanDerWaalsContact C-N 3.33Å; G463-L465 PolarHBondContact O-N 3.21Å; G463-M466 PolarHBondContact O-N 3.32Å; G463-H467 VanDerWaalsContact O-CB 3.27Å; G463-H467 WeakPolarHBondContact O-CB 3.48Å; G463-H467 PolarHBondContact O-N 2.9Å
464	A	91.5	Very high	91.2	Very high	64 Å²	64	61.2 Å²	61.2	53%	0.529	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-45.4	176.9	0	0	0	0	0	112.3	M460 L461 A468	M460-A464 WeakPolarHBondContact O-CB 3.47Å; M460-A464 PolarHBondContact O-N 2.8Å; L461-A464 PolarHBondContact O-N 3.48Å; A464-A468 WeakPolarHBondContact O-CB 3.44Å; A464-A468 PolarHBondContact O-N 2.91Å; A464-A468 VanDerWaalsContact O-N 3.08Å
465	L	91.4	Very high	91	Very high	114 Å²	114	59.1 Å²	59.1	60%	0.597	34%	0.343	S	S	*	.	H	α-helix	trans	-64.6	-45.6	177	-176.6	67.9	0	0	0	111.8	L461 I462 G463 A468 L469	L461-L465 PolarHBondContact O-N 3.05Å; I462-L465 PolarHBondContact O-N 3.3Å; G463-L465 PolarHBondContact O-N 3.21Å; L465-A468 PolarHBondContact O-N 3.37Å; L465-L469 HydrophobicContact CG-CD1 4.45Å; L465-L469 WeakPolarHBondContact O-CG 3.32Å; L465-L469 PolarHBondContact O-N 3.34Å
466	M	89	Confident	90.8	Very high	14 Å²	14	60.4 Å²	60.4	7%	0.069	36%	0.358	C	S	.	.	H	α-helix	trans	-63.8	-42.6	179.7	-79	-59.4	-56.2	0	0	112.2	M364 F365 L368 I462 G463 L469 V470	M364-M466 HydrophobicContact CE-CE 3.6Å; M364-M466 HydrophobicContact CE-SD 4.07Å; F365-M466 HydrophobicContact CB-CE 4.27Å; F365-M466 HydrophobicContact CD2-CB 4.32Å; F365-M466 HydrophobicContact CD2-CE 4.29Å; L368-M466 HydrophobicContact CD1-CG 4.41Å; I462-M466 HydrophobicContact CG2-CG 4.24Å; I462-M466 WeakPolarHBondContact O-CB 3.42Å; I462-M466 VanDerWaalsContact O-CG 3.3Å; I462-M466 WeakPolarHBondContact O-CG 3.42Å; I462-M466 PolarHBondContact O-N 3.36Å; G463-M466 PolarHBondContact O-N 3.32Å; M466-L469 PolarHBondContact O-N 2.89Å; M466-L469 HydrophobicContact SD-CD1 4.34Å; M466-V470 WeakPolarHBondContact O-CG2 3.4Å; M466-V470 PolarHBondContact O-N 3.37Å
467	H	88	Confident	90.5	Very high	75 Å²	75	61.7 Å²	61.7	35%	0.347	36%	0.363	S	S	.	.	H	α-helix	trans	-60.8	-46.8	175.9	-167.9	-96.9	0	0	0	110.5	G463 L469 V470 F471	G463-H467 VanDerWaalsContact O-CB 3.27Å; G463-H467 WeakPolarHBondContact O-CB 3.48Å; G463-H467 PolarHBondContact O-N 2.9Å; H467-L469 VanDerWaalsContact C-N 3.31Å; H467-L469 PolarHBondContact O-N 3.46Å; H467-V470 PolarHBondContact O-N 3.14Å; H467-F471 AromaticContact CD2-CD2 3.9Å; H467-F471 AromaticContact CD2-CE2 3.51Å; H467-F471 AromaticContact CE1-CD2 3.37Å; H467-F471 WeakPolarHBondContact CE1-CD2 3.22Å; H467-F471 AromaticContact CE1-CE2 3.1Å; H467-F471 WeakPolarHBondContact CE1-CE2 3.35Å; H467-F471 AromaticContact CE1-CZ 3.86Å; H467-F471 AromaticContact CG-CD2 3.8Å; H467-F471 AromaticContact CG-CE2 3.89Å; H467-F471 AromaticContact ND1-CD2 3.46Å; H467-F471 WeakPolarHBondContact ND1-CD2 3.41Å; H467-F471 AromaticContact ND1-CE2 3.66Å; H467-F471 AromaticContact NE2-CD2 3.66Å; H467-F471 AromaticContact NE2-CE2 2.98Å; H467-F471 WeakPolarHBondContact NE2-CE2 3.25Å; H467-F471 AromaticContact NE2-CZ 3.78Å; H467-F471 WeakPolarHBondContact O-CD2 3.42Å; H467-F471 PolarHBondContact O-N 3.05Å
468	A	91.6	Very high	90.2	Very high	62 Å²	62	61.2 Å²	61.2	51%	0.512	36%	0.357	S	S	.	.	H	α-helix	trans	-57.8	-41.6	175.4	0	0	0	0	0	112.7	A464 L465 G472	A464-A468 WeakPolarHBondContact O-CB 3.44Å; A464-A468 PolarHBondContact O-N 2.91Å; A464-A468 VanDerWaalsContact O-N 3.08Å; L465-A468 PolarHBondContact O-N 3.37Å; A468-G472 PolarHBondContact O-N 3.11Å
469	L	88.9	Confident	89.9	Confident	82 Å²	82	64.6 Å²	64.6	43%	0.429	37%	0.366	S	S	.	.	H	α-helix	trans	-66	-42.5	176.7	-71	172.7	0	0	0	112.7	L465 M466 H467 N473	L465-L469 HydrophobicContact CG-CD1 4.45Å; L465-L469 WeakPolarHBondContact O-CG 3.32Å; L465-L469 PolarHBondContact O-N 3.34Å; M466-L469 PolarHBondContact O-N 2.89Å; M466-L469 HydrophobicContact SD-CD1 4.34Å; H467-L469 VanDerWaalsContact C-N 3.31Å; H467-L469 PolarHBondContact O-N 3.46Å; L469-N473 PolarHBondContact O-N 2.92Å; L469-N473 VanDerWaalsContact O-N 3.08Å; L469-N473 PolarHBondContact O-ND2 2.96Å
470	V	88.7	Confident	89.6	Confident	13 Å²	13	72.5 Å²	72.5	8%	0.079	40%	0.396	C	S	.	.	H	α-helix	trans	-64.5	-52.2	178.7	169.8	0	0	0	0	110.6	L361 M362 M466 H467 G472 N473 V474	L361-V470 HydrophobicContact CD2-CB 4.38Å; L361-V470 HydrophobicContact CD2-CG2 3.87Å; L361-V470 HydrophobicContact CG-CG2 4Å; M362-V470 HydrophobicContact CE-CG1 3.26Å; M362-V470 HydrophobicContact SD-CG1 3.93Å; M466-V470 WeakPolarHBondContact O-CG2 3.4Å; M466-V470 PolarHBondContact O-N 3.37Å; H467-V470 PolarHBondContact O-N 3.14Å; V470-G472 VanDerWaalsContact C-N 3.34Å; V470-G472 PolarHBondContact O-N 3.2Å; V470-N473 PolarHBondContact O-N 2.89Å; V470-V474 WeakPolarHBondContact O-CG2 3.36Å; V470-V474 PolarHBondContact O-N 2.73Å
471	F	89.3	Confident	89.1	Confident	113 Å²	113	73.4 Å²	73.4	50%	0.496	40%	0.401	S	S	.	.	H	α-helix	trans	-62	-41.8	178.4	-83.7	-86.7	0	0	0	111.8	H467 N473 V474 T475	H467-F471 AromaticContact CD2-CD2 3.9Å; H467-F471 AromaticContact CD2-CE2 3.51Å; H467-F471 AromaticContact CE1-CD2 3.37Å; H467-F471 WeakPolarHBondContact CE1-CD2 3.22Å; H467-F471 AromaticContact CE1-CE2 3.1Å; H467-F471 WeakPolarHBondContact CE1-CE2 3.35Å; H467-F471 AromaticContact CE1-CZ 3.86Å; H467-F471 AromaticContact CG-CD2 3.8Å; H467-F471 AromaticContact CG-CE2 3.89Å; H467-F471 AromaticContact ND1-CD2 3.46Å; H467-F471 WeakPolarHBondContact ND1-CD2 3.41Å; H467-F471 AromaticContact ND1-CE2 3.66Å; H467-F471 AromaticContact NE2-CD2 3.66Å; H467-F471 AromaticContact NE2-CE2 2.98Å; H467-F471 WeakPolarHBondContact NE2-CE2 3.25Å; H467-F471 AromaticContact NE2-CZ 3.78Å; H467-F471 WeakPolarHBondContact O-CD2 3.42Å; H467-F471 PolarHBondContact O-N 3.05Å; F471-N473 VanDerWaalsContact C-N 3.35Å; F471-N473 PolarHBondContact O-N 3.32Å; F471-V474 PolarHBondContact O-N 2.68Å; F471-T475 WeakPolarHBondContact O-CB 3.2Å; F471-T475 PolarHBondContact O-N 3.48Å; F471-T475 PolarHBondContact O-OG1 2.99Å; F471-T475 VanDerWaalsContact O-OG1 3.08Å
472	G	90.9	Very high	88.8	Confident	42 Å²	42	72.8 Å²	72.8	43%	0.433	39%	0.39	S	S	.	.	H	α-helix	trans	-58.1	-43.7	175.9	0	0	0	0	0	113.1	A468 V470 A476	A468-G472 PolarHBondContact O-N 3.11Å; V470-G472 VanDerWaalsContact C-N 3.34Å; V470-G472 PolarHBondContact O-N 3.2Å; G472-A476 WeakPolarHBondContact O-CB 3.49Å; G472-A476 PolarHBondContact O-N 2.75Å
473	N	87.8	Confident	88.6	Confident	58 Å²	58	72.1 Å²	72.1	31%	0.31	39%	0.391	S	S	.	.	H	α-helix	trans	-68.9	-40.6	176.8	-79.2	-65.2	0	0	0	112.7	L361 L469 V470 F471 A476 I477	L361-N473 HydrophobicContact CD2-CB 4.03Å; L361-N473 WeakPolarHBondContact CD2-ND2 3.42Å; L469-N473 PolarHBondContact O-N 2.92Å; L469-N473 VanDerWaalsContact O-N 3.08Å; L469-N473 PolarHBondContact O-ND2 2.96Å; V470-N473 PolarHBondContact O-N 2.89Å; F471-N473 VanDerWaalsContact C-N 3.35Å; F471-N473 PolarHBondContact O-N 3.32Å; N473-A476 PolarHBondContact O-N 3.46Å; N473-I477 VanDerWaalsContact O-CG1 3.26Å; N473-I477 WeakPolarHBondContact O-CG1 3.25Å; N473-I477 PolarHBondContact O-N 3.45Å
474	V	88.1	Confident	88.3	Confident	43 Å²	43	79.6 Å²	79.6	26%	0.261	42%	0.419	S	S	.	.	H	α-helix	trans	-61	-47.3	175.6	171.6	0	0	0	0	110.4	L358 M362 V470 F471 A476 I477 I478	L358-V474 HydrophobicContact CD1-CG2 3.6Å; L358-V474 HydrophobicContact CD2-CG2 4.42Å; M362-V474 HydrophobicContact CE-CG2 4.46Å; V470-V474 WeakPolarHBondContact O-CG2 3.36Å; V470-V474 PolarHBondContact O-N 2.73Å; F471-V474 PolarHBondContact O-N 2.68Å; V474-A476 VanDerWaalsContact C-N 3.35Å; V474-A476 PolarHBondContact O-N 3.37Å; V474-I477 PolarHBondContact O-N 2.68Å; V474-I478 HydrophobicContact CG1-CD1 3.78Å; V474-I478 HydrophobicContact CG1-CG1 4.42Å; V474-I478 WeakPolarHBondContact O-CG1 2.92Å; V474-I478 PolarHBondContact O-N 2.89Å
475	T	90.4	Very high	88	Confident	69 Å²	69	83.7 Å²	83.7	42%	0.423	42%	0.421	S	S	.	.	H	α-helix	trans	-59.7	-43.7	176.5	-60.3	0	0	0	0	111.7	F471 I477 I478 Q479	F471-T475 WeakPolarHBondContact O-CB 3.2Å; F471-T475 PolarHBondContact O-N 3.48Å; F471-T475 PolarHBondContact O-OG1 2.99Å; F471-T475 VanDerWaalsContact O-OG1 3.08Å; T475-I477 VanDerWaalsContact C-N 3.33Å; T475-I477 PolarHBondContact O-N 3.03Å; T475-I478 PolarHBondContact O-N 3.1Å; T475-Q479 HydrophobicContact CG2-CG 4.43Å; T475-Q479 WeakPolarHBondContact O-CB 3.14Å; T475-Q479 VanDerWaalsContact O-CG 3.29Å; T475-Q479 WeakPolarHBondContact O-CG 3.14Å; T475-Q479 PolarHBondContact O-N 2.87Å
476	A	88.7	Confident	87.9	Confident	48 Å²	48	81.1 Å²	81.1	40%	0.397	41%	0.412	S	S	.	.	H	α-helix	trans	-62.3	-38.4	176.8	0	0	0	0	0	112.8	G472 N473 V474 R480	G472-A476 WeakPolarHBondContact O-CB 3.49Å; G472-A476 PolarHBondContact O-N 2.75Å; N473-A476 PolarHBondContact O-N 3.46Å; V474-A476 VanDerWaalsContact C-N 3.35Å; V474-A476 PolarHBondContact O-N 3.37Å; A476-R480 WeakPolarHBondContact O-CB 3.1Å; A476-R480 PolarHBondContact O-N 2.94Å
477	I	86.3	Confident	87.9	Confident	41 Å²	41	85.3 Å²	85.3	21%	0.21	43%	0.432	C	S	.	.	H	α-helix	trans	-66.4	-45.6	175.8	-68.9	167.4	0	0	0	110.8	L358 N473 V474 T475 Q479 R480 M481	L358-I477 HydrophobicContact CB-CD1 3.73Å; L358-I477 HydrophobicContact CD1-CD1 4.46Å; L358-I477 HydrophobicContact CD2-CD1 4.04Å; L358-I477 HydrophobicContact CG-CD1 4.3Å; N473-I477 VanDerWaalsContact O-CG1 3.26Å; N473-I477 WeakPolarHBondContact O-CG1 3.25Å; N473-I477 PolarHBondContact O-N 3.45Å; V474-I477 PolarHBondContact O-N 2.68Å; T475-I477 VanDerWaalsContact C-N 3.33Å; T475-I477 PolarHBondContact O-N 3.03Å; I477-Q479 VanDerWaalsContact C-N 3.35Å; I477-Q479 PolarHBondContact O-N 3.46Å; I477-R480 PolarHBondContact O-N 2.62Å; I477-M481 WeakPolarHBondContact O-CB 3.38Å; I477-M481 PolarHBondContact O-N 3.36Å
478	I	86.9	Confident	88	Confident	79 Å²	79	84.1 Å²	84.1	41%	0.405	43%	0.425	S	S	.	.	H	α-helix	trans	-59.1	-48.6	176.8	-69.6	170.7	0	0	0	109.6	V474 T475 R480 M481 Y482	V474-I478 HydrophobicContact CG1-CD1 3.78Å; V474-I478 HydrophobicContact CG1-CG1 4.42Å; V474-I478 WeakPolarHBondContact O-CG1 2.92Å; V474-I478 PolarHBondContact O-N 2.89Å; T475-I478 PolarHBondContact O-N 3.1Å; I478-R480 VanDerWaalsContact C-N 3.31Å; I478-R480 PolarHBondContact O-N 2.95Å; I478-M481 PolarHBondContact O-N 3Å; I478-Y482 HydrophobicContact CG2-CD2 3.72Å; I478-Y482 HydrophobicContact CG2-CE2 3.99Å; I478-Y482 WeakPolarHBondContact O-CD2 3.26Å; I478-Y482 PolarHBondContact O-N 3.32Å
479	Q	87.4	Confident	87.9	Confident	132 Å²	132	85 Å²	85	62%	0.617	42%	0.418	S	S	*	.	H	α-helix	trans	-57.9	-43.3	176.7	-74.7	175.4	-17.1	0	0	112.1	T475 I477 S483	T475-Q479 HydrophobicContact CG2-CG 4.43Å; T475-Q479 WeakPolarHBondContact O-CB 3.14Å; T475-Q479 VanDerWaalsContact O-CG 3.29Å; T475-Q479 WeakPolarHBondContact O-CG 3.14Å; T475-Q479 PolarHBondContact O-N 2.87Å; I477-Q479 VanDerWaalsContact C-N 3.35Å; I477-Q479 PolarHBondContact O-N 3.46Å; Q479-S483 PolarHBondContact O-N 2.83Å
480	R	85.3	Confident	88.1	Confident	166 Å²	166	84.4 Å²	84.4	63%	0.626	42%	0.418	S	S	*	.	H	α-helix	trans	-65.3	-42.1	176.9	-174.3	178.9	-178.9	170	6.5	112.4	S354 A476 I477 I478 S483	S354-R480 PolarHBondContact OG-NH1 3.49Å; A476-R480 WeakPolarHBondContact O-CB 3.1Å; A476-R480 PolarHBondContact O-N 2.94Å; I477-R480 PolarHBondContact O-N 2.62Å; I478-R480 VanDerWaalsContact C-N 3.31Å; I478-R480 PolarHBondContact O-N 2.95Å; R480-S483 VanDerWaalsContact O-CB 3.26Å; R480-S483 WeakPolarHBondContact O-CB 3.41Å; R480-S483 PolarHBondContact O-N 2.97Å
481	M	82.8	Confident	88.1	Confident	124 Å²	124	91.4 Å²	91.4	61%	0.611	44%	0.443	S	S	*	.	H	α-helix	trans	-63.8	-43.9	178.7	-176.7	177.1	73.1	0	0	111.3	I477 I478 S483	I477-M481 WeakPolarHBondContact O-CB 3.38Å; I477-M481 PolarHBondContact O-N 3.36Å; I478-M481 PolarHBondContact O-N 3Å; M481-S483 VanDerWaalsContact C-N 3.3Å; M481-S483 PolarHBondContact O-N 3.41Å
482	Y	87.2	Confident	88.2	Confident	120 Å²	120	86.6 Å²	86.6	47%	0.471	42%	0.423	S	S	.	.	H	α-helix	trans	-82.6	-1.8	178.3	-76.3	-74.6	0	0	0	114.1	I478 R484 W485 S486	I478-Y482 HydrophobicContact CG2-CD2 3.72Å; I478-Y482 HydrophobicContact CG2-CE2 3.99Å; I478-Y482 WeakPolarHBondContact O-CD2 3.26Å; I478-Y482 PolarHBondContact O-N 3.32Å; Y482-R484 VanDerWaalsContact C-N 3.35Å; Y482-R484 PolarHBondContact O-N 2.87Å; Y482-W485 HydrophobicContact CD1-CB 4.28Å; Y482-W485 HydrophobicContact CD1-CD2 4.3Å; Y482-W485 HydrophobicContact CD1-CE3 4.15Å; Y482-W485 HydrophobicContact CD1-CG 4.38Å; Y482-W485 PolarHBondContact O-N 3.35Å; Y482-S486 VanDerWaalsContact O-CB 3.31Å; Y482-S486 WeakPolarHBondContact O-CB 3.45Å; Y482-S486 PolarHBondContact O-N 3.17Å
483	S	88.2	Confident	88.3	Confident	54 Å²	54	90.9 Å²	90.9	38%	0.378	43%	0.429	S	S	.	.	H	α-helix	trans	-55	-46.7	-177.3	-177.6	0	0	0	0	112.6	Q479 R480 M481 S486 Q487	Q479-S483 PolarHBondContact O-N 2.83Å; R480-S483 VanDerWaalsContact O-CB 3.26Å; R480-S483 WeakPolarHBondContact O-CB 3.41Å; R480-S483 PolarHBondContact O-N 2.97Å; M481-S483 VanDerWaalsContact C-N 3.3Å; M481-S483 PolarHBondContact O-N 3.41Å; S483-S486 WeakPolarHBondContact O-CB 3.47Å; S483-S486 PolarHBondContact O-N 3.49Å; S483-Q487 WeakPolarHBondContact O-CG 3.23Å; S483-Q487 PolarHBondContact O-N 2.95Å
484	R	85	Confident	88.7	Confident	159 Å²	159	91.9 Å²	91.9	60%	0.6	44%	0.435	S	S	*	.	H	α-helix	trans	-66.1	-43.9	178.1	-76.6	-176.3	164	-176	-6.9	112.9	Y482 S486 Q487 Y488	Y482-R484 VanDerWaalsContact C-N 3.35Å; Y482-R484 PolarHBondContact O-N 2.87Å; R484-S486 VanDerWaalsContact C-N 3.29Å; R484-S486 PolarHBondContact O-N 3.26Å; R484-Q487 PolarHBondContact O-N 3.45Å; R484-Y488 PolarHBondContact O-N 3.5Å; R484-Y488 VanDerWaalsContact O-N 3.1Å
485	W	86.7	Confident	88.9	Confident	149 Å²	149	91.1 Å²	91.1	56%	0.564	43%	0.429	S	S	*	.	H	α-helix	trans	-63.3	-39.7	178.1	-176.8	89	0	0	0	111.2	Y482 Y488 H489	Y482-W485 HydrophobicContact CD1-CB 4.28Å; Y482-W485 HydrophobicContact CD1-CD2 4.3Å; Y482-W485 HydrophobicContact CD1-CE3 4.15Å; Y482-W485 HydrophobicContact CD1-CG 4.38Å; Y482-W485 PolarHBondContact O-N 3.35Å; W485-Y488 PolarHBondContact O-N 2.94Å; W485-H489 AromaticContact CD1-CE1 3.75Å; W485-H489 AromaticContact CD2-CE1 3.7Å; W485-H489 AromaticContact CD2-ND1 3.51Å; W485-H489 AromaticContact CE2-CE1 3.05Å; W485-H489 AromaticContact CE2-ND1 3.37Å; W485-H489 AromaticContact CE2-NE2 3.83Å; W485-H489 AromaticContact CE3-ND1 3.94Å; W485-H489 AromaticContact CG-ND1 3.94Å; W485-H489 AromaticContact CZ2-CE1 3.27Å; W485-H489 WeakPolarHBondContact CZ2-CE1 3.35Å; W485-H489 AromaticContact CZ2-ND1 3.67Å; W485-H489 AromaticContact CZ2-NE2 3.56Å; W485-H489 AromaticContact NE1-CE1 3.13Å; W485-H489 PolarHBondContact NE1-CE1 3.15Å; W485-H489 AromaticContact NE1-ND1 3.72Å; W485-H489 PolarHBondContact O-N 3.06Å; W485-H489 VanDerWaalsContact O-N 3.12Å; W485-H489 PolarHBondContact O-ND1 3.13Å
486	S	89.3	Confident	89.1	Confident	60 Å²	60	93.1 Å²	93.1	42%	0.42	43%	0.432	S	S	.	.	H	α-helix	trans	-63	-41.9	174.3	-170.9	0	0	0	0	111.8	Y482 S483 R484 H489 T490	Y482-S486 VanDerWaalsContact O-CB 3.31Å; Y482-S486 WeakPolarHBondContact O-CB 3.45Å; Y482-S486 PolarHBondContact O-N 3.17Å; S483-S486 WeakPolarHBondContact O-CB 3.47Å; S483-S486 PolarHBondContact O-N 3.49Å; R484-S486 VanDerWaalsContact C-N 3.29Å; R484-S486 PolarHBondContact O-N 3.26Å; S486-H489 PolarHBondContact O-N 3.37Å; S486-T490 WeakPolarHBondContact O-CB 2.84Å; S486-T490 PolarHBondContact O-N 3.37Å; S486-T490 PolarHBondContact O-OG1 3.47Å
487	Q	88.4	Confident	89.3	Confident	103 Å²	103	93.5 Å²	93.5	48%	0.481	43%	0.428	S	S	.	.	H	α-helix	trans	-62.2	-45.8	177	-74	173.7	15.6	0	0	111.9	S483 R484 H489 T490 R491 W520	S483-Q487 WeakPolarHBondContact O-CG 3.23Å; S483-Q487 PolarHBondContact O-N 2.95Å; R484-Q487 PolarHBondContact O-N 3.45Å; Q487-H489 PolarHBondContact O-N 3.4Å; Q487-T490 PolarHBondContact O-N 2.79Å; Q487-R491 WeakPolarHBondContact O-CG 3.35Å; Q487-R491 PolarHBondContact O-N 3.01Å; Q487-W520 HydrophobicContact CB-CH2 4.23Å
488	Y	89.3	Confident	89.8	Confident	50 Å²	50	96.4 Å²	96.4	20%	0.196	44%	0.439	C	S	.	.	H	α-helix	trans	-56.6	-48.9	175.3	172.8	-107.8	0	0	0	111.9	R484 W485 R491 T492 F516 W520	R484-Y488 PolarHBondContact O-N 3.5Å; R484-Y488 VanDerWaalsContact O-N 3.1Å; W485-Y488 PolarHBondContact O-N 2.94Å; Y488-R491 PolarHBondContact O-N 2.83Å; Y488-T492 VanDerWaalsContact O-CB 3.3Å; Y488-T492 WeakPolarHBondContact O-CB 3.31Å; Y488-T492 PolarHBondContact O-N 3.3Å; Y488-T492 PolarHBondContact O-OG1 3.5Å; Y488-F516 AromaticContact CD2-CE1 3.9Å; Y488-F516 HydrophobicContact CD2-CE1 3.9Å; Y488-F516 HydrophobicContact CE2-CD1 4.3Å; Y488-F516 AromaticContact CE2-CE1 3.79Å; Y488-F516 HydrophobicContact CE2-CE1 3.79Å; Y488-W520 HydrophobicContact CD2-CB 4.28Å; Y488-W520 AromaticContact CD2-CD1 3.53Å; Y488-W520 AromaticContact CD2-CD2 3.6Å; Y488-W520 HydrophobicContact CD2-CD2 3.6Å; Y488-W520 AromaticContact CD2-CE2 3.68Å; Y488-W520 HydrophobicContact CD2-CE3 4.27Å; Y488-W520 AromaticContact CD2-CG 3.54Å; Y488-W520 HydrophobicContact CD2-CG 3.54Å; Y488-W520 HydrophobicContact CD2-CZ2 4.42Å; Y488-W520 AromaticContact CD2-NE1 3.61Å; Y488-W520 HydrophobicContact CE2-CB 4.27Å; Y488-W520 AromaticContact CE2-CD1 3.96Å; Y488-W520 HydrophobicContact CE2-CD2 4.44Å; Y488-W520 AromaticContact CE2-CG 3.95Å; Y488-W520 HydrophobicContact CE2-CG 3.95Å; Y488-W520 HydrophobicContact CG-CD2 4.4Å; Y488-W520 HydrophobicContact CG-CZ2 4.46Å; Y488-W520 AromaticContact CG-NE1 3.94Å
489	H	90.6	Very high	90.1	Very high	79 Å²	79	93 Å²	93	37%	0.366	42%	0.421	S	S	.	.	H	α-helix	trans	-66.8	-38.8	-179.3	-76.3	78.7	0	0	0	112.3	W485 S486 Q487 T492 K493	W485-H489 AromaticContact CD1-CE1 3.75Å; W485-H489 AromaticContact CD2-CE1 3.7Å; W485-H489 AromaticContact CD2-ND1 3.51Å; W485-H489 AromaticContact CE2-CE1 3.05Å; W485-H489 AromaticContact CE2-ND1 3.37Å; W485-H489 AromaticContact CE2-NE2 3.83Å; W485-H489 AromaticContact CE3-ND1 3.94Å; W485-H489 AromaticContact CG-ND1 3.94Å; W485-H489 AromaticContact CZ2-CE1 3.27Å; W485-H489 WeakPolarHBondContact CZ2-CE1 3.35Å; W485-H489 AromaticContact CZ2-ND1 3.67Å; W485-H489 AromaticContact CZ2-NE2 3.56Å; W485-H489 AromaticContact NE1-CE1 3.13Å; W485-H489 PolarHBondContact NE1-CE1 3.15Å; W485-H489 AromaticContact NE1-ND1 3.72Å; W485-H489 PolarHBondContact O-N 3.06Å; W485-H489 VanDerWaalsContact O-N 3.12Å; W485-H489 PolarHBondContact O-ND1 3.13Å; S486-H489 PolarHBondContact O-N 3.37Å; Q487-H489 PolarHBondContact O-N 3.4Å; H489-T492 PolarHBondContact O-N 3.49Å; H489-K493 VanDerWaalsContact O-CB 3.3Å; H489-K493 WeakPolarHBondContact O-CB 3.37Å; H489-K493 PolarHBondContact O-N 2.74Å
490	T	92.4	Very high	90.4	Very high	71 Å²	71	95.2 Å²	95.2	44%	0.436	42%	0.424	S	S	.	.	H	α-helix	trans	-62.1	-52.3	176.5	-53.9	0	0	0	0	110.1	S486 Q487 T492 K493 D494	S486-T490 WeakPolarHBondContact O-CB 2.84Å; S486-T490 PolarHBondContact O-N 3.37Å; S486-T490 PolarHBondContact O-OG1 3.47Å; Q487-T490 PolarHBondContact O-N 2.79Å; T490-T492 VanDerWaalsContact C-N 3.35Å; T490-T492 PolarHBondContact O-N 2.99Å; T490-K493 WeakPolarHBondContact O-CB 3.23Å; T490-K493 PolarHBondContact O-N 3.14Å; T490-K493 VanDerWaalsContact O-N 3.12Å; T490-D494 PolarHBondContact O-N 3.41Å
491	R	90.3	Very high	90.9	Very high	160 Å²	160	92.3 Å²	92.3	60%	0.604	43%	0.425	S	S	*	.	H	α-helix	trans	-62.4	-39.1	178	-69	-64.3	-166.2	169.3	4	113.1	Q487 Y488 K493 D494 L495 F516	Q487-R491 WeakPolarHBondContact O-CG 3.35Å; Q487-R491 PolarHBondContact O-N 3.01Å; Y488-R491 PolarHBondContact O-N 2.83Å; R491-K493 VanDerWaalsContact C-N 3.32Å; R491-D494 PolarHBondContact O-N 2.91Å; R491-L495 WeakPolarHBondContact O-CB 3.42Å; R491-L495 PolarHBondContact O-N 3.32Å; R491-F516 HydrophobicContact CB-CE1 4.46Å; R491-F516 HydrophobicContact CB-CE2 4.23Å; R491-F516 HydrophobicContact CB-CZ 3.62Å
492	T	90.8	Very high	91.5	Very high	12 Å²	12	91.5 Å²	91.5	7%	0.074	42%	0.419	C	S	.	.	H	α-helix	trans	-65.1	-38	175.7	-57.7	0	0	0	0	111.3	Y488 H489 T490 K496 F516	Y488-T492 VanDerWaalsContact O-CB 3.3Å; Y488-T492 WeakPolarHBondContact O-CB 3.31Å; Y488-T492 PolarHBondContact O-N 3.3Å; Y488-T492 PolarHBondContact O-OG1 3.5Å; H489-T492 PolarHBondContact O-N 3.49Å; T490-T492 VanDerWaalsContact C-N 3.35Å; T490-T492 PolarHBondContact O-N 2.99Å; T492-K496 HydrophobicContact CG2-CD 4.39Å; T492-K496 WeakPolarHBondContact O-CG 3.44Å; T492-K496 PolarHBondContact O-N 3.13Å; T492-F516 WeakPolarHBondContact OG1-CE1 3.43Å
493	K	93.4	Very high	91.8	Very high	131 Å²	131	93.8 Å²	93.8	57%	0.57	43%	0.434	S	S	*	.	H	α-helix	trans	-65.6	-49.7	174.9	-178.8	-179.4	174.2	-178.9	0	110.6	H489 T490 R491 L495 K496 D497	H489-K493 VanDerWaalsContact O-CB 3.3Å; H489-K493 WeakPolarHBondContact O-CB 3.37Å; H489-K493 PolarHBondContact O-N 2.74Å; T490-K493 WeakPolarHBondContact O-CB 3.23Å; T490-K493 PolarHBondContact O-N 3.14Å; T490-K493 VanDerWaalsContact O-N 3.12Å; R491-K493 VanDerWaalsContact C-N 3.32Å; K493-L495 PolarHBondContact O-N 2.86Å; K493-K496 PolarHBondContact O-N 3.43Å; K493-D497 WeakPolarHBondContact CE-OD2 3.21Å; K493-D497 WeakPolarHBondContact O-CB 3.2Å; K493-D497 PolarHBondContact O-N 2.89Å
