A0A077Z9F8_TRITR Loading...

Exocyst complex component 2

Component of the exocyst complex involved in the docking of exocytic vesicles with fusion sites on the plasma membrane.

AlphaFold DB , UniProt , Accession A0A077Z9F8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 656 aa.

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(Predicted Aligned Error values between residue pairs)

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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	50.3	Low	54.3	Low	206 Å²	206	129.9 Å²	129.9	100%	1.015	66%	0.661	S	S	*	*				0	-47.8	0	-93	-165.6	-163.5	0	0	112.8	E3 I4 S5	M1-E3 PolarHBondContact O-N 3.23Å; M1-I4 PolarHBondContact O-N 3.24Å; M1-S5 PolarHBondContact O-N 3.15Å
2	V	49.4	Very low	55.1	Low	117 Å²	117	124.4 Å²	124.4	71%	0.709	64%	0.638	S	S	*	*	H	α-helix	trans	-59.5	-40.9	-173.7	-176.6	0	0	0	0	113.7	I4 S5 V6	V2-I4 PolarHBondContact O-N 2.74Å; V2-S5 PolarHBondContact O-N 3.27Å; V2-V6 PolarHBondContact O-N 3.03Å
3	E	46.1	Very low	55.7	Low	169 Å²	169	125.2 Å²	125.2	79%	0.79	64%	0.636	S	S	*	*	H	α-helix	trans	-69.1	-31.8	-179.4	-74.3	-177.4	150.8	0	0	114.4	M1 S5 V6 S7	M1-E3 PolarHBondContact O-N 3.23Å; E3-S5 VanDerWaalsContact C-N 3.35Å; E3-V6 PolarHBondContact O-N 3.18Å; E3-S7 PolarHBondContact O-N 3.31Å
4	I	51.1	Low	55.9	Low	133 Å²	133	123.6 Å²	123.6	68%	0.682	63%	0.629	S	S	*	*	H	α-helix	trans	-69.5	-38.2	177.3	-61.3	171.8	0	0	0	109.7	M1 V2 V6 S7 Y8	M1-I4 PolarHBondContact O-N 3.24Å; V2-I4 PolarHBondContact O-N 2.74Å; I4-V6 PolarHBondContact O-N 2.99Å; I4-S7 PolarHBondContact O-N 3.35Å; I4-Y8 WeakPolarHBondContact O-CB 3.24Å; I4-Y8 PolarHBondContact O-N 3.15Å; I4-Y8 VanDerWaalsContact O-N 3.08Å
5	S	54.6	Low	56	Low	71 Å²	71	120.9 Å²	120.9	50%	0.497	62%	0.62	S	S	.	*	H	α-helix	trans	-64.8	-36.2	177.1	-62.1	0	0	0	0	112.9	M1 V2 E3 F9	M1-S5 PolarHBondContact O-N 3.15Å; V2-S5 PolarHBondContact O-N 3.27Å; E3-S5 VanDerWaalsContact C-N 3.35Å; S5-F9 WeakPolarHBondContact O-CB 3.43Å; S5-F9 PolarHBondContact O-N 3.11Å
6	V	57.9	Low	55.8	Low	83 Å²	83	123.4 Å²	123.4	50%	0.503	62%	0.621	S	S	.	*	H	α-helix	trans	-70.4	-41.8	179.5	177.3	0	0	0	0	111.7	V2 E3 I4 F9 R10	V2-V6 PolarHBondContact O-N 3.03Å; E3-V6 PolarHBondContact O-N 3.18Å; I4-V6 PolarHBondContact O-N 2.99Å; V6-F9 PolarHBondContact O-N 3.26Å; V6-R10 PolarHBondContact O-N 3.42Å
7	S	55.9	Low	55.7	Low	83 Å²	83	119.9 Å²	119.9	58%	0.58	61%	0.607	S	S	*	*	H	α-helix	trans	-66.9	-39.1	177	-70.7	0	0	0	0	112	E3 I4 R10 A11	E3-S7 PolarHBondContact O-N 3.31Å; I4-S7 PolarHBondContact O-N 3.35Å; S7-R10 PolarHBondContact O-N 3.4Å; S7-A11 PolarHBondContact O-N 2.92Å
8	Y	59.4	Low	55.5	Low	173 Å²	173	117.4 Å²	117.4	68%	0.678	60%	0.599	S	S	*	*	H	α-helix	trans	-65.2	-42.4	175.6	-157.6	-91.8	0	0	0	111.6	I4 R10 A11 V12	I4-Y8 WeakPolarHBondContact O-CB 3.24Å; I4-Y8 PolarHBondContact O-N 3.15Å; I4-Y8 VanDerWaalsContact O-N 3.08Å; Y8-R10 PolarHBondContact O-N 3.18Å; Y8-A11 PolarHBondContact O-N 3.19Å; Y8-V12 HydrophobicContact CD1-CG2 3.91Å; Y8-V12 HydrophobicContact CE1-CG2 3.77Å; Y8-V12 WeakPolarHBondContact O-CG2 3.45Å; Y8-V12 PolarHBondContact O-N 3.48Å
9	F	58.9	Low	55.1	Low	157 Å²	157	115.7 Å²	115.7	69%	0.689	59%	0.591	S	S	*	*	H	α-helix	trans	-62.9	-40.3	174.6	-105.3	-88.1	0	0	0	112.7	S5 V6 V12 H13	S5-F9 WeakPolarHBondContact O-CB 3.43Å; S5-F9 PolarHBondContact O-N 3.11Å; V6-F9 PolarHBondContact O-N 3.26Å; F9-V12 PolarHBondContact O-N 3.06Å; F9-H13 WeakPolarHBondContact O-CB 3.25Å; F9-H13 PolarHBondContact O-N 3.41Å
10	R	58.6	Low	54.8	Low	186 Å²	186	112.3 Å²	112.3	70%	0.702	58%	0.578	S	S	*	*	H	α-helix	trans	-63.5	-43.5	175.1	-102.3	-177.4	171.6	175.1	-1.9	112.2	V6 S7 Y8 H13 I14	V6-R10 PolarHBondContact O-N 3.42Å; S7-R10 PolarHBondContact O-N 3.4Å; Y8-R10 PolarHBondContact O-N 3.18Å; R10-H13 PolarHBondContact O-N 2.87Å; R10-I14 WeakPolarHBondContact O-CD1 3.3Å; R10-I14 VanDerWaalsContact O-CG1 3.25Å; R10-I14 WeakPolarHBondContact O-CG1 3.42Å; R10-I14 PolarHBondContact O-N 3.02Å
11	A	55.2	Low	54.4	Low	51 Å²	51	111.5 Å²	111.5	42%	0.421	57%	0.574	S	S	.	*	H	α-helix	trans	-63.5	-44.9	177.7	0	0	0	0	0	111.5	S7 Y8 H13 I14 V15	S7-A11 PolarHBondContact O-N 2.92Å; Y8-A11 PolarHBondContact O-N 3.19Å; A11-H13 PolarHBondContact O-N 2.99Å; A11-I14 PolarHBondContact O-N 3.21Å; A11-V15 VanDerWaalsContact O-CG2 3.28Å; A11-V15 WeakPolarHBondContact O-CG2 3.36Å; A11-V15 PolarHBondContact O-N 3.06Å
12	V	63.9	Low	54	Low	64 Å²	64	107.4 Å²	107.4	39%	0.388	55%	0.552	S	S	.	*	H	α-helix	trans	-64.3	-40.5	176.7	174.8	0	0	0	0	111.3	Y8 F9 V15 Y16	Y8-V12 HydrophobicContact CD1-CG2 3.91Å; Y8-V12 HydrophobicContact CE1-CG2 3.77Å; Y8-V12 WeakPolarHBondContact O-CG2 3.45Å; Y8-V12 PolarHBondContact O-N 3.48Å; F9-V12 PolarHBondContact O-N 3.06Å; V12-V15 PolarHBondContact O-N 3.12Å; V12-Y16 HydrophobicContact CG1-CD2 4.3Å; V12-Y16 WeakPolarHBondContact O-CB 3.45Å; V12-Y16 PolarHBondContact O-N 3.21Å
13	H	62.3	Low	53.9	Low	134 Å²	134	108.8 Å²	108.8	62%	0.62	55%	0.551	S	S	*	*	H	α-helix	trans	-66.9	-37.5	177.8	-148.4	-70.1	0	0	0	111.9	F9 R10 A11 T17	F9-H13 WeakPolarHBondContact O-CB 3.25Å; F9-H13 PolarHBondContact O-N 3.41Å; R10-H13 PolarHBondContact O-N 2.87Å; A11-H13 PolarHBondContact O-N 2.99Å; H13-T17 VanDerWaalsContact O-CB 3.32Å; H13-T17 WeakPolarHBondContact O-CB 3.49Å; H13-T17 PolarHBondContact O-N 2.88Å; H13-T17 PolarHBondContact O-OG1 3.07Å
14	I	59.1	Low	53.8	Low	104 Å²	104	107.1 Å²	107.1	53%	0.533	55%	0.548	S	S	.	.	H	α-helix	trans	-65.4	-45.9	173.5	-69.1	164.6	0	0	0	109.9	R10 A11 Y16 T17 V18	R10-I14 WeakPolarHBondContact O-CD1 3.3Å; R10-I14 VanDerWaalsContact O-CG1 3.25Å; R10-I14 WeakPolarHBondContact O-CG1 3.42Å; R10-I14 PolarHBondContact O-N 3.02Å; A11-I14 PolarHBondContact O-N 3.21Å; I14-Y16 PolarHBondContact O-N 2.86Å; I14-T17 PolarHBondContact O-N 3.06Å; I14-V18 HydrophobicContact CG2-CG2 4.23Å; I14-V18 WeakPolarHBondContact O-CB 3.44Å; I14-V18 VanDerWaalsContact O-CG2 3.24Å; I14-V18 WeakPolarHBondContact O-CG2 3.43Å; I14-V18 PolarHBondContact O-N 3.47Å
15	V	57.8	Low	53.3	Low	82 Å²	82	107.5 Å²	107.5	50%	0.497	54%	0.544	S	S	.	.	H	α-helix	trans	-63.5	-42	178.1	173.1	0	0	0	0	111.3	A11 V12 T17 V18 L19	A11-V15 VanDerWaalsContact O-CG2 3.28Å; A11-V15 WeakPolarHBondContact O-CG2 3.36Å; A11-V15 PolarHBondContact O-N 3.06Å; V12-V15 PolarHBondContact O-N 3.12Å; V15-T17 VanDerWaalsContact C-N 3.34Å; V15-T17 PolarHBondContact O-N 3.04Å; V15-V18 PolarHBondContact O-N 3.18Å; V15-L19 HydrophobicContact CG1-CD1 3.7Å; V15-L19 HydrophobicContact CG1-CG 4.29Å; V15-L19 VanDerWaalsContact O-CB 3.3Å; V15-L19 WeakPolarHBondContact O-CB 3.34Å; V15-L19 WeakPolarHBondContact O-CG 3.19Å; V15-L19 PolarHBondContact O-N 3.5Å
16	Y	53	Low	52.7	Low	162 Å²	162	111 Å²	111	64%	0.635	56%	0.556	S	S	*	*	H	α-helix	trans	-64.6	-39.1	174.2	-115.4	-86.2	0	0	0	111.7	V12 I14 S20	V12-Y16 HydrophobicContact CG1-CD2 4.3Å; V12-Y16 WeakPolarHBondContact O-CB 3.45Å; V12-Y16 PolarHBondContact O-N 3.21Å; I14-Y16 PolarHBondContact O-N 2.86Å; Y16-S20 WeakPolarHBondContact O-CA 3.39Å; Y16-S20 WeakPolarHBondContact O-CB 3.06Å; Y16-S20 PolarHBondContact O-N 3.31Å; Y16-S20 PolarHBondContact O-OG 3.06Å
17	T	53.4	Low	52	Low	63 Å²	63	109.8 Å²	109.8	39%	0.387	56%	0.561	S	S	.	*	H	α-helix	trans	-67.5	-40.3	177.4	-49.8	0	0	0	0	110.5	H13 I14 V15 S20 I21	H13-T17 VanDerWaalsContact O-CB 3.32Å; H13-T17 WeakPolarHBondContact O-CB 3.49Å; H13-T17 PolarHBondContact O-N 2.88Å; H13-T17 PolarHBondContact O-OG1 3.07Å; I14-T17 PolarHBondContact O-N 3.06Å; V15-T17 VanDerWaalsContact C-N 3.34Å; V15-T17 PolarHBondContact O-N 3.04Å; T17-S20 PolarHBondContact O-N 3.29Å; T17-I21 HydrophobicContact CG2-CD1 3.97Å; T17-I21 WeakPolarHBondContact O-CB 3.09Å; T17-I21 WeakPolarHBondContact O-CD1 3.47Å; T17-I21 WeakPolarHBondContact O-CG1 3.47Å; T17-I21 PolarHBondContact O-N 3Å