494	D	94.8	Very high	92.1	Very high	79 Å²	79	93.4 Å²	93.4	42%	0.422	43%	0.427	S	S	.	.	H	α-helix	trans	-55.3	-41.8	177.2	-60.8	-21.3	0	0	0	111.3	T490 R491 D497 F498	T490-D494 PolarHBondContact O-N 3.41Å; R491-D494 PolarHBondContact O-N 2.91Å; D494-D497 PolarHBondContact O-N 3.37Å; D494-F498 WeakPolarHBondContact O-CB 3.17Å; D494-F498 PolarHBondContact O-N 3.11Å
495	L	93.8	Very high	92.5	Very high	28 Å²	28	89.4 Å²	89.4	15%	0.147	42%	0.422	C	S	.	.	H	α-helix	trans	-63.8	-44.7	175.4	177.8	60.5	0	0	0	112.3	R491 K493 D497 F498 I499 M512 L513 F516	R491-L495 WeakPolarHBondContact O-CB 3.42Å; R491-L495 PolarHBondContact O-N 3.32Å; K493-L495 PolarHBondContact O-N 2.86Å; L495-D497 VanDerWaalsContact C-N 3.34Å; L495-F498 WeakPolarHBondContact O-CB 3.23Å; L495-F498 PolarHBondContact O-N 3.47Å; L495-I499 HydrophobicContact CD1-CD1 4.11Å; L495-I499 HydrophobicContact CD1-CG1 4.46Å; L495-I499 HydrophobicContact CG-CD1 3.99Å; L495-I499 WeakPolarHBondContact O-CD1 2.74Å; L495-I499 WeakPolarHBondContact O-CG1 3.47Å; L495-I499 PolarHBondContact O-N 3.27Å; L495-M512 HydrophobicContact CD1-CE 3.79Å; L495-L513 HydrophobicContact CD2-CD2 3.93Å; L495-L513 HydrophobicContact CG-CD2 4.37Å; L495-F516 HydrophobicContact CD2-CB 3.79Å; L495-F516 HydrophobicContact CD2-CD1 4.42Å; L495-F516 HydrophobicContact CD2-CG 3.98Å
496	K	92.7	Very high	92.5	Very high	110 Å²	110	88.7 Å²	88.7	48%	0.478	43%	0.425	S	S	.	.	H	α-helix	trans	-65.2	-38.9	177.2	-75.3	175.2	179.4	-179.9	0	112	T492 K493 I499 R500 L513	T492-K496 HydrophobicContact CG2-CD 4.39Å; T492-K496 WeakPolarHBondContact O-CG 3.44Å; T492-K496 PolarHBondContact O-N 3.13Å; K493-K496 PolarHBondContact O-N 3.43Å; K496-I499 PolarHBondContact O-N 2.79Å; K496-R500 WeakPolarHBondContact O-CB 3.41Å; K496-R500 PolarHBondContact O-N 3.27Å; K496-L513 HydrophobicContact CG-CD2 4.15Å
497	D	94.8	Very high	92.4	Very high	57 Å²	57	90.3 Å²	90.3	31%	0.305	44%	0.436	S	S	.	.	H	α-helix	trans	-67.1	-42.2	177.1	-69.9	-17	0	0	0	110.1	K493 D494 L495 I499 R500 V501	K493-D497 WeakPolarHBondContact CE-OD2 3.21Å; K493-D497 WeakPolarHBondContact O-CB 3.2Å; K493-D497 PolarHBondContact O-N 2.89Å; D494-D497 PolarHBondContact O-N 3.37Å; L495-D497 VanDerWaalsContact C-N 3.34Å; D497-I499 PolarHBondContact O-N 3.38Å; D497-R500 WeakPolarHBondContact O-CB 3.49Å; D497-R500 PolarHBondContact O-N 3.41Å; D497-V501 VanDerWaalsContact O-CG2 3.32Å; D497-V501 WeakPolarHBondContact O-CG2 3.4Å; D497-V501 PolarHBondContact O-N 2.86Å
498	F	95.3	Very high	92.3	Very high	101 Å²	101	88.3 Å²	88.3	44%	0.443	43%	0.428	S	S	.	.	H	α-helix	trans	-57.3	-47.3	172.1	179.3	-94	0	0	0	112.3	D494 L495 R500 V501 H502 L504 M512	D494-F498 WeakPolarHBondContact O-CB 3.17Å; D494-F498 PolarHBondContact O-N 3.11Å; L495-F498 WeakPolarHBondContact O-CB 3.23Å; L495-F498 PolarHBondContact O-N 3.47Å; F498-R500 VanDerWaalsContact C-N 3.27Å; F498-R500 PolarHBondContact O-N 3.38Å; F498-V501 PolarHBondContact O-N 3.18Å; F498-H502 AromaticContact CD2-CD2 3.48Å; F498-H502 VanDerWaalsContact CD2-CD2 3.48Å; F498-H502 WeakPolarHBondContact CD2-CD2 3.49Å; F498-H502 AromaticContact CD2-NE2 3.7Å; F498-H502 AromaticContact CE2-CD2 3.25Å; F498-H502 WeakPolarHBondContact CE2-CD2 3.44Å; F498-H502 AromaticContact CE2-NE2 3.27Å; F498-H502 VanDerWaalsContact CE2-NE2 3.27Å; F498-H502 WeakPolarHBondContact CE2-NE2 3.37Å; F498-H502 AromaticContact CG-CD2 3.96Å; F498-H502 AromaticContact CZ-CD2 3.54Å; F498-H502 AromaticContact CZ-NE2 3.88Å; F498-H502 PolarHBondContact O-CD2 2.98Å; F498-H502 VanDerWaalsContact O-CD2 3.32Å; F498-H502 PolarHBondContact O-N 3.3Å; F498-H502 VanDerWaalsContact O-N 3.1Å; F498-L504 HydrophobicContact CD1-CD1 4.36Å; F498-L504 HydrophobicContact CE1-CD1 4.13Å; F498-M512 HydrophobicContact CD1-CE 4.34Å; F498-M512 HydrophobicContact CE1-CE 4.24Å
499	I	94.3	Very high	92.3	Very high	8 Å²	8	89.4 Å²	89.4	4%	0.041	43%	0.434	C	S	.	.	H	α-helix	trans	-59.9	-39.7	177.5	-70.4	162.8	0	0	0	111.2	L495 K496 D497 H503 L504 K509 M512 L513	L495-I499 HydrophobicContact CD1-CD1 4.11Å; L495-I499 HydrophobicContact CD1-CG1 4.46Å; L495-I499 HydrophobicContact CG-CD1 3.99Å; L495-I499 WeakPolarHBondContact O-CD1 2.74Å; L495-I499 WeakPolarHBondContact O-CG1 3.47Å; L495-I499 PolarHBondContact O-N 3.27Å; K496-I499 PolarHBondContact O-N 2.79Å; D497-I499 PolarHBondContact O-N 3.38Å; I499-H503 PolarHBondContact O-N 3.41Å; I499-L504 HydrophobicContact CB-CD1 4.48Å; I499-L504 HydrophobicContact CG1-CD1 4.06Å; I499-L504 HydrophobicContact CG2-CB 4.29Å; I499-L504 PolarHBondContact O-N 3.43Å; I499-K509 HydrophobicContact CD1-CG 4.14Å; I499-K509 HydrophobicContact CG2-CB 3.85Å; I499-K509 HydrophobicContact CG2-CD 3.74Å; I499-K509 HydrophobicContact CG2-CG 3.76Å; I499-M512 HydrophobicContact CD1-CB 4.49Å; I499-M512 HydrophobicContact CG1-SD 4.29Å; I499-L513 HydrophobicContact CD1-CG 4.34Å
500	R	93.3	Very high	92.2	Very high	179 Å²	179	90.8 Å²	90.8	68%	0.675	44%	0.441	S	S	*	.	H	α-helix	trans	-68.8	-46.8	179.6	-173.3	-174.2	-63.9	173.1	-1.2	111.7	K496 D497 F498 H502 H503	K496-R500 WeakPolarHBondContact O-CB 3.41Å; K496-R500 PolarHBondContact O-N 3.27Å; D497-R500 WeakPolarHBondContact O-CB 3.49Å; D497-R500 PolarHBondContact O-N 3.41Å; F498-R500 VanDerWaalsContact C-N 3.27Å; F498-R500 PolarHBondContact O-N 3.38Å; R500-H502 VanDerWaalsContact C-N 3.34Å; R500-H502 PolarHBondContact O-N 3.01Å; R500-H503 PolarHBondContact O-N 2.99Å
501	V	96.6	Very high	91.8	Very high	105 Å²	105	92.7 Å²	92.7	64%	0.636	44%	0.44	S	S	*	.	H	α-helix	trans	-64.2	-38.4	-178.1	170.4	0	0	0	0	111.7	D497 F498	D497-V501 VanDerWaalsContact O-CG2 3.32Å; D497-V501 WeakPolarHBondContact O-CG2 3.4Å; D497-V501 PolarHBondContact O-N 2.86Å; F498-V501 PolarHBondContact O-N 3.18Å
502	H	95.1	Very high	91.7	Very high	106 Å²	106	87.7 Å²	87.7	49%	0.491	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	4.5	-178.9	-69.7	-70.3	0	0	0	114.4	F498 R500 L504	F498-H502 AromaticContact CD2-CD2 3.48Å; F498-H502 VanDerWaalsContact CD2-CD2 3.48Å; F498-H502 WeakPolarHBondContact CD2-CD2 3.49Å; F498-H502 AromaticContact CD2-NE2 3.7Å; F498-H502 AromaticContact CE2-CD2 3.25Å; F498-H502 WeakPolarHBondContact CE2-CD2 3.44Å; F498-H502 AromaticContact CE2-NE2 3.27Å; F498-H502 VanDerWaalsContact CE2-NE2 3.27Å; F498-H502 WeakPolarHBondContact CE2-NE2 3.37Å; F498-H502 AromaticContact CG-CD2 3.96Å; F498-H502 AromaticContact CZ-CD2 3.54Å; F498-H502 AromaticContact CZ-NE2 3.88Å; F498-H502 PolarHBondContact O-CD2 2.98Å; F498-H502 VanDerWaalsContact O-CD2 3.32Å; F498-H502 PolarHBondContact O-N 3.3Å; F498-H502 VanDerWaalsContact O-N 3.1Å; R500-H502 VanDerWaalsContact C-N 3.34Å; R500-H502 PolarHBondContact O-N 3.01Å; H502-L504 VanDerWaalsContact C-N 3.28Å; H502-L504 HydrophobicContact CB-CD2 3.99Å; H502-L504 HydrophobicContact CB-CG 4.07Å; H502-L504 PolarHBondContact O-N 3.33Å
503	H	93.5	Very high	91.6	Very high	169 Å²	169	88.5 Å²	88.5	78%	0.782	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	46.9	-179.5	-60.3	-70.5	0	0	0	113.6	I499 R500	I499-H503 PolarHBondContact O-N 3.41Å; R500-H503 PolarHBondContact O-N 2.99Å
504	L	93.2	Very high	91.2	Very high	45 Å²	45	85.6 Å²	85.6	24%	0.236	42%	0.416	C	S	.	.			trans	-69.3	144	-176.5	-59.4	-178.8	0	0	0	111.7	F498 I499 H502 L508 M512	F498-L504 HydrophobicContact CD1-CD1 4.36Å; F498-L504 HydrophobicContact CE1-CD1 4.13Å; I499-L504 HydrophobicContact CB-CD1 4.48Å; I499-L504 HydrophobicContact CG1-CD1 4.06Å; I499-L504 HydrophobicContact CG2-CB 4.29Å; I499-L504 PolarHBondContact O-N 3.43Å; H502-L504 VanDerWaalsContact C-N 3.28Å; H502-L504 HydrophobicContact CB-CD2 3.99Å; H502-L504 HydrophobicContact CB-CG 4.07Å; H502-L504 PolarHBondContact O-N 3.33Å; L504-L508 HydrophobicContact CD1-CD2 4.4Å; L504-L508 HydrophobicContact CD2-CD2 4.32Å; L504-M512 HydrophobicContact CD1-CE 4.49Å; L504-M512 HydrophobicContact CD1-SD 3.69Å
505	P	93.4	Very high	90.6	Very high	76 Å²	76	87 Å²	87	49%	0.494	42%	0.416	S	S	.	.			trans	-62.8	147.9	179.7	24.9	-32.8	0	0	0	111.6	S507 L508 K509	P505-S507 PolarHBondContact O-N 3.02Å; P505-S507 VanDerWaalsContact O-N 3.15Å; P505-L508 HydrophobicContact CG-CB 3.91Å; P505-L508 PolarHBondContact O-N 2.96Å; P505-K509 PolarHBondContact O-N 3.18Å
506	Q	87.6	Confident	90.2	Very high	133 Å²	133	87.8 Å²	87.8	62%	0.621	42%	0.419	S	S	*	.	H	α-helix	trans	-56.7	-35.1	-173.6	-172.5	74.2	-9.5	0	0	113.1	K509 Q510	Q506-K509 PolarHBondContact O-N 2.93Å; Q506-Q510 PolarHBondContact O-N 2.95Å
507	S	85.8	Confident	90	Very high	94 Å²	94	87.1 Å²	87.1	66%	0.657	42%	0.417	S	S	*	.	H	α-helix	trans	-65.2	-42.6	176.5	54	0	0	0	0	112.7	P505 R511	P505-S507 PolarHBondContact O-N 3.02Å; P505-S507 VanDerWaalsContact O-N 3.15Å; S507-R511 PolarHBondContact O-N 3.22Å
508	L	87.7	Confident	89.3	Confident	61 Å²	61	86.1 Å²	86.1	32%	0.319	41%	0.413	S	S	.	.	H	α-helix	trans	-70.9	-39.2	176.8	-174.9	63.5	0	0	0	111.2	L504 P505 Q510 R511 M512	L504-L508 HydrophobicContact CD1-CD2 4.4Å; L504-L508 HydrophobicContact CD2-CD2 4.32Å; P505-L508 HydrophobicContact CG-CB 3.91Å; P505-L508 PolarHBondContact O-N 2.96Å; L508-Q510 PolarHBondContact O-N 3.17Å; L508-R511 PolarHBondContact O-N 3.25Å; L508-M512 HydrophobicContact CD1-CG 4.48Å; L508-M512 HydrophobicContact CG-CG 4.39Å; L508-M512 HydrophobicContact CG-SD 4.23Å; L508-M512 VanDerWaalsContact O-CG 3.31Å; L508-M512 WeakPolarHBondContact O-CG 3.49Å; L508-M512 PolarHBondContact O-N 3.37Å
509	K	88.5	Confident	88.7	Confident	73 Å²	73	83 Å²	83	32%	0.317	40%	0.403	S	S	.	.	H	α-helix	trans	-56.9	-49.5	174.7	166	178.9	-179.5	-169.2	0	111.9	I499 P505 Q506 R511 M512 L513	I499-K509 HydrophobicContact CD1-CG 4.14Å; I499-K509 HydrophobicContact CG2-CB 3.85Å; I499-K509 HydrophobicContact CG2-CD 3.74Å; I499-K509 HydrophobicContact CG2-CG 3.76Å; P505-K509 PolarHBondContact O-N 3.18Å; Q506-K509 PolarHBondContact O-N 2.93Å; K509-R511 VanDerWaalsContact C-N 3.33Å; K509-M512 PolarHBondContact O-N 3.45Å; K509-L513 HydrophobicContact CG-CD1 4.03Å; K509-L513 WeakPolarHBondContact O-CG 3.31Å; K509-L513 PolarHBondContact O-N 2.75Å; K509-L513 VanDerWaalsContact O-N 3.09Å
510	Q	87.9	Confident	88.3	Confident	109 Å²	109	85.1 Å²	85.1	51%	0.509	41%	0.41	S	S	.	.	H	α-helix	trans	-60.5	-46.4	178.9	-178.1	171.6	-6	0	0	110.6	Q506 L508 M512 L513 E514	Q506-Q510 PolarHBondContact O-N 2.95Å; L508-Q510 PolarHBondContact O-N 3.17Å; Q510-M512 PolarHBondContact O-N 3.4Å; Q510-L513 PolarHBondContact O-N 2.89Å; Q510-E514 HydrophobicContact CG-CG 4.38Å; Q510-E514 WeakPolarHBondContact CG-OE1 3.35Å; Q510-E514 PolarHBondContact NE2-OE1 3.41Å; Q510-E514 WeakPolarHBondContact O-CG 3.24Å; Q510-E514 PolarHBondContact O-N 3.44Å
511	R	84.4	Confident	87.8	Confident	111 Å²	111	80.4 Å²	80.4	42%	0.419	40%	0.404	S	S	.	.	H	α-helix	trans	-58.8	-45.3	176.7	-178.9	174.9	162.3	-156.2	-5	113.1	S507 L508 K509 L513 Y515 E581	S507-R511 PolarHBondContact O-N 3.22Å; L508-R511 PolarHBondContact O-N 3.25Å; K509-R511 VanDerWaalsContact C-N 3.33Å; R511-L513 VanDerWaalsContact C-N 3.33Å; R511-L513 PolarHBondContact O-N 3.48Å; R511-Y515 VanDerWaalsContact O-CB 3.25Å; R511-Y515 WeakPolarHBondContact O-CB 3.26Å; R511-Y515 PolarHBondContact O-N 3.48Å; R511-E581 IonicContact CZ-OE1 3.05Å; R511-E581 IonicContact NE-OE1 3.43Å; R511-E581 PolarHBondContact NE-OE1 3.33Å; R511-E581 IonicContact NH2-OE1 3.72Å; R511-E581 PolarHBondContact NH2-OE1 3.18Å
512	M	87.8	Confident	87	Confident	54 Å²	54	79.9 Å²	79.9	27%	0.266	40%	0.402	S	S	.	.	H	α-helix	trans	-63.3	-39.6	178.5	-71.6	178.5	83	0	0	112.1	L495 F498 I499 L504 L508 K509 Q510 F516	L495-M512 HydrophobicContact CD1-CE 3.79Å; F498-M512 HydrophobicContact CD1-CE 4.34Å; F498-M512 HydrophobicContact CE1-CE 4.24Å; I499-M512 HydrophobicContact CD1-CB 4.49Å; I499-M512 HydrophobicContact CG1-SD 4.29Å; L504-M512 HydrophobicContact CD1-CE 4.49Å; L504-M512 HydrophobicContact CD1-SD 3.69Å; L508-M512 HydrophobicContact CD1-CG 4.48Å; L508-M512 HydrophobicContact CG-CG 4.39Å; L508-M512 HydrophobicContact CG-SD 4.23Å; L508-M512 VanDerWaalsContact O-CG 3.31Å; L508-M512 WeakPolarHBondContact O-CG 3.49Å; L508-M512 PolarHBondContact O-N 3.37Å; K509-M512 PolarHBondContact O-N 3.45Å; Q510-M512 PolarHBondContact O-N 3.4Å; M512-F516 WeakPolarHBondContact O-CB 3.25Å; M512-F516 PolarHBondContact O-N 2.9Å
513	L	88.8	Confident	86.3	Confident	29 Å²	29	78 Å²	78	15%	0.152	40%	0.395	C	S	.	.	H	α-helix	trans	-70.2	-45.6	179	-71.5	169.7	0	0	0	111.9	L495 K496 I499 K509 Q510 R511 F516 Q517	L495-L513 HydrophobicContact CD2-CD2 3.93Å; L495-L513 HydrophobicContact CG-CD2 4.37Å; K496-L513 HydrophobicContact CG-CD2 4.15Å; I499-L513 HydrophobicContact CD1-CG 4.34Å; K509-L513 HydrophobicContact CG-CD1 4.03Å; K509-L513 WeakPolarHBondContact O-CG 3.31Å; K509-L513 PolarHBondContact O-N 2.75Å; K509-L513 VanDerWaalsContact O-N 3.09Å; Q510-L513 PolarHBondContact O-N 2.89Å; R511-L513 VanDerWaalsContact C-N 3.33Å; R511-L513 PolarHBondContact O-N 3.48Å; L513-F516 PolarHBondContact O-N 3.13Å; L513-Q517 WeakPolarHBondContact O-CB 3.39Å; L513-Q517 VanDerWaalsContact O-CG 3.28Å; L513-Q517 WeakPolarHBondContact O-CG 3.36Å; L513-Q517 PolarHBondContact O-N 3.05Å
514	E	84.8	Confident	85.6	Confident	71 Å²	71	74.7 Å²	74.7	33%	0.332	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-42.4	177.2	-74.4	173.6	-172.5	0	0	111.5	Q510 F516 Q517 T518	Q510-E514 HydrophobicContact CG-CG 4.38Å; Q510-E514 WeakPolarHBondContact CG-OE1 3.35Å; Q510-E514 PolarHBondContact NE2-OE1 3.41Å; Q510-E514 WeakPolarHBondContact O-CG 3.24Å; Q510-E514 PolarHBondContact O-N 3.44Å; E514-F516 PolarHBondContact O-N 3.15Å; E514-Q517 PolarHBondContact O-N 3.26Å; E514-T518 WeakPolarHBondContact O-CB 3.48Å; E514-T518 PolarHBondContact O-N 3.24Å; E514-T518 PolarHBondContact O-OG1 3.05Å
515	Y	82.8	Confident	84.9	Confident	108 Å²	108	74 Å²	74	42%	0.424	39%	0.386	S	S	.	.	H	α-helix	trans	-58.6	-48.1	173.4	174	-96.6	0	0	0	111.6	R511 T518 T519 F576	R511-Y515 VanDerWaalsContact O-CB 3.25Å; R511-Y515 WeakPolarHBondContact O-CB 3.26Å; R511-Y515 PolarHBondContact O-N 3.48Å; Y515-T518 PolarHBondContact O-N 2.91Å; Y515-T519 VanDerWaalsContact O-CB 3.27Å; Y515-T519 WeakPolarHBondContact O-CB 3.36Å; Y515-T519 PolarHBondContact O-N 3.01Å; Y515-T519 PolarHBondContact O-OG1 2.83Å; Y515-F576 HydrophobicContact CD2-CD1 4.29Å; Y515-F576 HydrophobicContact CE2-CB 4.46Å
516	F	86.8	Confident	84.4	Confident	45 Å²	45	73.9 Å²	73.9	20%	0.197	38%	0.381	C	S	.	.	H	α-helix	trans	-64.5	-44.2	-179.7	-178	-98.3	0	0	0	112	Y488 R491 T492 L495 M512 L513 E514 W520	Y488-F516 AromaticContact CD2-CE1 3.9Å; Y488-F516 HydrophobicContact CD2-CE1 3.9Å; Y488-F516 HydrophobicContact CE2-CD1 4.3Å; Y488-F516 AromaticContact CE2-CE1 3.79Å; Y488-F516 HydrophobicContact CE2-CE1 3.79Å; R491-F516 HydrophobicContact CB-CE1 4.46Å; R491-F516 HydrophobicContact CB-CE2 4.23Å; R491-F516 HydrophobicContact CB-CZ 3.62Å; T492-F516 WeakPolarHBondContact OG1-CE1 3.43Å; L495-F516 HydrophobicContact CD2-CB 3.79Å; L495-F516 HydrophobicContact CD2-CD1 4.42Å; L495-F516 HydrophobicContact CD2-CG 3.98Å; M512-F516 WeakPolarHBondContact O-CB 3.25Å; M512-F516 PolarHBondContact O-N 2.9Å; L513-F516 PolarHBondContact O-N 3.13Å; E514-F516 PolarHBondContact O-N 3.15Å; F516-W520 AromaticContact CZ-CE3 4Å; F516-W520 HydrophobicContact CZ-CE3 4Å; F516-W520 VanDerWaalsContact O-CB 3.25Å; F516-W520 WeakPolarHBondContact O-CB 3.49Å; F516-W520 PolarHBondContact O-N 3.29Å
517	Q	86.6	Confident	84	Confident	96 Å²	96	71.6 Å²	71.6	45%	0.449	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-44.3	178.3	-75	177.4	-4.9	0	0	112.1	L513 E514 W520 S521	L513-Q517 WeakPolarHBondContact O-CB 3.39Å; L513-Q517 VanDerWaalsContact O-CG 3.28Å; L513-Q517 WeakPolarHBondContact O-CG 3.36Å; L513-Q517 PolarHBondContact O-N 3.05Å; E514-Q517 PolarHBondContact O-N 3.26Å; Q517-W520 PolarHBondContact O-N 3.37Å; Q517-S521 PolarHBondContact O-N 3.23Å; Q517-S521 PolarHBondContact O-OG 2.97Å
518	T	81.6	Confident	83.8	Confident	35 Å²	35	70 Å²	70	22%	0.215	36%	0.361	C	S	.	.	H	α-helix	trans	-69.8	-43.4	-179.8	-51	0	0	0	0	111.2	E514 Y515 W520 S521 V522 F576	E514-T518 WeakPolarHBondContact O-CB 3.48Å; E514-T518 PolarHBondContact O-N 3.24Å; E514-T518 PolarHBondContact O-OG1 3.05Å; Y515-T518 PolarHBondContact O-N 2.91Å; T518-W520 VanDerWaalsContact C-N 3.27Å; T518-W520 PolarHBondContact O-N 2.89Å; T518-S521 PolarHBondContact O-N 3.39Å; T518-S521 PolarHBondContact O-OG 3.29Å; T518-V522 WeakPolarHBondContact O-CG2 3.23Å; T518-V522 PolarHBondContact O-N 2.87Å; T518-V522 VanDerWaalsContact O-N 3.08Å; T518-F576 HydrophobicContact CG2-CD1 4.42Å; T518-F576 HydrophobicContact CG2-CE1 3.53Å; T518-F576 HydrophobicContact CG2-CE2 4.18Å; T518-F576 HydrophobicContact CG2-CZ 3.36Å
519	T	82.1	Confident	83.5	Confident	37 Å²	37	71.7 Å²	71.7	23%	0.227	37%	0.371	C	S	.	.	H	α-helix	trans	-61.2	-40.4	175	-57.4	0	0	0	0	111	Y515 N523	Y515-T519 VanDerWaalsContact O-CB 3.27Å; Y515-T519 WeakPolarHBondContact O-CB 3.36Å; Y515-T519 PolarHBondContact O-N 3.01Å; Y515-T519 PolarHBondContact O-OG1 2.83Å; T519-N523 WeakPolarHBondContact O-CB 3.47Å; T519-N523 PolarHBondContact O-N 3.27Å
520	W	85.2	Confident	83.3	Confident	52 Å²	52	74.5 Å²	74.5	20%	0.197	39%	0.385	C	S	.	.	H	α-helix	trans	-68.5	-38.3	177.9	-171.8	-85.3	0	0	0	112.8	Q487 Y488 F516 Q517 T518 N524	Q487-W520 HydrophobicContact CB-CH2 4.23Å; Y488-W520 HydrophobicContact CD2-CB 4.28Å; Y488-W520 AromaticContact CD2-CD1 3.53Å; Y488-W520 AromaticContact CD2-CD2 3.6Å; Y488-W520 HydrophobicContact CD2-CD2 3.6Å; Y488-W520 AromaticContact CD2-CE2 3.68Å; Y488-W520 HydrophobicContact CD2-CE3 4.27Å; Y488-W520 AromaticContact CD2-CG 3.54Å; Y488-W520 HydrophobicContact CD2-CG 3.54Å; Y488-W520 HydrophobicContact CD2-CZ2 4.42Å; Y488-W520 AromaticContact CD2-NE1 3.61Å; Y488-W520 HydrophobicContact CE2-CB 4.27Å; Y488-W520 AromaticContact CE2-CD1 3.96Å; Y488-W520 HydrophobicContact CE2-CD2 4.44Å; Y488-W520 AromaticContact CE2-CG 3.95Å; Y488-W520 HydrophobicContact CE2-CG 3.95Å; Y488-W520 HydrophobicContact CG-CD2 4.4Å; Y488-W520 HydrophobicContact CG-CZ2 4.46Å; Y488-W520 AromaticContact CG-NE1 3.94Å; F516-W520 AromaticContact CZ-CE3 4Å; F516-W520 HydrophobicContact CZ-CE3 4Å; F516-W520 VanDerWaalsContact O-CB 3.25Å; F516-W520 WeakPolarHBondContact O-CB 3.49Å; F516-W520 PolarHBondContact O-N 3.29Å; Q517-W520 PolarHBondContact O-N 3.37Å; T518-W520 VanDerWaalsContact C-N 3.27Å; T518-W520 PolarHBondContact O-N 2.89Å; W520-N524 WeakPolarHBondContact O-CA 3.49Å; W520-N524 PolarHBondContact O-N 3.49Å
521	S	84.1	Confident	83.3	Confident	79 Å²	79	73.4 Å²	73.4	55%	0.552	38%	0.382	S	S	*	.	H	α-helix	trans	-67.4	-36.9	178.4	68.9	0	0	0	0	112.2	Q517 T518	Q517-S521 PolarHBondContact O-N 3.23Å; Q517-S521 PolarHBondContact O-OG 2.97Å; T518-S521 PolarHBondContact O-N 3.39Å; T518-S521 PolarHBondContact O-OG 3.29Å
522	V	79.9	Confident	83.4	Confident	95 Å²	95	69 Å²	69	58%	0.576	37%	0.367	S	S	*	.	H	α-helix	trans	-74.4	-49	177.6	177.7	0	0	0	0	111.3	T518	T518-V522 WeakPolarHBondContact O-CG2 3.23Å; T518-V522 PolarHBondContact O-N 2.87Å; T518-V522 VanDerWaalsContact O-N 3.08Å
523	N	80.2	Confident	83.4	Confident	65 Å²	65	73.9 Å²	73.9	35%	0.348	39%	0.387	S	S	.	.	H	α-helix	trans	-90.6	-4.1	-173.4	-67	-10.2	0	0	0	114	T519 G525 I526	T519-N523 WeakPolarHBondContact O-CB 3.47Å; T519-N523 PolarHBondContact O-N 3.27Å; N523-G525 PolarHBondContact O-N 2.68Å; N523-I526 PolarHBondContact O-N 3.2Å
524	N	79.6	Confident	83.4	Confident	100 Å²	100	79 Å²	79	54%	0.535	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	25.1	-170.5	-68.5	-64.6	0	0	0	113.9	W520	W520-N524 WeakPolarHBondContact O-CA 3.49Å; W520-N524 PolarHBondContact O-N 3.49Å
525	G	76.9	Confident	83.6	Confident	30 Å²	30	79.5 Å²	79.5	31%	0.309	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	16.5	-177.2	0	0	0	0	0	116.1	N523	N523-G525 PolarHBondContact O-N 2.68Å
526	I	83.1	Confident	83.9	Confident	74 Å²	74	78.2 Å²	78.2	38%	0.379	42%	0.42	S	S	.	.			trans	-94.7	122	178.5	-56.4	173	0	0	0	109.2	N523 C528 L531	N523-I526 PolarHBondContact O-N 3.2Å; I526-C528 PolarHBondContact O-N 3.35Å; I526-L531 HydrophobicContact CG2-CD2 4.14Å
527	D	80.6	Confident	83.9	Confident	86 Å²	86	80.9 Å²	80.9	46%	0.46	44%	0.437	S	S	.	.			trans	-80.9	108	168.2	-171.1	-11.8	0	0	0	109.5	N529 E530 L531	D527-N529 PolarHBondContact O-N 3.07Å; D527-N529 WeakPolarHBondContact OD1-CB 3.35Å; D527-N529 PolarHBondContact OD1-N 2.86Å; D527-E530 HydrophobicContact CB-CB 4.12Å; D527-E530 PolarHBondContact O-N 2.85Å; D527-L531 PolarHBondContact O-N 2.86Å; D527-L531 VanDerWaalsContact O-N 3.11Å
528	C	80.9	Confident	83.8	Confident	60 Å²	60	83.9 Å²	83.9	41%	0.405	45%	0.451	S	S	.	.	H	α-helix	trans	-58.1	-35.7	178.1	-63.5	0	0	0	0	111.9	I526 L531 L532	I526-C528 PolarHBondContact O-N 3.35Å; C528-L531 PolarHBondContact O-N 2.97Å; C528-L532 VanDerWaalsContact O-CB 3.25Å; C528-L532 WeakPolarHBondContact O-CB 3.36Å; C528-L532 WeakPolarHBondContact O-CD1 3.39Å; C528-L532 WeakPolarHBondContact O-CG 3.44Å; C528-L532 PolarHBondContact O-N 3.24Å