18	V	51.5	Low	51.6	Low	75 Å²	75	113.8 Å²	113.8	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-68.2	-45.3	176.9	173.5	0	0	0	0	111	I14 V15 S20 I21 E22	I14-V18 HydrophobicContact CG2-CG2 4.23Å; I14-V18 WeakPolarHBondContact O-CB 3.44Å; I14-V18 VanDerWaalsContact O-CG2 3.24Å; I14-V18 WeakPolarHBondContact O-CG2 3.43Å; I14-V18 PolarHBondContact O-N 3.47Å; V15-V18 PolarHBondContact O-N 3.18Å; V18-S20 VanDerWaalsContact C-N 3.34Å; V18-S20 PolarHBondContact O-N 3.46Å; V18-I21 PolarHBondContact O-N 3.15Å; V18-E22 PolarHBondContact O-N 2.91Å
19	L	47.9	Very low	51.4	Low	86 Å²	86	114.4 Å²	114.4	45%	0.45	58%	0.579	S	S	.	*	H	α-helix	trans	-66.1	-35.8	175.3	-74.4	169.4	0	0	0	112	V15 I21 E22 E23	V15-L19 HydrophobicContact CG1-CD1 3.7Å; V15-L19 HydrophobicContact CG1-CG 4.29Å; V15-L19 VanDerWaalsContact O-CB 3.3Å; V15-L19 WeakPolarHBondContact O-CB 3.34Å; V15-L19 WeakPolarHBondContact O-CG 3.19Å; V15-L19 PolarHBondContact O-N 3.5Å; L19-I21 VanDerWaalsContact C-N 3.34Å; L19-E22 PolarHBondContact O-N 3.26Å; L19-E23 WeakPolarHBondContact O-CB 3.42Å; L19-E23 PolarHBondContact O-N 3.33Å
20	S	49.4	Very low	52	Low	47 Å²	47	108.4 Å²	108.4	33%	0.329	56%	0.557	S	S	.	*	H	α-helix	trans	-72.5	-29.7	175.5	-60	0	0	0	0	111.7	Y16 T17 V18 N24	Y16-S20 WeakPolarHBondContact O-CA 3.39Å; Y16-S20 WeakPolarHBondContact O-CB 3.06Å; Y16-S20 PolarHBondContact O-N 3.31Å; Y16-S20 PolarHBondContact O-OG 3.06Å; T17-S20 PolarHBondContact O-N 3.29Å; V18-S20 VanDerWaalsContact C-N 3.34Å; V18-S20 PolarHBondContact O-N 3.46Å; S20-N24 VanDerWaalsContact O-CB 3.27Å; S20-N24 WeakPolarHBondContact O-CB 3.29Å; S20-N24 VanDerWaalsContact O-CG 3.25Å; S20-N24 PolarHBondContact O-N 2.93Å; S20-N24 PolarHBondContact O-ND2 2.77Å
21	I	46.6	Very low	53.2	Low	95 Å²	95	105 Å²	105	49%	0.487	55%	0.552	S	S	.	*	H	α-helix	trans	-69.6	-41.6	169.7	-70.8	163	0	0	0	109.2	T17 V18 L19 F25	T17-I21 HydrophobicContact CG2-CD1 3.97Å; T17-I21 WeakPolarHBondContact O-CB 3.09Å; T17-I21 WeakPolarHBondContact O-CD1 3.47Å; T17-I21 WeakPolarHBondContact O-CG1 3.47Å; T17-I21 PolarHBondContact O-N 3Å; V18-I21 PolarHBondContact O-N 3.15Å; L19-I21 VanDerWaalsContact C-N 3.34Å; I21-F25 HydrophobicContact CG2-CD2 4.25Å; I21-F25 HydrophobicContact CG2-CE2 4.48Å; I21-F25 WeakPolarHBondContact O-CD2 3.48Å; I21-F25 PolarHBondContact O-N 2.74Å; I21-F25 VanDerWaalsContact O-N 3.12Å
22	E	42.5	Very low	54.8	Low	120 Å²	120	106.1 Å²	106.1	56%	0.561	56%	0.555	S	S	*	*	H	α-helix	trans	-68.1	-41	176.3	-76.9	-172.5	156	0	0	113.2	V18 L19 F25 L26	V18-E22 PolarHBondContact O-N 2.91Å; L19-E22 PolarHBondContact O-N 3.26Å; E22-F25 CarbonylContact O-C 3.59Å; E22-F25 WeakPolarHBondContact O-CA 3.44Å; E22-F25 WeakPolarHBondContact O-CB 3.26Å; E22-F25 PolarHBondContact O-N 3.31Å; E22-L26 PolarHBondContact O-N 3.3Å
23	E	46.6	Very low	56.2	Low	147 Å²	147	103.1 Å²	103.1	69%	0.687	54%	0.537	S	S	*	.	H	α-helix	trans	-69.9	-34.4	177.4	-77.5	-169.3	165.5	0	0	112.1	L19 F25 L26	L19-E23 WeakPolarHBondContact O-CB 3.42Å; L19-E23 PolarHBondContact O-N 3.33Å; E23-F25 PolarHBondContact O-N 3.29Å; E23-L26 PolarHBondContact O-N 2.88Å; E23-L26 VanDerWaalsContact O-N 3.16Å
24	N	43.4	Very low	57.6	Low	134 Å²	134	99 Å²	99	72%	0.717	52%	0.519	S	S	*	.	H	α-helix	trans	-69.3	-19.7	169.9	-74.5	-45	0	0	0	112.6	S20	S20-N24 VanDerWaalsContact O-CB 3.27Å; S20-N24 WeakPolarHBondContact O-CB 3.29Å; S20-N24 VanDerWaalsContact O-CG 3.25Å; S20-N24 PolarHBondContact O-N 2.93Å; S20-N24 PolarHBondContact O-ND2 2.77Å
25	F	40.9	Very low	59.3	Low	141 Å²	141	94.1 Å²	94.1	62%	0.618	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-7.4	172.1	-102.6	-89.3	0	0	0	113.9	I21 E22 E23	I21-F25 HydrophobicContact CG2-CD2 4.25Å; I21-F25 HydrophobicContact CG2-CE2 4.48Å; I21-F25 WeakPolarHBondContact O-CD2 3.48Å; I21-F25 PolarHBondContact O-N 2.74Å; I21-F25 VanDerWaalsContact O-N 3.12Å; E22-F25 CarbonylContact O-C 3.59Å; E22-F25 WeakPolarHBondContact O-CA 3.44Å; E22-F25 WeakPolarHBondContact O-CB 3.26Å; E22-F25 PolarHBondContact O-N 3.31Å; E23-F25 PolarHBondContact O-N 3.29Å
26	L	43.1	Very low	60.9	Low	143 Å²	143	93.3 Å²	93.3	75%	0.749	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-4.3	169	-96.1	109.3	0	0	0	113.2	E22 E23 M28	E22-L26 PolarHBondContact O-N 3.3Å; E23-L26 PolarHBondContact O-N 2.88Å; E23-L26 VanDerWaalsContact O-N 3.16Å; L26-M28 PolarHBondContact O-N 3.25Å
27	G	43.4	Very low	62.7	Low	58 Å²	58	86.5 Å²	86.5	60%	0.598	47%	0.468	S	S	*	.	S	Bend	trans	-72.2	87.7	172.3	0	0	0	0	0	111.9
28	M	47.4	Very low	64.6	Low	168 Å²	168	84 Å²	84	83%	0.828	45%	0.453	S	S	*	.			trans	67.7	68.3	170.9	-52	-147.5	148.3	0	0	115.1	L26 S30	L26-M28 PolarHBondContact O-N 3.25Å; M28-S30 PolarHBondContact O-N 3.21Å
29	K	54.9	Low	66.3	Low	185 Å²	185	83 Å²	83	80%	0.804	45%	0.449	S	S	*	.			trans	-57.8	107.8	156.9	-94.7	-179	175.1	174.5	0	108.4
30	S	70.2	Confident	68.3	Low	32 Å²	32	81.4 Å²	81.4	22%	0.224	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-74.7	152.1	166.2	-177.3	0	0	0	0	108	M28 S105 G106	M28-S30 PolarHBondContact O-N 3.21Å; S30-S105 PolarHBondContact N-O 3.27Å; S30-G106 WeakPolarHBondContact O-CA 3.39Å
31	D	85.2	Confident	69.9	Low	115 Å²	115	85.7 Å²	85.7	62%	0.615	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-58.8	150.3	171.7	-73.1	-39.4	0	0	0	110.5	N55	D31-N55 VanDerWaalsContact CB-ND2 3.29Å; D31-N55 WeakPolarHBondContact CB-ND2 3.35Å; D31-N55 VanDerWaalsContact O-CB 3.25Å; D31-N55 WeakPolarHBondContact O-CB 3.37Å
32	P	88.8	Confident	71.6	Confident	73 Å²	73	86 Å²	86	47%	0.474	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-61.7	146.6	-179.2	24.7	-33.4	0	0	0	111.6	L34 G106	P32-L34 PolarHBondContact O-N 3.2Å; P32-G106 WeakPolarHBondContact CA-O 3.43Å
33	P	92.4	Very high	73.2	Confident	1 Å²	1	80.4 Å²	80.4	1%	0.006	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-59.7	135.8	179.2	-3.2	3.1	0	0	0	111.8	E54 N55 L56 V101 T103 G109 S110	P33-E54 CarbonylContact C-O 3.59Å; P33-E54 WeakPolarHBondContact CA-O 3.47Å; P33-N55 WeakPolarHBondContact CA-O 3.3Å; P33-N55 VanDerWaalsContact CB-O 3.31Å; P33-N55 WeakPolarHBondContact CB-O 3.43Å; P33-L56 HydrophobicContact CB-CD2 4.06Å; P33-V101 HydrophobicContact CB-CB 4.09Å; P33-V101 HydrophobicContact CB-CG1 4.38Å; P33-V101 HydrophobicContact CG-CB 4.37Å; P33-V101 HydrophobicContact CG-CG1 4.44Å; P33-T103 HydrophobicContact CG-CG2 3.99Å; P33-G109 CarbonylContact O-C 3.59Å; P33-G109 WeakPolarHBondContact O-CA 3.37Å; P33-S110 PolarHBondContact O-N 3.41Å
34	L	92.9	Very high	74.6	Confident	48 Å²	48	75.6 Å²	75.6	25%	0.251	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	114.2	175.7	-178.5	66.2	0	0	0	110	P32 T36 G53 E54 S110 L112	P32-L34 PolarHBondContact O-N 3.2Å; L34-T36 HydrophobicContact CD2-CG2 4.24Å; L34-T36 HydrophobicContact CG-CG2 4.19Å; L34-T36 PolarHBondContact O-N 3.44Å; L34-G53 CarbonylContact O-C 3.57Å; L34-G53 WeakPolarHBondContact O-CA 3.4Å; L34-E54 PolarHBondContact N-O 2.97Å; L34-E54 PolarHBondContact O-N 3.46Å; L34-S110 VanDerWaalsContact CD1-OG 3.23Å; L34-S110 WeakPolarHBondContact CD1-OG 3.44Å; L34-L112 HydrophobicContact CD1-CD1 4.09Å; L34-L112 HydrophobicContact CD1-CD2 4.45Å; L34-L112 HydrophobicContact CD1-CG 3.93Å; L34-L112 HydrophobicContact CD2-CD1 4.25Å; L34-L112 HydrophobicContact CG-CD1 4.29Å
35	V	93.9	Very high	76.3	Confident	1 Å²	1	71 Å²	71	1%	0.006	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	114.7	175.1	178.8	0	0	0	0	109.5	L38 I51 L56 V101 S110 L112	V35-L38 HydrophobicContact CG1-CD2 4.06Å; V35-L38 HydrophobicContact CG1-CG 4.5Å; V35-I51 HydrophobicContact CB-CG2 4.4Å; V35-I51 HydrophobicContact CG1-CG2 3.73Å; V35-I51 HydrophobicContact CG2-CG2 3.81Å; V35-L56 HydrophobicContact CG2-CD2 4.29Å; V35-V101 HydrophobicContact CG2-CG2 3.93Å; V35-S110 PolarHBondContact N-O 3.15Å; V35-L112 WeakPolarHBondContact O-CB 3.41Å; V35-L112 PolarHBondContact O-N 3.42Å
36	T	91.8	Very high	78	Confident	66 Å²	66	66.3 Å²	66.3	41%	0.405	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-21.3	-176.9	60.1	0	0	0	0	113.1	L34 R52 L112 V113	L34-T36 HydrophobicContact CD2-CG2 4.24Å; L34-T36 HydrophobicContact CG-CG2 4.19Å; L34-T36 PolarHBondContact O-N 3.44Å; T36-R52 PolarHBondContact N-O 3.24Å; T36-R52 PolarHBondContact OG1-O 2.84Å; T36-L112 HydrophobicContact CG2-CD1 4.42Å; T36-V113 WeakPolarHBondContact O-CG2 2.92Å
37	G	91.2	Very high	79.8	Confident	18 Å²	18	60.9 Å²	60.9	19%	0.186	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	145.9	-174.8	0	0	0	0	0	113.9	R52	G37-R52 PolarHBondContact N-O 3.49Å; G37-R52 PolarHBondContact O-N 2.86Å
38	L	92.5	Very high	81.8	Confident	11 Å²	11	63 Å²	63	6%	0.058	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	138.7	172.7	-60.7	173.5	0	0	0	109.6	V35 P40 K41 I50 I51 V99 V113 F115	V35-L38 HydrophobicContact CG1-CD2 4.06Å; V35-L38 HydrophobicContact CG1-CG 4.5Å; L38-P40 CarbonylContact C-O 3.6Å; L38-K41 WeakPolarHBondContact O-CG 3.49Å; L38-I50 WeakPolarHBondContact CA-O 3.39Å; L38-I51 HydrophobicContact CD2-CB 4.27Å; L38-I51 HydrophobicContact CD2-CG1 3.88Å; L38-I51 HydrophobicContact CD2-CG2 4.18Å; L38-V99 HydrophobicContact CD1-CB 4.35Å; L38-V99 HydrophobicContact CD1-CG2 3.59Å; L38-V99 HydrophobicContact CD2-CB 4.18Å; L38-V99 HydrophobicContact CD2-CG1 4.2Å; L38-V99 HydrophobicContact CD2-CG2 3.94Å; L38-V99 HydrophobicContact CG-CG2 4.42Å; L38-V113 HydrophobicContact CD1-CB 4.43Å; L38-V113 HydrophobicContact CG-CB 4.48Å; L38-F115 HydrophobicContact CD1-CB 3.85Å; L38-F115 HydrophobicContact CD1-CD2 4.33Å
39	S	88.2	Confident	83.8	Confident	55 Å²	55	55 Å²	55	39%	0.385	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	113.8	175.2	-177.1	0	0	0	0	110.7	I50	S39-I50 PolarHBondContact N-O 3.49Å; S39-I50 PolarHBondContact O-N 3.01Å
40	P	89.7	Confident	85.7	Confident	52 Å²	52	48.2 Å²	48.2	34%	0.338	28%	0.281	S	S	.	.	S	Bend	cis	-68.5	169	-6.1	30.5	-35.2	0	0	0	112.7	L38 T47 Q48 F115	L38-P40 CarbonylContact C-O 3.6Å; P40-T47 HydrophobicContact CG-CG2 3.58Å; P40-Q48 WeakPolarHBondContact CD-O 3.46Å; P40-F115 VanDerWaalsContact O-CE2 3.32Å; P40-F115 WeakPolarHBondContact O-CE2 3.43Å
41	K	83.1	Confident	86.8	Confident	136 Å²	136	46.7 Å²	46.7	59%	0.591	27%	0.27	S	S	*	.	S	Bend	trans	-87	-16.5	174.8	-68.8	-174.9	178.8	-177.4	0	113.3	L38 F115 R116	L38-K41 WeakPolarHBondContact O-CG 3.49Å; K41-F115 VanDerWaalsContact C-CD2 3.5Å; K41-F115 WeakPolarHBondContact O-CA 3.27Å; K41-F115 VanDerWaalsContact O-CD2 3.24Å; K41-F115 WeakPolarHBondContact O-CD2 3.49Å; K41-R116 PolarHBondContact O-N 2.72Å
42	E	82.4	Confident	87.2	Confident	101 Å²	101	47.9 Å²	47.9	47%	0.472	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	151	179	62.1	-174.6	174	0	0	110.5	R116 F118	E42-R116 CarbonylContact C-O 3.29Å; E42-R116 WeakPolarHBondContact CA-O 3.44Å; E42-R116 HydrophobicContact CB-CB 3.86Å; E42-R116 HydrophobicContact CB-CG 4.5Å; E42-R116 WeakPolarHBondContact CB-O 3.49Å; E42-R116 IonicContact OE2-NH1 3.31Å; E42-F118 HydrophobicContact CB-CD1 4.29Å; E42-F118 HydrophobicContact CB-CE1 3.99Å; E42-F118 HydrophobicContact CG-CE1 4Å
43	G	74.5	Confident	87.4	Confident	3 Å²	3	44.6 Å²	44.6	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.7	165.4	177.2	0	0	0	0	0	113.5	R116 I117	G43-R116 PolarHBondContact N-O 2.98Å; G43-I117 WeakPolarHBondContact O-CA 3.43Å
44	P	77.2	Confident	87.4	Confident	46 Å²	46	49.5 Å²	49.5	30%	0.299	27%	0.268	S	S	.	.			trans	-69.2	161.4	174.2	29	-35.2	0	0	0	112.8	G46 T47 F118	P44-G46 PolarHBondContact O-N 3Å; P44-T47 VanDerWaalsContact CD-OG1 3.28Å; P44-T47 WeakPolarHBondContact CD-OG1 3.4Å; P44-T47 VanDerWaalsContact O-CB 3.28Å; P44-T47 WeakPolarHBondContact O-CB 3.35Å; P44-T47 PolarHBondContact O-N 3.24Å; P44-T47 VanDerWaalsContact O-N 3.08Å; P44-T47 PolarHBondContact O-OG1 3.24Å; P44-F118 VanDerWaalsContact CA-O 3.22Å; P44-F118 WeakPolarHBondContact CA-O 3.39Å
45	P	77.9	Confident	87.3	Confident	38 Å²	38	49.4 Å²	49.4	25%	0.247	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	137.9	169.1	-21.9	32.4	0	0	0	110.9	I117	P45-I117 HydrophobicContact CG-CG2 3.94Å
46	G	76.9	Confident	87.1	Confident	42 Å²	42	49.4 Å²	49.4	43%	0.433	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-8.3	-171.9	0	0	0	0	0	114.7	P44 Q48 R88 V89	P44-G46 PolarHBondContact O-N 3Å; G46-Q48 PolarHBondContact O-N 3.4Å; G46-R88 VanDerWaalsContact O-CD 3.28Å; G46-R88 WeakPolarHBondContact O-CD 3.5Å; G46-R88 WeakPolarHBondContact O-CG 3.42Å; G46-V89 WeakPolarHBondContact CA-O 3.29Å; G46-V89 PolarHBondContact N-O 3.13Å
47	T	80.5	Confident	86.9	Confident	30 Å²	30	46.3 Å²	46.3	18%	0.184	25%	0.25	C	C	.	.			trans	-63.5	132.9	174.5	-58.6	0	0	0	0	110.7	P40 P44 I49 V89	P40-T47 HydrophobicContact CG-CG2 3.58Å; P44-T47 VanDerWaalsContact CD-OG1 3.28Å; P44-T47 WeakPolarHBondContact CD-OG1 3.4Å; P44-T47 VanDerWaalsContact O-CB 3.28Å; P44-T47 WeakPolarHBondContact O-CB 3.35Å; P44-T47 PolarHBondContact O-N 3.24Å; P44-T47 VanDerWaalsContact O-N 3.08Å; P44-T47 PolarHBondContact O-OG1 3.24Å; T47-I49 HydrophobicContact CG2-CG2 4.38Å; T47-V89 PolarHBondContact O-N 2.99Å
48	Q	86.6	Confident	86.7	Confident	103 Å²	103	50.7 Å²	50.7	48%	0.481	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121.2	170.4	-176.3	170.6	-51.1	0	0	109.6	P40 G46 I86	P40-Q48 WeakPolarHBondContact CD-O 3.46Å; G46-Q48 PolarHBondContact O-N 3.4Å; Q48-I86 HydrophobicContact CG-CG2 3.65Å
49	I	89.9	Confident	86.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	140.2	179.2	59.8	166.3	0	0	0	110.5	T47 I51 V68 I86 A87 V89 F115	T47-I49 HydrophobicContact CG2-CG2 4.38Å; I49-I51 HydrophobicContact CD1-CD1 4.22Å; I49-I51 HydrophobicContact CD1-CG1 4.09Å; I49-I51 HydrophobicContact CG1-CG1 4.39Å; I49-V68 HydrophobicContact CD1-CG1 4.32Å; I49-V68 HydrophobicContact CD1-CG2 3.88Å; I49-I86 WeakPolarHBondContact O-CA 3.42Å; I49-A87 WeakPolarHBondContact CG1-O 3.37Å; I49-A87 PolarHBondContact N-O 3.1Å; I49-A87 PolarHBondContact O-N 3.05Å; I49-V89 HydrophobicContact CD1-CG2 3.94Å; I49-V89 HydrophobicContact CG1-CG2 4.07Å; I49-V89 HydrophobicContact CG2-CG2 3.76Å; I49-F115 HydrophobicContact CG2-CD2 4.15Å; I49-F115 HydrophobicContact CG2-CE2 3.49Å; I49-F115 VanDerWaalsContact CG2-CE2 3.49Å; I49-F115 HydrophobicContact CG2-CZ 3.71Å
50	I	93	Very high	86.4	Confident	41 Å²	41	53.9 Å²	53.9	21%	0.21	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.1	170.5	-54.3	175.9	0	0	0	107.3	L38 S39 R52 K84 I86	L38-I50 WeakPolarHBondContact CA-O 3.39Å; S39-I50 PolarHBondContact N-O 3.49Å; S39-I50 PolarHBondContact O-N 3.01Å; I50-R52 HydrophobicContact CG2-CG 4.35Å; I50-K84 HydrophobicContact CG2-CD 4.22Å; I50-K84 HydrophobicContact CG2-CG 3.9Å; I50-I86 HydrophobicContact CG1-CG1 4.36Å
51	I	93.8	Very high	86.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	115.9	178.5	-54.1	170.3	0	0	0	107.4	V35 L38 I49 L56 L66 K84 I85 V99	V35-I51 HydrophobicContact CB-CG2 4.4Å; V35-I51 HydrophobicContact CG1-CG2 3.73Å; V35-I51 HydrophobicContact CG2-CG2 3.81Å; L38-I51 HydrophobicContact CD2-CB 4.27Å; L38-I51 HydrophobicContact CD2-CG1 3.88Å; L38-I51 HydrophobicContact CD2-CG2 4.18Å; I49-I51 HydrophobicContact CD1-CD1 4.22Å; I49-I51 HydrophobicContact CD1-CG1 4.09Å; I49-I51 HydrophobicContact CG1-CG1 4.39Å; I51-L56 HydrophobicContact CG2-CD1 4.38Å; I51-L66 HydrophobicContact CD1-CD1 3.5Å; I51-L66 HydrophobicContact CD1-CD2 3.89Å; I51-L66 HydrophobicContact CD1-CG 4.33Å; I51-K84 WeakPolarHBondContact O-CA 3.44Å; I51-I85 HydrophobicContact CB-CB 4.32Å; I51-I85 HydrophobicContact CD1-CG2 4.38Å; I51-I85 PolarHBondContact N-O 2.91Å; I51-I85 PolarHBondContact O-N 2.91Å; I51-V99 HydrophobicContact CD1-CG1 3.75Å; I51-V99 HydrophobicContact CG1-CG1 4.2Å; I51-V99 HydrophobicContact CG2-CG1 4.33Å