529	N	80.3	Confident	84.2	Confident	96 Å²	96	86.5 Å²	86.5	51%	0.513	46%	0.463	S	S	.	.	H	α-helix	trans	-73	-32.1	-176.3	-67	-39.6	0	0	0	112.4	D527 K533	D527-N529 PolarHBondContact O-N 3.07Å; D527-N529 WeakPolarHBondContact OD1-CB 3.35Å; D527-N529 PolarHBondContact OD1-N 2.86Å; N529-K533 WeakPolarHBondContact O-CG 3.41Å
530	E	85.7	Confident	84.6	Confident	133 Å²	133	87.9 Å²	87.9	62%	0.621	46%	0.464	S	S	*	.	H	α-helix	trans	-73.1	-46.2	174.6	-168	174.8	-169.9	0	0	110.4	D527 L532 K533	D527-E530 HydrophobicContact CB-CB 4.12Å; D527-E530 PolarHBondContact O-N 2.85Å; E530-L532 VanDerWaalsContact C-N 3.28Å; E530-L532 PolarHBondContact O-N 3.36Å; E530-K533 WeakPolarHBondContact O-CB 3.42Å; E530-K533 PolarHBondContact O-N 2.9Å; E530-K533 VanDerWaalsContact O-N 3.11Å
531	L	87.8	Confident	84.7	Confident	85 Å²	85	86.1 Å²	86.1	45%	0.445	46%	0.459	S	S	.	.	H	α-helix	trans	-60.2	-38.2	177.6	-178.5	63.5	0	0	0	112.4	I526 D527 C528 K533 D534 F535	I526-L531 HydrophobicContact CG2-CD2 4.14Å; D527-L531 PolarHBondContact O-N 2.86Å; D527-L531 VanDerWaalsContact O-N 3.11Å; C528-L531 PolarHBondContact O-N 2.97Å; L531-K533 PolarHBondContact O-N 3.03Å; L531-D534 PolarHBondContact O-N 2.98Å; L531-F535 HydrophobicContact CD1-CE2 4.3Å; L531-F535 HydrophobicContact CG-CE2 4.19Å; L531-F535 VanDerWaalsContact O-CD2 3.28Å; L531-F535 WeakPolarHBondContact O-CD2 3.21Å; L531-F535 WeakPolarHBondContact O-CE2 3.46Å
532	L	86.9	Confident	85	Confident	20 Å²	20	85.3 Å²	85.3	11%	0.105	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-68.9	-17.5	179.8	-75.9	172.1	0	0	0	113.6	C528 E530 D534 R540 I543	C528-L532 VanDerWaalsContact O-CB 3.25Å; C528-L532 WeakPolarHBondContact O-CB 3.36Å; C528-L532 WeakPolarHBondContact O-CD1 3.39Å; C528-L532 WeakPolarHBondContact O-CG 3.44Å; C528-L532 PolarHBondContact O-N 3.24Å; E530-L532 VanDerWaalsContact C-N 3.28Å; E530-L532 PolarHBondContact O-N 3.36Å; L532-D534 VanDerWaalsContact C-N 3.33Å; L532-R540 HydrophobicContact CB-CG 4.05Å; L532-R540 HydrophobicContact CD2-CG 4.21Å; L532-R540 WeakPolarHBondContact O-CD 3.42Å; L532-I543 HydrophobicContact CD2-CB 4.15Å; L532-I543 HydrophobicContact CD2-CD1 4.38Å; L532-I543 HydrophobicContact CD2-CG2 3.75Å
533	K	86.1	Confident	85.6	Confident	156 Å²	156	83.7 Å²	83.7	68%	0.678	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-74.1	-23.6	176.6	-70.9	169.8	-174.2	174.9	0	113.2	N529 E530 L531 F535	N529-K533 WeakPolarHBondContact O-CG 3.41Å; E530-K533 WeakPolarHBondContact O-CB 3.42Å; E530-K533 PolarHBondContact O-N 2.9Å; E530-K533 VanDerWaalsContact O-N 3.11Å; L531-K533 PolarHBondContact O-N 3.03Å; K533-F535 PolarHBondContact O-N 3.48Å
534	D	88.8	Confident	86	Confident	135 Å²	135	81.1 Å²	81.1	72%	0.722	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-72.8	-16.7	179.2	-68	-21	0	0	0	112.6	L531 L532	L531-D534 PolarHBondContact O-N 2.98Å; L532-D534 VanDerWaalsContact C-N 3.33Å
535	F	89.3	Confident	86.5	Confident	83 Å²	83	78.6 Å²	78.6	36%	0.364	41%	0.409	S	S	.	.	S	Bend	trans	-97.8	148.5	-178.2	-60.8	-76.8	0	0	0	112.1	L531 K533 L539 I543	L531-F535 HydrophobicContact CD1-CE2 4.3Å; L531-F535 HydrophobicContact CG-CE2 4.19Å; L531-F535 VanDerWaalsContact O-CD2 3.28Å; L531-F535 WeakPolarHBondContact O-CD2 3.21Å; L531-F535 WeakPolarHBondContact O-CE2 3.46Å; K533-F535 PolarHBondContact O-N 3.48Å; F535-L539 HydrophobicContact CB-CB 4.45Å; F535-I543 HydrophobicContact CD2-CD1 4.35Å; F535-I543 HydrophobicContact CG-CD1 4.36Å
536	P	90.4	Very high	87.2	Confident	81 Å²	81	83.9 Å²	83.9	53%	0.526	43%	0.425	S	S	.	.			trans	-64.1	153.8	173.4	28	-34.7	0	0	0	111.3	E538 L539 R540	P536-E538 VanDerWaalsContact C-N 3.25Å; P536-E538 PolarHBondContact O-N 2.99Å; P536-E538 VanDerWaalsContact O-N 3.11Å; P536-L539 HydrophobicContact CG-CB 4.11Å; P536-L539 HydrophobicContact CG-CD1 3.82Å; P536-L539 HydrophobicContact CG-CG 4.04Å; P536-L539 PolarHBondContact O-N 3.47Å; P536-R540 PolarHBondContact O-N 3.23Å
537	D	85.7	Confident	87.4	Confident	101 Å²	101	85.1 Å²	85.1	54%	0.54	43%	0.432	S	S	.	.	H	α-helix	trans	-54.9	-35.6	-172	-66.1	-27.1	0	0	0	114	R540 S541	D537-R540 IonicContact OD1-CZ 2.77Å; D537-R540 IonicContact OD1-NH1 3Å; D537-R540 PolarHBondContact OD1-NH1 2.96Å; D537-R540 IonicContact OD1-NH2 3.43Å; D537-R540 PolarHBondContact OD1-NH2 3.39Å; D537-S541 WeakPolarHBondContact O-CB 3.31Å; D537-S541 PolarHBondContact O-N 3.46Å; D537-S541 PolarHBondContact O-OG 3Å
538	E	84.8	Confident	87.8	Confident	159 Å²	159	81.5 Å²	81.5	74%	0.743	41%	0.412	S	S	*	.	H	α-helix	trans	-64.3	-49.9	176.9	-66.6	-172	171.6	0	0	112.1	P536 R540 S541 D542	P536-E538 VanDerWaalsContact C-N 3.25Å; P536-E538 PolarHBondContact O-N 2.99Å; P536-E538 VanDerWaalsContact O-N 3.11Å; E538-R540 VanDerWaalsContact C-N 3.35Å; E538-S541 PolarHBondContact O-N 2.96Å; E538-D542 PolarHBondContact O-N 3.24Å
539	L	89.3	Confident	88.1	Confident	90 Å²	90	83.6 Å²	83.6	47%	0.471	42%	0.415	S	S	.	.	H	α-helix	trans	-67.9	-38.2	177.9	-72.1	179.5	0	0	0	111.1	F535 P536 S541 D542 I543	F535-L539 HydrophobicContact CB-CB 4.45Å; P536-L539 HydrophobicContact CG-CB 4.11Å; P536-L539 HydrophobicContact CG-CD1 3.82Å; P536-L539 HydrophobicContact CG-CG 4.04Å; P536-L539 PolarHBondContact O-N 3.47Å; L539-S541 VanDerWaalsContact C-N 3.29Å; L539-S541 PolarHBondContact O-N 3.27Å; L539-D542 PolarHBondContact O-N 2.93Å; L539-I543 WeakPolarHBondContact O-CB 3.22Å; L539-I543 WeakPolarHBondContact O-CD1 3.3Å; L539-I543 WeakPolarHBondContact O-CG1 3.37Å; L539-I543 PolarHBondContact O-N 3.42Å
540	R	90.7	Very high	88.2	Confident	65 Å²	65	86.1 Å²	86.1	25%	0.245	42%	0.423	C	S	.	.	H	α-helix	trans	-57.7	-46.1	174.9	-172.7	176.6	70.8	-135.1	-4.1	110.7	L532 P536 D537 E538 I543 T544 L570	L532-R540 HydrophobicContact CB-CG 4.05Å; L532-R540 HydrophobicContact CD2-CG 4.21Å; L532-R540 WeakPolarHBondContact O-CD 3.42Å; P536-R540 PolarHBondContact O-N 3.23Å; D537-R540 IonicContact OD1-CZ 2.77Å; D537-R540 IonicContact OD1-NH1 3Å; D537-R540 PolarHBondContact OD1-NH1 2.96Å; D537-R540 IonicContact OD1-NH2 3.43Å; D537-R540 PolarHBondContact OD1-NH2 3.39Å; E538-R540 VanDerWaalsContact C-N 3.35Å; R540-I543 PolarHBondContact O-N 3.26Å; R540-T544 VanDerWaalsContact O-CB 3.3Å; R540-T544 WeakPolarHBondContact O-CB 3.22Å; R540-T544 PolarHBondContact O-N 3.41Å; R540-T544 PolarHBondContact O-OG1 2.84Å; R540-L570 HydrophobicContact CG-CD2 3.91Å
541	S	88.8	Confident	88.2	Confident	15 Å²	15	80 Å²	80	11%	0.105	40%	0.395	C	S	.	.	H	α-helix	trans	-64.3	-42.5	178.4	-56	0	0	0	0	111.8	D537 E538 L539 T544 M545	D537-S541 WeakPolarHBondContact O-CB 3.31Å; D537-S541 PolarHBondContact O-N 3.46Å; D537-S541 PolarHBondContact O-OG 3Å; E538-S541 PolarHBondContact O-N 2.96Å; L539-S541 VanDerWaalsContact C-N 3.29Å; L539-S541 PolarHBondContact O-N 3.27Å; S541-T544 PolarHBondContact O-N 2.85Å; S541-M545 WeakPolarHBondContact O-CB 3.19Å; S541-M545 PolarHBondContact O-N 3.43Å
542	D	90	Very high	88	Confident	63 Å²	63	76.7 Å²	76.7	34%	0.337	38%	0.378	S	S	.	.	H	α-helix	trans	-68.1	-39.6	178.8	-76.7	-16	0	0	0	112.7	E538 L539 H546 R566	E538-D542 PolarHBondContact O-N 3.24Å; L539-D542 PolarHBondContact O-N 2.93Å; D542-H546 PolarHBondContact O-N 3.44Å; D542-R566 IonicContact OD1-CZ 2.78Å; D542-R566 IonicContact OD1-NE 3.05Å; D542-R566 PolarHBondContact OD1-NE 2.77Å; D542-R566 IonicContact OD1-NH2 2.63Å; D542-R566 PolarHBondContact OD1-NH2 3.46Å; D542-R566 IonicContact OD2-NH2 3.2Å; D542-R566 PolarHBondContact OD2-NH2 2.81Å
543	I	91.6	Very high	87.9	Confident	60 Å²	60	82 Å²	82	31%	0.308	40%	0.402	S	S	.	.	H	α-helix	trans	-64	-47.3	174.1	-66.6	162.9	0	0	0	109.8	L532 F535 L539 R540 M545 H546 L547	L532-I543 HydrophobicContact CD2-CB 4.15Å; L532-I543 HydrophobicContact CD2-CD1 4.38Å; L532-I543 HydrophobicContact CD2-CG2 3.75Å; F535-I543 HydrophobicContact CD2-CD1 4.35Å; F535-I543 HydrophobicContact CG-CD1 4.36Å; L539-I543 WeakPolarHBondContact O-CB 3.22Å; L539-I543 WeakPolarHBondContact O-CD1 3.3Å; L539-I543 WeakPolarHBondContact O-CG1 3.37Å; L539-I543 PolarHBondContact O-N 3.42Å; R540-I543 PolarHBondContact O-N 3.26Å; I543-M545 VanDerWaalsContact C-N 3.34Å; I543-M545 PolarHBondContact O-N 3.25Å; I543-H546 WeakPolarHBondContact O-CB 3.35Å; I543-H546 PolarHBondContact O-N 3.13Å; I543-H546 VanDerWaalsContact O-N 3.08Å; I543-L547 HydrophobicContact CG2-CD1 4Å; I543-L547 HydrophobicContact CG2-CG 4.28Å; I543-L547 WeakPolarHBondContact O-CG 3.33Å; I543-L547 PolarHBondContact O-N 3.35Å
544	T	89.4	Confident	87.7	Confident	11 Å²	11	76.7 Å²	76.7	7%	0.067	38%	0.381	C	S	.	.	H	α-helix	trans	-67.3	-36.7	-177.1	-49.9	0	0	0	0	111.6	R540 S541 H546 L547 N548 S569	R540-T544 VanDerWaalsContact O-CB 3.3Å; R540-T544 WeakPolarHBondContact O-CB 3.22Å; R540-T544 PolarHBondContact O-N 3.41Å; R540-T544 PolarHBondContact O-OG1 2.84Å; S541-T544 PolarHBondContact O-N 2.85Å; T544-H546 VanDerWaalsContact C-N 3.29Å; T544-H546 PolarHBondContact O-N 3.46Å; T544-L547 PolarHBondContact O-N 2.96Å; T544-N548 WeakPolarHBondContact CG2-ND2 3.29Å; T544-N548 WeakPolarHBondContact O-CB 3.06Å; T544-N548 PolarHBondContact O-N 3.03Å; T544-N548 PolarHBondContact O-ND2 3.45Å; T544-N548 VanDerWaalsContact O-ND2 3.15Å; T544-S569 VanDerWaalsContact CG2-C 3.48Å; T544-S569 WeakPolarHBondContact CG2-O 3.42Å
545	M	90.4	Very high	87.3	Confident	48 Å²	48	74 Å²	74	24%	0.236	37%	0.373	C	S	.	.	H	α-helix	trans	-61.8	-37.2	171	-176.7	-179.3	174.1	0	0	111.8	S541 I543 K549 L552 L565 R566 S569	S541-M545 WeakPolarHBondContact O-CB 3.19Å; S541-M545 PolarHBondContact O-N 3.43Å; I543-M545 VanDerWaalsContact C-N 3.34Å; I543-M545 PolarHBondContact O-N 3.25Å; M545-K549 PolarHBondContact O-N 3.46Å; M545-L552 HydrophobicContact CB-CD1 4.38Å; M545-L552 HydrophobicContact CG-CD1 3.82Å; M545-L565 HydrophobicContact CE-CB 4.43Å; M545-L565 HydrophobicContact CE-CD1 4.2Å; M545-R566 HydrophobicContact SD-CG 4.21Å; M545-S569 PolarHBondContact N-OG 2.65Å
546	H	90.4	Very high	86.9	Confident	141 Å²	141	70.2 Å²	70.2	65%	0.653	36%	0.356	S	S	*	.	H	α-helix	trans	-70.9	-42.3	175.4	-176	64.7	0	0	0	112.6	D542 I543 T544 N548 K549	D542-H546 PolarHBondContact O-N 3.44Å; I543-H546 WeakPolarHBondContact O-CB 3.35Å; I543-H546 PolarHBondContact O-N 3.13Å; I543-H546 VanDerWaalsContact O-N 3.08Å; T544-H546 VanDerWaalsContact C-N 3.29Å; T544-H546 PolarHBondContact O-N 3.46Å; H546-N548 VanDerWaalsContact C-N 3.27Å; H546-N548 PolarHBondContact O-N 3.3Å; H546-K549 VanDerWaalsContact O-CB 3.27Å; H546-K549 WeakPolarHBondContact O-CB 3.39Å; H546-K549 PolarHBondContact O-N 2.89Å
547	L	87.8	Confident	86.6	Confident	100 Å²	100	66.5 Å²	66.5	52%	0.524	33%	0.331	S	S	.	.	H	α-helix	trans	-60.9	-38.2	177.1	-70.3	173.3	0	0	0	111.9	I543 T544	I543-L547 HydrophobicContact CG2-CD1 4Å; I543-L547 HydrophobicContact CG2-CG 4.28Å; I543-L547 WeakPolarHBondContact O-CG 3.33Å; I543-L547 PolarHBondContact O-N 3.35Å; T544-L547 PolarHBondContact O-N 2.96Å
548	N	88.1	Confident	86.3	Confident	9 Å²	9	65.5 Å²	65.5	5%	0.048	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	21.8	-178.2	-59.1	-46.3	0	0	0	112.9	T544 H546 E550 I551 L552 S569 I572 Q646	T544-N548 WeakPolarHBondContact CG2-ND2 3.29Å; T544-N548 WeakPolarHBondContact O-CB 3.06Å; T544-N548 PolarHBondContact O-N 3.03Å; T544-N548 PolarHBondContact O-ND2 3.45Å; T544-N548 VanDerWaalsContact O-ND2 3.15Å; H546-N548 VanDerWaalsContact C-N 3.27Å; H546-N548 PolarHBondContact O-N 3.3Å; N548-E550 VanDerWaalsContact C-N 3.26Å; N548-E550 PolarHBondContact O-N 3.42Å; N548-I551 PolarHBondContact O-N 3.04Å; N548-L552 HydrophobicContact CB-CD1 4.43Å; N548-L552 WeakPolarHBondContact O-CG 3.13Å; N548-L552 PolarHBondContact O-N 3.33Å; N548-S569 PolarHBondContact ND2-O 2.69Å; N548-I572 HydrophobicContact CB-CD1 3.84Å; N548-I572 HydrophobicContact CB-CG2 4.4Å; N548-Q646 PolarHBondContact OD1-NE2 2.78Å
549	K	87.6	Confident	86.2	Confident	105 Å²	105	61 Å²	61	46%	0.457	32%	0.323	S	S	.	.	H	α-helix	trans	-57	-39.2	-174.6	-178.5	-179.2	170.6	-169.5	0	112.6	M545 H546 I551 L552 E553	M545-K549 PolarHBondContact O-N 3.46Å; H546-K549 VanDerWaalsContact O-CB 3.27Å; H546-K549 WeakPolarHBondContact O-CB 3.39Å; H546-K549 PolarHBondContact O-N 2.89Å; K549-I551 VanDerWaalsContact C-N 3.29Å; K549-I551 PolarHBondContact O-N 3.38Å; K549-L552 PolarHBondContact O-N 3.22Å; K549-E553 VanDerWaalsContact CE-CD 3.49Å; K549-E553 WeakPolarHBondContact CE-OE1 3.32Å; K549-E553 HydrophobicContact CG-CG 4.36Å; K549-E553 IonicContact NZ-OE1 2.87Å; K549-E553 PolarHBondContact NZ-OE1 3.05Å; K549-E553 WeakPolarHBondContact O-CG 3.28Å; K549-E553 PolarHBondContact O-N 3.45Å; K549-E553 VanDerWaalsContact O-N 3.12Å
550	E	82.7	Confident	86.1	Confident	148 Å²	148	57.4 Å²	57.4	69%	0.692	31%	0.307	S	S	*	.	H	α-helix	trans	-61.6	-35.4	-178	-60.8	-174.7	170.8	0	0	112.8	N548	N548-E550 VanDerWaalsContact C-N 3.26Å; N548-E550 PolarHBondContact O-N 3.42Å
551	I	84.9	Confident	86	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-74.7	-44.8	176.2	-57.8	-89	0	0	0	110.3	N548 K549 E553 L554 F557 I572 F595 Q646	N548-I551 PolarHBondContact O-N 3.04Å; K549-I551 VanDerWaalsContact C-N 3.29Å; K549-I551 PolarHBondContact O-N 3.38Å; I551-E553 PolarHBondContact O-N 3.37Å; I551-L554 HydrophobicContact CG2-CD1 4.42Å; I551-L554 VanDerWaalsContact O-CB 3.28Å; I551-L554 WeakPolarHBondContact O-CB 3.47Å; I551-L554 WeakPolarHBondContact O-CD1 3.38Å; I551-L554 WeakPolarHBondContact O-CG 3.31Å; I551-L554 PolarHBondContact O-N 2.84Å; I551-L554 VanDerWaalsContact O-N 3.09Å; I551-F557 HydrophobicContact CG2-CD2 4.28Å; I551-F557 HydrophobicContact CG2-CE2 3.74Å; I551-F557 VanDerWaalsContact O-CD2 3.27Å; I551-F557 WeakPolarHBondContact O-CD2 3.42Å; I551-I572 HydrophobicContact CG2-CD1 4.47Å; I551-F595 HydrophobicContact CD1-CB 3.35Å; I551-F595 HydrophobicContact CD1-CD1 4.2Å; I551-F595 HydrophobicContact CD1-CD2 4.13Å; I551-F595 HydrophobicContact CD1-CG 3.65Å; I551-F595 HydrophobicContact CG2-CD1 4.42Å; I551-F595 HydrophobicContact CG2-CD2 4.45Å; I551-F595 HydrophobicContact CG2-CE1 4.46Å; I551-F595 HydrophobicContact CG2-CG 4.42Å; I551-Q646 HydrophobicContact CD1-CB 3.56Å; I551-Q646 HydrophobicContact CD1-CG 4.3Å; I551-Q646 HydrophobicContact CG1-CB 4.08Å; I551-Q646 HydrophobicContact CG1-CG 4.4Å
552	L	85.5	Confident	86	Confident	15 Å²	15	64.7 Å²	64.7	8%	0.079	34%	0.341	C	S	.	.	H	α-helix	trans	-71.6	-12.6	-172.8	-61.9	173	0	0	0	112.5	M545 N548 K549 L565 L568 I572	M545-L552 HydrophobicContact CB-CD1 4.38Å; M545-L552 HydrophobicContact CG-CD1 3.82Å; N548-L552 HydrophobicContact CB-CD1 4.43Å; N548-L552 WeakPolarHBondContact O-CG 3.13Å; N548-L552 PolarHBondContact O-N 3.33Å; K549-L552 PolarHBondContact O-N 3.22Å; L552-L565 HydrophobicContact CB-CD2 4.33Å; L552-L565 HydrophobicContact CD2-CD2 3.81Å; L552-L568 HydrophobicContact CD2-CD2 4.19Å; L552-I572 HydrophobicContact CD2-CD1 4.08Å
553	E	83.7	Confident	85.9	Confident	131 Å²	131	63.1 Å²	63.1	61%	0.612	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-5.9	172.5	-74.5	-177	161.6	0	0	113.7	K549 I551	K549-E553 VanDerWaalsContact CE-CD 3.49Å; K549-E553 WeakPolarHBondContact CE-OE1 3.32Å; K549-E553 HydrophobicContact CG-CG 4.36Å; K549-E553 IonicContact NZ-OE1 2.87Å; K549-E553 PolarHBondContact NZ-OE1 3.05Å; K549-E553 WeakPolarHBondContact O-CG 3.28Å; K549-E553 PolarHBondContact O-N 3.45Å; K549-E553 VanDerWaalsContact O-N 3.12Å; I551-E553 PolarHBondContact O-N 3.37Å
554	L	82.1	Confident	85.8	Confident	45 Å²	45	60.3 Å²	60.3	24%	0.236	33%	0.325	C	S	.	.	S	Bend	trans	-63.5	152.5	175.2	-63.6	172.1	0	0	0	111.5	I551 L556 F557 A558 F595	I551-L554 HydrophobicContact CG2-CD1 4.42Å; I551-L554 VanDerWaalsContact O-CB 3.28Å; I551-L554 WeakPolarHBondContact O-CB 3.47Å; I551-L554 WeakPolarHBondContact O-CD1 3.38Å; I551-L554 WeakPolarHBondContact O-CG 3.31Å; I551-L554 PolarHBondContact O-N 2.84Å; I551-L554 VanDerWaalsContact O-N 3.09Å; L554-L556 PolarHBondContact O-N 3.03Å; L554-L556 VanDerWaalsContact O-N 3.12Å; L554-F557 HydrophobicContact CB-CD2 4.37Å; L554-F557 PolarHBondContact O-N 2.61Å; L554-A558 PolarHBondContact O-N 3.06Å; L554-F595 HydrophobicContact CD1-CD1 3.7Å; L554-F595 HydrophobicContact CD1-CE1 3.88Å
555	S	79.9	Confident	85.9	Confident	79 Å²	79	60.7 Å²	60.7	55%	0.552	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-48.4	-40.9	178.7	41.1	0	0	0	0	112.7	F557 A558 D674	S555-F557 PolarHBondContact O-N 3.43Å; S555-F557 VanDerWaalsContact O-N 3.15Å; S555-A558 WeakPolarHBondContact O-CB 3.2Å; S555-A558 PolarHBondContact O-N 3.48Å; S555-D674 PolarHBondContact OG-OD2 2.74Å
556	L	80.8	Confident	85.8	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.016	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-53.4	-32.1	177.8	-172.5	66.9	0	0	0	114.1	L554 F595 L619 Y663 F667 D670 I671	L554-L556 PolarHBondContact O-N 3.03Å; L554-L556 VanDerWaalsContact O-N 3.12Å; L556-F595 HydrophobicContact CD2-CE1 4.22Å; L556-F595 HydrophobicContact CD2-CZ 4.11Å; L556-L619 HydrophobicContact CD2-CD2 4.31Å; L556-Y663 PolarHBondContact O-OH 3.44Å; L556-F667 HydrophobicContact CD1-CD2 3.86Å; L556-F667 HydrophobicContact CD1-CE2 3.81Å; L556-F667 HydrophobicContact CD2-CD2 4.43Å; L556-F667 HydrophobicContact CD2-CE2 3.61Å; L556-F667 HydrophobicContact CD2-CZ 4.19Å; L556-F667 HydrophobicContact CG-CD2 3.94Å; L556-F667 HydrophobicContact CG-CE2 3.61Å; L556-D670 HydrophobicContact CD1-CB 3.76Å; L556-I671 HydrophobicContact CD1-CB 3.99Å; L556-I671 HydrophobicContact CD2-CD1 4.48Å
557	F	84.1	Confident	85.8	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.009	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-108.1	-2.6	-175	-60.2	-66.7	0	0	0	113.6	I551 L554 S555 S559 A560 L565 L568 F595 I648 Y663 F667	I551-F557 HydrophobicContact CG2-CD2 4.28Å; I551-F557 HydrophobicContact CG2-CE2 3.74Å; I551-F557 VanDerWaalsContact O-CD2 3.27Å; I551-F557 WeakPolarHBondContact O-CD2 3.42Å; L554-F557 HydrophobicContact CB-CD2 4.37Å; L554-F557 PolarHBondContact O-N 2.61Å; S555-F557 PolarHBondContact O-N 3.43Å; S555-F557 VanDerWaalsContact O-N 3.15Å; F557-S559 VanDerWaalsContact C-N 3.25Å; F557-S559 PolarHBondContact O-N 2.77Å; F557-A560 VanDerWaalsContact O-CB 3.29Å; F557-A560 WeakPolarHBondContact O-CB 3.36Å; F557-A560 PolarHBondContact O-N 3.39Å; F557-A560 VanDerWaalsContact O-N 3.1Å; F557-L565 HydrophobicContact CB-CD2 3.93Å; F557-L568 HydrophobicContact CD1-CD2 3.58Å; F557-L568 HydrophobicContact CE1-CD2 3.19Å; F557-L568 HydrophobicContact CZ-CD2 3.89Å; F557-F595 HydrophobicContact CE2-CE1 4.1Å; F557-F595 AromaticContact CE2-CZ 3.88Å; F557-F595 HydrophobicContact CE2-CZ 3.88Å; F557-F595 AromaticContact CZ-CZ 3.94Å; F557-F595 HydrophobicContact CZ-CZ 3.94Å; F557-I648 HydrophobicContact CZ-CD1 4.06Å; F557-Y663 WeakPolarHBondContact CD1-OH 3.38Å; F557-F667 HydrophobicContact CE1-CD2 4.35Å; F557-F667 AromaticContact CE1-CE2 3.7Å; F557-F667 HydrophobicContact CE1-CE2 3.7Å; F557-F667 HydrophobicContact CZ-CE2 4.15Å
558	A	80.9	Confident	85.9	Confident	81 Å²	81	52.7 Å²	52.7	67%	0.669	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.1	-178.4	0	0	0	0	0	113.3	L554 S555 A560	L554-A558 PolarHBondContact O-N 3.06Å; S555-A558 WeakPolarHBondContact O-CB 3.2Å; S555-A558 PolarHBondContact O-N 3.48Å; A558-A560 VanDerWaalsContact C-N 3.34Å
559	S	81.8	Confident	85.9	Confident	63 Å²	63	52.2 Å²	52.2	44%	0.441	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-5	177.8	57.2	0	0	0	0	113.7	F557 Y663	F557-S559 VanDerWaalsContact C-N 3.25Å; F557-S559 PolarHBondContact O-N 2.77Å; S559-Y663 WeakPolarHBondContact OG-CE2 3.26Å
560	A	86.2	Confident	85.9	Confident	16 Å²	16	50.2 Å²	50.2	13%	0.132	28%	0.278	C	S	.	.	S	Bend	trans	-79	143.6	-175.1	0	0	0	0	0	113.2	F557 A558 C564 L565 Y663	F557-A560 VanDerWaalsContact O-CB 3.29Å; F557-A560 WeakPolarHBondContact O-CB 3.36Å; F557-A560 PolarHBondContact O-N 3.39Å; F557-A560 VanDerWaalsContact O-N 3.1Å; A558-A560 VanDerWaalsContact C-N 3.34Å; A560-C564 HydrophobicContact CB-CB 4.44Å; A560-L565 HydrophobicContact CB-CD2 3.72Å; A560-L565 HydrophobicContact CB-CG 3.88Å; A560-Y663 HydrophobicContact CB-CD2 3.92Å; A560-Y663 HydrophobicContact CB-CE1 4.15Å; A560-Y663 HydrophobicContact CB-CE2 3.53Å; A560-Y663 HydrophobicContact CB-CG 4.4Å
561	S	88.9	Confident	86.2	Confident	59 Å²	59	46.1 Å²	46.1	41%	0.413	26%	0.259	S	S	.	.			trans	-68.6	153.4	171	78.7	0	0	0	0	111.4	G563 C564 L565	S561-G563 PolarHBondContact O-N 3.47Å; S561-C564 WeakPolarHBondContact O-CA 2.92Å; S561-C564 WeakPolarHBondContact O-CB 3.33Å; S561-C564 PolarHBondContact O-N 2.77Å; S561-C564 WeakPolarHBondContact OG-CB 3.2Å; S561-C564 PolarHBondContact OG-N 3.01Å; S561-L565 PolarHBondContact O-N 2.93Å
562	R	88.6	Confident	86.4	Confident	174 Å²	174	46.4 Å²	46.4	66%	0.657	26%	0.26	S	S	*	.	H	α-helix	trans	-57.4	-33	176.4	-68	-174.8	68.5	-177.5	1	113.2	R566	R562-R566 WeakPolarHBondContact O-CB 3.5Å; R562-R566 WeakPolarHBondContact O-CG 3.48Å; R562-R566 PolarHBondContact O-N 3.06Å; R562-R566 VanDerWaalsContact O-N 3.12Å
563	G	88.4	Confident	86.4	Confident	29 Å²	29	51.6 Å²	51.6	30%	0.299	28%	0.282	S	S	.	.	H	α-helix	trans	-68.7	-39	175.6	0	0	0	0	0	112.5	S561 S567 Y660	S561-G563 PolarHBondContact O-N 3.47Å; G563-S567 PolarHBondContact O-N 3.25Å; G563-S567 VanDerWaalsContact O-N 3.09Å; G563-S567 PolarHBondContact O-OG 3.28Å; G563-Y660 VanDerWaalsContact C-OH 3.28Å; G563-Y660 PolarHBondContact O-OH 3Å