52	R	94	Very high	86.5	Confident	140 Å²	140	49.4 Å²	49.4	53%	0.528	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.4	175.3	-66.1	-177.5	179.9	156.4	0.5	109.8	T36 G37 I50 H83	T36-R52 PolarHBondContact N-O 3.24Å; T36-R52 PolarHBondContact OG1-O 2.84Å; G37-R52 PolarHBondContact N-O 3.49Å; G37-R52 PolarHBondContact O-N 2.86Å; I50-R52 HydrophobicContact CG2-CG 4.35Å; R52-H83 WeakPolarHBondContact CA-O 3.38Å
53	G	93.3	Very high	86.9	Confident	5 Å²	5	45 Å²	45	5%	0.052	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	-165.2	-174.9	0	0	0	0	0	113.8	L34 H83	L34-G53 CarbonylContact O-C 3.57Å; L34-G53 WeakPolarHBondContact O-CA 3.4Å; G53-H83 PolarHBondContact N-O 3.24Å; G53-H83 VanDerWaalsContact N-O 3.11Å; G53-H83 WeakPolarHBondContact O-CA 3.48Å; G53-H83 WeakPolarHBondContact O-CB 3.43Å; G53-H83 PolarHBondContact O-ND1 2.83Å
54	E	91.4	Very high	87.6	Confident	103 Å²	103	48.6 Å²	48.6	48%	0.481	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.7	174.6	-63	178.5	174	0	0	108.4	P33 L34 L56	P33-E54 CarbonylContact C-O 3.59Å; P33-E54 WeakPolarHBondContact CA-O 3.47Å; L34-E54 PolarHBondContact N-O 2.97Å; L34-E54 PolarHBondContact O-N 3.46Å; E54-L56 VanDerWaalsContact C-N 3.27Å; E54-L56 PolarHBondContact O-N 3.28Å
55	N	90.6	Very high	88.2	Confident	47 Å²	47	46.9 Å²	46.9	25%	0.251	26%	0.259	S	S	.	.			trans	53.8	38.7	178.5	-50.6	-45.7	0	0	0	114.4	D31 P33 G57 P82	D31-N55 VanDerWaalsContact CB-ND2 3.29Å; D31-N55 WeakPolarHBondContact CB-ND2 3.35Å; D31-N55 VanDerWaalsContact O-CB 3.25Å; D31-N55 WeakPolarHBondContact O-CB 3.37Å; P33-N55 WeakPolarHBondContact CA-O 3.3Å; P33-N55 VanDerWaalsContact CB-O 3.31Å; P33-N55 WeakPolarHBondContact CB-O 3.43Å; N55-G57 PolarHBondContact O-N 3.07Å; N55-P82 PolarHBondContact N-O 3.31Å
56	L	89.8	Confident	88.9	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.			trans	-72.9	22.4	177.6	-56.2	-172.8	0	0	0	113.6	P33 V35 I51 E54 V63 W79 P82 I85 V101	P33-L56 HydrophobicContact CB-CD2 4.06Å; V35-L56 HydrophobicContact CG2-CD2 4.29Å; I51-L56 HydrophobicContact CG2-CD1 4.38Å; E54-L56 VanDerWaalsContact C-N 3.27Å; E54-L56 PolarHBondContact O-N 3.28Å; L56-V63 WeakPolarHBondContact O-CG2 3.29Å; L56-W79 PolarHBondContact O-NE1 3.26Å; L56-P82 WeakPolarHBondContact CB-O 3.46Å; L56-P82 PolarHBondContact N-O 3.12Å; L56-I85 HydrophobicContact CB-CD1 3.83Å; L56-I85 HydrophobicContact CB-CG1 4.14Å; L56-I85 HydrophobicContact CD1-CD1 4.34Å; L56-I85 HydrophobicContact CD1-CG1 4.14Å; L56-V101 HydrophobicContact CD2-CG2 4.17Å
57	G	88.4	Confident	89.6	Confident	2 Å²	2	45.3 Å²	45.3	2%	0.021	24%	0.239	C	C	.	.			trans	98.9	157.7	-178.7	0	0	0	0	0	113.7	N55 D62 W79 P82	N55-G57 PolarHBondContact O-N 3.07Å; G57-D62 VanDerWaalsContact CA-OD2 3.24Å; G57-D62 WeakPolarHBondContact CA-OD2 3.37Å; G57-W79 WeakPolarHBondContact O-CZ2 3.47Å; G57-W79 PolarHBondContact O-NE1 2.88Å; G57-P82 WeakPolarHBondContact O-CA 3.07Å
58	L	86.1	Confident	89.9	Confident	110 Å²	110	43.9 Å²	43.9	58%	0.576	23%	0.23	S	C	*	.	S	Bend	trans	-86.2	-22.7	-177.5	-60.9	174.8	0	0	0	113.1	D62 W79	L58-D62 PolarHBondContact N-OD2 2.86Å; L58-W79 WeakPolarHBondContact O-CH2 3.14Å; L58-W79 WeakPolarHBondContact O-CZ2 3.47Å
59	S	86.1	Confident	89.8	Confident	43 Å²	43	40 Å²	40	30%	0.301	21%	0.214	S	C	.	.	S	Bend	trans	-157.5	166.9	177.8	70.4	0	0	0	0	111	S61 D62	S59-S61 PolarHBondContact O-N 3.39Å; S59-S61 VanDerWaalsContact O-N 3.13Å; S59-S61 PolarHBondContact OG-N 3.24Å; S59-S61 PolarHBondContact OG-OG 3.01Å; S59-D62 VanDerWaalsContact O-CB 3.27Å; S59-D62 WeakPolarHBondContact O-CB 3.45Å; S59-D62 PolarHBondContact O-N 3.02Å; S59-D62 PolarHBondContact OG-N 3.06Å
60	Q	88.5	Confident	89.5	Confident	89 Å²	89	45.4 Å²	45.4	42%	0.416	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-40	170.8	178.3	74.1	23.6	0	0	112.8	D62 M77 W79	Q60-D62 VanDerWaalsContact C-N 3.29Å; Q60-D62 PolarHBondContact O-N 3.1Å; Q60-M77 VanDerWaalsContact CD-CE 3.5Å; Q60-M77 PolarHBondContact NE2-O 3.1Å; Q60-W79 HydrophobicContact CB-CB 4.14Å
61	S	86.7	Confident	89	Confident	82 Å²	82	47.2 Å²	47.2	57%	0.573	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-11.2	-177.1	71.2	0	0	0	0	114.5	S59 K104	S59-S61 PolarHBondContact O-N 3.39Å; S59-S61 VanDerWaalsContact O-N 3.13Å; S59-S61 PolarHBondContact OG-N 3.24Å; S59-S61 PolarHBondContact OG-OG 3.01Å; S61-K104 WeakPolarHBondContact O-CE 3.44Å; S61-K104 PolarHBondContact O-NZ 2.66Å
62	D	89.4	Confident	88.6	Confident	12 Å²	12	51.9 Å²	51.9	6%	0.064	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-29.5	176.8	-172.4	25.4	0	0	0	111.2	G57 L58 S59 Q60 V64 T103 K104 S105	G57-D62 VanDerWaalsContact CA-OD2 3.24Å; G57-D62 WeakPolarHBondContact CA-OD2 3.37Å; L58-D62 PolarHBondContact N-OD2 2.86Å; S59-D62 VanDerWaalsContact O-CB 3.27Å; S59-D62 WeakPolarHBondContact O-CB 3.45Å; S59-D62 PolarHBondContact O-N 3.02Å; S59-D62 PolarHBondContact OG-N 3.06Å; Q60-D62 VanDerWaalsContact C-N 3.29Å; Q60-D62 PolarHBondContact O-N 3.1Å; D62-V64 PolarHBondContact O-N 3Å; D62-T103 CarbonylContact O-C 3.51Å; D62-T103 WeakPolarHBondContact O-CA 3.33Å; D62-K104 PolarHBondContact O-N 3.06Å; D62-K104 WeakPolarHBondContact OD1-CA 3.46Å; D62-K104 VanDerWaalsContact OD1-CB 3.29Å; D62-K104 WeakPolarHBondContact OD1-CB 3.26Å; D62-K104 PolarHBondContact OD1-N 3.24Å; D62-K104 VanDerWaalsContact OD1-N 3.08Å; D62-S105 PolarHBondContact OD1-N 3.41Å; D62-S105 PolarHBondContact OD1-OG 3.08Å; D62-S105 WeakPolarHBondContact OD2-CB 3.02Å; D62-S105 PolarHBondContact OD2-OG 3.11Å
63	V	90.9	Very high	88.2	Confident	9 Å²	9	45.2 Å²	45.2	6%	0.055	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	113.7	175.8	-167.8	0	0	0	0	109.7	L56 L74 M77 I85 V101 I102 T103	L56-V63 WeakPolarHBondContact O-CG2 3.29Å; V63-L74 HydrophobicContact CG1-CD1 4.49Å; V63-M77 HydrophobicContact CB-CE 3.95Å; V63-M77 HydrophobicContact CB-SD 3.71Å; V63-M77 HydrophobicContact CG1-CE 4.31Å; V63-M77 HydrophobicContact CG1-SD 3.44Å; V63-M77 WeakPolarHBondContact CG1-SD 3.41Å; V63-M77 HydrophobicContact CG2-CE 4.41Å; V63-M77 HydrophobicContact CG2-SD 4.17Å; V63-I85 HydrophobicContact CG2-CD1 4.06Å; V63-V101 HydrophobicContact CG1-CG1 3.84Å; V63-I102 CarbonylContact C-O 3.41Å; V63-T103 HydrophobicContact CG2-CG2 4.25Å
64	V	89.1	Confident	87.9	Confident	78 Å²	78	47.6 Å²	47.6	47%	0.473	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-24.3	-178.1	-167.3	0	0	0	0	112	D62 L74 I102 K104	D62-V64 PolarHBondContact O-N 3Å; V64-L74 VanDerWaalsContact O-CD2 3.24Å; V64-L74 WeakPolarHBondContact O-CD2 3.46Å; V64-I102 PolarHBondContact N-O 3.19Å; V64-K104 HydrophobicContact CG2-CB 4.3Å; V64-K104 HydrophobicContact CG2-CD 4.13Å; V64-K104 HydrophobicContact CG2-CG 3.19Å
65	G	89.9	Confident	87.6	Confident	10 Å²	10	48 Å²	48	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	141.2	-177.9	0	0	0	0	0	112.1	I102	G65-I102 PolarHBondContact N-O 2.9Å; G65-I102 VanDerWaalsContact N-O 3.14Å; G65-I102 PolarHBondContact O-N 3.3Å
66	L	93	Very high	87.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	113.7	171	172.2	64.8	0	0	0	108.4	I51 V68 D72 C73 M77 I85 A87 V99 V101	I51-L66 HydrophobicContact CD1-CD1 3.5Å; I51-L66 HydrophobicContact CD1-CD2 3.89Å; I51-L66 HydrophobicContact CD1-CG 4.33Å; L66-V68 HydrophobicContact CG-CG2 4.49Å; L66-D72 VanDerWaalsContact O-OD1 3.14Å; L66-C73 HydrophobicContact CD2-CB 4.09Å; L66-C73 HydrophobicContact CG-CB 4.19Å; L66-C73 PolarHBondContact O-N 3.11Å; L66-M77 HydrophobicContact CD2-CB 4.07Å; L66-M77 HydrophobicContact CD2-CG 3.91Å; L66-I85 HydrophobicContact CD2-CG2 4.46Å; L66-A87 HydrophobicContact CD2-CB 3.27Å; L66-V99 HydrophobicContact CD1-CG1 4.17Å; L66-V101 HydrophobicContact CD1-CG2 3.86Å
67	I	90.3	Very high	87.4	Confident	47 Å²	47	48.1 Å²	48.1	24%	0.241	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.9	-177.6	-56.6	173.6	0	0	0	108.9	M71 V99 T100 I102	I67-M71 CarbonylContact C-O 3.45Å; I67-M71 VanDerWaalsContact CA-O 3.3Å; I67-M71 WeakPolarHBondContact CA-O 3.34Å; I67-V99 CarbonylContact O-C 3.42Å; I67-V99 WeakPolarHBondContact O-CA 3.32Å; I67-T100 PolarHBondContact N-O 3.03Å; I67-T100 PolarHBondContact O-N 3.31Å; I67-I102 HydrophobicContact CD1-CD1 4.21Å
68	V	88.1	Confident	87.6	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.3	175.1	178.4	0	0	0	0	108.1	I49 L66 S70 M71 C73 V89 V99 F115	I49-V68 HydrophobicContact CD1-CG1 4.32Å; I49-V68 HydrophobicContact CD1-CG2 3.88Å; L66-V68 HydrophobicContact CG-CG2 4.49Å; V68-S70 VanDerWaalsContact C-N 3.26Å; V68-S70 PolarHBondContact O-N 3.4Å; V68-M71 PolarHBondContact N-O 2.95Å; V68-M71 PolarHBondContact O-N 2.96Å; V68-C73 HydrophobicContact CG2-CB 4.19Å; V68-V89 HydrophobicContact CG1-CG1 4.31Å; V68-V89 HydrophobicContact CG1-CG2 4.26Å; V68-V99 HydrophobicContact CB-CG2 4.48Å; V68-V99 HydrophobicContact CG1-CG2 4.09Å; V68-V99 HydrophobicContact CG2-CG1 4.15Å; V68-V99 HydrophobicContact CG2-CG2 4.24Å; V68-F115 HydrophobicContact CG1-CB 4.44Å; V68-F115 HydrophobicContact CG1-CD1 4.22Å
69	C	84.7	Confident	87.9	Confident	20 Å²	20	54.9 Å²	54.9	14%	0.135	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	44.8	-179.8	-60.3	0	0	0	0	113.3	M71 G97 D98 F115 I117	C69-M71 PolarHBondContact O-N 3.16Å; C69-G97 WeakPolarHBondContact SG-CA 3.17Å; C69-G97 PolarHBondContact SG-N 2.78Å; C69-D98 PolarHBondContact N-O 3.43Å; C69-F115 PolarHBondContact SG-O 2.98Å; C69-I117 HydrophobicContact CB-CD1 3.7Å; C69-I117 VanDerWaalsContact SG-CD1 3.58Å
70	S	83	Confident	88.1	Confident	114 Å²	114	57.8 Å²	57.8	80%	0.797	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.4	10	-177.7	-50.3	0	0	0	0	116.2	V68	V68-S70 VanDerWaalsContact C-N 3.26Å; V68-S70 PolarHBondContact O-N 3.4Å
71	M	81.6	Confident	88.2	Confident	79 Å²	79	55.3 Å²	55.3	39%	0.389	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139	175.6	-67.2	-61.2	-66.6	0	0	111.9	I67 V68 C69 C73	I67-M71 CarbonylContact C-O 3.45Å; I67-M71 VanDerWaalsContact CA-O 3.3Å; I67-M71 WeakPolarHBondContact CA-O 3.34Å; V68-M71 PolarHBondContact N-O 2.95Å; V68-M71 PolarHBondContact O-N 2.96Å; C69-M71 PolarHBondContact O-N 3.16Å; M71-C73 PolarHBondContact O-N 2.88Å
72	D	85.9	Confident	88.3	Confident	98 Å²	98	53.6 Å²	53.6	52%	0.524	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.3	175.3	-171.1	10.5	0	0	0	110.5	L66 L74 T90	L66-D72 VanDerWaalsContact O-OD1 3.14Å; D72-L74 WeakPolarHBondContact OD1-CB 3.49Å; D72-L74 PolarHBondContact OD1-N 3.2Å; D72-T90 WeakPolarHBondContact O-CG2 3.36Å; D72-T90 PolarHBondContact O-OG1 2.69Å
73	C	86.2	Confident	88.5	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.007	32%	0.322	C	S	.	.			trans	-119.3	9	179.1	-64.6	0	0	0	0	112	L66 V68 M71 A75 S76 M77 T90	L66-C73 HydrophobicContact CD2-CB 4.09Å; L66-C73 HydrophobicContact CG-CB 4.19Å; L66-C73 PolarHBondContact O-N 3.11Å; V68-C73 HydrophobicContact CG2-CB 4.19Å; M71-C73 PolarHBondContact O-N 2.88Å; C73-A75 VanDerWaalsContact C-N 3.26Å; C73-A75 PolarHBondContact O-N 3.28Å; C73-S76 PolarHBondContact O-N 2.92Å; C73-S76 VanDerWaalsContact O-N 3.12Å; C73-S76 PolarHBondContact O-OG 2.94Å; C73-M77 PolarHBondContact O-N 2.85Å; C73-T90 HydrophobicContact CB-CG2 4.5Å; C73-T90 PolarHBondContact SG-OG1 3.29Å; C73-T90 VanDerWaalsContact SG-OG1 3.37Å
74	L	87.2	Confident	88.6	Confident	55 Å²	55	60.4 Å²	60.4	29%	0.288	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-55.7	-37.8	-176.8	-173.2	71.5	0	0	0	112.9	V63 V64 D72 S76 M77	V63-L74 HydrophobicContact CG1-CD1 4.49Å; V64-L74 VanDerWaalsContact O-CD2 3.24Å; V64-L74 WeakPolarHBondContact O-CD2 3.46Å; D72-L74 WeakPolarHBondContact OD1-CB 3.49Å; D72-L74 PolarHBondContact OD1-N 3.2Å; L74-S76 PolarHBondContact O-N 3.3Å; L74-S76 VanDerWaalsContact O-N 3.13Å; L74-M77 HydrophobicContact CD1-CE 4.3Å; L74-M77 HydrophobicContact CD1-SD 4.05Å; L74-M77 VanDerWaalsContact O-CB 3.27Å; L74-M77 WeakPolarHBondContact O-CB 3.46Å; L74-M77 PolarHBondContact O-N 3.04Å
75	A	84.9	Confident	88.9	Confident	110 Å²	110	56.7 Å²	56.7	91%	0.909	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-59.5	-26.9	-179.1	0	0	0	0	0	113.9	C73	C73-A75 VanDerWaalsContact C-N 3.26Å; C73-A75 PolarHBondContact O-N 3.28Å
76	S	85.8	Confident	89.1	Confident	42 Å²	42	57.3 Å²	57.3	29%	0.294	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-101.9	0.9	-179.6	72.8	0	0	0	0	113.7	C73 L74 R88	C73-S76 PolarHBondContact O-N 2.92Å; C73-S76 VanDerWaalsContact O-N 3.12Å; C73-S76 PolarHBondContact O-OG 2.94Å; L74-S76 PolarHBondContact O-N 3.3Å; L74-S76 VanDerWaalsContact O-N 3.13Å; S76-R88 PolarHBondContact OG-N 3.06Å; S76-R88 PolarHBondContact OG-O 2.63Å
77	M	90.3	Very high	88.9	Confident	9 Å²	9	57.4 Å²	57.4	4%	0.044	31%	0.31	C	S	.	.			trans	-78.7	131.8	-170.3	-176.1	-149.6	70.8	0	0	111.8	Q60 V63 L66 C73 L74 I85 I86	Q60-M77 VanDerWaalsContact CD-CE 3.5Å; Q60-M77 PolarHBondContact NE2-O 3.1Å; V63-M77 HydrophobicContact CB-CE 3.95Å; V63-M77 HydrophobicContact CB-SD 3.71Å; V63-M77 HydrophobicContact CG1-CE 4.31Å; V63-M77 HydrophobicContact CG1-SD 3.44Å; V63-M77 WeakPolarHBondContact CG1-SD 3.41Å; V63-M77 HydrophobicContact CG2-CE 4.41Å; V63-M77 HydrophobicContact CG2-SD 4.17Å; L66-M77 HydrophobicContact CD2-CB 4.07Å; L66-M77 HydrophobicContact CD2-CG 3.91Å; C73-M77 PolarHBondContact O-N 2.85Å; L74-M77 HydrophobicContact CD1-CE 4.3Å; L74-M77 HydrophobicContact CD1-SD 4.05Å; L74-M77 VanDerWaalsContact O-CB 3.27Å; L74-M77 WeakPolarHBondContact O-CB 3.46Å; L74-M77 PolarHBondContact O-N 3.04Å; M77-I85 HydrophobicContact CG-CG2 3.4Å; M77-I85 VanDerWaalsContact CG-CG2 3.4Å; M77-I85 HydrophobicContact SD-CD1 4.46Å; M77-I85 HydrophobicContact SD-CG2 4.17Å; M77-I86 CarbonylContact C-O 3.52Å; M77-I86 WeakPolarHBondContact CA-O 3.5Å
78	R	91.7	Very high	88.8	Confident	190 Å²	190	61.1 Å²	61.1	72%	0.717	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	116.1	168.9	-62.8	-174.6	-179	-179.2	0.3	109.7	I86	R78-I86 PolarHBondContact N-O 3.38Å; R78-I86 PolarHBondContact O-N 2.98Å
79	W	92.9	Very high	88.7	Confident	63 Å²	63	61.3 Å²	61.3	24%	0.239	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	129.4	172.5	-177.8	95.8	0	0	0	108.9	L56 G57 L58 Q60 S81 P82	L56-W79 PolarHBondContact O-NE1 3.26Å; G57-W79 WeakPolarHBondContact O-CZ2 3.47Å; G57-W79 PolarHBondContact O-NE1 2.88Å; L58-W79 WeakPolarHBondContact O-CH2 3.14Å; L58-W79 WeakPolarHBondContact O-CZ2 3.47Å; Q60-W79 HydrophobicContact CB-CB 4.14Å; W79-S81 VanDerWaalsContact CE2-C 3.48Å; W79-S81 VanDerWaalsContact CZ2-C 3.43Å; W79-S81 PolarHBondContact NE1-O 3.39Å; W79-P82 HydrophobicContact CZ2-CG 4.02Å
80	E	90.8	Very high	88.4	Confident	104 Å²	104	62.4 Å²	62.4	49%	0.486	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-42.7	172.9	-81	-168.2	-167.8	0	0	111.9	K84 I86	E80-K84 VanDerWaalsContact CD-NZ 3.35Å; E80-K84 PolarHBondContact N-O 3.22Å; E80-K84 VanDerWaalsContact N-O 3.08Å; E80-K84 IonicContact OE1-NZ 2.68Å; E80-K84 PolarHBondContact OE1-NZ 3.14Å; E80-K84 VanDerWaalsContact OE2-CD 3.31Å; E80-K84 WeakPolarHBondContact OE2-CD 3.34Å; E80-K84 VanDerWaalsContact OE2-CE 3.29Å; E80-K84 WeakPolarHBondContact OE2-CE 2.98Å; E80-K84 IonicContact OE2-NZ 3.67Å; E80-K84 PolarHBondContact OE2-NZ 3.5Å; E80-I86 WeakPolarHBondContact OE1-CD1 3.43Å