564	C	90	Very high	86.5	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.007	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-47.5	174.6	-173	0	0	0	0	111.3	A560 S561 R566 S567 L568 Y660 Y663	A560-C564 HydrophobicContact CB-CB 4.44Å; S561-C564 WeakPolarHBondContact O-CA 2.92Å; S561-C564 WeakPolarHBondContact O-CB 3.33Å; S561-C564 PolarHBondContact O-N 2.77Å; S561-C564 WeakPolarHBondContact OG-CB 3.2Å; S561-C564 PolarHBondContact OG-N 3.01Å; C564-R566 VanDerWaalsContact C-N 3.32Å; C564-R566 PolarHBondContact O-N 3.26Å; C564-S567 PolarHBondContact O-N 3.02Å; C564-L568 WeakPolarHBondContact O-CB 3.47Å; C564-L568 PolarHBondContact O-N 3.33Å; C564-Y660 HydrophobicContact CB-CD1 4.2Å; C564-Y660 HydrophobicContact CB-CD2 3.83Å; C564-Y660 HydrophobicContact CB-CE1 4.31Å; C564-Y660 HydrophobicContact CB-CE2 3.95Å; C564-Y660 HydrophobicContact CB-CG 3.97Å; C564-Y663 VanDerWaalsContact SG-CD1 3.52Å
565	L	90.3	Very high	86.6	Confident	20 Å²	20	50.4 Å²	50.4	11%	0.105	29%	0.288	C	S	.	.	H	α-helix	trans	-59.1	-41.6	177.3	-66.4	173.5	0	0	0	112.4	M545 L552 F557 A560 S561 L568 S569	M545-L565 HydrophobicContact CE-CB 4.43Å; M545-L565 HydrophobicContact CE-CD1 4.2Å; L552-L565 HydrophobicContact CB-CD2 4.33Å; L552-L565 HydrophobicContact CD2-CD2 3.81Å; F557-L565 HydrophobicContact CB-CD2 3.93Å; A560-L565 HydrophobicContact CB-CD2 3.72Å; A560-L565 HydrophobicContact CB-CG 3.88Å; S561-L565 PolarHBondContact O-N 2.93Å; L565-L568 PolarHBondContact O-N 3.31Å; L565-S569 VanDerWaalsContact O-CB 3.29Å; L565-S569 WeakPolarHBondContact O-CB 3.31Å; L565-S569 PolarHBondContact O-N 3.33Å
566	R	90.1	Very high	86.8	Confident	82 Å²	82	48.1 Å²	48.1	31%	0.309	27%	0.268	S	S	.	.	H	α-helix	trans	-59.8	-50.3	174.9	-81.2	175	169.9	177.5	-4.8	111.7	D542 M545 R562 C564 S569	D542-R566 IonicContact OD1-CZ 2.78Å; D542-R566 IonicContact OD1-NE 3.05Å; D542-R566 PolarHBondContact OD1-NE 2.77Å; D542-R566 IonicContact OD1-NH2 2.63Å; D542-R566 PolarHBondContact OD1-NH2 3.46Å; D542-R566 IonicContact OD2-NH2 3.2Å; D542-R566 PolarHBondContact OD2-NH2 2.81Å; M545-R566 HydrophobicContact SD-CG 4.21Å; R562-R566 WeakPolarHBondContact O-CB 3.5Å; R562-R566 WeakPolarHBondContact O-CG 3.48Å; R562-R566 PolarHBondContact O-N 3.06Å; R562-R566 VanDerWaalsContact O-N 3.12Å; C564-R566 VanDerWaalsContact C-N 3.32Å; C564-R566 PolarHBondContact O-N 3.26Å; R566-S569 PolarHBondContact O-N 2.92Å; R566-S569 PolarHBondContact O-OG 3.04Å
567	S	88.7	Confident	87	Confident	35 Å²	35	48.2 Å²	48.2	25%	0.245	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-44.1	179.9	-53.7	0	0	0	0	111.4	G563 C564 S569 L570 H571	G563-S567 PolarHBondContact O-N 3.25Å; G563-S567 VanDerWaalsContact O-N 3.09Å; G563-S567 PolarHBondContact O-OG 3.28Å; C564-S567 PolarHBondContact O-N 3.02Å; S567-S569 PolarHBondContact O-N 3.41Å; S567-L570 PolarHBondContact O-N 2.91Å; S567-H571 PolarHBondContact O-CD2 2.84Å; S567-H571 VanDerWaalsContact O-CD2 3.31Å
568	L	89.7	Confident	87	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-43.8	177.5	-176.4	66.7	0	0	0	112	L552 F557 C564 L565 L570 H571 I572 I648 L653 V656	L552-L568 HydrophobicContact CD2-CD2 4.19Å; F557-L568 HydrophobicContact CD1-CD2 3.58Å; F557-L568 HydrophobicContact CE1-CD2 3.19Å; F557-L568 HydrophobicContact CZ-CD2 3.89Å; C564-L568 WeakPolarHBondContact O-CB 3.47Å; C564-L568 PolarHBondContact O-N 3.33Å; L565-L568 PolarHBondContact O-N 3.31Å; L568-L570 PolarHBondContact O-N 2.93Å; L568-L570 VanDerWaalsContact O-N 3.15Å; L568-H571 PolarHBondContact O-N 2.72Å; L568-I572 PolarHBondContact O-N 3.37Å; L568-I648 HydrophobicContact CD1-CD1 4.22Å; L568-I648 HydrophobicContact CD1-CG2 3.92Å; L568-I648 HydrophobicContact CD2-CD1 4.39Å; L568-I648 HydrophobicContact CG-CD1 4.41Å; L568-L653 HydrophobicContact CD1-CD1 3.67Å; L568-V656 HydrophobicContact CB-CG1 4.47Å
569	S	89.8	Confident	87.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-55.4	-35.5	-177	75	0	0	0	0	112.8	T544 M545 N548 L565 R566 S567 H571 I572	T544-S569 VanDerWaalsContact CG2-C 3.48Å; T544-S569 WeakPolarHBondContact CG2-O 3.42Å; M545-S569 PolarHBondContact N-OG 2.65Å; N548-S569 PolarHBondContact ND2-O 2.69Å; L565-S569 VanDerWaalsContact O-CB 3.29Å; L565-S569 WeakPolarHBondContact O-CB 3.31Å; L565-S569 PolarHBondContact O-N 3.33Å; R566-S569 PolarHBondContact O-N 2.92Å; R566-S569 PolarHBondContact O-OG 3.04Å; S567-S569 PolarHBondContact O-N 3.41Å; S569-H571 PolarHBondContact O-N 3.38Å; S569-I572 WeakPolarHBondContact O-CB 3.41Å; S569-I572 PolarHBondContact O-N 2.96Å; S569-I572 VanDerWaalsContact O-N 3.16Å
570	L	87.8	Confident	87.4	Confident	62 Å²	62	46.5 Å²	46.5	33%	0.325	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.9	178.9	-65.7	174.5	0	0	0	113.4	R540 S567 L568	R540-L570 HydrophobicContact CG-CD2 3.91Å; S567-L570 PolarHBondContact O-N 2.91Å; L568-L570 PolarHBondContact O-N 2.93Å; L568-L570 VanDerWaalsContact O-N 3.15Å
571	H	88.1	Confident	87.4	Confident	62 Å²	62	47.1 Å²	47.1	29%	0.287	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-5.4	178.8	-65.1	-73.6	0	0	0	113.3	S567 L568 S569	S567-H571 PolarHBondContact O-CD2 2.84Å; S567-H571 VanDerWaalsContact O-CD2 3.31Å; L568-H571 PolarHBondContact O-N 2.72Å; S569-H571 PolarHBondContact O-N 3.38Å
572	I	88.7	Confident	87.4	Confident	12 Å²	12	48.4 Å²	48.4	6%	0.062	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.4	175.8	-53.4	-177.6	0	0	0	108.9	N548 I551 L552 L568 S569 Q646 C647 I648	N548-I572 HydrophobicContact CB-CD1 3.84Å; N548-I572 HydrophobicContact CB-CG2 4.4Å; I551-I572 HydrophobicContact CG2-CD1 4.47Å; L552-I572 HydrophobicContact CD2-CD1 4.08Å; L568-I572 PolarHBondContact O-N 3.37Å; S569-I572 WeakPolarHBondContact O-CB 3.41Å; S569-I572 PolarHBondContact O-N 2.96Å; S569-I572 VanDerWaalsContact O-N 3.16Å; I572-Q646 HydrophobicContact CG2-CB 4.1Å; I572-Q646 HydrophobicContact CG2-CG 4.25Å; I572-C647 WeakPolarHBondContact CA-O 3.45Å; I572-I648 HydrophobicContact CD1-CD1 4.29Å; I572-I648 HydrophobicContact CG1-CD1 4.06Å; I572-I648 HydrophobicContact CG1-CG1 4.01Å
573	K	86.9	Confident	87.4	Confident	124 Å²	124	41.7 Å²	41.7	54%	0.539	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.7	173.6	-65.8	-176.9	179.2	-177	0	109.9	Q646 C647	K573-Q646 CarbonylContact O-C 3.55Å; K573-Q646 WeakPolarHBondContact O-CA 3.44Å; K573-C647 PolarHBondContact N-O 3.04Å; K573-C647 PolarHBondContact O-N 2.91Å
574	T	84.9	Confident	87.4	Confident	106 Å²	106	41 Å²	41	65%	0.65	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	139.6	170.6	50.9	0	0	0	0	109.5	L645 Q646	T574-L645 CarbonylContact C-O 3.51Å; T574-L645 WeakPolarHBondContact CA-O 3.42Å; T574-Q646 HydrophobicContact CG2-CG 3.75Å
575	S	84	Confident	87.4	Confident	45 Å²	45	47.7 Å²	47.7	32%	0.315	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.9	176	-174.4	0	0	0	0	108.8	L645	S575-L645 PolarHBondContact N-O 3.47Å; S575-L645 WeakPolarHBondContact O-CA 3.29Å; S575-L645 WeakPolarHBondContact O-CB 3.48Å; S575-L645 PolarHBondContact O-N 3.26Å
576	F	84.2	Confident	87.3	Confident	31 Å²	31	50.9 Å²	50.9	14%	0.136	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.7	-178.6	-179.4	-105.6	0	0	0	109.8	Y515 T518 T578 Y642 D644	Y515-F576 HydrophobicContact CD2-CD1 4.29Å; Y515-F576 HydrophobicContact CE2-CB 4.46Å; T518-F576 HydrophobicContact CG2-CD1 4.42Å; T518-F576 HydrophobicContact CG2-CE1 3.53Å; T518-F576 HydrophobicContact CG2-CE2 4.18Å; T518-F576 HydrophobicContact CG2-CZ 3.36Å; F576-T578 HydrophobicContact CD1-CG2 4.38Å; F576-T578 HydrophobicContact CE1-CG2 3.77Å; F576-Y642 HydrophobicContact CE1-CD1 4.12Å; F576-Y642 HydrophobicContact CE2-CD1 4.36Å; F576-Y642 AromaticContact CZ-CD1 3.47Å; F576-Y642 HydrophobicContact CZ-CD1 3.47Å; F576-Y642 VanDerWaalsContact CZ-CD1 3.47Å; F576-Y642 HydrophobicContact CZ-CE1 4.32Å; F576-Y642 HydrophobicContact CZ-CG 4.18Å; F576-D644 VanDerWaalsContact CD2-OD1 3.25Å; F576-D644 WeakPolarHBondContact CD2-OD1 3.45Å
577	C	85.1	Confident	87	Confident	5 Å²	5	49 Å²	49	3%	0.034	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.5	175.5	-67.3	0	0	0	0	111	A639 C643	C577-A639 HydrophobicContact CB-CB 3.95Å; C577-C643 HydrophobicContact CB-CB 4.25Å; C577-C643 PolarHBondContact N-O 3.02Å; C577-C643 PolarHBondContact O-N 3.12Å
578	T	84.6	Confident	87	Confident	12 Å²	12	50.9 Å²	50.9	7%	0.074	27%	0.272	C	S	.	.			trans	-88	155	175.9	55.7	0	0	0	0	111.7	F576 G580 E581 A639 Y642	F576-T578 HydrophobicContact CD1-CG2 4.38Å; F576-T578 HydrophobicContact CE1-CG2 3.77Å; T578-G580 PolarHBondContact O-N 2.94Å; T578-E581 PolarHBondContact N-OE2 3.01Å; T578-E581 WeakPolarHBondContact O-CB 3.33Å; T578-E581 PolarHBondContact O-N 2.91Å; T578-E581 PolarHBondContact OG1-OE2 3.03Å; T578-A639 WeakPolarHBondContact O-CB 3.3Å; T578-Y642 HydrophobicContact CG2-CD1 4.43Å; T578-Y642 HydrophobicContact CG2-CE1 4.21Å
579	P	86.4	Confident	86.8	Confident	59 Å²	59	52.8 Å²	52.8	38%	0.383	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	129.7	175.1	-24.7	30.5	0	0	0	111.9	E581 Y642	P579-E581 VanDerWaalsContact C-N 3.31Å; P579-Y642 HydrophobicContact CG-CD1 4.17Å; P579-Y642 HydrophobicContact CG-CD2 4.06Å; P579-Y642 HydrophobicContact CG-CE1 4.12Å; P579-Y642 HydrophobicContact CG-CE2 3.98Å; P579-Y642 HydrophobicContact CG-CG 4.17Å
580	G	83.9	Confident	86.6	Confident	39 Å²	39	53.3 Å²	53.3	40%	0.402	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-6	-179.5	0	0	0	0	0	115.1	T578 A639	T578-G580 PolarHBondContact O-N 2.94Å; G580-A639 WeakPolarHBondContact CA-O 3.4Å; G580-A639 PolarHBondContact N-O 3.39Å
581	E	85.9	Confident	86.4	Confident	29 Å²	29	57.2 Å²	57.2	14%	0.136	31%	0.308	C	S	.	.			trans	-80.4	136.4	-179.6	-168.7	169.7	-168.1	0	0	111.8	R511 T578 P579 K638 A639	R511-E581 IonicContact CZ-OE1 3.05Å; R511-E581 IonicContact NE-OE1 3.43Å; R511-E581 PolarHBondContact NE-OE1 3.33Å; R511-E581 IonicContact NH2-OE1 3.72Å; R511-E581 PolarHBondContact NH2-OE1 3.18Å; T578-E581 PolarHBondContact N-OE2 3.01Å; T578-E581 WeakPolarHBondContact O-CB 3.33Å; T578-E581 PolarHBondContact O-N 2.91Å; T578-E581 PolarHBondContact OG1-OE2 3.03Å; P579-E581 VanDerWaalsContact C-N 3.31Å; E581-K638 CarbonylContact O-C 3.55Å; E581-K638 WeakPolarHBondContact O-CA 3.27Å; E581-A639 PolarHBondContact O-N 2.94Å
582	Y	88.8	Confident	86.5	Confident	87 Å²	87	54.8 Å²	54.8	34%	0.341	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121.4	173.7	-67.5	-95.3	0	0	0	109.5	L604 D636 V637 K638	Y582-L604 HydrophobicContact CE1-CD1 4.37Å; Y582-D636 HydrophobicContact CD1-CB 4.07Å; Y582-D636 HydrophobicContact CE1-CB 4.02Å; Y582-V637 CarbonylContact C-O 3.53Å; Y582-V637 WeakPolarHBondContact CA-O 3.37Å; Y582-K638 HydrophobicContact CD1-CB 4.07Å; Y582-K638 HydrophobicContact CD1-CG 4.47Å; Y582-K638 HydrophobicContact CE1-CB 4.19Å; Y582-K638 HydrophobicContact CE1-CD 4.05Å; Y582-K638 HydrophobicContact CE1-CG 4.45Å; Y582-K638 HydrophobicContact CE2-CD 4.15Å
583	L	89	Confident	86.5	Confident	32 Å²	32	54.4 Å²	54.4	17%	0.168	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	-45.7	171.3	177.7	70.6	0	0	0	110.9	F594 M601 V637 L645	L583-F594 HydrophobicContact CD1-CD1 4.12Å; L583-F594 HydrophobicContact CD1-CE1 3.83Å; L583-F594 HydrophobicContact CD1-CZ 4.28Å; L583-F594 HydrophobicContact CD2-CB 4.33Å; L583-F594 HydrophobicContact CD2-CD1 3.98Å; L583-F594 HydrophobicContact CD2-CD2 4.18Å; L583-F594 HydrophobicContact CD2-CE1 4.32Å; L583-F594 HydrophobicContact CD2-CE2 4.5Å; L583-F594 HydrophobicContact CD2-CG 3.92Å; L583-F594 HydrophobicContact CG-CE1 4.37Å; L583-F594 HydrophobicContact CG-CZ 4.49Å; L583-M601 HydrophobicContact CB-CE 3.67Å; L583-M601 HydrophobicContact CD2-CE 3.84Å; L583-M601 HydrophobicContact CD2-SD 4.32Å; L583-M601 HydrophobicContact CG-CE 4.33Å; L583-V637 HydrophobicContact CB-CB 4.47Å; L583-V637 HydrophobicContact CB-CG1 4.42Å; L583-V637 HydrophobicContact CD2-CG1 4.37Å; L583-V637 PolarHBondContact N-O 3.35Å; L583-L645 HydrophobicContact CD1-CD1 3.72Å; L583-L645 HydrophobicContact CD2-CD1 3.74Å; L583-L645 HydrophobicContact CG-CD1 4.27Å
584	L	89.4	Confident	86.6	Confident	14 Å²	14	49.6 Å²	49.6	7%	0.073	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.3	179.7	-66	168	0	0	0	108.7	L590 F594 T633 D636 V637 L679	L584-L590 HydrophobicContact CD1-CD1 3.78Å; L584-L590 HydrophobicContact CD2-CD1 4.49Å; L584-F594 HydrophobicContact CD1-CD2 4.32Å; L584-F594 HydrophobicContact CD1-CE2 4.03Å; L584-F594 HydrophobicContact CD2-CE2 4.21Å; L584-F594 HydrophobicContact CG-CE2 4.36Å; L584-T633 HydrophobicContact CB-CG2 4.43Å; L584-T633 HydrophobicContact CD1-CG2 4.21Å; L584-D636 CarbonylContact O-C 3.59Å; L584-D636 WeakPolarHBondContact O-CA 3.35Å; L584-V637 HydrophobicContact CB-CB 4.33Å; L584-V637 HydrophobicContact CB-CG2 4.32Å; L584-V637 HydrophobicContact CD1-CG2 4.43Å; L584-V637 PolarHBondContact N-O 3.48Å; L584-V637 PolarHBondContact O-N 3.44Å; L584-L679 HydrophobicContact CD1-CD1 3.65Å
585	R	89.8	Confident	86.8	Confident	143 Å²	143	44.8 Å²	44.8	54%	0.54	25%	0.246	S	C	.	.			trans	-103.3	157.6	168.7	-64.8	-170.6	-179.9	-120.3	1.4	111.3	G587 D588 T633 D636	R585-G587 PolarHBondContact O-N 3.39Å; R585-D588 WeakPolarHBondContact CB-OD2 3.38Å; R585-D588 PolarHBondContact N-OD2 2.81Å; R585-D588 VanDerWaalsContact O-CB 3.31Å; R585-D588 WeakPolarHBondContact O-CB 3.21Å; R585-D588 PolarHBondContact O-N 3.33Å; R585-T633 PolarHBondContact O-OG1 3.48Å; R585-D636 WeakPolarHBondContact CA-OD1 3.47Å
586	Q	88.3	Confident	87.1	Confident	87 Å²	87	42.7 Å²	42.7	41%	0.407	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	126.8	174	-175.1	-178.7	29	0	0	110.2	N634 D636	Q586-N634 PolarHBondContact NE2-O 3.21Å; Q586-D636 PolarHBondContact N-OD1 2.87Å
587	G	83.7	Confident	87.1	Confident	42 Å²	42	42.4 Å²	42.4	43%	0.433	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-8.1	-178.9	0	0	0	0	0	115	R585 T633	R585-G587 PolarHBondContact O-N 3.39Å; G587-T633 PolarHBondContact N-O 2.89Å; G587-T633 PolarHBondContact N-OG1 2.91Å
588	D	87.2	Confident	87.2	Confident	74 Å²	74	44.9 Å²	44.9	40%	0.396	25%	0.25	S	S	.	.			trans	-64.6	149.3	173.7	-73.3	-16.4	0	0	0	111.4	R585 L590 K632 T633	R585-D588 WeakPolarHBondContact CB-OD2 3.38Å; R585-D588 PolarHBondContact N-OD2 2.81Å; R585-D588 VanDerWaalsContact O-CB 3.31Å; R585-D588 WeakPolarHBondContact O-CB 3.21Å; R585-D588 PolarHBondContact O-N 3.33Å; D588-L590 PolarHBondContact O-N 3.18Å; D588-K632 CarbonylContact O-C 3.6Å; D588-K632 WeakPolarHBondContact O-CA 3.36Å; D588-T633 PolarHBondContact N-OG1 2.84Å; D588-T633 VanDerWaalsContact N-OG1 3.07Å; D588-T633 PolarHBondContact O-N 3.11Å; D588-T633 PolarHBondContact O-OG1 3.26Å; D588-T633 VanDerWaalsContact O-OG1 3.13Å
589	A	85.9	Confident	87.4	Confident	44 Å²	44	45.5 Å²	45.5	36%	0.364	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-76.3	119	171.6	0	0	0	0	0	109.7	Q591 V630 I631	A589-Q591 PolarHBondContact O-N 3.1Å; A589-Q591 VanDerWaalsContact O-N 3.14Å; A589-V630 HydrophobicContact CB-CG1 3.48Å; A589-V630 VanDerWaalsContact CB-CG1 3.48Å; A589-I631 WeakPolarHBondContact CA-O 3.36Å
590	L	85.5	Confident	87.6	Confident	10 Å²	10	43.8 Å²	43.8	5%	0.052	25%	0.248	C	C	.	.			trans	-68.2	111.6	173.2	-170.6	71	0	0	0	108.8	L584 D588 A592 F594 A622 I631 T633 L650 L679	L584-L590 HydrophobicContact CD1-CD1 3.78Å; L584-L590 HydrophobicContact CD2-CD1 4.49Å; D588-L590 PolarHBondContact O-N 3.18Å; L590-A592 VanDerWaalsContact CD1-O 3.26Å; L590-A592 WeakPolarHBondContact CD1-O 3.47Å; L590-F594 HydrophobicContact CD1-CE2 4.33Å; L590-A622 HydrophobicContact CD2-CB 3.73Å; L590-I631 HydrophobicContact CB-CB 4.26Å; L590-I631 HydrophobicContact CB-CG2 4.36Å; L590-I631 HydrophobicContact CD2-CG2 4.42Å; L590-I631 PolarHBondContact N-O 3.4Å; L590-T633 HydrophobicContact CB-CG2 4.31Å; L590-T633 HydrophobicContact CD1-CG2 4.36Å; L590-L650 HydrophobicContact CG-CD1 4.4Å; L590-L650 VanDerWaalsContact O-CD1 3.24Å; L590-L650 WeakPolarHBondContact O-CD1 3.36Å; L590-L679 HydrophobicContact CD1-CD1 4.1Å
591	Q	84.8	Confident	87.9	Confident	145 Å²	145	42 Å²	42	68%	0.678	23%	0.229	S	C	*	.			trans	-102.3	-20.2	179.8	-62.9	-176	13.2	0	0	113	A589 N649 L650	A589-Q591 PolarHBondContact O-N 3.1Å; A589-Q591 VanDerWaalsContact O-N 3.14Å; Q591-N649 PolarHBondContact O-OD1 3.14Å; Q591-N649 VanDerWaalsContact O-OD1 3.06Å; Q591-L650 WeakPolarHBondContact O-CB 3.38Å; Q591-L650 WeakPolarHBondContact O-CG 3.29Å; Q591-L650 PolarHBondContact O-N 2.99Å
592	A	88.6	Confident	88.2	Confident	11 Å²	11	41.7 Å²	41.7	9%	0.091	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.9	-176.7	0	0	0	0	0	110.3	L590 F594 C647 I648	L590-A592 VanDerWaalsContact CD1-O 3.26Å; L590-A592 WeakPolarHBondContact CD1-O 3.47Å; A592-F594 HydrophobicContact CB-CE2 4.2Å; A592-F594 HydrophobicContact CB-CZ 4.06Å; A592-F594 WeakPolarHBondContact O-CD2 3.28Å; A592-F594 VanDerWaalsContact O-CE2 3.31Å; A592-F594 WeakPolarHBondContact O-CE2 3.35Å; A592-C647 HydrophobicContact CB-CB 4.14Å; A592-I648 CarbonylContact C-O 3.58Å; A592-I648 WeakPolarHBondContact CA-O 3.42Å; A592-I648 VanDerWaalsContact CB-O 3.32Å; A592-I648 WeakPolarHBondContact CB-O 3.3Å
593	V	88.7	Confident	88.3	Confident	4 Å²	4	37.6 Å²	37.6	2%	0.024	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.4	167.5	-179.9	0	0	0	0	107.6	F595 L619 C647 I648 L650	V593-F595 HydrophobicContact CG1-CE2 4.12Å; V593-F595 HydrophobicContact CG1-CZ 4.4Å; V593-L619 HydrophobicContact CG1-CD1 3.25Å; V593-L619 HydrophobicContact CG1-CG 4.26Å; V593-C647 CarbonylContact O-C 3.57Å; V593-C647 VanDerWaalsContact O-CA 3.24Å; V593-C647 WeakPolarHBondContact O-CA 3.18Å; V593-I648 PolarHBondContact N-O 3.44Å; V593-I648 PolarHBondContact O-N 3.36Å; V593-L650 HydrophobicContact CG2-CD2 3.67Å; V593-L650 HydrophobicContact CG2-CG 4.48Å
594	F	89.6	Confident	88.3	Confident	22 Å²	22	36.9 Å²	36.9	10%	0.096	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138	-175.4	-58.2	-94.4	0	0	0	110.8	L583 L584 L590 A592 I620 Q646 C647	L583-F594 HydrophobicContact CD1-CD1 4.12Å; L583-F594 HydrophobicContact CD1-CE1 3.83Å; L583-F594 HydrophobicContact CD1-CZ 4.28Å; L583-F594 HydrophobicContact CD2-CB 4.33Å; L583-F594 HydrophobicContact CD2-CD1 3.98Å; L583-F594 HydrophobicContact CD2-CD2 4.18Å; L583-F594 HydrophobicContact CD2-CE1 4.32Å; L583-F594 HydrophobicContact CD2-CE2 4.5Å; L583-F594 HydrophobicContact CD2-CG 3.92Å; L583-F594 HydrophobicContact CG-CE1 4.37Å; L583-F594 HydrophobicContact CG-CZ 4.49Å; L584-F594 HydrophobicContact CD1-CD2 4.32Å; L584-F594 HydrophobicContact CD1-CE2 4.03Å; L584-F594 HydrophobicContact CD2-CE2 4.21Å; L584-F594 HydrophobicContact CG-CE2 4.36Å; L590-F594 HydrophobicContact CD1-CE2 4.33Å; A592-F594 HydrophobicContact CB-CE2 4.2Å; A592-F594 HydrophobicContact CB-CZ 4.06Å; A592-F594 WeakPolarHBondContact O-CD2 3.28Å; A592-F594 VanDerWaalsContact O-CE2 3.31Å; A592-F594 WeakPolarHBondContact O-CE2 3.35Å; F594-I620 HydrophobicContact CB-CB 4.24Å; F594-I620 PolarHBondContact N-O 3.49Å; F594-I620 PolarHBondContact O-N 3.37Å; F594-Q646 CarbonylContact C-O 3.51Å; F594-Q646 WeakPolarHBondContact CA-O 3.49Å; F594-C647 HydrophobicContact CD1-CB 3.48Å; F594-C647 VanDerWaalsContact CD1-CB 3.48Å; F594-C647 HydrophobicContact CE1-CB 3.61Å; F594-C647 HydrophobicContact CG-CB 4.29Å
595	F	89.6	Confident	88.2	Confident	5 Å²	5	38.6 Å²	38.6	2%	0.022	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.8	175.2	-64.1	-95.4	0	0	0	108.3	I551 L554 L556 F557 V593 L619 L645 Q646 I648	I551-F595 HydrophobicContact CD1-CB 3.35Å; I551-F595 HydrophobicContact CD1-CD1 4.2Å; I551-F595 HydrophobicContact CD1-CD2 4.13Å; I551-F595 HydrophobicContact CD1-CG 3.65Å; I551-F595 HydrophobicContact CG2-CD1 4.42Å; I551-F595 HydrophobicContact CG2-CD2 4.45Å; I551-F595 HydrophobicContact CG2-CE1 4.46Å; I551-F595 HydrophobicContact CG2-CG 4.42Å; L554-F595 HydrophobicContact CD1-CD1 3.7Å; L554-F595 HydrophobicContact CD1-CE1 3.88Å; L556-F595 HydrophobicContact CD2-CE1 4.22Å; L556-F595 HydrophobicContact CD2-CZ 4.11Å; F557-F595 HydrophobicContact CE2-CE1 4.1Å; F557-F595 AromaticContact CE2-CZ 3.88Å; F557-F595 HydrophobicContact CE2-CZ 3.88Å; F557-F595 AromaticContact CZ-CZ 3.94Å; F557-F595 HydrophobicContact CZ-CZ 3.94Å; V593-F595 HydrophobicContact CG1-CE2 4.12Å; V593-F595 HydrophobicContact CG1-CZ 4.4Å; F595-L619 HydrophobicContact CD1-CD1 3.72Å; F595-L619 HydrophobicContact CD2-CD1 4.32Å; F595-L619 HydrophobicContact CE1-CD1 3.38Å; F595-L619 HydrophobicContact CE1-CG 4.42Å; F595-L619 HydrophobicContact CE2-CD1 3.99Å; F595-L619 HydrophobicContact CG-CD1 4.18Å; F595-L619 HydrophobicContact CZ-CD1 3.52Å; F595-L645 WeakPolarHBondContact O-CA 3.25Å; F595-Q646 PolarHBondContact N-O 3.01Å; F595-Q646 PolarHBondContact O-N 3.02Å; F595-I648 HydrophobicContact CD2-CD1 4.48Å; F595-I648 HydrophobicContact CD2-CG1 4.37Å; F595-I648 HydrophobicContact CE2-CD1 3.64Å; F595-I648 HydrophobicContact CE2-CG1 3.84Å; F595-I648 HydrophobicContact CZ-CD1 4.27Å