81	S	90	Very high	87.8	Confident	38 Å²	38	65.2 Å²	65.2	27%	0.266	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	168.1	-178.4	76.5	0	0	0	0	110.7	W79 H83 K84	W79-S81 VanDerWaalsContact CE2-C 3.48Å; W79-S81 VanDerWaalsContact CZ2-C 3.43Å; W79-S81 PolarHBondContact NE1-O 3.39Å; S81-H83 PolarHBondContact O-N 3.1Å; S81-H83 PolarHBondContact OG-N 3.2Å; S81-K84 PolarHBondContact N-O 3.16Å; S81-K84 PolarHBondContact O-N 3.39Å; S81-K84 VanDerWaalsContact O-O 3.11Å; S81-K84 PolarHBondContact OG-N 3.14Å
82	P	89	Confident	87.2	Confident	46 Å²	46	62.3 Å²	62.3	30%	0.299	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-10.2	174.3	-24	34.5	0	0	0	114.5	N55 L56 G57 W79	N55-P82 PolarHBondContact N-O 3.31Å; L56-P82 WeakPolarHBondContact CB-O 3.46Å; L56-P82 PolarHBondContact N-O 3.12Å; G57-P82 WeakPolarHBondContact O-CA 3.07Å; W79-P82 HydrophobicContact CZ2-CG 4.02Å
83	H	93.2	Very high	86.4	Confident	107 Å²	107	66.6 Å²	66.6	50%	0.495	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-3.5	179.7	-58.1	-66.4	0	0	0	114.1	R52 G53 S81	R52-H83 WeakPolarHBondContact CA-O 3.38Å; G53-H83 PolarHBondContact N-O 3.24Å; G53-H83 VanDerWaalsContact N-O 3.11Å; G53-H83 WeakPolarHBondContact O-CA 3.48Å; G53-H83 WeakPolarHBondContact O-CB 3.43Å; G53-H83 PolarHBondContact O-ND1 2.83Å; S81-H83 PolarHBondContact O-N 3.1Å; S81-H83 PolarHBondContact OG-N 3.2Å
84	K	94.1	Very high	85.7	Confident	56 Å²	56	69.5 Å²	69.5	24%	0.243	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	123.2	-172.9	-170.1	179.7	168.6	-152.7	0	112.9	I50 I51 E80 S81	I50-K84 HydrophobicContact CG2-CD 4.22Å; I50-K84 HydrophobicContact CG2-CG 3.9Å; I51-K84 WeakPolarHBondContact O-CA 3.44Å; E80-K84 VanDerWaalsContact CD-NZ 3.35Å; E80-K84 PolarHBondContact N-O 3.22Å; E80-K84 VanDerWaalsContact N-O 3.08Å; E80-K84 IonicContact OE1-NZ 2.68Å; E80-K84 PolarHBondContact OE1-NZ 3.14Å; E80-K84 VanDerWaalsContact OE2-CD 3.31Å; E80-K84 WeakPolarHBondContact OE2-CD 3.34Å; E80-K84 VanDerWaalsContact OE2-CE 3.29Å; E80-K84 WeakPolarHBondContact OE2-CE 2.98Å; E80-K84 IonicContact OE2-NZ 3.67Å; E80-K84 PolarHBondContact OE2-NZ 3.5Å; S81-K84 PolarHBondContact N-O 3.16Å; S81-K84 PolarHBondContact O-N 3.39Å; S81-K84 VanDerWaalsContact O-O 3.11Å; S81-K84 PolarHBondContact OG-N 3.14Å
85	I	94.8	Very high	85.2	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141	169.8	-65.5	177.6	0	0	0	108.6	I51 L56 V63 L66 M77 V101	I51-I85 HydrophobicContact CB-CB 4.32Å; I51-I85 HydrophobicContact CD1-CG2 4.38Å; I51-I85 PolarHBondContact N-O 2.91Å; I51-I85 PolarHBondContact O-N 2.91Å; L56-I85 HydrophobicContact CB-CD1 3.83Å; L56-I85 HydrophobicContact CB-CG1 4.14Å; L56-I85 HydrophobicContact CD1-CD1 4.34Å; L56-I85 HydrophobicContact CD1-CG1 4.14Å; V63-I85 HydrophobicContact CG2-CD1 4.06Å; L66-I85 HydrophobicContact CD2-CG2 4.46Å; M77-I85 HydrophobicContact CG-CG2 3.4Å; M77-I85 VanDerWaalsContact CG-CG2 3.4Å; M77-I85 HydrophobicContact SD-CD1 4.46Å; M77-I85 HydrophobicContact SD-CG2 4.17Å; I85-V101 HydrophobicContact CD1-CG1 4Å; I85-V101 HydrophobicContact CD1-CG2 4.43Å
86	I	92.7	Very high	85.1	Confident	23 Å²	23	68.7 Å²	68.7	12%	0.118	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.9	172.7	-56.7	180	0	0	0	107.7	Q48 I49 I50 M77 R78 E80	Q48-I86 HydrophobicContact CG-CG2 3.65Å; I49-I86 WeakPolarHBondContact O-CA 3.42Å; I50-I86 HydrophobicContact CG1-CG1 4.36Å; M77-I86 CarbonylContact C-O 3.52Å; M77-I86 WeakPolarHBondContact CA-O 3.5Å; R78-I86 PolarHBondContact N-O 3.38Å; R78-I86 PolarHBondContact O-N 2.98Å; E80-I86 WeakPolarHBondContact OE1-CD1 3.43Å
87	A	90.3	Very high	85.1	Confident	2 Å²	2	67.2 Å²	67.2	2%	0.017	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	161.4	176.8	0	0	0	0	0	110.9	I49 L66	I49-A87 WeakPolarHBondContact CG1-O 3.37Å; I49-A87 PolarHBondContact N-O 3.1Å; I49-A87 PolarHBondContact O-N 3.05Å; L66-A87 HydrophobicContact CD2-CB 3.27Å
88	R	88.8	Confident	85	Confident	126 Å²	126	70.4 Å²	70.4	48%	0.475	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.5	175.1	-165.8	170.9	-72.6	-178.8	-4.2	109.1	G46 S76 T90	G46-R88 VanDerWaalsContact O-CD 3.28Å; G46-R88 WeakPolarHBondContact O-CD 3.5Å; G46-R88 WeakPolarHBondContact O-CG 3.42Å; S76-R88 PolarHBondContact OG-N 3.06Å; S76-R88 PolarHBondContact OG-O 2.63Å; R88-T90 PolarHBondContact O-N 3.3Å
89	V	85.1	Confident	84.9	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.03	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-65.4	124.5	-179	-178.1	0	0	0	0	109.1	G46 T47 I49 V68 F115 I117	G46-V89 WeakPolarHBondContact CA-O 3.29Å; G46-V89 PolarHBondContact N-O 3.13Å; T47-V89 PolarHBondContact O-N 2.99Å; I49-V89 HydrophobicContact CD1-CG2 3.94Å; I49-V89 HydrophobicContact CG1-CG2 4.07Å; I49-V89 HydrophobicContact CG2-CG2 3.76Å; V68-V89 HydrophobicContact CG1-CG1 4.31Å; V68-V89 HydrophobicContact CG1-CG2 4.26Å; V89-F115 HydrophobicContact CG1-CE1 4.31Å; V89-F115 HydrophobicContact CG2-CD1 4.28Å; V89-F115 HydrophobicContact CG2-CE1 3.72Å; V89-F115 HydrophobicContact CG2-CZ 4.09Å; V89-I117 HydrophobicContact CG1-CD1 3.63Å; V89-I117 HydrophobicContact CG1-CG1 4.36Å
90	T	77.2	Confident	84.9	Confident	43 Å²	43	59.1 Å²	59.1	26%	0.264	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-76.1	167.2	178.2	51.6	0	0	0	0	111.4	D72 C73 R88 S92	D72-T90 WeakPolarHBondContact O-CG2 3.36Å; D72-T90 PolarHBondContact O-OG1 2.69Å; C73-T90 HydrophobicContact CB-CG2 4.5Å; C73-T90 PolarHBondContact SG-OG1 3.29Å; C73-T90 VanDerWaalsContact SG-OG1 3.37Å; R88-T90 PolarHBondContact O-N 3.3Å; T90-S92 PolarHBondContact O-N 3.34Å; T90-S92 VanDerWaalsContact O-N 3.11Å
91	Q	72.2	Confident	85	Confident	173 Å²	173	54.1 Å²	54.1	81%	0.808	29%	0.287	S	S	*	.	S	Bend	trans	-59	116.7	178.1	-76.9	-177.1	-13.5	0	0	110.6
92	S	67.8	Low	85.1	Confident	18 Å²	18	54.5 Å²	54.5	13%	0.126	29%	0.286	C	S	.	.			trans	-139	166.9	178.9	80.9	0	0	0	0	110.9	T90 I117	T90-S92 PolarHBondContact O-N 3.34Å; T90-S92 VanDerWaalsContact O-N 3.11Å; S92-I117 WeakPolarHBondContact OG-CD1 3.26Å
93	K	70.4	Confident	85.2	Confident	188 Å²	188	52.5 Å²	52.5	82%	0.817	27%	0.273	S	S	*	.			trans	-67.7	150.6	169.9	-64.3	-177.6	179.9	-178.9	0	110.3
94	A	70.2	Confident	84.8	Confident	62 Å²	62	53.5 Å²	53.5	51%	0.512	28%	0.276	S	S	.	.	S	Bend	trans	-60.9	137	169.7	0	0	0	0	0	110.2	I117	A94-I117 CarbonylContact C-O 3.55Å; A94-I117 VanDerWaalsContact CA-O 3.25Å; A94-I117 WeakPolarHBondContact CA-O 3.44Å
95	G	76.9	Confident	84.4	Confident	36 Å²	36	51.9 Å²	51.9	37%	0.371	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	161.5	172.1	-174.2	0	0	0	0	0	112.9	I117	G95-I117 PolarHBondContact N-O 3Å; G95-I117 PolarHBondContact O-N 2.93Å
96	I	83.9	Confident	83.8	Confident	111 Å²	111	52.6 Å²	52.6	57%	0.569	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	133.3	173.1	-59.6	171.6	0	0	0	107.2	Q114 F115 R116	I96-Q114 HydrophobicContact CG2-CB 3.47Å; I96-Q114 VanDerWaalsContact CG2-CB 3.47Å; I96-Q114 HydrophobicContact CG2-CG 4.11Å; I96-Q114 VanDerWaalsContact CG2-OE1 3.29Å; I96-F115 WeakPolarHBondContact CA-O 3.16Å; I96-R116 HydrophobicContact CG1-CB 4.14Å; I96-R116 HydrophobicContact CG1-CG 3.94Å
97	G	83.8	Confident	83.6	Confident	11 Å²	11	53 Å²	53	11%	0.113	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	159.9	179	0	0	0	0	0	114.2	C69 Q114 F115	C69-G97 WeakPolarHBondContact SG-CA 3.17Å; C69-G97 PolarHBondContact SG-N 2.78Å; G97-Q114 WeakPolarHBondContact O-CA 3.39Å; G97-F115 PolarHBondContact N-O 3.09Å; G97-F115 PolarHBondContact O-N 3.44Å
98	D	88.8	Confident	83.6	Confident	77 Å²	77	61.2 Å²	61.2	41%	0.412	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	153.9	-177.1	-60.9	-31.2	0	0	0	111.9	C69 C111 Q114	C69-D98 PolarHBondContact N-O 3.43Å; D98-C111 HydrophobicContact CB-CB 4.17Å; D98-Q114 WeakPolarHBondContact OD1-CG 3.4Å; D98-Q114 PolarHBondContact OD1-NE2 3.48Å