596	V	89.8	Confident	88	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	109.6	177.1	-174.1	0	0	0	0	109.2	M601 G617 D618 I620 L645	V596-M601 HydrophobicContact CG2-SD 4.24Å; V596-G617 PolarHBondContact O-N 3.15Å; V596-D618 HydrophobicContact CB-CB 4.28Å; V596-D618 HydrophobicContact CG2-CB 4.3Å; V596-D618 PolarHBondContact N-O 3.1Å; V596-I620 HydrophobicContact CG2-CD1 3.81Å; V596-I620 HydrophobicContact CG2-CG1 4.29Å; V596-L645 HydrophobicContact CB-CD2 4.18Å; V596-L645 HydrophobicContact CG1-CD2 4.22Å; V596-L645 HydrophobicContact CG2-CD2 3.85Å
597	C	84.8	Confident	87.6	Confident	26 Å²	26	36.7 Å²	36.7	18%	0.176	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-42.4	179.7	-52.9	0	0	0	0	111	D644 Q646	C597-D644 HydrophobicContact CB-CB 4.41Å; C597-D644 WeakPolarHBondContact CB-O 3.42Å; C597-D644 PolarHBondContact N-O 3.35Å; C597-Q646 PolarHBondContact SG-OE1 3.38Å
598	S	86.6	Confident	87.7	Confident	57 Å²	57	40.9 Å²	40.9	40%	0.399	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	146.1	-178.6	-172	0	0	0	0	110.5	C643 D644	S598-C643 VanDerWaalsContact O-CA 3.28Å; S598-C643 WeakPolarHBondContact O-CA 3.11Å; S598-D644 PolarHBondContact N-O 3.36Å; S598-D644 PolarHBondContact O-N 3.04Å
599	G	88.3	Confident	87.8	Confident	24 Å²	24	41 Å²	41	25%	0.247	25%	0.248	C	C	.	.	S	Bend	trans	96.5	-175.5	-179.2	0	0	0	0	0	113.8	T641	G599-T641 WeakPolarHBondContact CA-OG1 3.31Å
600	S	90.9	Very high	87.7	Confident	24 Å²	24	43.1 Å²	43.1	17%	0.168	25%	0.252	C	S	.	.			trans	-131.4	141.7	178.9	58.5	0	0	0	0	112.7	L613 L640 T641 C643	S600-L613 CarbonylContact C-O 3.54Å; S600-L613 VanDerWaalsContact CA-O 3.24Å; S600-L613 WeakPolarHBondContact CA-O 3.46Å; S600-L640 WeakPolarHBondContact O-CB 3.32Å; S600-L640 PolarHBondContact O-N 2.86Å; S600-T641 PolarHBondContact N-OG1 2.89Å; S600-T641 PolarHBondContact O-N 3.3Å; S600-C643 PolarHBondContact N-SG 2.88Å; S600-C643 VanDerWaalsContact N-SG 3.44Å; S600-C643 PolarHBondContact O-SG 3.15Å
601	M	91.3	Very high	87.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.8	178.5	-53.6	-170.4	82.7	0	0	110.3	L583 V596 I612 L613 I620 V637 K638 A639 C643 L645	L583-M601 HydrophobicContact CB-CE 3.67Å; L583-M601 HydrophobicContact CD2-CE 3.84Å; L583-M601 HydrophobicContact CD2-SD 4.32Å; L583-M601 HydrophobicContact CG-CE 4.33Å; V596-M601 HydrophobicContact CG2-SD 4.24Å; M601-I612 CarbonylContact O-C 3.59Å; M601-I612 WeakPolarHBondContact O-CA 3.29Å; M601-L613 HydrophobicContact CB-CB 4.36Å; M601-L613 PolarHBondContact N-O 3.47Å; M601-L613 PolarHBondContact O-N 3.47Å; M601-I620 HydrophobicContact SD-CD1 3.84Å; M601-V637 HydrophobicContact CB-CG1 4.41Å; M601-V637 HydrophobicContact CE-CG1 3.73Å; M601-V637 HydrophobicContact SD-CG1 4.21Å; M601-K638 CarbonylContact C-O 3.58Å; M601-K638 VanDerWaalsContact CA-O 3.26Å; M601-K638 WeakPolarHBondContact CA-O 3.46Å; M601-A639 HydrophobicContact CE-CB 4.25Å; M601-C643 HydrophobicContact CG-CB 4.43Å; M601-L645 HydrophobicContact CE-CD1 4.13Å; M601-L645 HydrophobicContact SD-CD1 4.02Å; M601-L645 HydrophobicContact SD-CD2 3.74Å; M601-L645 HydrophobicContact SD-CG 4.49Å
602	E	91.7	Very high	87.9	Confident	24 Å²	24	42 Å²	42	11%	0.112	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140.4	170.9	63.4	-178.3	176.7	0	0	110.4	L604 V609 A611 K638 L640	E602-L604 HydrophobicContact CG-CD1 4.09Å; E602-L604 HydrophobicContact CG-CG 4.15Å; E602-V609 HydrophobicContact CB-CG1 4.4Å; E602-A611 WeakPolarHBondContact CA-O 3.49Å; E602-K638 HydrophobicContact CG-CB 3.99Å; E602-K638 PolarHBondContact N-O 3.22Å; E602-K638 PolarHBondContact O-N 2.81Å; E602-K638 WeakPolarHBondContact OE1-CD 3.42Å; E602-K638 IonicContact OE1-NZ 3.91Å; E602-K638 PolarHBondContact OE1-NZ 3.31Å; E602-L640 HydrophobicContact CB-CD1 4.26Å; E602-L640 HydrophobicContact CB-CD2 4.26Å; E602-L640 HydrophobicContact CB-CG 4.2Å; E602-L640 HydrophobicContact CG-CD2 3.92Å; E602-L640 HydrophobicContact CG-CG 4.2Å
603	V	90.9	Very high	87.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.1	171.3	-175.1	0	0	0	0	108.1	L610 A611 L613 A635 D636 V637 Y677	V603-L610 PolarHBondContact O-N 3.28Å; V603-A611 HydrophobicContact CB-CB 4.19Å; V603-A611 HydrophobicContact CG2-CB 4.22Å; V603-A611 PolarHBondContact N-O 2.97Å; V603-L613 HydrophobicContact CG2-CD1 3.52Å; V603-L613 HydrophobicContact CG2-CG 4.26Å; V603-A635 HydrophobicContact CG1-CB 3.51Å; V603-D636 CarbonylContact C-O 3.6Å; V603-D636 WeakPolarHBondContact CA-O 3.44Å; V603-V637 HydrophobicContact CG2-CG2 4.36Å; V603-Y677 HydrophobicContact CG1-CD1 4.02Å; V603-Y677 HydrophobicContact CG1-CE1 3.65Å; V603-Y677 HydrophobicContact CG1-CE2 4.33Å; V603-Y677 HydrophobicContact CG2-CD1 4.44Å; V603-Y677 HydrophobicContact CG2-CG 4.4Å
604	L	89.9	Confident	87.3	Confident	17 Å²	17	44.4 Å²	44.4	9%	0.089	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.5	-174	-67.3	157.3	0	0	0	110.1	Y582 E602 M608 V609 A635 D636 K638	Y582-L604 HydrophobicContact CE1-CD1 4.37Å; E602-L604 HydrophobicContact CG-CD1 4.09Å; E602-L604 HydrophobicContact CG-CG 4.15Å; L604-M608 CarbonylContact C-O 3.55Å; L604-M608 WeakPolarHBondContact CA-O 3.4Å; L604-V609 HydrophobicContact CD2-CB 4.42Å; L604-V609 HydrophobicContact CD2-CG2 3.6Å; L604-A635 CarbonylContact O-C 3.6Å; L604-A635 WeakPolarHBondContact O-CA 3.34Å; L604-A635 WeakPolarHBondContact O-CB 3.34Å; L604-D636 HydrophobicContact CB-CB 4.06Å; L604-D636 PolarHBondContact N-O 2.97Å; L604-D636 PolarHBondContact O-N 3.21Å; L604-K638 HydrophobicContact CD1-CB 4.08Å; L604-K638 HydrophobicContact CD1-CD 3.97Å
605	K	87.2	Confident	86.4	Confident	51 Å²	51	44.7 Å²	44.7	22%	0.222	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	124.1	169	-174.7	177.8	-179.2	174.2	0	109.5	G607 M608 L610 N634	K605-G607 PolarHBondContact O-N 2.84Å; K605-G607 VanDerWaalsContact O-N 3.09Å; K605-M608 PolarHBondContact N-O 2.99Å; K605-M608 PolarHBondContact O-N 2.82Å; K605-L610 HydrophobicContact CB-CD1 3.41Å; K605-L610 VanDerWaalsContact CB-CD1 3.41Å; K605-L610 HydrophobicContact CB-CG 3.96Å; K605-L610 HydrophobicContact CD-CD1 3.93Å; K605-L610 HydrophobicContact CG-CD1 4.31Å; K605-N634 PolarHBondContact NZ-ND2 3.08Å
606	D	84.3	Confident	85.6	Confident	121 Å²	121	53.2 Å²	53.2	65%	0.647	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	33.7	-177.8	-54.2	-49	0	0	0	112.8	M608	D606-M608 VanDerWaalsContact C-N 3.33Å; D606-M608 PolarHBondContact O-N 2.87Å
607	G	80.1	Confident	84.8	Confident	69 Å²	69	54.3 Å²	54.3	71%	0.711	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-0.8	-177.5	0	0	0	0	0	115.9	K605	K605-G607 PolarHBondContact O-N 2.84Å; K605-G607 VanDerWaalsContact O-N 3.09Å
608	M	86.7	Confident	84.8	Confident	130 Å²	130	54.5 Å²	54.5	64%	0.64	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.1	173.6	-73.2	-174.1	-79.4	0	0	111.7	L604 K605 D606 L610	L604-M608 CarbonylContact C-O 3.55Å; L604-M608 WeakPolarHBondContact CA-O 3.4Å; K605-M608 PolarHBondContact N-O 2.99Å; K605-M608 PolarHBondContact O-N 2.82Å; D606-M608 VanDerWaalsContact C-N 3.33Å; D606-M608 PolarHBondContact O-N 2.87Å; M608-L610 PolarHBondContact O-N 2.9Å
609	V	88	Confident	84.8	Confident	76 Å²	76	52 Å²	52	46%	0.461	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	116.2	174	-178.2	0	0	0	0	109	E602 L604 I612	E602-V609 HydrophobicContact CB-CG1 4.4Å; L604-V609 HydrophobicContact CD2-CB 4.42Å; L604-V609 HydrophobicContact CD2-CG2 3.6Å; V609-I612 HydrophobicContact CG1-CG1 4.05Å
610	L	84.9	Confident	84.6	Confident	88 Å²	88	50.9 Å²	50.9	46%	0.461	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-35.6	178.8	-66.1	-175.2	0	0	0	112.8	V603 K605 M608 Y677	V603-L610 PolarHBondContact O-N 3.28Å; K605-L610 HydrophobicContact CB-CD1 3.41Å; K605-L610 VanDerWaalsContact CB-CD1 3.41Å; K605-L610 HydrophobicContact CB-CG 3.96Å; K605-L610 HydrophobicContact CD-CD1 3.93Å; K605-L610 HydrophobicContact CG-CD1 4.31Å; M608-L610 PolarHBondContact O-N 2.9Å; L610-Y677 HydrophobicContact CB-CE2 4.29Å; L610-Y677 WeakPolarHBondContact CD1-OH 3.46Å
611	A	84.8	Confident	84.2	Confident	24 Å²	24	49.8 Å²	49.8	20%	0.198	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	151	-179.5	0	0	0	0	0	110.8	E602 V603 Y677	E602-A611 WeakPolarHBondContact CA-O 3.49Å; V603-A611 HydrophobicContact CB-CB 4.19Å; V603-A611 HydrophobicContact CG2-CB 4.22Å; V603-A611 PolarHBondContact N-O 2.97Å; A611-Y677 HydrophobicContact CB-CD2 3.83Å; A611-Y677 HydrophobicContact CB-CE2 4.25Å
612	I	88.3	Confident	83.6	Confident	108 Å²	108	49.9 Å²	49.9	55%	0.554	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.8	167.8	-59.5	174.6	0	0	0	106.7	M601 V609 A614 L640	M601-I612 CarbonylContact O-C 3.59Å; M601-I612 WeakPolarHBondContact O-CA 3.29Å; V609-I612 HydrophobicContact CG1-CG1 4.05Å; I612-A614 HydrophobicContact CG2-CB 4.36Å; I612-L640 HydrophobicContact CG2-CD1 4.17Å
613	L	86.6	Confident	82.9	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	102.5	-180	-60.5	156	0	0	0	106.7	S600 M601 V603 D618 I620 T676	S600-L613 CarbonylContact C-O 3.54Å; S600-L613 VanDerWaalsContact CA-O 3.24Å; S600-L613 WeakPolarHBondContact CA-O 3.46Å; M601-L613 HydrophobicContact CB-CB 4.36Å; M601-L613 PolarHBondContact N-O 3.47Å; M601-L613 PolarHBondContact O-N 3.47Å; V603-L613 HydrophobicContact CG2-CD1 3.52Å; V603-L613 HydrophobicContact CG2-CG 4.26Å; L613-D618 WeakPolarHBondContact CA-OD2 3.23Å; L613-D618 HydrophobicContact CB-CB 4.44Å; L613-D618 HydrophobicContact CD2-CB 4.23Å; L613-I620 HydrophobicContact CD1-CD1 3.53Å; L613-I620 HydrophobicContact CD1-CG1 3.62Å; L613-T676 HydrophobicContact CD2-CG2 3.51Å
614	A	78.9	Confident	81.9	Confident	64 Å²	64	51 Å²	51	53%	0.529	30%	0.301	S	S	.	.			trans	-131.8	0.6	-175.9	0	0	0	0	0	112.3	I612 D618	I612-A614 HydrophobicContact CG2-CB 4.36Å; A614-D618 PolarHBondContact N-OD2 2.98Å; A614-D618 VanDerWaalsContact N-OD2 3.09Å
615	G	70.6	Confident	80.6	Confident	29 Å²	29	52.9 Å²	52.9	30%	0.299	32%	0.316	S	S	.	.	S	Bend	trans	-79	137.9	175.3	0	0	0	0	0	111.1	G617 D618	G615-G617 PolarHBondContact O-N 3.43Å; G615-D618 VanDerWaalsContact CA-CG 3.48Å; G615-D618 WeakPolarHBondContact CA-OD1 3.39Å; G615-D618 WeakPolarHBondContact CA-OD2 3.38Å; G615-D618 PolarHBondContact N-OD2 3.43Å; G615-D618 WeakPolarHBondContact O-CB 3.21Å; G615-D618 VanDerWaalsContact O-CG 3.24Å; G615-D618 PolarHBondContact O-N 2.9Å; G615-D618 VanDerWaalsContact O-N 3.17Å
616	K	73.7	Confident	79.3	Confident	184 Å²	184	56.4 Å²	56.4	80%	0.8	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	119.1	168.2	-65.6	-171.7	175.5	-173	0	108.4
617	G	72.8	Confident	78	Confident	24 Å²	24	56.8 Å²	56.8	25%	0.247	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	8.5	-175.6	0	0	0	0	0	114.4	V596 G615 L619	V596-G617 PolarHBondContact O-N 3.15Å; G615-G617 PolarHBondContact O-N 3.43Å; G617-L619 PolarHBondContact O-N 2.62Å
618	D	84.3	Confident	76.7	Confident	30 Å²	30	61.3 Å²	61.3	16%	0.16	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	131.3	174.9	-75.8	-5	0	0	0	110.4	V596 L613 A614 G615 T676	V596-D618 HydrophobicContact CB-CB 4.28Å; V596-D618 HydrophobicContact CG2-CB 4.3Å; V596-D618 PolarHBondContact N-O 3.1Å; L613-D618 WeakPolarHBondContact CA-OD2 3.23Å; L613-D618 HydrophobicContact CB-CB 4.44Å; L613-D618 HydrophobicContact CD2-CB 4.23Å; A614-D618 PolarHBondContact N-OD2 2.98Å; A614-D618 VanDerWaalsContact N-OD2 3.09Å; G615-D618 VanDerWaalsContact CA-CG 3.48Å; G615-D618 WeakPolarHBondContact CA-OD1 3.39Å; G615-D618 WeakPolarHBondContact CA-OD2 3.38Å; G615-D618 PolarHBondContact N-OD2 3.43Å; G615-D618 WeakPolarHBondContact O-CB 3.21Å; G615-D618 VanDerWaalsContact O-CG 3.24Å; G615-D618 PolarHBondContact O-N 2.9Å; G615-D618 VanDerWaalsContact O-N 3.17Å; D618-T676 HydrophobicContact CB-CG2 4.37Å
619	L	85.4	Confident	75.7	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.026	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.5	-174.1	-177.4	58.2	0	0	0	111	L556 V593 F595 G617 I671 L675 T676	L556-L619 HydrophobicContact CD2-CD2 4.31Å; V593-L619 HydrophobicContact CG1-CD1 3.25Å; V593-L619 HydrophobicContact CG1-CG 4.26Å; F595-L619 HydrophobicContact CD1-CD1 3.72Å; F595-L619 HydrophobicContact CD2-CD1 4.32Å; F595-L619 HydrophobicContact CE1-CD1 3.38Å; F595-L619 HydrophobicContact CE1-CG 4.42Å; F595-L619 HydrophobicContact CE2-CD1 3.99Å; F595-L619 HydrophobicContact CG-CD1 4.18Å; F595-L619 HydrophobicContact CZ-CD1 3.52Å; G617-L619 PolarHBondContact O-N 2.62Å; L619-I671 HydrophobicContact CD2-CD1 4.11Å; L619-I671 HydrophobicContact CD2-CG1 3.89Å; L619-L675 HydrophobicContact CD2-CD2 4.23Å; L619-L675 HydrophobicContact CD2-CG 4.27Å; L619-L675 HydrophobicContact CG-CD2 4.12Å; L619-T676 PolarHBondContact N-OG1 3.13Å; L619-T676 PolarHBondContact O-N 3.23Å
620	I	85.1	Confident	74.9	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114.7	175.8	-49.1	174.8	0	0	0	108.3	F594 V596 M601 L613 V637 L679	F594-I620 HydrophobicContact CB-CB 4.24Å; F594-I620 PolarHBondContact N-O 3.49Å; F594-I620 PolarHBondContact O-N 3.37Å; V596-I620 HydrophobicContact CG2-CD1 3.81Å; V596-I620 HydrophobicContact CG2-CG1 4.29Å; M601-I620 HydrophobicContact SD-CD1 3.84Å; L613-I620 HydrophobicContact CD1-CD1 3.53Å; L613-I620 HydrophobicContact CD1-CG1 3.62Å; I620-V637 HydrophobicContact CD1-CG1 4.19Å; I620-V637 HydrophobicContact CG2-CG2 4.47Å; I620-L679 HydrophobicContact CG2-CD1 3.69Å; I620-L679 HydrophobicContact CG2-CG 4.35Å
621	G	82.9	Confident	74.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	-155.6	-180	0	0	0	0	0	112.8	L679	G621-L679 PolarHBondContact O-N 2.83Å
622	A	79.1	Confident	74.3	Confident	3 Å²	3	68 Å²	68	3%	0.025	36%	0.361	C	S	.	.			trans	-138.3	156.2	175	0	0	0	0	0	109.3	L590 L624 I631 R680	L590-A622 HydrophobicContact CD2-CB 3.73Å; A622-L624 PolarHBondContact O-N 3.31Å; A622-L624 VanDerWaalsContact O-N 3.16Å; A622-I631 HydrophobicContact CB-CD1 4.01Å; A622-I631 HydrophobicContact CB-CG2 3.74Å; A622-R680 HydrophobicContact CB-CB 3.96Å
623	N	75.6	Confident	74.2	Confident	44 Å²	44	62.9 Å²	62.9	24%	0.235	34%	0.335	C	S	.	.			trans	-60.6	119.1	174.2	-165.8	-4.5	0	0	0	109.9	S625 Q672 L675	N623-S625 PolarHBondContact O-N 3.49Å; N623-Q672 VanDerWaalsContact CG-CG 3.46Å; N623-Q672 WeakPolarHBondContact ND2-CG 3.46Å; N623-Q672 PolarHBondContact ND2-NE2 3.12Å; N623-Q672 WeakPolarHBondContact OD1-CG 3.44Å; N623-Q672 PolarHBondContact OD1-NE2 3.31Å; N623-L675 HydrophobicContact CB-CD1 4.47Å
624	L	69.9	Low	74.1	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.021	34%	0.337	C	S	.	.			trans	-76.3	112.7	-179	-66.7	102.3	0	0	0	109.1	A622 L650 L653 Y654 F667 I671	A622-L624 PolarHBondContact O-N 3.31Å; A622-L624 VanDerWaalsContact O-N 3.16Å; L624-L650 HydrophobicContact CD2-CD2 3.71Å; L624-L650 HydrophobicContact CG-CD2 4.46Å; L624-L653 HydrophobicContact CD2-CD2 3.92Å; L624-Y654 HydrophobicContact CD2-CE1 3.97Å; L624-F667 HydrophobicContact CD1-CE1 4.04Å; L624-I671 HydrophobicContact CD1-CD1 3.34Å; L624-I671 HydrophobicContact CD1-CG1 4.03Å; L624-I671 HydrophobicContact CD1-CG2 3.96Å
625	S	63.3	Low	74.4	Confident	55 Å²	55	60.2 Å²	60.2	39%	0.385	31%	0.312	S	S	.	.			trans	-97.7	142.7	162.7	-174.2	0	0	0	0	107.8	N623 D627 Y654	N623-S625 PolarHBondContact O-N 3.49Å; S625-D627 PolarHBondContact O-N 3.09Å; S625-Y654 PolarHBondContact O-OH 3.05Å
626	L	59.3	Low	75.4	Confident	126 Å²	126	60.6 Å²	60.6	66%	0.66	31%	0.307	S	S	*	.	S	Bend	trans	-67.5	-8.3	175.3	-80.2	90.3	0	0	0	112.9	N628	L626-N628 PolarHBondContact O-N 3.3Å
627	D	57.3	Low	76.2	Confident	128 Å²	128	51.8 Å²	51.8	68%	0.684	27%	0.269	S	S	*	.	S	Bend	trans	-77.7	121.9	176.5	-113.3	-7.6	0	0	0	110.9	S625 R629	S625-D627 PolarHBondContact O-N 3.09Å; D627-R629 PolarHBondContact O-N 3.37Å
628	N	54.2	Low	77.1	Confident	164 Å²	164	53 Å²	53	88%	0.877	27%	0.267	S	S	*	.			trans	-66.5	38.3	-167	-119.7	-10.7	0	0	0	115.8	L626	L626-N628 PolarHBondContact O-N 3.3Å
629	R	64.7	Low	77.4	Confident	212 Å²	212	51.6 Å²	51.6	80%	0.8	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-92.8	130.7	179.1	-74.3	-175.5	167.7	-168.2	-2.8	110.7	D627 I631	D627-R629 PolarHBondContact O-N 3.37Å; R629-I631 PolarHBondContact O-N 2.97Å; R629-I631 VanDerWaalsContact O-N 3.13Å
630	V	71	Confident	77.6	Confident	109 Å²	109	54.7 Å²	54.7	66%	0.661	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-54.5	118.2	170.2	179.6	0	0	0	0	108.9	A589 K632	A589-V630 HydrophobicContact CB-CG1 3.48Å; A589-V630 VanDerWaalsContact CB-CG1 3.48Å; V630-K632 PolarHBondContact O-N 3.43Å
631	I	75.4	Confident	77.8	Confident	20 Å²	20	57.4 Å²	57.4	10%	0.103	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-80.2	118.5	177.5	-56.6	174.7	0	0	0	107.4	A589 L590 A622 R629 R680	A589-I631 WeakPolarHBondContact CA-O 3.36Å; L590-I631 HydrophobicContact CB-CB 4.26Å; L590-I631 HydrophobicContact CB-CG2 4.36Å; L590-I631 HydrophobicContact CD2-CG2 4.42Å; L590-I631 PolarHBondContact N-O 3.4Å; A622-I631 HydrophobicContact CB-CD1 4.01Å; A622-I631 HydrophobicContact CB-CG2 3.74Å; R629-I631 PolarHBondContact O-N 2.97Å; R629-I631 VanDerWaalsContact O-N 3.13Å; I631-R680 HydrophobicContact CG2-CB 4.35Å
632	K	82.9	Confident	78	Confident	117 Å²	117	63.8 Å²	63.8	51%	0.509	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-89.8	138.3	172	-65.8	-174	179	-173.8	0	110.1	D588 V630	D588-K632 CarbonylContact O-C 3.6Å; D588-K632 WeakPolarHBondContact O-CA 3.36Å; V630-K632 PolarHBondContact O-N 3.43Å
633	T	84.9	Confident	78.3	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.012	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-73.3	136.4	175.8	52.5	0	0	0	0	111	L584 R585 G587 D588 L590 L679	L584-T633 HydrophobicContact CB-CG2 4.43Å; L584-T633 HydrophobicContact CD1-CG2 4.21Å; R585-T633 PolarHBondContact O-OG1 3.48Å; G587-T633 PolarHBondContact N-O 2.89Å; G587-T633 PolarHBondContact N-OG1 2.91Å; D588-T633 PolarHBondContact N-OG1 2.84Å; D588-T633 VanDerWaalsContact N-OG1 3.07Å; D588-T633 PolarHBondContact O-N 3.11Å; D588-T633 PolarHBondContact O-OG1 3.26Å; D588-T633 VanDerWaalsContact O-OG1 3.13Å; L590-T633 HydrophobicContact CB-CG2 4.31Å; L590-T633 HydrophobicContact CD1-CG2 4.36Å; T633-L679 HydrophobicContact CG2-CD1 4.27Å
634	N	83.9	Confident	78.8	Confident	9 Å²	9	65.2 Å²	65.2	5%	0.048	33%	0.325	C	S	.	.	S	Bend	trans	-93.4	-10.8	178.3	-165.8	26.5	0	0	0	113.9	Q586 K605 L679 E681 G682	Q586-N634 PolarHBondContact NE2-O 3.21Å; K605-N634 PolarHBondContact NZ-ND2 3.08Å; N634-L679 VanDerWaalsContact CB-O 3.29Å; N634-L679 WeakPolarHBondContact CB-O 3.24Å; N634-L679 PolarHBondContact N-O 3.47Å; N634-E681 PolarHBondContact ND2-O 3.02Å; N634-G682 WeakPolarHBondContact ND2-CA 3.23Å
635	A	86.3	Confident	79.7	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	-141.2	155.1	-173.8	0	0	0	0	0	111	V603 L604 Y677 L679	V603-A635 HydrophobicContact CG1-CB 3.51Å; L604-A635 CarbonylContact O-C 3.6Å; L604-A635 WeakPolarHBondContact O-CA 3.34Å; L604-A635 WeakPolarHBondContact O-CB 3.34Å; A635-Y677 HydrophobicContact CB-CE1 4.3Å; A635-L679 HydrophobicContact CB-CD2 4.31Å
636	D	90.6	Very high	81	Confident	36 Å²	36	63.3 Å²	63.3	19%	0.193	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	138.6	168.6	-70.4	-21.3	0	0	0	109.1	Y582 L584 R585 Q586 V603 L604	Y582-D636 HydrophobicContact CD1-CB 4.07Å; Y582-D636 HydrophobicContact CE1-CB 4.02Å; L584-D636 CarbonylContact O-C 3.59Å; L584-D636 WeakPolarHBondContact O-CA 3.35Å; R585-D636 WeakPolarHBondContact CA-OD1 3.47Å; Q586-D636 PolarHBondContact N-OD1 2.87Å; V603-D636 CarbonylContact C-O 3.6Å; V603-D636 WeakPolarHBondContact CA-O 3.44Å; L604-D636 HydrophobicContact CB-CB 4.06Å; L604-D636 PolarHBondContact N-O 2.97Å; L604-D636 PolarHBondContact O-N 3.21Å
637	V	91	Very high	82.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122	173.8	-176	0	0	0	0	108.1	Y582 L583 L584 M601 V603 I620 L679	Y582-V637 CarbonylContact C-O 3.53Å; Y582-V637 WeakPolarHBondContact CA-O 3.37Å; L583-V637 HydrophobicContact CB-CB 4.47Å; L583-V637 HydrophobicContact CB-CG1 4.42Å; L583-V637 HydrophobicContact CD2-CG1 4.37Å; L583-V637 PolarHBondContact N-O 3.35Å; L584-V637 HydrophobicContact CB-CB 4.33Å; L584-V637 HydrophobicContact CB-CG2 4.32Å; L584-V637 HydrophobicContact CD1-CG2 4.43Å; L584-V637 PolarHBondContact N-O 3.48Å; L584-V637 PolarHBondContact O-N 3.44Å; M601-V637 HydrophobicContact CB-CG1 4.41Å; M601-V637 HydrophobicContact CE-CG1 3.73Å; M601-V637 HydrophobicContact SD-CG1 4.21Å; V603-V637 HydrophobicContact CG2-CG2 4.36Å; I620-V637 HydrophobicContact CD1-CG1 4.19Å; I620-V637 HydrophobicContact CG2-CG2 4.47Å; V637-L679 HydrophobicContact CG2-CD2 3.95Å
638	K	91.2	Very high	84	Confident	49 Å²	49	52.2 Å²	52.2	21%	0.213	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.1	-172.8	-179.1	180	159.6	-145	0	111.2	E581 Y582 M601 E602 L604	E581-K638 CarbonylContact O-C 3.55Å; E581-K638 WeakPolarHBondContact O-CA 3.27Å; Y582-K638 HydrophobicContact CD1-CB 4.07Å; Y582-K638 HydrophobicContact CD1-CG 4.47Å; Y582-K638 HydrophobicContact CE1-CB 4.19Å; Y582-K638 HydrophobicContact CE1-CD 4.05Å; Y582-K638 HydrophobicContact CE1-CG 4.45Å; Y582-K638 HydrophobicContact CE2-CD 4.15Å; M601-K638 CarbonylContact C-O 3.58Å; M601-K638 VanDerWaalsContact CA-O 3.26Å; M601-K638 WeakPolarHBondContact CA-O 3.46Å; E602-K638 HydrophobicContact CG-CB 3.99Å; E602-K638 PolarHBondContact N-O 3.22Å; E602-K638 PolarHBondContact O-N 2.81Å; E602-K638 WeakPolarHBondContact OE1-CD 3.42Å; E602-K638 IonicContact OE1-NZ 3.91Å; E602-K638 PolarHBondContact OE1-NZ 3.31Å; L604-K638 HydrophobicContact CD1-CB 4.08Å; L604-K638 HydrophobicContact CD1-CD 3.97Å
639	A	91.8	Very high	85.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	135.8	177.2	0	0	0	0	0	111.3	C577 T578 G580 E581 M601 C643	C577-A639 HydrophobicContact CB-CB 3.95Å; T578-A639 WeakPolarHBondContact O-CB 3.3Å; G580-A639 WeakPolarHBondContact CA-O 3.4Å; G580-A639 PolarHBondContact N-O 3.39Å; E581-A639 PolarHBondContact O-N 2.94Å; M601-A639 HydrophobicContact CE-CB 4.25Å; A639-C643 HydrophobicContact CB-CB 4.4Å
640	L	89.9	Confident	86.7	Confident	70 Å²	70	38.1 Å²	38.1	37%	0.366	19%	0.193	S	C	.	.	S	Bend	trans	-92.8	-39.3	173.9	-67.7	173.9	0	0	0	111.3	S600 E602 I612	S600-L640 WeakPolarHBondContact O-CB 3.32Å; S600-L640 PolarHBondContact O-N 2.86Å; E602-L640 HydrophobicContact CB-CD1 4.26Å; E602-L640 HydrophobicContact CB-CD2 4.26Å; E602-L640 HydrophobicContact CB-CG 4.2Å; E602-L640 HydrophobicContact CG-CD2 3.92Å; E602-L640 HydrophobicContact CG-CG 4.2Å; I612-L640 HydrophobicContact CG2-CD1 4.17Å
641	T	89.2	Confident	87.4	Confident	57 Å²	57	40.3 Å²	40.3	35%	0.35	19%	0.193	S	C	.	.	S	Bend	trans	-115.9	-176.2	176.2	64.7	0	0	0	0	110.2	G599 S600 C643	G599-T641 WeakPolarHBondContact CA-OG1 3.31Å; S600-T641 PolarHBondContact N-OG1 2.89Å; S600-T641 PolarHBondContact O-N 3.3Å; T641-C643 PolarHBondContact O-N 3.24Å; T641-C643 PolarHBondContact O-SG 3.12Å
642	Y	85.8	Confident	87.9	Confident	134 Å²	134	39.5 Å²	39.5	53%	0.525	19%	0.19	S	C	.	.			trans	-63.2	124.2	161.3	-64.2	-75.6	0	0	0	108.1	F576 T578 P579	F576-Y642 HydrophobicContact CE1-CD1 4.12Å; F576-Y642 HydrophobicContact CE2-CD1 4.36Å; F576-Y642 AromaticContact CZ-CD1 3.47Å; F576-Y642 HydrophobicContact CZ-CD1 3.47Å; F576-Y642 VanDerWaalsContact CZ-CD1 3.47Å; F576-Y642 HydrophobicContact CZ-CE1 4.32Å; F576-Y642 HydrophobicContact CZ-CG 4.18Å; T578-Y642 HydrophobicContact CG2-CD1 4.43Å; T578-Y642 HydrophobicContact CG2-CE1 4.21Å; P579-Y642 HydrophobicContact CG-CD1 4.17Å; P579-Y642 HydrophobicContact CG-CD2 4.06Å; P579-Y642 HydrophobicContact CG-CE1 4.12Å; P579-Y642 HydrophobicContact CG-CE2 3.98Å; P579-Y642 HydrophobicContact CG-CG 4.17Å
643	C	86.4	Confident	88.1	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.7	-175.3	-70	0	0	0	0	110.4	C577 S598 S600 M601 A639 T641 L645	C577-C643 HydrophobicContact CB-CB 4.25Å; C577-C643 PolarHBondContact N-O 3.02Å; C577-C643 PolarHBondContact O-N 3.12Å; S598-C643 VanDerWaalsContact O-CA 3.28Å; S598-C643 WeakPolarHBondContact O-CA 3.11Å; S600-C643 PolarHBondContact N-SG 2.88Å; S600-C643 VanDerWaalsContact N-SG 3.44Å; S600-C643 PolarHBondContact O-SG 3.15Å; M601-C643 HydrophobicContact CG-CB 4.43Å; A639-C643 HydrophobicContact CB-CB 4.4Å; T641-C643 PolarHBondContact O-N 3.24Å; T641-C643 PolarHBondContact O-SG 3.12Å; C643-L645 HydrophobicContact CB-CD2 4.31Å; C643-L645 HydrophobicContact CB-CG 4.4Å
644	D	86.9	Confident	88.2	Confident	78 Å²	78	37 Å²	37	42%	0.417	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118.7	169.4	-66.4	-31.4	0	0	0	108.1	F576 C597 S598	F576-D644 VanDerWaalsContact CD2-OD1 3.25Å; F576-D644 WeakPolarHBondContact CD2-OD1 3.45Å; C597-D644 HydrophobicContact CB-CB 4.41Å; C597-D644 WeakPolarHBondContact CB-O 3.42Å; C597-D644 PolarHBondContact N-O 3.35Å; S598-D644 PolarHBondContact N-O 3.36Å; S598-D644 PolarHBondContact O-N 3.04Å
645	L	88.2	Confident	88.4	Confident	2 Å²	2	42 Å²	42	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.7	-176.4	-54.4	175.7	0	0	0	109.8	T574 S575 L583 F595 V596 M601 C643	T574-L645 CarbonylContact C-O 3.51Å; T574-L645 WeakPolarHBondContact CA-O 3.42Å; S575-L645 PolarHBondContact N-O 3.47Å; S575-L645 WeakPolarHBondContact O-CA 3.29Å; S575-L645 WeakPolarHBondContact O-CB 3.48Å; S575-L645 PolarHBondContact O-N 3.26Å; L583-L645 HydrophobicContact CD1-CD1 3.72Å; L583-L645 HydrophobicContact CD2-CD1 3.74Å; L583-L645 HydrophobicContact CG-CD1 4.27Å; F595-L645 WeakPolarHBondContact O-CA 3.25Å; V596-L645 HydrophobicContact CB-CD2 4.18Å; V596-L645 HydrophobicContact CG1-CD2 4.22Å; V596-L645 HydrophobicContact CG2-CD2 3.85Å; M601-L645 HydrophobicContact CE-CD1 4.13Å; M601-L645 HydrophobicContact SD-CD1 4.02Å; M601-L645 HydrophobicContact SD-CD2 3.74Å; M601-L645 HydrophobicContact SD-CG 4.49Å; C643-L645 HydrophobicContact CB-CD2 4.31Å; C643-L645 HydrophobicContact CB-CG 4.4Å
646	Q	89.6	Confident	88.6	Confident	16 Å²	16	42.1 Å²	42.1	8%	0.075	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.4	166.2	-84	165.7	-37.6	0	0	108.7	N548 I551 I572 K573 T574 F594 F595 C597	N548-Q646 PolarHBondContact OD1-NE2 2.78Å; I551-Q646 HydrophobicContact CD1-CB 3.56Å; I551-Q646 HydrophobicContact CD1-CG 4.3Å; I551-Q646 HydrophobicContact CG1-CB 4.08Å; I551-Q646 HydrophobicContact CG1-CG 4.4Å; I572-Q646 HydrophobicContact CG2-CB 4.1Å; I572-Q646 HydrophobicContact CG2-CG 4.25Å; K573-Q646 CarbonylContact O-C 3.55Å; K573-Q646 WeakPolarHBondContact O-CA 3.44Å; T574-Q646 HydrophobicContact CG2-CG 3.75Å; F594-Q646 CarbonylContact C-O 3.51Å; F594-Q646 WeakPolarHBondContact CA-O 3.49Å; F595-Q646 PolarHBondContact N-O 3.01Å; F595-Q646 PolarHBondContact O-N 3.02Å; C597-Q646 PolarHBondContact SG-OE1 3.38Å
647	C	89.7	Confident	88.4	Confident	19 Å²	19	40.7 Å²	40.7	13%	0.128	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.2	-177.2	68.7	0	0	0	0	111.3	I572 K573 A592 V593 F594	I572-C647 WeakPolarHBondContact CA-O 3.45Å; K573-C647 PolarHBondContact N-O 3.04Å; K573-C647 PolarHBondContact O-N 2.91Å; A592-C647 HydrophobicContact CB-CB 4.14Å; V593-C647 CarbonylContact O-C 3.57Å; V593-C647 VanDerWaalsContact O-CA 3.24Å; V593-C647 WeakPolarHBondContact O-CA 3.18Å; F594-C647 HydrophobicContact CD1-CB 3.48Å; F594-C647 VanDerWaalsContact CD1-CB 3.48Å; F594-C647 HydrophobicContact CE1-CB 3.61Å; F594-C647 HydrophobicContact CG-CB 4.29Å
648	I	90.2	Very high	88.3	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.2	174.3	-49.4	-170.2	0	0	0	107.2	F557 L568 I572 A592 V593 F595 L650 L653	F557-I648 HydrophobicContact CZ-CD1 4.06Å; L568-I648 HydrophobicContact CD1-CD1 4.22Å; L568-I648 HydrophobicContact CD1-CG2 3.92Å; L568-I648 HydrophobicContact CD2-CD1 4.39Å; L568-I648 HydrophobicContact CG-CD1 4.41Å; I572-I648 HydrophobicContact CD1-CD1 4.29Å; I572-I648 HydrophobicContact CG1-CD1 4.06Å; I572-I648 HydrophobicContact CG1-CG1 4.01Å; A592-I648 CarbonylContact C-O 3.58Å; A592-I648 WeakPolarHBondContact CA-O 3.42Å; A592-I648 VanDerWaalsContact CB-O 3.32Å; A592-I648 WeakPolarHBondContact CB-O 3.3Å; V593-I648 PolarHBondContact N-O 3.44Å; V593-I648 PolarHBondContact O-N 3.36Å; F595-I648 HydrophobicContact CD2-CD1 4.48Å; F595-I648 HydrophobicContact CD2-CG1 4.37Å; F595-I648 HydrophobicContact CE2-CD1 3.64Å; F595-I648 HydrophobicContact CE2-CG1 3.84Å; F595-I648 HydrophobicContact CZ-CD1 4.27Å; I648-L650 PolarHBondContact O-N 3.42Å; I648-L653 HydrophobicContact CG2-CB 4.07Å; I648-L653 HydrophobicContact CG2-CD1 4.42Å
649	N	89	Confident	88.2	Confident	64 Å²	64	50.1 Å²	50.1	34%	0.342	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	128.3	177.3	-175	-3.2	0	0	0	109.7	Q591 K651 G652 L653	Q591-N649 PolarHBondContact O-OD1 3.14Å; Q591-N649 VanDerWaalsContact O-OD1 3.06Å; N649-K651 PolarHBondContact O-N 3.4Å; N649-K651 PolarHBondContact OD1-N 3.27Å; N649-G652 PolarHBondContact O-N 3.38Å; N649-L653 WeakPolarHBondContact O-CB 3.3Å; N649-L653 PolarHBondContact O-N 3.39Å
650	L	86.1	Confident	88.2	Confident	15 Å²	15	53.5 Å²	53.5	8%	0.079	26%	0.259	C	S	.	.	H	α-helix	trans	-58.1	-38.3	-179.1	-73.5	171	0	0	0	111.7	L590 Q591 V593 L624 I648 G652 L653 Y654	L590-L650 HydrophobicContact CG-CD1 4.4Å; L590-L650 VanDerWaalsContact O-CD1 3.24Å; L590-L650 WeakPolarHBondContact O-CD1 3.36Å; Q591-L650 WeakPolarHBondContact O-CB 3.38Å; Q591-L650 WeakPolarHBondContact O-CG 3.29Å; Q591-L650 PolarHBondContact O-N 2.99Å; V593-L650 HydrophobicContact CG2-CD2 3.67Å; V593-L650 HydrophobicContact CG2-CG 4.48Å; L624-L650 HydrophobicContact CD2-CD2 3.71Å; L624-L650 HydrophobicContact CG-CD2 4.46Å; I648-L650 PolarHBondContact O-N 3.42Å; L650-G652 PolarHBondContact O-N 2.84Å; L650-L653 HydrophobicContact CD2-CD2 4.45Å; L650-L653 PolarHBondContact O-N 2.87Å; L650-Y654 HydrophobicContact CB-CD2 4.37Å; L650-Y654 HydrophobicContact CB-CE2 4.12Å; L650-Y654 WeakPolarHBondContact O-CD2 3.41Å; L650-Y654 PolarHBondContact O-N 3.01Å
651	K	85.8	Confident	88	Confident	155 Å²	155	53.8 Å²	53.8	67%	0.674	27%	0.266	S	S	*	.	H	α-helix	trans	-59.7	-49.3	177.6	-65.6	-176.5	-179	179.6	0	111.8	N649 L653 Y654 E655	N649-K651 PolarHBondContact O-N 3.4Å; N649-K651 PolarHBondContact OD1-N 3.27Å; K651-L653 VanDerWaalsContact C-N 3.33Å; K651-Y654 PolarHBondContact O-N 2.79Å; K651-E655 WeakPolarHBondContact O-CG 3.44Å; K651-E655 PolarHBondContact O-N 2.98Å; K651-E655 VanDerWaalsContact O-N 3.08Å
652	G	85.9	Confident	87.9	Confident	3 Å²	3	59.1 Å²	59.1	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-68.3	-34.1	178	0	0	0	0	0	112.3	N649 L650 E655 V656	N649-G652 PolarHBondContact O-N 3.38Å; L650-G652 PolarHBondContact O-N 2.84Å; G652-E655 PolarHBondContact O-N 2.73Å; G652-V656 WeakPolarHBondContact O-CG2 3.46Å; G652-V656 PolarHBondContact O-N 3.47Å; G652-V656 VanDerWaalsContact O-N 3.09Å
653	L	88.1	Confident	87.9	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-49.2	173.5	-178.4	61	0	0	0	111.1	L568 L624 I648 N649 L650 K651 E655 V656 L657 F667	L568-L653 HydrophobicContact CD1-CD1 3.67Å; L624-L653 HydrophobicContact CD2-CD2 3.92Å; I648-L653 HydrophobicContact CG2-CB 4.07Å; I648-L653 HydrophobicContact CG2-CD1 4.42Å; N649-L653 WeakPolarHBondContact O-CB 3.3Å; N649-L653 PolarHBondContact O-N 3.39Å; L650-L653 HydrophobicContact CD2-CD2 4.45Å; L650-L653 PolarHBondContact O-N 2.87Å; K651-L653 VanDerWaalsContact C-N 3.33Å; L653-E655 VanDerWaalsContact C-N 3.34Å; L653-E655 PolarHBondContact O-N 3.36Å; L653-V656 PolarHBondContact O-N 3.35Å; L653-V656 VanDerWaalsContact O-N 3.16Å; L653-L657 HydrophobicContact CD1-CD1 4.2Å; L653-L657 HydrophobicContact CD1-CD2 4.42Å; L653-L657 HydrophobicContact CD1-CG 4.12Å; L653-L657 HydrophobicContact CG-CD1 3.99Å; L653-L657 HydrophobicContact CG-CG 4.28Å; L653-L657 VanDerWaalsContact O-CG 3.26Å; L653-L657 WeakPolarHBondContact O-CG 3.34Å; L653-L657 PolarHBondContact O-N 3.27Å; L653-F667 HydrophobicContact CD1-CE1 4.28Å; L653-F667 HydrophobicContact CD1-CZ 4.12Å; L653-F667 HydrophobicContact CD2-CE1 3.88Å; L653-F667 HydrophobicContact CD2-CZ 3.95Å; L653-F667 HydrophobicContact CG-CE1 4.43Å
654	Y	86.6	Confident	87.8	Confident	63 Å²	63	54 Å²	54	25%	0.247	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-42.9	177.1	-73.2	-59.4	0	0	0	112.1	L624 S625 L650 K651 V656 L657 D658	L624-Y654 HydrophobicContact CD2-CE1 3.97Å; S625-Y654 PolarHBondContact O-OH 3.05Å; L650-Y654 HydrophobicContact CB-CD2 4.37Å; L650-Y654 HydrophobicContact CB-CE2 4.12Å; L650-Y654 WeakPolarHBondContact O-CD2 3.41Å; L650-Y654 PolarHBondContact O-N 3.01Å; K651-Y654 PolarHBondContact O-N 2.79Å; Y654-V656 VanDerWaalsContact C-N 3.31Å; Y654-V656 PolarHBondContact O-N 3.2Å; Y654-L657 PolarHBondContact O-N 3.13Å; Y654-D658 WeakPolarHBondContact O-CB 3.32Å; Y654-D658 VanDerWaalsContact O-CG 3.31Å; Y654-D658 PolarHBondContact O-N 3.15Å
655	E	88.4	Confident	87.7	Confident	114 Å²	114	57.2 Å²	57.2	53%	0.533	28%	0.28	S	S	.	.	H	α-helix	trans	-57.3	-42.7	175	-72.7	168.9	-166.6	0	0	112.2	K651 G652 L653 L659	K651-E655 WeakPolarHBondContact O-CG 3.44Å; K651-E655 PolarHBondContact O-N 2.98Å; K651-E655 VanDerWaalsContact O-N 3.08Å; G652-E655 PolarHBondContact O-N 2.73Å; L653-E655 VanDerWaalsContact C-N 3.34Å; L653-E655 PolarHBondContact O-N 3.36Å; E655-L659 WeakPolarHBondContact O-CD1 3.36Å; E655-L659 WeakPolarHBondContact O-CG 3.36Å; E655-L659 PolarHBondContact O-N 3.46Å
656	V	89.6	Confident	87.5	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-70.4	-40	177.1	175.3	0	0	0	0	111.6	L568 G652 L653 Y654 D658 L659 Y660	L568-V656 HydrophobicContact CB-CG1 4.47Å; G652-V656 WeakPolarHBondContact O-CG2 3.46Å; G652-V656 PolarHBondContact O-N 3.47Å; G652-V656 VanDerWaalsContact O-N 3.09Å; L653-V656 PolarHBondContact O-N 3.35Å; L653-V656 VanDerWaalsContact O-N 3.16Å; Y654-V656 VanDerWaalsContact C-N 3.31Å; Y654-V656 PolarHBondContact O-N 3.2Å; V656-D658 VanDerWaalsContact C-N 3.31Å; V656-D658 PolarHBondContact O-N 3.47Å; V656-L659 WeakPolarHBondContact O-CB 3.41Å; V656-L659 PolarHBondContact O-N 3.11Å; V656-Y660 HydrophobicContact CG1-CD2 4.11Å; V656-Y660 WeakPolarHBondContact O-CD2 3.19Å; V656-Y660 PolarHBondContact O-N 2.83Å; V656-Y660 VanDerWaalsContact O-N 3.13Å
657	L	87.7	Confident	87.3	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.037	30%	0.3	C	S	.	.	H	α-helix	trans	-67.3	-32.9	178	-65.8	-178.9	0	0	0	112	L653 Y654 L659 Y660 Y663 F667	L653-L657 HydrophobicContact CD1-CD1 4.2Å; L653-L657 HydrophobicContact CD1-CD2 4.42Å; L653-L657 HydrophobicContact CD1-CG 4.12Å; L653-L657 HydrophobicContact CG-CD1 3.99Å; L653-L657 HydrophobicContact CG-CG 4.28Å; L653-L657 VanDerWaalsContact O-CG 3.26Å; L653-L657 WeakPolarHBondContact O-CG 3.34Å; L653-L657 PolarHBondContact O-N 3.27Å; Y654-L657 PolarHBondContact O-N 3.13Å; L657-L659 VanDerWaalsContact C-N 3.34Å; L657-Y660 CarbonylContact O-C 3.47Å; L657-Y660 PolarHBondContact O-N 3.2Å; L657-Y663 HydrophobicContact CD2-CD1 3.97Å; L657-Y663 HydrophobicContact CD2-CE1 4.2Å; L657-F667 HydrophobicContact CD1-CD1 3.77Å; L657-F667 HydrophobicContact CD1-CE1 4.09Å; L657-F667 HydrophobicContact CD2-CB 4.24Å; L657-F667 HydrophobicContact CD2-CD1 4.14Å; L657-F667 HydrophobicContact CD2-CG 4.18Å
658	D	88.6	Confident	87	Confident	122 Å²	122	62 Å²	62	65%	0.652	30%	0.302	S	S	*	.	H	α-helix	trans	-66.9	-34.6	173.3	-75.5	-15.5	0	0	0	112.1	Y654 V656 Y660	Y654-D658 WeakPolarHBondContact O-CB 3.32Å; Y654-D658 VanDerWaalsContact O-CG 3.31Å; Y654-D658 PolarHBondContact O-N 3.15Å; V656-D658 VanDerWaalsContact C-N 3.31Å; V656-D658 PolarHBondContact O-N 3.47Å; D658-Y660 VanDerWaalsContact C-N 3.34Å
659	L	89.8	Confident	86.6	Confident	125 Å²	125	67 Å²	67	65%	0.654	33%	0.326	S	S	*	.	H	α-helix	trans	-70.7	-28.6	174.1	-77.5	155.3	0	0	0	112.8	E655 V656 L657 P661	E655-L659 WeakPolarHBondContact O-CD1 3.36Å; E655-L659 WeakPolarHBondContact O-CG 3.36Å; E655-L659 PolarHBondContact O-N 3.46Å; V656-L659 WeakPolarHBondContact O-CB 3.41Å; V656-L659 PolarHBondContact O-N 3.11Å; L657-L659 VanDerWaalsContact C-N 3.34Å; L659-P661 WeakPolarHBondContact O-CD 3.45Å
660	Y	90.3	Very high	86.3	Confident	71 Å²	71	65.7 Å²	65.7	28%	0.278	32%	0.319	S	S	.	.			trans	-125.2	72	-176.9	-63.9	-79	0	0	0	111.8	G563 C564 V656 L657 D658 E662 Y663 S664	G563-Y660 VanDerWaalsContact C-OH 3.28Å; G563-Y660 PolarHBondContact O-OH 3Å; C564-Y660 HydrophobicContact CB-CD1 4.2Å; C564-Y660 HydrophobicContact CB-CD2 3.83Å; C564-Y660 HydrophobicContact CB-CE1 4.31Å; C564-Y660 HydrophobicContact CB-CE2 3.95Å; C564-Y660 HydrophobicContact CB-CG 3.97Å; V656-Y660 HydrophobicContact CG1-CD2 4.11Å; V656-Y660 WeakPolarHBondContact O-CD2 3.19Å; V656-Y660 PolarHBondContact O-N 2.83Å; V656-Y660 VanDerWaalsContact O-N 3.13Å; L657-Y660 CarbonylContact O-C 3.47Å; L657-Y660 PolarHBondContact O-N 3.2Å; D658-Y660 VanDerWaalsContact C-N 3.34Å; Y660-E662 VanDerWaalsContact C-N 3.28Å; Y660-E662 PolarHBondContact O-N 3.34Å; Y660-Y663 PolarHBondContact O-N 3.39Å; Y660-Y663 VanDerWaalsContact O-N 3.08Å; Y660-S664 PolarHBondContact O-N 3.08Å
661	P	86.4	Confident	86.1	Confident	76 Å²	76	65 Å²	65	49%	0.494	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-32.5	-174	25	-35	0	0	0	113.2	L659 Y663 S664 H665	L659-P661 WeakPolarHBondContact O-CD 3.45Å; P661-Y663 VanDerWaalsContact C-N 3.32Å; P661-Y663 PolarHBondContact O-N 3.5Å; P661-S664 WeakPolarHBondContact O-CB 3.47Å; P661-S664 PolarHBondContact O-N 3.03Å; P661-H665 PolarHBondContact O-CD2 3.22Å; P661-H665 VanDerWaalsContact O-CD2 3.23Å; P661-H665 PolarHBondContact O-N 3Å
662	E	86.1	Confident	85.6	Confident	169 Å²	169	62.6 Å²	62.6	79%	0.79	31%	0.306	S	S	*	.	H	α-helix	trans	-59.7	-43.8	175.4	-63.9	-177	176.1	0	0	111.4	Y660 H666	Y660-E662 VanDerWaalsContact C-N 3.28Å; Y660-E662 PolarHBondContact O-N 3.34Å; E662-H666 PolarHBondContact O-CD2 3.14Å
663	Y	86.7	Confident	85.1	Confident	15 Å²	15	69.1 Å²	69.1	6%	0.059	34%	0.336	C	S	.	.	H	α-helix	trans	-75.1	-33.2	178.3	-179.3	-113.6	0	0	0	112.1	L556 F557 S559 A560 C564 L657 Y660 P661 H665 H666 F667	L556-Y663 PolarHBondContact O-OH 3.44Å; F557-Y663 WeakPolarHBondContact CD1-OH 3.38Å; S559-Y663 WeakPolarHBondContact OG-CE2 3.26Å; A560-Y663 HydrophobicContact CB-CD2 3.92Å; A560-Y663 HydrophobicContact CB-CE1 4.15Å; A560-Y663 HydrophobicContact CB-CE2 3.53Å; A560-Y663 HydrophobicContact CB-CG 4.4Å; C564-Y663 VanDerWaalsContact SG-CD1 3.52Å; L657-Y663 HydrophobicContact CD2-CD1 3.97Å; L657-Y663 HydrophobicContact CD2-CE1 4.2Å; Y660-Y663 PolarHBondContact O-N 3.39Å; Y660-Y663 VanDerWaalsContact O-N 3.08Å; P661-Y663 VanDerWaalsContact C-N 3.32Å; P661-Y663 PolarHBondContact O-N 3.5Å; Y663-H665 VanDerWaalsContact C-N 3.34Å; Y663-H665 PolarHBondContact O-N 3.5Å; Y663-H666 PolarHBondContact O-N 2.94Å; Y663-H666 VanDerWaalsContact O-N 3.15Å; Y663-F667 HydrophobicContact CD1-CB 4.4Å; Y663-F667 HydrophobicContact CE1-CB 4.04Å; Y663-F667 AromaticContact CE1-CD2 3.95Å; Y663-F667 HydrophobicContact CE1-CD2 3.95Å; Y663-F667 HydrophobicContact CE1-CG 4.26Å; Y663-F667 AromaticContact CZ-CD2 3.86Å; Y663-F667 WeakPolarHBondContact O-CB 3.36Å; Y663-F667 PolarHBondContact O-N 3.27Å; Y663-F667 WeakPolarHBondContact OH-CD2 3.29Å
664	S	85.2	Confident	84.6	Confident	12 Å²	12	71.8 Å²	71.8	8%	0.084	35%	0.35	C	S	.	.	H	α-helix	trans	-53.7	-46.1	179.1	-175.9	0	0	0	0	113.6	Y660 P661 H666 F667 V668	Y660-S664 PolarHBondContact O-N 3.08Å; P661-S664 WeakPolarHBondContact O-CB 3.47Å; P661-S664 PolarHBondContact O-N 3.03Å; S664-H666 PolarHBondContact O-N 3.46Å; S664-F667 PolarHBondContact O-N 3.43Å; S664-V668 WeakPolarHBondContact O-CG2 3.38Å; S664-V668 PolarHBondContact O-N 3.15Å
665	H	83.6	Confident	84.3	Confident	144 Å²	144	70.1 Å²	70.1	67%	0.667	35%	0.345	S	S	*	.	H	α-helix	trans	-63.9	-41.5	178.4	-70.3	-67.5	0	0	0	112.9	P661 Y663 Q669	P661-H665 PolarHBondContact O-CD2 3.22Å; P661-H665 VanDerWaalsContact O-CD2 3.23Å; P661-H665 PolarHBondContact O-N 3Å; Y663-H665 VanDerWaalsContact C-N 3.34Å; Y663-H665 PolarHBondContact O-N 3.5Å; H665-Q669 PolarHBondContact O-N 3.41Å
666	H	84.8	Confident	83.8	Confident	105 Å²	105	68 Å²	68	49%	0.486	34%	0.34	S	S	.	.	H	α-helix	trans	-65.9	-46.1	175.7	-77.6	-71.8	0	0	0	111.4	E662 Y663 S664 V668 Q669 D670	E662-H666 PolarHBondContact O-CD2 3.14Å; Y663-H666 PolarHBondContact O-N 2.94Å; Y663-H666 VanDerWaalsContact O-N 3.15Å; S664-H666 PolarHBondContact O-N 3.46Å; H666-V668 VanDerWaalsContact C-N 3.34Å; H666-V668 PolarHBondContact O-N 3.19Å; H666-Q669 PolarHBondContact O-N 3.05Å; H666-Q669 VanDerWaalsContact O-N 3.08Å; H666-D670 WeakPolarHBondContact O-CB 3.32Å; H666-D670 VanDerWaalsContact O-CG 3.24Å; H666-D670 PolarHBondContact O-N 3.19Å
667	F	85.6	Confident	83.3	Confident	4 Å²	4	70 Å²	70	2%	0.018	35%	0.348	C	S	.	.	H	α-helix	trans	-59	-41.7	179.6	-177.7	-97.2	0	0	0	112.8	L556 F557 L624 L653 L657 Y663 S664 Q669 D670 I671	L556-F667 HydrophobicContact CD1-CD2 3.86Å; L556-F667 HydrophobicContact CD1-CE2 3.81Å; L556-F667 HydrophobicContact CD2-CD2 4.43Å; L556-F667 HydrophobicContact CD2-CE2 3.61Å; L556-F667 HydrophobicContact CD2-CZ 4.19Å; L556-F667 HydrophobicContact CG-CD2 3.94Å; L556-F667 HydrophobicContact CG-CE2 3.61Å; F557-F667 HydrophobicContact CE1-CD2 4.35Å; F557-F667 AromaticContact CE1-CE2 3.7Å; F557-F667 HydrophobicContact CE1-CE2 3.7Å; F557-F667 HydrophobicContact CZ-CE2 4.15Å; L624-F667 HydrophobicContact CD1-CE1 4.04Å; L653-F667 HydrophobicContact CD1-CE1 4.28Å; L653-F667 HydrophobicContact CD1-CZ 4.12Å; L653-F667 HydrophobicContact CD2-CE1 3.88Å; L653-F667 HydrophobicContact CD2-CZ 3.95Å; L653-F667 HydrophobicContact CG-CE1 4.43Å; L657-F667 HydrophobicContact CD1-CD1 3.77Å; L657-F667 HydrophobicContact CD1-CE1 4.09Å; L657-F667 HydrophobicContact CD2-CB 4.24Å; L657-F667 HydrophobicContact CD2-CD1 4.14Å; L657-F667 HydrophobicContact CD2-CG 4.18Å; Y663-F667 HydrophobicContact CD1-CB 4.4Å; Y663-F667 HydrophobicContact CE1-CB 4.04Å; Y663-F667 AromaticContact CE1-CD2 3.95Å; Y663-F667 HydrophobicContact CE1-CD2 3.95Å; Y663-F667 HydrophobicContact CE1-CG 4.26Å; Y663-F667 AromaticContact CZ-CD2 3.86Å; Y663-F667 WeakPolarHBondContact O-CB 3.36Å; Y663-F667 PolarHBondContact O-N 3.27Å; Y663-F667 WeakPolarHBondContact OH-CD2 3.29Å; S664-F667 PolarHBondContact O-N 3.43Å; F667-Q669 VanDerWaalsContact C-N 3.3Å; F667-Q669 PolarHBondContact O-N 2.94Å; F667-D670 PolarHBondContact O-N 3.44Å; F667-I671 HydrophobicContact CE1-CD1 3.83Å; F667-I671 HydrophobicContact CZ-CD1 3.66Å; F667-I671 WeakPolarHBondContact O-CB 3.31Å; F667-I671 VanDerWaalsContact O-CG2 3.26Å; F667-I671 WeakPolarHBondContact O-CG2 3.49Å; F667-I671 PolarHBondContact O-N 3.45Å