99	V	91	Very high	83.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	107.1	172.5	179.9	0	0	0	0	109.5	L38 I51 L66 I67 V68 C111 F115	L38-V99 HydrophobicContact CD1-CB 4.35Å; L38-V99 HydrophobicContact CD1-CG2 3.59Å; L38-V99 HydrophobicContact CD2-CB 4.18Å; L38-V99 HydrophobicContact CD2-CG1 4.2Å; L38-V99 HydrophobicContact CD2-CG2 3.94Å; L38-V99 HydrophobicContact CG-CG2 4.42Å; I51-V99 HydrophobicContact CD1-CG1 3.75Å; I51-V99 HydrophobicContact CG1-CG1 4.2Å; I51-V99 HydrophobicContact CG2-CG1 4.33Å; L66-V99 HydrophobicContact CD1-CG1 4.17Å; I67-V99 CarbonylContact O-C 3.42Å; I67-V99 WeakPolarHBondContact O-CA 3.32Å; V68-V99 HydrophobicContact CB-CG2 4.48Å; V68-V99 HydrophobicContact CG1-CG2 4.09Å; V68-V99 HydrophobicContact CG2-CG1 4.15Å; V68-V99 HydrophobicContact CG2-CG2 4.24Å; V99-C111 PolarHBondContact N-SG 3.49Å; V99-C111 VanDerWaalsContact N-SG 3.35Å; V99-C111 WeakPolarHBondContact O-CB 3.38Å; V99-C111 PolarHBondContact O-SG 3.46Å; V99-F115 HydrophobicContact CG2-CB 4.08Å
100	T	91.8	Very high	83.7	Confident	15 Å²	15	58.6 Å²	58.6	9%	0.092	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.7	-176.9	-50.3	0	0	0	0	110.4	I67 I102 R108 G109	I67-T100 PolarHBondContact N-O 3.03Å; I67-T100 PolarHBondContact O-N 3.31Å; T100-I102 HydrophobicContact CG2-CG1 4.46Å; T100-R108 HydrophobicContact CG2-CG 3.79Å; T100-G109 WeakPolarHBondContact CG2-O 3.43Å
101	V	92.4	Very high	84.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.8	171.9	-175.6	0	0	0	0	108.9	P33 V35 L56 V63 L66 I85 T103 G109	P33-V101 HydrophobicContact CB-CB 4.09Å; P33-V101 HydrophobicContact CB-CG1 4.38Å; P33-V101 HydrophobicContact CG-CB 4.37Å; P33-V101 HydrophobicContact CG-CG1 4.44Å; V35-V101 HydrophobicContact CG2-CG2 3.93Å; L56-V101 HydrophobicContact CD2-CG2 4.17Å; V63-V101 HydrophobicContact CG1-CG1 3.84Å; L66-V101 HydrophobicContact CD1-CG2 3.86Å; I85-V101 HydrophobicContact CD1-CG1 4Å; I85-V101 HydrophobicContact CD1-CG2 4.43Å; V101-T103 HydrophobicContact CG1-CG2 4.2Å; V101-G109 WeakPolarHBondContact O-CA 3.12Å; V101-G109 PolarHBondContact O-N 3.37Å
102	I	91.9	Very high	85	Confident	46 Å²	46	55.6 Å²	55.6	24%	0.236	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119.2	178.3	-53.4	175.8	0	0	0	108.1	V63 V64 G65 I67 T100 G107 R108	V63-I102 CarbonylContact C-O 3.41Å; V64-I102 PolarHBondContact N-O 3.19Å; G65-I102 PolarHBondContact N-O 2.9Å; G65-I102 VanDerWaalsContact N-O 3.14Å; G65-I102 PolarHBondContact O-N 3.3Å; I67-I102 HydrophobicContact CD1-CD1 4.21Å; T100-I102 HydrophobicContact CG2-CG1 4.46Å; I102-G107 WeakPolarHBondContact CA-O 3.47Å; I102-R108 HydrophobicContact CG1-CB 4.35Å; I102-R108 HydrophobicContact CG1-CG 4.15Å
103	T	91	Very high	86	Confident	4 Å²	4	56.1 Å²	56.1	3%	0.025	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	157.3	-180	59.2	0	0	0	0	111.5	P33 D62 V63 V101 G106 G107	P33-T103 HydrophobicContact CG-CG2 3.99Å; D62-T103 CarbonylContact O-C 3.51Å; D62-T103 WeakPolarHBondContact O-CA 3.33Å; V63-T103 HydrophobicContact CG2-CG2 4.25Å; V101-T103 HydrophobicContact CG1-CG2 4.2Å; T103-G106 WeakPolarHBondContact OG1-CA 3.15Å; T103-G106 PolarHBondContact OG1-N 3.46Å; T103-G107 PolarHBondContact N-O 3.46Å; T103-G107 VanDerWaalsContact O-CA 3.25Å; T103-G107 WeakPolarHBondContact O-CA 3.3Å; T103-G107 PolarHBondContact O-N 2.89Å; T103-G107 PolarHBondContact OG1-N 2.95Å
104	K	86.3	Confident	86.9	Confident	128 Å²	128	52.1 Å²	52.1	56%	0.557	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-38.3	172.9	-59.5	175.7	178.9	156.1	0	110.4	S61 D62 V64	S61-K104 WeakPolarHBondContact O-CE 3.44Å; S61-K104 PolarHBondContact O-NZ 2.66Å; D62-K104 PolarHBondContact O-N 3.06Å; D62-K104 WeakPolarHBondContact OD1-CA 3.46Å; D62-K104 VanDerWaalsContact OD1-CB 3.29Å; D62-K104 WeakPolarHBondContact OD1-CB 3.26Å; D62-K104 PolarHBondContact OD1-N 3.24Å; D62-K104 VanDerWaalsContact OD1-N 3.08Å; V64-K104 HydrophobicContact CG2-CB 4.3Å; V64-K104 HydrophobicContact CG2-CD 4.13Å; V64-K104 HydrophobicContact CG2-CG 3.19Å
105	S	84.8	Confident	87.7	Confident	21 Å²	21	49.1 Å²	49.1	15%	0.147	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-42.3	-176.6	58.9	0	0	0	0	114.7	S30 D62	S30-S105 PolarHBondContact N-O 3.27Å; D62-S105 PolarHBondContact OD1-N 3.41Å; D62-S105 PolarHBondContact OD1-OG 3.08Å; D62-S105 WeakPolarHBondContact OD2-CB 3.02Å; D62-S105 PolarHBondContact OD2-OG 3.11Å
106	G	83.4	Confident	87.9	Confident	16 Å²	16	53.7 Å²	53.7	17%	0.165	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-5.1	-173.7	0	0	0	0	0	114.8	S30 P32 T103	S30-G106 WeakPolarHBondContact O-CA 3.39Å; P32-G106 WeakPolarHBondContact CA-O 3.43Å; T103-G106 WeakPolarHBondContact OG1-CA 3.15Å; T103-G106 PolarHBondContact OG1-N 3.46Å
107	G	88.7	Confident	87.7	Confident	30 Å²	30	48.5 Å²	48.5	31%	0.309	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.3	-150	-179.8	0	0	0	0	0	113.2	I102 T103 G109	I102-G107 WeakPolarHBondContact CA-O 3.47Å; T103-G107 PolarHBondContact N-O 3.46Å; T103-G107 VanDerWaalsContact O-CA 3.25Å; T103-G107 WeakPolarHBondContact O-CA 3.3Å; T103-G107 PolarHBondContact O-N 2.89Å; T103-G107 PolarHBondContact OG1-N 2.95Å; G107-G109 PolarHBondContact O-N 2.97Å
108	R	89.5	Confident	87.1	Confident	175 Å²	175	51.6 Å²	51.6	66%	0.66	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.3	-177.5	-178.9	171.2	-177.5	166.4	2.7	110.4	T100 I102	T100-R108 HydrophobicContact CG2-CG 3.79Å; I102-R108 HydrophobicContact CG1-CB 4.35Å; I102-R108 HydrophobicContact CG1-CG 4.15Å
109	G	88.1	Confident	86	Confident	10 Å²	10	52 Å²	52	10%	0.103	26%	0.262	C	S	.	.			trans	-77	173.7	177.3	0	0	0	0	0	114.4	P33 T100 V101 G107	P33-G109 CarbonylContact O-C 3.59Å; P33-G109 WeakPolarHBondContact O-CA 3.37Å; T100-G109 WeakPolarHBondContact CG2-O 3.43Å; V101-G109 WeakPolarHBondContact O-CA 3.12Å; V101-G109 PolarHBondContact O-N 3.37Å; G107-G109 PolarHBondContact O-N 2.97Å
110	S	88.8	Confident	84.6	Confident	66 Å²	66	54.3 Å²	54.3	46%	0.462	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	161	175.1	62.5	0	0	0	0	111.2	P33 L34 V35	P33-S110 PolarHBondContact O-N 3.41Å; L34-S110 VanDerWaalsContact CD1-OG 3.23Å; L34-S110 WeakPolarHBondContact CD1-OG 3.44Å; V35-S110 PolarHBondContact N-O 3.15Å
111	C	89.3	Confident	82.8	Confident	29 Å²	29	60.7 Å²	60.7	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.5	-175.6	-157.7	0	0	0	0	110.8	D98 V99 V113	D98-C111 HydrophobicContact CB-CB 4.17Å; V99-C111 PolarHBondContact N-SG 3.49Å; V99-C111 VanDerWaalsContact N-SG 3.35Å; V99-C111 WeakPolarHBondContact O-CB 3.38Å; V99-C111 PolarHBondContact O-SG 3.46Å; C111-V113 PolarHBondContact SG-O 3.22Å
112	L	87.1	Confident	81	Confident	125 Å²	125	62.3 Å²	62.3	65%	0.654	32%	0.322	S	S	*	.	S	Bend	trans	-94	-11.3	173.2	-63.1	174.7	0	0	0	112.8	L34 V35 T36	L34-L112 HydrophobicContact CD1-CD1 4.09Å; L34-L112 HydrophobicContact CD1-CD2 4.45Å; L34-L112 HydrophobicContact CD1-CG 3.93Å; L34-L112 HydrophobicContact CD2-CD1 4.25Å; L34-L112 HydrophobicContact CG-CD1 4.29Å; V35-L112 WeakPolarHBondContact O-CB 3.41Å; V35-L112 PolarHBondContact O-N 3.42Å; T36-L112 HydrophobicContact CG2-CD1 4.42Å
113	V	88	Confident	78.9	Confident	28 Å²	28	61.6 Å²	61.6	17%	0.17	33%	0.325	C	S	.	.	S	Bend	trans	-135.2	128.3	-170.5	-137.4	0	0	0	0	110.6	T36 L38 C111	T36-V113 WeakPolarHBondContact O-CG2 2.92Å; L38-V113 HydrophobicContact CD1-CB 4.43Å; L38-V113 HydrophobicContact CG-CB 4.48Å; C111-V113 PolarHBondContact SG-O 3.22Å
114	Q	89	Confident	77	Confident	104 Å²	104	68 Å²	68	49%	0.486	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	144.2	177.5	-73.1	172.8	-22	0	0	111.3	I96 G97 D98	I96-Q114 HydrophobicContact CG2-CB 3.47Å; I96-Q114 VanDerWaalsContact CG2-CB 3.47Å; I96-Q114 HydrophobicContact CG2-CG 4.11Å; I96-Q114 VanDerWaalsContact CG2-OE1 3.29Å; G97-Q114 WeakPolarHBondContact O-CA 3.39Å; D98-Q114 WeakPolarHBondContact OD1-CG 3.4Å; D98-Q114 PolarHBondContact OD1-NE2 3.48Å