668	V	82.6	Confident	83	Confident	29 Å²	29	71.2 Å²	71.2	18%	0.176	35%	0.354	C	S	.	.	H	α-helix	trans	-66.2	-32	177.7	172.7	0	0	0	0	112.1	S664 H666 I671 Q672	S664-V668 WeakPolarHBondContact O-CG2 3.38Å; S664-V668 PolarHBondContact O-N 3.15Å; H666-V668 VanDerWaalsContact C-N 3.34Å; H666-V668 PolarHBondContact O-N 3.19Å; V668-I671 WeakPolarHBondContact O-CG2 3.5Å; V668-Q672 VanDerWaalsContact O-CG 3.3Å; V668-Q672 WeakPolarHBondContact O-CG 3.43Å
669	Q	81.9	Confident	82.6	Confident	109 Å²	109	65.5 Å²	65.5	51%	0.509	32%	0.324	S	S	.	.	H	α-helix	trans	-75.5	-43.9	175.8	-176.2	176.6	-14.9	0	0	111.4	H665 H666 F667 Q672	H665-Q669 PolarHBondContact O-N 3.41Å; H666-Q669 PolarHBondContact O-N 3.05Å; H666-Q669 VanDerWaalsContact O-N 3.08Å; F667-Q669 VanDerWaalsContact C-N 3.3Å; F667-Q669 PolarHBondContact O-N 2.94Å; Q669-Q672 WeakPolarHBondContact O-CB 3.23Å; Q669-Q672 PolarHBondContact O-N 3.1Å
670	D	82.6	Confident	81.8	Confident	36 Å²	36	63.7 Å²	63.7	19%	0.193	31%	0.308	C	S	.	.	H	α-helix	trans	-70	-40	-176.6	-65.1	-15.4	0	0	0	110.9	L556 H666 F667 Q672 Q673 D674	L556-D670 HydrophobicContact CD1-CB 3.76Å; H666-D670 WeakPolarHBondContact O-CB 3.32Å; H666-D670 VanDerWaalsContact O-CG 3.24Å; H666-D670 PolarHBondContact O-N 3.19Å; F667-D670 PolarHBondContact O-N 3.44Å; D670-Q672 PolarHBondContact O-N 3.34Å; D670-Q673 PolarHBondContact O-N 3.33Å; D670-D674 PolarHBondContact O-N 3.25Å
671	I	82.4	Confident	80.7	Confident	1 Å²	1	67 Å²	67	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-29	177.1	-162.6	143.1	0	0	0	112.7	L556 L619 L624 F667 V668 Q673 L675	L556-I671 HydrophobicContact CD1-CB 3.99Å; L556-I671 HydrophobicContact CD2-CD1 4.48Å; L619-I671 HydrophobicContact CD2-CD1 4.11Å; L619-I671 HydrophobicContact CD2-CG1 3.89Å; L624-I671 HydrophobicContact CD1-CD1 3.34Å; L624-I671 HydrophobicContact CD1-CG1 4.03Å; L624-I671 HydrophobicContact CD1-CG2 3.96Å; F667-I671 HydrophobicContact CE1-CD1 3.83Å; F667-I671 HydrophobicContact CZ-CD1 3.66Å; F667-I671 WeakPolarHBondContact O-CB 3.31Å; F667-I671 VanDerWaalsContact O-CG2 3.26Å; F667-I671 WeakPolarHBondContact O-CG2 3.49Å; F667-I671 PolarHBondContact O-N 3.45Å; V668-I671 WeakPolarHBondContact O-CG2 3.5Å; I671-Q673 VanDerWaalsContact C-N 3.27Å; I671-Q673 PolarHBondContact O-N 3.34Å; I671-L675 HydrophobicContact CG1-CD1 4.24Å; I671-L675 HydrophobicContact CG1-CG 4.13Å; I671-L675 WeakPolarHBondContact O-CB 3.37Å; I671-L675 WeakPolarHBondContact O-CD1 3.3Å; I671-L675 WeakPolarHBondContact O-CG 3.5Å; I671-L675 PolarHBondContact O-N 2.62Å
672	Q	75.9	Confident	79.1	Confident	104 Å²	104	64.3 Å²	64.3	49%	0.486	31%	0.312	S	S	.	.	H	α-helix	trans	-68.2	-29.7	175.5	-75.1	177.5	5.8	0	0	112.7	N623 V668 Q669 D670	N623-Q672 VanDerWaalsContact CG-CG 3.46Å; N623-Q672 WeakPolarHBondContact ND2-CG 3.46Å; N623-Q672 PolarHBondContact ND2-NE2 3.12Å; N623-Q672 WeakPolarHBondContact OD1-CG 3.44Å; N623-Q672 PolarHBondContact OD1-NE2 3.31Å; V668-Q672 VanDerWaalsContact O-CG 3.3Å; V668-Q672 WeakPolarHBondContact O-CG 3.43Å; Q669-Q672 WeakPolarHBondContact O-CB 3.23Å; Q669-Q672 PolarHBondContact O-N 3.1Å; D670-Q672 PolarHBondContact O-N 3.34Å
673	Q	74.7	Confident	77.4	Confident	139 Å²	139	60.2 Å²	60.2	65%	0.65	29%	0.293	S	S	*	.	H	α-helix	trans	-89	-35.5	-178.1	-62.6	-176.8	-2.1	0	0	111.6	D670 I671	D670-Q673 PolarHBondContact O-N 3.33Å; I671-Q673 VanDerWaalsContact C-N 3.27Å; I671-Q673 PolarHBondContact O-N 3.34Å
674	D	76.9	Confident	75.5	Confident	60 Å²	60	64.8 Å²	64.8	32%	0.321	32%	0.315	S	S	.	.	H	α-helix	trans	-92.8	-3.4	-174.5	-72.2	-7.9	0	0	0	113.8	S555 D670 T676	S555-D674 PolarHBondContact OG-OD2 2.74Å; D670-D674 PolarHBondContact O-N 3.25Å; D674-T676 PolarHBondContact O-N 3.43Å; D674-T676 VanDerWaalsContact O-N 3.15Å
675	L	80.1	Confident	73.6	Confident	27 Å²	27	68.1 Å²	68.1	14%	0.141	34%	0.335	C	S	.	.			trans	-66.1	110.7	174.6	-91.9	163.2	0	0	0	111.1	L619 N623 I671	L619-L675 HydrophobicContact CD2-CD2 4.23Å; L619-L675 HydrophobicContact CD2-CG 4.27Å; L619-L675 HydrophobicContact CG-CD2 4.12Å; N623-L675 HydrophobicContact CB-CD1 4.47Å; I671-L675 HydrophobicContact CG1-CD1 4.24Å; I671-L675 HydrophobicContact CG1-CG 4.13Å; I671-L675 WeakPolarHBondContact O-CB 3.37Å; I671-L675 WeakPolarHBondContact O-CD1 3.3Å; I671-L675 WeakPolarHBondContact O-CG 3.5Å; I671-L675 PolarHBondContact O-N 2.62Å
676	T	79.4	Confident	71.6	Confident	69 Å²	69	67 Å²	67	42%	0.423	33%	0.33	S	S	.	.	S	Bend	trans	-68.7	-37.3	177.1	-41.5	0	0	0	0	111.9	L613 D618 L619 D674	L613-T676 HydrophobicContact CD2-CG2 3.51Å; D618-T676 HydrophobicContact CB-CG2 4.37Å; L619-T676 PolarHBondContact N-OG1 3.13Å; L619-T676 PolarHBondContact O-N 3.23Å; D674-T676 PolarHBondContact O-N 3.43Å; D674-T676 VanDerWaalsContact O-N 3.15Å
677	Y	78.3	Confident	69.7	Low	46 Å²	46	66.3 Å²	66.3	18%	0.18	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	122.7	172.4	-168.4	-89.8	0	0	0	111.3	V603 L610 A611 A635 L679	V603-Y677 HydrophobicContact CG1-CD1 4.02Å; V603-Y677 HydrophobicContact CG1-CE1 3.65Å; V603-Y677 HydrophobicContact CG1-CE2 4.33Å; V603-Y677 HydrophobicContact CG2-CD1 4.44Å; V603-Y677 HydrophobicContact CG2-CG 4.4Å; L610-Y677 HydrophobicContact CB-CE2 4.29Å; L610-Y677 WeakPolarHBondContact CD1-OH 3.46Å; A611-Y677 HydrophobicContact CB-CD2 3.83Å; A611-Y677 HydrophobicContact CB-CE2 4.25Å; A635-Y677 HydrophobicContact CB-CE1 4.3Å; Y677-L679 HydrophobicContact CD1-CD2 3.94Å; Y677-L679 HydrophobicContact CD1-CG 4.28Å; Y677-L679 HydrophobicContact CE1-CD2 3.99Å; Y677-L679 PolarHBondContact O-N 2.89Å
678	N	82.1	Confident	67.6	Low	33 Å²	33	73 Å²	73	18%	0.176	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	103.7	-179.8	-175.4	-0.5	0	0	0	111.1	R680 E681	N678-R680 PolarHBondContact O-N 3.44Å; N678-R680 WeakPolarHBondContact OD1-CB 3.12Å; N678-R680 PolarHBondContact OD1-N 2.92Å; N678-R680 VanDerWaalsContact OD1-N 3.15Å; N678-E681 HydrophobicContact CB-CB 4.05Å; N678-E681 WeakPolarHBondContact O-CB 3.18Å; N678-E681 PolarHBondContact O-N 3.26Å
679	L	78.6	Confident	65.5	Low	1 Å²	1	75.1 Å²	75.1	1%	0.005	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-9.3	-178.7	-70.2	169.1	0	0	0	114.3	L584 L590 I620 G621 T633 N634 A635 V637 Y677	L584-L679 HydrophobicContact CD1-CD1 3.65Å; L590-L679 HydrophobicContact CD1-CD1 4.1Å; I620-L679 HydrophobicContact CG2-CD1 3.69Å; I620-L679 HydrophobicContact CG2-CG 4.35Å; G621-L679 PolarHBondContact O-N 2.83Å; T633-L679 HydrophobicContact CG2-CD1 4.27Å; N634-L679 VanDerWaalsContact CB-O 3.29Å; N634-L679 WeakPolarHBondContact CB-O 3.24Å; N634-L679 PolarHBondContact N-O 3.47Å; A635-L679 HydrophobicContact CB-CD2 4.31Å; V637-L679 HydrophobicContact CG2-CD2 3.95Å; Y677-L679 HydrophobicContact CD1-CD2 3.94Å; Y677-L679 HydrophobicContact CD1-CG 4.28Å; Y677-L679 HydrophobicContact CE1-CD2 3.99Å; Y677-L679 PolarHBondContact O-N 2.89Å
680	R	74.3	Confident	63.7	Low	88 Å²	88	79.7 Å²	79.7	33%	0.332	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-22	174.6	-176.8	176.3	173.2	175.7	-1.3	112.7	A622 I631 N678 G682 H683 E684	A622-R680 HydrophobicContact CB-CB 3.96Å; I631-R680 HydrophobicContact CG2-CB 4.35Å; N678-R680 PolarHBondContact O-N 3.44Å; N678-R680 WeakPolarHBondContact OD1-CB 3.12Å; N678-R680 PolarHBondContact OD1-N 2.92Å; N678-R680 VanDerWaalsContact OD1-N 3.15Å; R680-G682 PolarHBondContact O-N 2.89Å; R680-H683 PolarHBondContact O-N 3.22Å; R680-E684 IonicContact NH2-OE1 3.22Å
681	E	65.8	Low	62	Low	139 Å²	139	83.7 Å²	83.7	65%	0.65	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	126.1	-173.5	-158.7	163.3	-172.1	0	0	110.4	N634 N678	N634-E681 PolarHBondContact ND2-O 3.02Å; N678-E681 HydrophobicContact CB-CB 4.05Å; N678-E681 WeakPolarHBondContact O-CB 3.18Å; N678-E681 PolarHBondContact O-N 3.26Å
682	G	53.5	Low	60	Low	20 Å²	20	86.3 Å²	86.3	21%	0.206	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	0.2	-173.4	0	0	0	0	0	116.2	N634 R680 T685	N634-G682 WeakPolarHBondContact ND2-CA 3.23Å; R680-G682 PolarHBondContact O-N 2.89Å; G682-T685 PolarHBondContact O-OG1 2.91Å; G682-T685 VanDerWaalsContact O-OG1 3.06Å
683	H	51.3	Low	58.4	Low	83 Å²	83	85 Å²	85	38%	0.384	43%	0.425	S	S	.	.	H	α-helix	trans	-83.4	-27.1	165.9	-136.8	29.6	0	0	0	111.8	R680	R680-H683 PolarHBondContact O-N 3.22Å
684	E	46.9	Very low	56.8	Low	111 Å²	111	81.7 Å²	81.7	52%	0.519	42%	0.422	S	S	.	.	H	α-helix	trans	-73.7	-25.8	178	-62.4	-148.6	168.4	0	0	114	R680 K688	R680-E684 IonicContact NH2-OE1 3.22Å; E684-K688 PolarHBondContact O-N 2.92Å
685	T	43.8	Very low	55.1	Low	83 Å²	83	81.9 Å²	81.9	51%	0.509	43%	0.432	S	S	.	.	H	α-helix	trans	-66.7	-45.7	175.1	47.3	0	0	0	0	110.3	G682 V687 K688 T689	G682-T685 PolarHBondContact O-OG1 2.91Å; G682-T685 VanDerWaalsContact O-OG1 3.06Å; T685-V687 VanDerWaalsContact C-N 3.32Å; T685-V687 PolarHBondContact O-N 3.48Å; T685-K688 CarbonylContact O-C 3.55Å; T685-K688 PolarHBondContact O-N 3.24Å; T685-T689 PolarHBondContact O-N 3.44Å; T685-T689 PolarHBondContact O-OG1 2.84Å
686	H	42	Very low	53	Low	121 Å²	121	88.3 Å²	88.3	56%	0.56	46%	0.461	S	S	*	.	H	α-helix	trans	-62.9	-32.9	177.6	-96.1	-83.5	0	0	0	114.3	R690	H686-R690 PolarHBondContact O-N 3.07Å; H686-R690 VanDerWaalsContact O-N 3.1Å
687	V	44.8	Very low	50.9	Low	89 Å²	89	93.3 Å²	93.3	54%	0.539	48%	0.48	S	S	.	.	H	α-helix	trans	-72.6	-42.4	175	177.3	0	0	0	0	110.7	T685 R690 L691	T685-V687 VanDerWaalsContact C-N 3.32Å; T685-V687 PolarHBondContact O-N 3.48Å; V687-R690 PolarHBondContact O-N 3.04Å; V687-L691 HydrophobicContact CG1-CD1 3.91Å; V687-L691 WeakPolarHBondContact O-CD1 3.44Å; V687-L691 WeakPolarHBondContact O-CG 3.09Å; V687-L691 PolarHBondContact O-N 3.49Å; V687-L691 VanDerWaalsContact O-N 3.08Å
688	K	41.5	Very low	48.9	Very low	144 Å²	144	95.3 Å²	95.3	63%	0.626	50%	0.5	S	S	*	.	H	α-helix	trans	-65.3	-36.8	173.4	-82.2	176.5	177.6	168.3	0	112.5	E684 T685 L691 S692	E684-K688 PolarHBondContact O-N 2.92Å; T685-K688 CarbonylContact O-C 3.55Å; T685-K688 PolarHBondContact O-N 3.24Å; K688-L691 PolarHBondContact O-N 3.34Å; K688-S692 WeakPolarHBondContact O-CB 3.44Å; K688-S692 PolarHBondContact O-N 3.43Å; K688-S692 PolarHBondContact O-OG 3.05Å; K688-S692 VanDerWaalsContact O-OG 3.1Å
689	T	39.5	Very low	46.7	Very low	74 Å²	74	102.2 Å²	102.2	45%	0.454	53%	0.532	S	S	.	.	H	α-helix	trans	-68	-41.8	177	-42.1	0	0	0	0	111.2	T685 L691 S692 T693	T685-T689 PolarHBondContact O-N 3.44Å; T685-T689 PolarHBondContact O-OG1 2.84Å; T689-L691 VanDerWaalsContact C-N 3.32Å; T689-L691 PolarHBondContact O-N 3.07Å; T689-S692 WeakPolarHBondContact CA-OG 3.05Å; T689-S692 PolarHBondContact O-N 2.95Å; T689-S692 PolarHBondContact O-OG 2.82Å; T689-S692 VanDerWaalsContact O-OG 3.08Å; T689-T693 WeakPolarHBondContact O-CB 3.28Å; T689-T693 PolarHBondContact O-N 3.25Å; T689-T693 PolarHBondContact O-OG1 3.38Å
690	R	43.6	Very low	44.4	Very low	206 Å²	206	108.3 Å²	108.3	78%	0.777	57%	0.574	S	S	*	*	H	α-helix	trans	-64.6	-34.5	173.9	-78.1	-172.3	177.4	-171.4	0.8	113	H686 V687 A694	H686-R690 PolarHBondContact O-N 3.07Å; H686-R690 VanDerWaalsContact O-N 3.1Å; V687-R690 PolarHBondContact O-N 3.04Å; R690-A694 PolarHBondContact O-N 3.01Å
691	L	46	Very low	42.1	Very low	120 Å²	120	108 Å²	108	63%	0.628	60%	0.599	S	S	*	*	H	α-helix	trans	-75.7	-33.5	175.2	-76.8	157.9	0	0	0	112.8	V687 K688 T689 A695	V687-L691 HydrophobicContact CG1-CD1 3.91Å; V687-L691 WeakPolarHBondContact O-CD1 3.44Å; V687-L691 WeakPolarHBondContact O-CG 3.09Å; V687-L691 PolarHBondContact O-N 3.49Å; V687-L691 VanDerWaalsContact O-N 3.08Å; K688-L691 PolarHBondContact O-N 3.34Å; T689-L691 VanDerWaalsContact C-N 3.32Å; T689-L691 PolarHBondContact O-N 3.07Å; L691-A695 PolarHBondContact O-N 3.3Å
692	S	41.6	Very low	40.5	Very low	55 Å²	55	108 Å²	108	39%	0.385	61%	0.608	S	S	.	*	H	α-helix	trans	-76.8	-36.3	177.6	64.8	0	0	0	0	112.6	K688 T689 A694 A695 Q696	K688-S692 WeakPolarHBondContact O-CB 3.44Å; K688-S692 PolarHBondContact O-N 3.43Å; K688-S692 PolarHBondContact O-OG 3.05Å; K688-S692 VanDerWaalsContact O-OG 3.1Å; T689-S692 WeakPolarHBondContact CA-OG 3.05Å; T689-S692 PolarHBondContact O-N 2.95Å; T689-S692 PolarHBondContact O-OG 2.82Å; T689-S692 VanDerWaalsContact O-OG 3.08Å; S692-A694 VanDerWaalsContact C-N 3.35Å; S692-A695 PolarHBondContact O-N 3.21Å; S692-A695 VanDerWaalsContact O-N 3.17Å; S692-Q696 PolarHBondContact O-N 3.5Å
693	T	41.6	Very low	39.3	Very low	76 Å²	76	118 Å²	118	47%	0.466	64%	0.64	S	S	.	*	H	α-helix	trans	-67.5	-36.3	175.5	-48.8	0	0	0	0	111.3	T689 A695 Q696	T689-T693 WeakPolarHBondContact O-CB 3.28Å; T689-T693 PolarHBondContact O-N 3.25Å; T689-T693 PolarHBondContact O-OG1 3.38Å; T693-A695 VanDerWaalsContact C-N 3.28Å; T693-A695 PolarHBondContact O-N 3.01Å; T693-Q696 PolarHBondContact O-N 3.22Å
694	A	42	Very low	38.1	Very low	71 Å²	71	124.6 Å²	124.6	59%	0.587	66%	0.661	S	S	*	*	H	α-helix	trans	-67.6	-25.9	172.1	0	0	0	0	0	113.3	R690 S692	R690-A694 PolarHBondContact O-N 3.01Å; S692-A694 VanDerWaalsContact C-N 3.35Å
695	A	40.5	Very low	37.2	Very low	63 Å²	63	126.5 Å²	126.5	52%	0.521	68%	0.675	S	S	.	*	H	α-helix	trans	-83.1	-28.6	176.2	0	0	0	0	0	113	L691 S692 T693 S698	L691-A695 PolarHBondContact O-N 3.3Å; S692-A695 PolarHBondContact O-N 3.21Å; S692-A695 VanDerWaalsContact O-N 3.17Å; T693-A695 VanDerWaalsContact C-N 3.28Å; T693-A695 PolarHBondContact O-N 3.01Å; A695-S698 PolarHBondContact O-OG 3.35Å
696	Q	36.2	Very low	36.4	Very low	163 Å²	163	126.2 Å²	126.2	76%	0.762	69%	0.688	S	S	*	*	H	α-helix	trans	-83.9	-15.4	-175.4	-124.3	170.6	-28.1	0	0	114.8	S692 T693 S698	S692-Q696 PolarHBondContact O-N 3.5Å; T693-Q696 PolarHBondContact O-N 3.22Å; Q696-S698 VanDerWaalsContact C-N 3.3Å; Q696-S698 PolarHBondContact O-N 3.31Å
697	E	34.8	Very low	35.6	Very low	174 Å²	174	132.5 Å²	132.5	81%	0.813	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-0.5	173.8	-79.1	-175.7	159.5	0	0	114.1
698	S	36.7	Very low	35.2	Very low	87 Å²	87	134.9 Å²	134.9	61%	0.608	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	3.5	-173.7	67	0	0	0	0	116.2	A695 Q696	A695-S698 PolarHBondContact O-OG 3.35Å; Q696-S698 VanDerWaalsContact C-N 3.3Å; Q696-S698 PolarHBondContact O-N 3.31Å
699	Q	36.8	Very low	34.5	Very low	179 Å²	179	133.3 Å²	133.3	84%	0.836	72%	0.724	S	S	*	*	S	Bend	trans	-145.5	72.1	178	-69.1	-171.5	4.2	0	0	114.3
700	S	28.6	Very low	34	Very low	128 Å²	128	138.8 Å²	138.8	90%	0.895	74%	0.744	S	S	*	*			trans	-162.8	124.3	143.4	60.2	0	0	0	0	110.8
701	G	27.6	Very low	33	Very low	82 Å²	82	132.6 Å²	132.6	85%	0.845	75%	0.745	S	S	*	*			trans	129.8	75.3	167.2	0	0	0	0	0	116.7
702	V	30.6	Very low	32.6	Very low	140 Å²	140	135.1 Å²	135.1	85%	0.848	75%	0.753	S	S	*	*			trans	-78.4	121.1	165.6	168.8	0	0	0	0	110.6
703	R	28.8	Very low	31.9	Very low	230 Å²	230	137 Å²	137	87%	0.868	76%	0.764	S	S	*	*			trans	29.1	126.2	146.8	-71.2	177.2	166.3	174.1	-4	120
704	R	26.9	Very low	31.2	Very low	221 Å²	221	138.8 Å²	138.8	83%	0.834	78%	0.775	S	S	*	*				-178.7	137	97.3	-116.8	-177.2	170.2	150.4	-4.1	113.6
705	N	27.2	Very low	30.4	Very low	150 Å²	150	140.8 Å²	140.8	80%	0.802	78%	0.78	S	S	*	*			trans	67.3	120.9	147.7	-64.7	-3.5	0	0	0	121.1
706	G	27.4	Very low	30	Very low	77 Å²	77	142 Å²	142	79%	0.794	79%	0.789	S	S	*	*				117.7	59.5	126.1	0	0	0	0	0	119.3
707	R	25.7	Very low	29.5	Very low	253 Å²	253	142.7 Å²	142.7	96%	0.955	79%	0.793	S	S	*	*			trans	-174.1	118.8	139.5	-119.2	175.6	171.8	176.5	-3.2	110.1
708	V	36	Very low	28.9	Very low	139 Å²	139	138.3 Å²	138.3	84%	0.842	79%	0.786	S	S	*	*			trans	-137.2	147.3	170.6	-179.6	0	0	0	0	106.9
709	V	27.5	Very low	28.3	Very low	112 Å²	112	145.6 Å²	145.6	68%	0.679	80%	0.8	S	S	*	*	S	Bend	trans	109.6	110.8	167.4	-172.7	0	0	0	0	114.3
710	Q	27.2	Very low	27.7	Very low	189 Å²	189	144.3 Å²	144.3	88%	0.883	79%	0.794	S	S	*	*			trans	58.8	109.9	150.5	-77.1	163.5	-48.2	0	0	118.7
711	G	23.5	Very low	27.4	Very low	76 Å²	76	145.2 Å²	145.2	78%	0.784	78%	0.784	S	S	*	*			trans	-173.8	56.4	162.9	0	0	0	0	0	109.6
712	Q	36.8	Very low	27.4	Very low	172 Å²	172	148.7 Å²	148.7	80%	0.804	78%	0.778	S	S	*	*			trans	-51	146.4	141.8	-95.7	177.9	-17.8	0	0	107.2
713	P	26.9	Very low	27.2	Very low	96 Å²	96	150.2 Å²	150.2	62%	0.623	78%	0.776	S	S	*	*				-141.4	149.2	65.3	34.7	-13.7	0	0	0	113.1	V715	P713-V715 HydrophobicContact CG-CG2 4.18Å; P713-V715 PolarHBondContact O-N 3.39Å
714	T	27.7	Very low	27	Very low	112 Å²	112	142.9 Å²	142.9	69%	0.687	77%	0.772	S	S	*	*				36.6	53.8	66.1	14.2	0	0	0	0	112.9
715	V	25.9	Very low	27	Very low	114 Å²	114	139.7 Å²	139.7	69%	0.691	77%	0.772	S	S	*	*			trans	-96.9	110.1	150.5	-177.7	0	0	0	0	103.9	P713 E717	P713-V715 HydrophobicContact CG-CG2 4.18Å; P713-V715 PolarHBondContact O-N 3.39Å; V715-E717 HydrophobicContact CG1-CG 4.36Å
716	A	31.9	Very low	27	Very low	87 Å²	87	136.5 Å²	136.5	72%	0.719	76%	0.761	S	S	*	*			cis	53.9	74.1	25.4	0	0	0	0	0	113.7
717	E	24.8	Very low	27	Very low	178 Å²	178	139 Å²	139	83%	0.832	76%	0.756	S	S	*	*			trans	-133.2	106.7	137.7	-80.6	-171	158.6	0	0	105.9	V715	V715-E717 HydrophobicContact CG1-CG 4.36Å
718	A	22.3	Very low	27.1	Very low	82 Å²	82	134.1 Å²	134.1	68%	0.678	74%	0.744	S	S	*	*				72.5	105	96	0	0	0	0	0	110.2
719	R	25.5	Very low	26.8	Very low	241 Å²	241	134.1 Å²	134.1	91%	0.909	74%	0.74	S	S	*	*				-141	122.3	69.3	-104.1	173.7	171.7	161.3	-3.2	109.9
720	E	22.9	Very low	26.9	Very low	151 Å²	151	134.8 Å²	134.8	71%	0.706	74%	0.735	S	S	*	*				37.5	124.5	64.9	-82.1	-174.1	-165.6	0	0	112.5
721	E	23.5	Very low	26.8	Very low	147 Å²	147	135.1 Å²	135.1	69%	0.687	73%	0.729	S	S	*	*			cis	179	150.8	-2.5	-125.5	178.6	-158.6	0	0	104.5
722	H	25.8	Very low	27	Very low	155 Å²	155	138.2 Å²	138.2	72%	0.718	73%	0.727	S	S	*	*			trans	56.3	141.3	140.4	-83.2	-50	0	0	0	121.5
723	E	27.2	Very low	26.5	Very low	172 Å²	172	137 Å²	137	80%	0.804	73%	0.726	S	S	*	*			cis	-154.1	141.8	15.9	-109.6	173.9	-176.2	0	0	107.8
724	G	25.3	Very low	26.3	Very low	76 Å²	76	135.9 Å²	135.9	78%	0.784	73%	0.725	S	S	*	*				103.7	145.5	102.5	0	0	0	0	0	109.3
725	D	26.7	Very low	26.2	Very low	154 Å²	154	138.8 Å²	138.8	82%	0.824	73%	0.731	S	S	*	*			cis	-167.9	163.7	4.7	-174.2	18.5	0	0	0	107.4
726	S	26.6	Very low	26.1	Very low	84 Å²	84	138.2 Å²	138.2	59%	0.587	73%	0.732	S	S	*	*			trans	74	110.2	151.5	59.7	0	0	0	0	123
727	D	27	Very low	25.8	Very low	129 Å²	129	140 Å²	140	69%	0.69	73%	0.733	S	S	*	*				102.4	112	121.3	-74.6	-31.5	0	0	0	123
728	Q	29	Very low	25.9	Very low	150 Å²	150	136.2 Å²	136.2	70%	0.701	73%	0.727	S	S	*	*				61.1	113	127.4	-69.2	169.5	36.3	0	0	117.9
729	D	28.3	Very low	25.9	Very low	139 Å²	139	141 Å²	141	74%	0.743	74%	0.74	S	S	*	*				124.2	141.6	77.2	-102	-18.5	0	0	0	104.2
730	E	30	Very low	26	Very low	126 Å²	126	137.3 Å²	137.3	59%	0.589	74%	0.737	S	S	*	*			cis	-162.9	144.5	27.4	-111.6	-171.9	159.2	0	0	110.2
731	R	26.2	Very low	26	Very low	197 Å²	197	135.9 Å²	135.9	74%	0.743	74%	0.739	S	S	*	*			trans	64	108.9	139.5	-61	174.6	-162.9	-152.6	10.5	120.4
732	D	26.6	Very low	26	Very low	140 Å²	140	136.1 Å²	136.1	75%	0.749	74%	0.741	S	S	*	*				70.4	132.4	69.4	-73.7	-11.4	0	0	0	113.9
733	N	25.4	Very low	25.8	Very low	146 Å²	146	138 Å²	138	78%	0.781	74%	0.741	S	S	*	*			cis	-160.9	155.7	18	-130.9	-25.4	0	0	0	112.1
734	A	24.3	Very low	25.6	Very low	73 Å²	73	139.4 Å²	139.4	60%	0.603	74%	0.739	S	S	*	*			trans	-103.1	162.3	171.5	0	0	0	0	0	111.2
735	E	25.7	Very low	25.5	Very low	173 Å²	173	147.2 Å²	147.2	81%	0.808	75%	0.745	S	S	*	*			trans	70.7	127.4	134.3	-83.2	-176.9	170.9	0	0	123.7
736	S	24.1	Very low	26.6	Very low	102 Å²	102	144.8 Å²	144.8	71%	0.713	74%	0.738	S	S	*	*				76.5	153.3	127.6	76.6	0	0	0	0	118
737	V	23.8	Very low	26.4	Very low	124 Å²	124	150.1 Å²	150.1	75%	0.752	75%	0.753	S	S	*	*			cis	-160.7	153.9	45.5	174.1	0	0	0	0	110
738	S	26.9	Very low	26.3	Very low	100 Å²	100	150.9 Å²	150.9	70%	0.699	76%	0.758	S	S	*	*			trans	-57.7	147.1	170.5	51.4	0	0	0	0	117
739	L	23.7	Very low	26.1	Very low	182 Å²	182	151.8 Å²	151.8	95%	0.953	77%	0.766	S	S	*	*			trans	-144.5	139.7	151.1	-86.1	175.8	0	0	0	112.2
740	L	26	Very low	26	Very low	163 Å²	163	155.2 Å²	155.2	85%	0.853	77%	0.769	S	S	*	*			trans	-69.8	157.6	177.1	-70.7	153	0	0	0	112.3
741	T	23.1	Very low	25.8	Very low	122 Å²	122	155.9 Å²	155.9	75%	0.748	78%	0.777	S	S	*	*				158.2	128.9	122	-61.4	0	0	0	0	113.5
742	E	23.5	Very low	25.7	Very low	152 Å²	152	150.9 Å²	150.9	71%	0.71	78%	0.777	S	S	*	*			trans	50.5	118.7	151.5	-75.4	-169.5	118	0	0	125.6
743	R	22.6	Very low	25.7	Very low	194 Å²	194	150.1 Å²	150.1	73%	0.732	78%	0.777	S	S	*	*				69.7	129.4	105.5	-151.1	174.8	-161.8	177.8	4.5	121.3
744	R	22.7	Very low	25.7	Very low	202 Å²	202	152.8 Å²	152.8	76%	0.762	78%	0.777	S	S	*	*			trans	91.3	101	146.9	-98.7	175.1	-169.3	-170.1	5.1	120.4
745	R	23.2	Very low	25.8	Very low	239 Å²	239	156.9 Å²	156.9	90%	0.902	78%	0.781	S	S	*	*				70.7	158.4	117.4	-88.1	-153.3	-177.2	179.9	2.5	120.8
746	P	49.4	Very low	26.1	Very low	104 Å²	104	154 Å²	154	68%	0.675	78%	0.78	S	S	*	*			trans	-114.4	172.8	-133.6	43.1	-34.1	0	0	0	113.4
747	E	22.7	Very low	26.4	Very low	195 Å²	195	154.6 Å²	154.6	91%	0.911	78%	0.781	S	S	*	*			trans	-164.5	148.1	149.6	-115.4	163.2	-164.8	0	0	115.3
748	N	24.6	Very low	27	Very low	146 Å²	146	153.8 Å²	153.8	78%	0.781	78%	0.778	S	S	*	*			trans	-69.8	158.7	176	-63.4	-61.9	0	0	0	112.2
749	L	25.8	Very low	26.8	Very low	168 Å²	168	154.5 Å²	154.5	88%	0.88	78%	0.782	S	S	*	*				-178.1	151.9	104.4	-138.3	72.2	0	0	0	114
750	R	26	Very low	26.7	Very low	211 Å²	211	154.5 Å²	154.5	80%	0.796	78%	0.777	S	S	*	*			trans	-57.5	165.6	-177.7	-74.2	174.9	172.6	174.7	-2.5	120.8
751	D	25.5	Very low	27.1	Very low	141 Å²	141	151.7 Å²	151.7	75%	0.754	77%	0.769	S	S	*	*			trans	81.7	117.9	137.9	-71.4	-24.5	0	0	0	121.8
752	A	25.1	Very low	27.1	Very low	92 Å²	92	156.6 Å²	156.6	76%	0.76	77%	0.774	S	S	*	*				167.9	105.5	120.8	0	0	0	0	0	109.8
753	V	26.2	Very low	27.1	Very low	124 Å²	124	157.5 Å²	157.5	75%	0.752	78%	0.778	S	S	*	*				78.5	114.2	82.8	172.9	0	0	0	0	114.6
754	R	24.9	Very low	27.2	Very low	202 Å²	202	157.9 Å²	157.9	76%	0.762	79%	0.785	S	S	*	*			trans	90	127	142.5	-91.2	175.6	165.4	-171.4	0.1	122.5
755	K	25.6	Very low	27.3	Very low	159 Å²	159	154.2 Å²	154.2	69%	0.691	79%	0.785	S	S	*	*				94.6	93.3	128.7	-77.2	168.1	178	-175.3	0	118.7
756	S	32.4	Very low	27.3	Very low	113 Å²	113	149.2 Å²	149.2	79%	0.79	78%	0.78	S	S	*	*				-71.9	149.1	128.9	48.2	0	0	0	0	109.4
757	P	32	Very low	25.9	Very low	114 Å²	114	149.4 Å²	149.4	74%	0.74	78%	0.78	S	S	*	*				-157.8	-156.3	85.9	42.5	-20.3	0	0	0	112.3
758	P	35.7	Very low	25.9	Very low	107 Å²	107	146 Å²	146	70%	0.695	78%	0.777	S	S	*	*			cis	-132.9	167.4	-19.9	21.6	2.9	0	0	0	116.5
759	C	21.5	Very low	25.8	Very low	115 Å²	115	144.2 Å²	144.2	78%	0.777	78%	0.775	S	S	*	*			trans	45.4	119.6	137	-60.1	0	0	0	0	124.1
760	Q	22.8	Very low	25.8	Very low	181 Å²	181	144.8 Å²	144.8	85%	0.846	78%	0.778	S	S	*	*				38.5	170.8	108.7	-86.5	-170.9	4.1	0	0	120.9
761	P	34.3	Very low	25.7	Very low	104 Å²	104	138.6 Å²	138.6	68%	0.675	78%	0.78	S	S	*	*			cis	-142.7	179.1	-27.1	35.6	-15.6	0	0	0	114.1
762	R	22.5	Very low	25.7	Very low	226 Å²	226	143.9 Å²	143.9	85%	0.853	79%	0.79	S	S	*	*			trans	143.1	112.8	143.2	-87.5	179.6	156.5	174.8	-3.5	112
763	Q	24.6	Very low	25.6	Very low	170 Å²	170	144.7 Å²	144.7	79%	0.794	79%	0.79	S	S	*	*				47.3	113.4	87	-85.8	-171.4	-6.1	0	0	115.7
764	K	24.2	Very low	26.3	Very low	202 Å²	202	143.8 Å²	143.8	88%	0.878	79%	0.786	S	S	*	*				-179.9	140.1	107.2	-97.8	177.2	-178	-176.9	0	114.3
765	T	23.4	Very low	26.3	Very low	125 Å²	125	143.8 Å²	143.8	77%	0.767	79%	0.792	S	S	*	*			trans	-72.2	144.6	171.1	-30.8	0	0	0	0	113.2
766	V	23.6	Very low	26.3	Very low	134 Å²	134	142.8 Å²	142.8	81%	0.812	79%	0.794	S	S	*	*			trans	-163.3	102.2	149.2	-179.3	0	0	0	0	107
767	T	21.6	Very low	26	Very low	109 Å²	109	144 Å²	144	67%	0.669	79%	0.791	S	S	*	*				56	128.6	90.3	55	0	0	0	0	119.7
768	C	22.4	Very low	25.6	Very low	124 Å²	124	147.9 Å²	147.9	84%	0.838	80%	0.799	S	S	*	*			trans	72.9	146.3	153.3	-67.6	0	0	0	0	117.5
769	S	21.7	Very low	25	Very low	108 Å²	108	150.5 Å²	150.5	76%	0.755	80%	0.802	S	S	*	*			cis	-175.8	161.8	9.6	36.7	0	0	0	0	109.5
770	L	26.3	Very low	25.2	Very low	179 Å²	179	152.9 Å²	152.9	94%	0.937	81%	0.806	S	S	*	*			trans	-0.3	137.5	162.3	-91	77.6	0	0	0	121.1
771	G	23	Very low	25.2	Very low	81 Å²	81	149.8 Å²	149.8	84%	0.835	80%	0.799	S	S	*	*			trans	-170.8	126.9	155.3	0	0	0	0	0	113.6
772	R	24.8	Very low	24.9	Very low	253 Å²	253	150.4 Å²	150.4	96%	0.955	80%	0.803	S	S	*	*			trans	-72.9	142.3	-179	-77.6	169	161.9	171.1	-7	113.4
773	S	23.7	Very low	25	Very low	109 Å²	109	146 Å²	146	76%	0.762	80%	0.802	S	S	*	*			trans	2.2	167.9	139	-167.7	0	0	0	0	121.1
774	P	41.2	Very low	25.3	Very low	105 Å²	105	142 Å²	142	68%	0.682	80%	0.797	S	S	*	*			cis	-133.8	179.2	-23	24.5	-2	0	0	0	114.4
775	K	25.9	Very low	25.4	Very low	201 Å²	201	141 Å²	141	87%	0.874	80%	0.801	S	S	*	*			trans	152.9	157.1	144.7	-86.1	164.1	-173.4	-175.7	0	109.3
776	N	24.7	Very low	25.6	Very low	138 Å²	138	142.2 Å²	142.2	74%	0.738	80%	0.802	S	S	*	*			cis	-178.1	149.2	-35.8	-139.8	-6.7	0	0	0	104.7
777	L	25.4	Very low	26.1	Very low	139 Å²	139	141 Å²	141	73%	0.728	80%	0.797	S	S	*	*			trans	62	122.5	163.6	-78.3	102.5	0	0	0	120.5
778	Q	24.4	Very low	26.3	Very low	196 Å²	196	140.9 Å²	140.9	92%	0.916	80%	0.801	S	S	*	*				-154.7	133.6	100.5	-150.8	158.8	19.6	0	0	111.7
779	E	23.8	Very low	26.6	Very low	162 Å²	162	142.1 Å²	142.1	76%	0.757	80%	0.799	S	S	*	*			trans	-104.7	142.1	-175.6	-151.9	175	-166.3	0	0	108
780	I	25	Very low	26.9	Very low	165 Å²	165	145 Å²	145	85%	0.846	81%	0.805	S	S	*	*			trans	-135	119.6	162.9	-61.8	179.6	0	0	0	108.4
781	T	23	Very low	27	Very low	115 Å²	115	141.4 Å²	141.4	71%	0.706	80%	0.795	S	S	*	*			trans	-73.8	161.8	176.7	-30.4	0	0	0	0	111.8
782	P	27.6	Very low	27.6	Very low	117 Å²	117	143.1 Å²	143.1	76%	0.76	79%	0.791	S	S	*	*				-138.3	132	117.8	31.8	-16.3	0	0	0	115
783	T	25.7	Very low	27.9	Very low	135 Å²	135	142.1 Å²	142.1	83%	0.828	79%	0.788	S	S	*	*			trans	25.5	134.8	135.4	-26.5	0	0	0	0	122.4
784	A	29	Very low	28.1	Very low	84 Å²	84	145 Å²	145	69%	0.694	79%	0.793	S	S	*	*			trans	-62.4	156.4	176.7	0	0	0	0	0	117.2
785	L	27.5	Very low	27.5	Very low	183 Å²	183	145.6 Å²	145.6	96%	0.958	79%	0.794	S	S	*	*			trans	-162.7	147.7	140.6	-104.4	144	0	0	0	112
786	D	26.4	Very low	27.7	Very low	150 Å²	150	143.6 Å²	143.6	80%	0.802	79%	0.793	S	S	*	*			trans	-70	162.7	-162.9	-139.7	13.5	0	0	0	115.4
787	P	35.8	Very low	27.9	Very low	109 Å²	109	140.1 Å²	140.1	71%	0.708	79%	0.789	S	S	*	*			trans	-99.9	121.6	-178.7	35.3	-23.2	0	0	0	112.2
788	S	25.5	Very low	28.1	Very low	105 Å²	105	140.1 Å²	140.1	73%	0.734	80%	0.795	S	S	*	*			trans	-163.5	121.7	156.9	52.1	0	0	0	0	112.2
789	N	27.9	Very low	28.4	Very low	151 Å²	151	139.5 Å²	139.5	81%	0.807	79%	0.793	S	S	*	*			trans	50.3	113.7	149.3	-72.9	-52.5	0	0	0	118.9
790	L	27.4	Very low	28.9	Very low	168 Å²	168	139.9 Å²	139.9	88%	0.88	80%	0.8	S	S	*	*				179.3	109.7	108.1	-89.6	155.3	0	0	0	108.5
791	S	30.2	Very low	29.3	Very low	103 Å²	103	137.9 Å²	137.9	72%	0.72	80%	0.801	S	S	*	*			trans	-70.5	155.9	150.1	44.5	0	0	0	0	108.2
792	P	35.4	Very low	29.7	Very low	117 Å²	117	142 Å²	142	76%	0.76	81%	0.812	S	S	*	*				-137.4	149.5	89.9	29.6	-12.4	0	0	0	113.9
793	R	30.7	Very low	29.8	Very low	233 Å²	233	139.8 Å²	139.8	88%	0.879	81%	0.81	S	S	*	*			trans	-51	135	157.1	-79.6	172.7	165	163.2	-5.6	109.8
794	I	26.8	Very low	30	Very low	169 Å²	169	139.2 Å²	139.2	87%	0.867	81%	0.806	S	S	*	*			trans	-110.2	125	151.2	-69.8	171.5	0	0	0	106.7
795	V	29.6	Very low	30.1	Very low	117 Å²	117	143.5 Å²	143.5	71%	0.709	81%	0.812	S	S	*	*			trans	-80.3	135.1	-177.8	173.4	0	0	0	0	107.9	G797	V795-G797 PolarHBondContact O-N 3.04Å
796	D	29.5	Very low	30.2	Very low	159 Å²	159	141 Å²	141	85%	0.85	80%	0.804	S	S	*	*			trans	-70.3	109.4	170.2	-151.2	3	0	0	0	107.7
797	G	28.5	Very low	30.3	Very low	65 Å²	65	139 Å²	139	67%	0.67	80%	0.802	S	S	*	*			trans	-90.4	113.3	175.4	0	0	0	0	0	109.4	V795	V795-G797 PolarHBondContact O-N 3.04Å
798	T	30.5	Very low	29.9	Very low	139 Å²	139	142.7 Å²	142.7	85%	0.853	81%	0.81	S	S	*	*			trans	-83.7	112.4	161	42.5	0	0	0	0	108.9
799	E	31.2	Very low	29.9	Very low	184 Å²	184	143.9 Å²	143.9	86%	0.86	81%	0.813	S	S	*	*			trans	-99.5	120.7	153.2	-70.7	-173.7	149.5	0	0	107.5
800	D	33.6	Very low	29.8	Very low	169 Å²	169	145.8 Å²	145.8	90%	0.904	82%	0.815	S	S	*	*			trans	-158.2	118	132.9	-91.9	-26.2	0	0	0	107.3
801	S	33	Very low	29.7	Very low	124 Å²	124	142.4 Å²	142.4	87%	0.867	81%	0.805	S	S	*	*			trans	-87.9	132.6	176.8	-66.9	0	0	0	0	110
802	E	32.2	Very low	29.4	Very low	202 Å²	202	147.4 Å²	147.4	94%	0.944	81%	0.814	S	S	*	*				-168.1	123.9	128.2	-108.6	-177.2	-177.1	0	0	110
803	G	29.5	Very low	29	Very low	69 Å²	69	147.2 Å²	147.2	71%	0.711	82%	0.815	S	S	*	*			trans	120.5	80.4	151.3	0	0	0	0	0	119.3
804	T	29.7	Very low	28.9	Very low	123 Å²	123	143.3 Å²	143.3	76%	0.755	82%	0.818	S	S	*	*			trans	72.5	106.3	136.4	-10.4	0	0	0	0	120.5
805	E	31.1	Very low	29	Very low	175 Å²	175	138.5 Å²	138.5	82%	0.818	81%	0.81	S	S	*	*			trans	41.7	129.8	132.3	-50.5	-175.3	166.5	0	0	118.6
806	T	29.6	Very low	29	Very low	129 Å²	129	141.9 Å²	141.9	79%	0.791	82%	0.823	S	S	*	*			cis	-162.8	143.7	44.5	43.6	0	0	0	0	110.6
807	S	28.8	Very low	28.9	Very low	109 Å²	109	138 Å²	138	76%	0.762	82%	0.821	S	S	*	*			trans	-50.6	144.4	173.6	-41.7	0	0	0	0	115.5
808	Q	27.8	Very low	28.8	Very low	186 Å²	186	141.1 Å²	141.1	87%	0.869	83%	0.83	S	S	*	*				-165.5	114.7	126.1	-105.4	173.1	22.7	0	0	112
809	T	25.8	Very low	29.3	Very low	131 Å²	131	140.1 Å²	140.1	80%	0.804	83%	0.827	S	S	*	*			trans	-72.5	136.9	174.2	-23.1	0	0	0	0	110.4
810	F	25.3	Very low	29.3	Very low	191 Å²	191	137.9 Å²	137.9	84%	0.838	83%	0.825	S	S	*	*			trans	-139.8	128.6	154	-97.9	-78.9	0	0	0	112.3
811	S	25.9	Very low	29	Very low	97 Å²	97	135.4 Å²	135.4	68%	0.678	82%	0.821	S	S	*	*			trans	-80.1	150.1	177.8	47.8	0	0	0	0	112.6
812	F	23.7	Very low	28.7	Very low	208 Å²	208	138.2 Å²	138.2	91%	0.912	82%	0.82	S	S	*	*			trans	-86.7	131.1	168.6	-89.2	-89.4	0	0	0	111.7
813	S	26.7	Very low	29.1	Very low	112 Å²	112	133.8 Å²	133.8	78%	0.783	81%	0.809	S	S	*	*			trans	-125.2	135	163.7	-59.4	0	0	0	0	109.4
814	T	29.2	Very low	28.9	Very low	152 Å²	152	136.3 Å²	136.3	93%	0.933	81%	0.811	S	S	*	*			trans	-98.9	141	178.9	-34.4	0	0	0	0	109.6
815	G	28.3	Very low	28.7	Very low	67 Å²	67	135.4 Å²	135.4	69%	0.691	81%	0.809	S	S	*	*			trans	151.2	113.3	157.2	0	0	0	0	0	118.4
816	L	29.8	Very low	28.5	Very low	189 Å²	189	131.3 Å²	131.3	99%	0.99	81%	0.805	S	S	*	*			trans	61.6	130.4	143.1	-102.7	78.1	0	0	0	122.6
817	G	25.9	Very low	28.4	Very low	78 Å²	78	130.2 Å²	130.2	80%	0.804	80%	0.803	S	S	*	*			trans	141.4	106	142.8	0	0	0	0	0	117
818	C	26.9	Very low	28.4	Very low	129 Å²	129	131.5 Å²	131.5	87%	0.872	81%	0.807	S	S	*	*			trans	-80	152.9	153.8	-101.9	0	0	0	0	109.1
819	P	40.7	Very low	28.4	Very low	119 Å²	119	128.3 Å²	128.3	77%	0.773	81%	0.805	S	S	*	*				-152.9	156.3	75.1	36.7	-15	0	0	0	119.1
820	V	31.4	Very low	28.5	Very low	137 Å²	137	128.4 Å²	128.4	83%	0.83	81%	0.805	S	S	*	*			trans	27.1	122	139.1	-171.6	0	0	0	0	121.8
821	S	26.9	Very low	28.6	Very low	116 Å²	116	126 Å²	126	81%	0.811	81%	0.806	S	S	*	*				174.6	128.6	121.3	49.6	0	0	0	0	113.9
822	E	26.8	Very low	28.6	Very low	184 Å²	184	129.3 Å²	129.3	86%	0.86	82%	0.816	S	S	*	*			trans	-76.2	179.4	167	-78.7	-177.5	161.3	0	0	112.7
823	P	42.3	Very low	28.9	Very low	108 Å²	108	127.7 Å²	127.7	70%	0.701	81%	0.814	S	S	*	*			cis	-130.6	-178.4	-24.5	25.5	-3	0	0	0	113.3
824	T	24.6	Very low	29.3	Very low	123 Å²	123	129.3 Å²	129.3	76%	0.755	81%	0.813	S	S	*	*			trans	119.8	123.3	142.5	-29.8	0	0	0	0	118.1
825	S	25.4	Very low	29.4	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	81%	0.812	S	S	*	*			trans	68	113	150.8	58.4	0	0	0	0	122.4
826	A	27.4	Very low	30.1	Very low	89 Å²	89	134.2 Å²	134.2	74%	0.736	81%	0.81	S	S	*	*				82.7	127.4	126.8	0	0	0	0	0	120.7
827	S	27.4	Very low	30.7	Very low	106 Å²	106	128 Å²	128	74%	0.741	78%	0.782	S	S	*	*			trans	61.5	102.9	152.9	61.9	0	0	0	0	118.4
828	T	28.6	Very low	31.6	Very low	137 Å²	137	128.3 Å²	128.3	84%	0.84	78%	0.777	S	S	*	*				179.3	124.1	112.2	22.5	0	0	0	0	110.5
829	S	27	Very low	32.8	Very low	119 Å²	119	127.1 Å²	127.1	83%	0.832	77%	0.766	S	S	*	*			trans	-77.4	120.2	171	48.4	0	0	0	0	110.3
830	T	28.4	Very low	33.3	Very low	132 Å²	132	126.9 Å²	126.9	81%	0.81	76%	0.755	S	S	*	*			trans	-131.6	93.2	162.9	39.6	0	0	0	0	109.1
831	T	27.7	Very low	34.5	Very low	140 Å²	140	126.1 Å²	126.1	86%	0.859	75%	0.745	S	S	*	*			trans	-152.7	97.1	157.2	-5.8	0	0	0	0	106.6
832	D	26.5	Very low	36.1	Very low	167 Å²	167	123.4 Å²	123.4	89%	0.893	73%	0.729	S	S	*	*			trans	-138.5	90	166.3	-112.9	-15.1	0	0	0	108
833	M	28.2	Very low	38.1	Very low	175 Å²	175	117.2 Å²	117.2	86%	0.862	71%	0.71	S	S	*	*	S	Bend	trans	-155.1	125.9	141.8	-126.2	-164	165.4	0	0	110.3
834	L	35.1	Very low	39.2	Very low	145 Å²	145	118.9 Å²	118.9	76%	0.759	71%	0.706	S	S	*	*			trans	89.9	72.1	167.7	-56.6	168.8	0	0	0	117.5
835	H	33	Very low	41.1	Very low	196 Å²	196	115.7 Å²	115.7	91%	0.907	69%	0.692	S	S	*	*			trans	-143.9	96.3	140.7	-100.7	-74.2	0	0	0	110	S837	H835-S837 PolarHBondContact O-N 3.48Å
836	I	42.1	Very low	43.5	Very low	126 Å²	126	117.9 Å²	117.9	65%	0.646	69%	0.691	S	S	*	*			trans	-78.1	115.6	166.4	-62.7	174.3	0	0	0	106.9	E840	I836-E840 HydrophobicContact CG2-CB 4.39Å
837	S	43.1	Very low	45.6	Very low	58 Å²	58	119.4 Å²	119.4	41%	0.406	68%	0.683	S	S	.	*			trans	-76.6	143.8	-177.4	65.3	0	0	0	0	111.2	H835 T839 E840	H835-S837 PolarHBondContact O-N 3.48Å; S837-T839 PolarHBondContact O-N 3.49Å; S837-T839 PolarHBondContact OG-OG1 3.18Å; S837-E840 WeakPolarHBondContact O-CB 3.39Å; S837-E840 PolarHBondContact O-N 2.97Å
838	A	43.2	Very low	47.4	Very low	85 Å²	85	117.9 Å²	117.9	70%	0.702	67%	0.669	S	S	*	*	H	α-helix	trans	-56.2	-21.4	-179.6	0	0	0	0	0	113.9	E840 A842	A838-E840 VanDerWaalsContact C-N 3.34Å; A838-A842 PolarHBondContact O-N 3.39Å; A838-A842 VanDerWaalsContact O-N 3.12Å
839	T	52.2	Low	49.3	Very low	104 Å²	104	119.5 Å²	119.5	64%	0.638	66%	0.66	S	S	*	*	H	α-helix	trans	-68.3	-30.8	174.8	40.1	0	0	0	0	113	S837 A842 A843	S837-T839 PolarHBondContact O-N 3.49Å; S837-T839 PolarHBondContact OG-OG1 3.18Å; T839-A842 PolarHBondContact O-N 3.35Å; T839-A843 PolarHBondContact O-N 3.18Å
840	E	51.6	Low	51	Low	115 Å²	115	115.7 Å²	115.7	54%	0.537	64%	0.64	S	S	.	*	H	α-helix	trans	-78.6	-32.6	179.8	-151.4	173	-173.4	0	0	111.8	I836 S837 A838 K844	I836-E840 HydrophobicContact CG2-CB 4.39Å; S837-E840 WeakPolarHBondContact O-CB 3.39Å; S837-E840 PolarHBondContact O-N 2.97Å; A838-E840 VanDerWaalsContact C-N 3.34Å; E840-K844 PolarHBondContact O-N 3.17Å; E840-K844 VanDerWaalsContact O-N 3.09Å
841	L	56.4	Low	52.6	Low	121 Å²	121	114.9 Å²	114.9	63%	0.634	63%	0.627	S	S	*	*	H	α-helix	trans	-68.4	-37.1	169.3	-91.2	156.8	0	0	0	112.1	A845	L841-A845 WeakPolarHBondContact O-CB 3.48Å; L841-A845 PolarHBondContact O-N 3.4Å
842	A	61.1	Low	54.1	Low	58 Å²	58	114 Å²	114	48%	0.479	62%	0.616	S	S	.	*	H	α-helix	trans	-66.2	-41.7	174.2	0	0	0	0	0	111.7	A838 T839 A845 E846	A838-A842 PolarHBondContact O-N 3.39Å; A838-A842 VanDerWaalsContact O-N 3.12Å; T839-A842 PolarHBondContact O-N 3.35Å; A842-A845 PolarHBondContact O-N 3.23Å; A842-E846 PolarHBondContact O-N 3.33Å
843	A	68.7	Low	55.6	Low	55 Å²	55	114.7 Å²	114.7	46%	0.455	61%	0.606	S	S	.	*	H	α-helix	trans	-62.7	-43.7	176.3	0	0	0	0	0	112.4	T839 A845 E846 E847	T839-A843 PolarHBondContact O-N 3.18Å; A843-A845 VanDerWaalsContact C-N 3.34Å; A843-A845 PolarHBondContact O-N 2.88Å; A843-E846 PolarHBondContact O-N 3.36Å; A843-E847 PolarHBondContact O-N 2.71Å
844	K	65.6	Low	56.8	Low	142 Å²	142	111.7 Å²	111.7	62%	0.617	59%	0.59	S	S	*	*	H	α-helix	trans	-66.1	-33.3	174.7	-93.2	-178.4	172.9	172.8	0	113.6	E840 E846 T848	E840-K844 PolarHBondContact O-N 3.17Å; E840-K844 VanDerWaalsContact O-N 3.09Å; K844-E846 VanDerWaalsContact C-N 3.3Å; K844-T848 WeakPolarHBondContact O-CB 3.18Å; K844-T848 WeakPolarHBondContact O-CG2 3.47Å; K844-T848 PolarHBondContact O-N 3.04Å; K844-T848 PolarHBondContact O-OG1 3.04Å
845	A	64.9	Low	57.6	Low	56 Å²	56	110 Å²	110	46%	0.463	58%	0.582	S	S	.	*	H	α-helix	trans	-68.3	-32.1	174.3	0	0	0	0	0	111.9	L841 A842 A843 T848 R849	L841-A845 WeakPolarHBondContact O-CB 3.48Å; L841-A845 PolarHBondContact O-N 3.4Å; A842-A845 PolarHBondContact O-N 3.23Å; A843-A845 VanDerWaalsContact C-N 3.34Å; A843-A845 PolarHBondContact O-N 2.88Å; A845-T848 WeakPolarHBondContact CA-OG1 3.36Å; A845-T848 PolarHBondContact O-OG1 3.46Å; A845-T848 VanDerWaalsContact O-OG1 3.04Å; A845-R849 VanDerWaalsContact O-CB 3.3Å; A845-R849 WeakPolarHBondContact O-CB 3.43Å; A845-R849 PolarHBondContact O-N 3.33Å
846	E	75.4	Confident	58.7	Low	150 Å²	150	107 Å²	107	70%	0.701	57%	0.572	S	S	*	*	H	α-helix	trans	-77.6	-37.5	177.4	-143.4	163.7	-159.6	0	0	111.9	A842 A843 K844 R849 G850	A842-E846 PolarHBondContact O-N 3.33Å; A843-E846 PolarHBondContact O-N 3.36Å; K844-E846 VanDerWaalsContact C-N 3.3Å; E846-R849 PolarHBondContact O-N 2.84Å; E846-G850 PolarHBondContact O-N 3.48Å
847	E	70.6	Confident	59.1	Low	120 Å²	120	108.9 Å²	108.9	56%	0.561	58%	0.578	S	S	*	*	H	α-helix	trans	-62.7	-46.4	173.7	-172.7	178.8	-171.3	0	0	112.2	A843 R849 G850 Q851	A843-E847 PolarHBondContact O-N 2.71Å; E847-R849 VanDerWaalsContact C-N 3.29Å; E847-R849 PolarHBondContact O-N 3.13Å; E847-G850 PolarHBondContact O-N 3.16Å; E847-G850 VanDerWaalsContact O-N 3.15Å; E847-Q851 PolarHBondContact O-N 3.27Å
848	T	66.9	Low	59.4	Low	74 Å²	74	113.1 Å²	113.1	45%	0.454	59%	0.591	S	S	.	*	H	α-helix	trans	-65	-33.4	176.2	46.5	0	0	0	0	112.4	K844 A845 Q851 L852	K844-T848 WeakPolarHBondContact O-CB 3.18Å; K844-T848 WeakPolarHBondContact O-CG2 3.47Å; K844-T848 PolarHBondContact O-N 3.04Å; K844-T848 PolarHBondContact O-OG1 3.04Å; A845-T848 WeakPolarHBondContact CA-OG1 3.36Å; A845-T848 PolarHBondContact O-OG1 3.46Å; A845-T848 VanDerWaalsContact O-OG1 3.04Å; T848-Q851 PolarHBondContact O-N 3.25Å; T848-L852 PolarHBondContact O-N 3.21Å
849	R	68.4	Low	59.5	Low	171 Å²	171	117.3 Å²	117.3	65%	0.645	61%	0.608	S	S	*	*	H	α-helix	trans	-72.1	-30.3	174.9	-157	173.3	176.5	171.3	-1.7	112.4	A845 E846 E847 R853	A845-R849 VanDerWaalsContact O-CB 3.3Å; A845-R849 WeakPolarHBondContact O-CB 3.43Å; A845-R849 PolarHBondContact O-N 3.33Å; E846-R849 PolarHBondContact O-N 2.84Å; E847-R849 VanDerWaalsContact C-N 3.29Å; E847-R849 PolarHBondContact O-N 3.13Å; R849-R853 PolarHBondContact O-N 3.27Å
850	G	62.9	Low	59.8	Low	40 Å²	40	118 Å²	118	41%	0.412	61%	0.607	S	S	.	*	H	α-helix	trans	-66.6	-44.2	169.2	0	0	0	0	0	112.6	E846 E847 L852 R853 H854	E846-G850 PolarHBondContact O-N 3.48Å; E847-G850 PolarHBondContact O-N 3.16Å; E847-G850 VanDerWaalsContact O-N 3.15Å; G850-L852 PolarHBondContact O-N 3.19Å; G850-R853 PolarHBondContact O-N 3.32Å; G850-H854 PolarHBondContact O-N 3.46Å; G850-H854 VanDerWaalsContact O-N 3.08Å
851	Q	61.7	Low	60.3	Low	114 Å²	114	118.2 Å²	118.2	53%	0.533	61%	0.61	S	S	.	*	H	α-helix	trans	-64.6	-37.8	176.9	-70.7	-179.8	-7.8	0	0	112.5	E847 T848 H854 L855	E847-Q851 PolarHBondContact O-N 3.27Å; T848-Q851 PolarHBondContact O-N 3.25Å; Q851-H854 PolarHBondContact O-N 3.45Å; Q851-L855 PolarHBondContact O-N 2.88Å
852	L	59	Low	60.5	Low	122 Å²	122	118 Å²	118	64%	0.639	61%	0.609	S	S	*	*	H	α-helix	trans	-64.3	-40.3	174.1	-96.1	151.8	0	0	0	112.8	T848 G850 H854 L855 D856	T848-L852 PolarHBondContact O-N 3.21Å; G850-L852 PolarHBondContact O-N 3.19Å; L852-H854 VanDerWaalsContact C-N 3.31Å; L852-H854 PolarHBondContact O-N 3.39Å; L852-L855 PolarHBondContact O-N 2.73Å; L852-D856 WeakPolarHBondContact O-CB 3.42Å; L852-D856 PolarHBondContact O-N 2.9Å
853	R	58.1	Low	60.5	Low	181 Å²	181	121.5 Å²	121.5	68%	0.683	62%	0.617	S	S	*	*	H	α-helix	trans	-67.2	-32.1	174.9	-78.9	-176.4	173.7	178.2	-1	113	R849 G850 Q857	R849-R853 PolarHBondContact O-N 3.27Å; G850-R853 PolarHBondContact O-N 3.32Å; R853-Q857 PolarHBondContact O-N 3.05Å
854	H	52.3	Low	59.9	Low	113 Å²	113	125.7 Å²	125.7	52%	0.523	63%	0.627	S	S	.	*	H	α-helix	trans	-72.2	-34.9	176.3	-171.3	-84.4	0	0	0	112.1	G850 Q851 L852 Q857 Q858	G850-H854 PolarHBondContact O-N 3.46Å; G850-H854 VanDerWaalsContact O-N 3.08Å; Q851-H854 PolarHBondContact O-N 3.45Å; L852-H854 VanDerWaalsContact C-N 3.31Å; L852-H854 PolarHBondContact O-N 3.39Å; H854-Q857 PolarHBondContact O-N 2.9Å; H854-Q858 PolarHBondContact CE1-NE2 3.48Å; H854-Q858 VanDerWaalsContact CE1-NE2 3.33Å; H854-Q858 PolarHBondContact O-N 3.27Å
855	L	52.8	Low	59.6	Low	110 Å²	110	124.6 Å²	124.6	58%	0.576	63%	0.627	S	S	*	*	H	α-helix	trans	-68.6	-39.1	172.9	-93.6	151.3	0	0	0	112.4	Q851 L852 Q857 Q858 V859	Q851-L855 PolarHBondContact O-N 2.88Å; L852-L855 PolarHBondContact O-N 2.73Å; L855-Q857 PolarHBondContact O-N 3.4Å; L855-Q858 PolarHBondContact O-N 3.25Å; L855-V859 PolarHBondContact O-N 3.45Å
856	D	55	Low	59.2	Low	133 Å²	133	129.5 Å²	129.5	71%	0.711	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-14.3	177.9	-144.7	37.9	0	0	0	113.1	L852	L852-D856 WeakPolarHBondContact O-CB 3.42Å; L852-D856 PolarHBondContact O-N 2.9Å
857	Q	52.1	Low	57.9	Low	164 Å²	164	127.9 Å²	127.9	77%	0.766	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-8	176.4	-137	170.2	9.9	0	0	113	R853 H854 L855	R853-Q857 PolarHBondContact O-N 3.05Å; H854-Q857 PolarHBondContact O-N 2.9Å; L855-Q857 PolarHBondContact O-N 3.4Å
858	Q	49.1	Very low	56.9	Low	147 Å²	147	128.6 Å²	128.6	69%	0.687	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-6.8	175.4	-75.4	-172.3	-17	0	0	113.3	H854 L855	H854-Q858 PolarHBondContact CE1-NE2 3.48Å; H854-Q858 VanDerWaalsContact CE1-NE2 3.33Å; H854-Q858 PolarHBondContact O-N 3.27Å; L855-Q858 PolarHBondContact O-N 3.25Å
859	V	44.2	Very low	56	Low	174 Å²	174	133.5 Å²	133.5	100%	1.055	66%	0.657	S	S	*	*			trans	-94.6	0	165.2	179.8	0	0	0	0	108.3	L855	L855-V859 PolarHBondContact O-N 3.45Å

Retrieved 859 of 859 residues in 138 ms (Link to these results)

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