115	F	87.9	Confident	75.5	Confident	0 Å²	0	70 Å²	70	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	137.5	168.8	-167.8	-109.1	0	0	0	109.3	L38 P40 K41 I49 V68 C69 V89 I96 G97 V99 I117	L38-F115 HydrophobicContact CD1-CB 3.85Å; L38-F115 HydrophobicContact CD1-CD2 4.33Å; P40-F115 VanDerWaalsContact O-CE2 3.32Å; P40-F115 WeakPolarHBondContact O-CE2 3.43Å; K41-F115 VanDerWaalsContact C-CD2 3.5Å; K41-F115 WeakPolarHBondContact O-CA 3.27Å; K41-F115 VanDerWaalsContact O-CD2 3.24Å; K41-F115 WeakPolarHBondContact O-CD2 3.49Å; I49-F115 HydrophobicContact CG2-CD2 4.15Å; I49-F115 HydrophobicContact CG2-CE2 3.49Å; I49-F115 VanDerWaalsContact CG2-CE2 3.49Å; I49-F115 HydrophobicContact CG2-CZ 3.71Å; V68-F115 HydrophobicContact CG1-CB 4.44Å; V68-F115 HydrophobicContact CG1-CD1 4.22Å; C69-F115 PolarHBondContact SG-O 2.98Å; V89-F115 HydrophobicContact CG1-CE1 4.31Å; V89-F115 HydrophobicContact CG2-CD1 4.28Å; V89-F115 HydrophobicContact CG2-CE1 3.72Å; V89-F115 HydrophobicContact CG2-CZ 4.09Å; I96-F115 WeakPolarHBondContact CA-O 3.16Å; G97-F115 PolarHBondContact N-O 3.09Å; G97-F115 PolarHBondContact O-N 3.44Å; V99-F115 HydrophobicContact CG2-CB 4.08Å; F115-I117 HydrophobicContact CD1-CD1 4.09Å; F115-I117 HydrophobicContact CD1-CG1 3.51Å; F115-I117 HydrophobicContact CE1-CD1 4.34Å; F115-I117 HydrophobicContact CE1-CG1 3.62Å
116	R	81.4	Confident	74	Confident	131 Å²	131	74.5 Å²	74.5	49%	0.494	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.7	174.9	-179.2	-176.2	-178	-174.4	3.8	110.8	K41 E42 G43 I96	K41-R116 PolarHBondContact O-N 2.72Å; E42-R116 CarbonylContact C-O 3.29Å; E42-R116 WeakPolarHBondContact CA-O 3.44Å; E42-R116 HydrophobicContact CB-CB 3.86Å; E42-R116 HydrophobicContact CB-CG 4.5Å; E42-R116 WeakPolarHBondContact CB-O 3.49Å; E42-R116 IonicContact OE2-NH1 3.31Å; G43-R116 PolarHBondContact N-O 2.98Å; I96-R116 HydrophobicContact CG1-CB 4.14Å; I96-R116 HydrophobicContact CG1-CG 3.94Å
117	I	78.7	Confident	72.6	Confident	3 Å²	3	80.5 Å²	80.5	2%	0.015	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.9	176.3	-57.4	178.5	0	0	0	108.3	G43 P45 C69 V89 S92 A94 G95 F115	G43-I117 WeakPolarHBondContact O-CA 3.43Å; P45-I117 HydrophobicContact CG-CG2 3.94Å; C69-I117 HydrophobicContact CB-CD1 3.7Å; C69-I117 VanDerWaalsContact SG-CD1 3.58Å; V89-I117 HydrophobicContact CG1-CD1 3.63Å; V89-I117 HydrophobicContact CG1-CG1 4.36Å; S92-I117 WeakPolarHBondContact OG-CD1 3.26Å; A94-I117 CarbonylContact C-O 3.55Å; A94-I117 VanDerWaalsContact CA-O 3.25Å; A94-I117 WeakPolarHBondContact CA-O 3.44Å; G95-I117 PolarHBondContact N-O 3Å; G95-I117 PolarHBondContact O-N 2.93Å; F115-I117 HydrophobicContact CD1-CD1 4.09Å; F115-I117 HydrophobicContact CD1-CG1 3.51Å; F115-I117 HydrophobicContact CE1-CD1 4.34Å; F115-I117 HydrophobicContact CE1-CG1 3.62Å
118	F	72.5	Confident	71	Confident	76 Å²	76	81.9 Å²	81.9	33%	0.333	43%	0.43	S	S	.	.			trans	-129.9	146.4	172.5	63.8	-90.8	0	0	0	109.3	E42 P44	E42-F118 HydrophobicContact CB-CD1 4.29Å; E42-F118 HydrophobicContact CB-CE1 3.99Å; E42-F118 HydrophobicContact CG-CE1 4Å; P44-F118 VanDerWaalsContact CA-O 3.22Å; P44-F118 WeakPolarHBondContact CA-O 3.39Å
119	H	64.9	Low	69.2	Low	86 Å²	86	76.3 Å²	76.3	40%	0.398	42%	0.422	S	S	.	.			trans	-83.6	126.8	170.4	-67.8	174	0	0	0	108.5	L121	H119-L121 PolarHBondContact O-N 3.4Å
120	A	60.8	Low	67.6	Low	47 Å²	47	80.4 Å²	80.4	39%	0.388	44%	0.444	S	S	.	.			trans	-67.5	116.7	176.7	0	0	0	0	0	109.2	I122	A120-I122 PolarHBondContact O-N 3.46Å
121	L	54.3	Low	65.9	Low	149 Å²	149	89.4 Å²	89.4	78%	0.78	47%	0.469	S	S	*	.			trans	-79.1	102.2	170.8	-70.8	164.6	0	0	0	107.8	H119 F137	H119-L121 PolarHBondContact O-N 3.4Å; L121-F137 HydrophobicContact CD2-CZ 4.27Å
122	I	54.5	Low	64.4	Low	35 Å²	35	90.6 Å²	90.6	18%	0.179	48%	0.475	C	S	.	.			trans	-89.8	123.1	172.2	-67.4	151.6	0	0	0	106.8	A120 Q126 V132	A120-I122 PolarHBondContact O-N 3.46Å; I122-Q126 HydrophobicContact CG2-CB 3.76Å; I122-Q126 HydrophobicContact CG2-CG 4.06Å; I122-Q126 WeakPolarHBondContact CG2-O 3.28Å; I122-V132 HydrophobicContact CD1-CB 4Å; I122-V132 HydrophobicContact CD1-CG1 4.1Å; I122-V132 HydrophobicContact CD1-CG2 3.14Å
123	G	47.2	Very low	62.7	Low	30 Å²	30	89.6 Å²	89.6	31%	0.309	47%	0.47	S	S	.	.			trans	-62.1	156.1	175.9	0	0	0	0	0	111.3	L125 Q126	G123-L125 PolarHBondContact O-N 3.11Å; G123-Q126 WeakPolarHBondContact O-CB 3.45Å; G123-Q126 PolarHBondContact O-N 3.07Å
124	P	52.7	Low	61	Low	140 Å²	140	95.1 Å²	95.1	91%	0.909	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.4	-178.2	23	-33.4	0	0	0	114.4
125	L	53.3	Low	59.2	Low	168 Å²	168	93.8 Å²	93.8	88%	0.88	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-1.2	176.6	-65.3	170.5	0	0	0	113.1	G123	G123-L125 PolarHBondContact O-N 3.11Å
126	Q	54.6	Low	57.3	Low	117 Å²	117	99 Å²	99	55%	0.547	52%	0.521	S	S	.	.	S	Bend	trans	-89.1	124	-175.6	-176.6	176.2	8	0	0	109.7	I122 G123	I122-Q126 HydrophobicContact CG2-CB 3.76Å; I122-Q126 HydrophobicContact CG2-CG 4.06Å; I122-Q126 WeakPolarHBondContact CG2-O 3.28Å; G123-Q126 WeakPolarHBondContact O-CB 3.45Å; G123-Q126 PolarHBondContact O-N 3.07Å
127	E	53.2	Low	55.8	Low	142 Å²	142	96.6 Å²	96.6	66%	0.664	51%	0.514	S	S	*	.			trans	-69.7	137.8	-179.7	-62.7	-176.1	165.9	0	0	111.6	F213	E127-F213 HydrophobicContact CB-CD2 4.27Å; E127-F213 HydrophobicContact CB-CE2 3.96Å
128	S	55.1	Low	54.4	Low	58 Å²	58	100.8 Å²	100.8	41%	0.406	54%	0.539	S	S	.	.			trans	-129.3	135.1	174.6	179.6	0	0	0	0	110.3	V130	S128-V130 VanDerWaalsContact C-N 3.31Å; S128-V130 PolarHBondContact OG-N 3.47Å; S128-V130 PolarHBondContact OG-O 3.42Å
129	A	53	Low	53.1	Low	59 Å²	59	102.4 Å²	102.4	49%	0.488	55%	0.552	S	S	.	*	S	Bend	trans	-82.4	-9.8	174.3	0	0	0	0	0	113.3	N217	A129-N217 WeakPolarHBondContact CB-OD1 3.34Å
130	V	53.2	Low	52.1	Low	95 Å²	95	102.5 Å²	102.5	58%	0.576	56%	0.562	S	S	*	*	S	Bend	trans	-120.3	140.1	-179.4	-174.8	0	0	0	0	109.2	S128 V132	S128-V130 VanDerWaalsContact C-N 3.31Å; S128-V130 PolarHBondContact OG-N 3.47Å; S128-V130 PolarHBondContact OG-O 3.42Å; V130-V132 WeakPolarHBondContact O-CG2 3.39Å; V130-V132 PolarHBondContact O-N 2.99Å
131	W	53.7	Low	51.3	Low	256 Å²	256	106.9 Å²	106.9	97%	0.97	58%	0.576	S	S	*	*			trans	-59.5	118.4	170.3	-85.7	68.1	0	0	0	109.6
132	V	56.7	Low	50.8	Low	53 Å²	53	108.6 Å²	108.6	32%	0.321	57%	0.572	S	S	.	*			trans	-100.7	132	178.7	176	0	0	0	0	108	I122 V130 E134	I122-V132 HydrophobicContact CD1-CB 4Å; I122-V132 HydrophobicContact CD1-CG1 4.1Å; I122-V132 HydrophobicContact CD1-CG2 3.14Å; V130-V132 WeakPolarHBondContact O-CG2 3.39Å; V130-V132 PolarHBondContact O-N 2.99Å; V132-E134 PolarHBondContact O-N 3.32Å
133	D	52.5	Low	50.1	Low	105 Å²	105	110.9 Å²	110.9	56%	0.561	59%	0.591	S	S	*	*			trans	-73.3	99.3	178.3	-170.9	-0	0	0	0	110.1	S135	D133-S135 PolarHBondContact O-N 3.14Å; D133-S135 WeakPolarHBondContact OD1-CB 3.21Å; D133-S135 PolarHBondContact OD1-N 2.99Å; D133-S135 VanDerWaalsContact OD1-N 3.11Å; D133-S135 PolarHBondContact OD1-OG 2.94Å
134	E	52.1	Low	49.8	Very low	143 Å²	143	112.1 Å²	112.1	67%	0.668	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-75.2	-3.5	179.6	-65.3	175.6	-173.5	0	0	113.2	V132 H136 F137	V132-E134 PolarHBondContact O-N 3.32Å; E134-H136 PolarHBondContact O-N 3.45Å; E134-F137 HydrophobicContact CB-CD2 4.41Å; E134-F137 WeakPolarHBondContact O-CB 3.48Å; E134-F137 PolarHBondContact O-N 3.49Å
135	S	50.5	Low	49.1	Very low	77 Å²	77	108.8 Å²	108.8	54%	0.538	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-55.3	-32.3	-174.7	-56	0	0	0	0	113.1	D133	D133-S135 PolarHBondContact O-N 3.14Å; D133-S135 WeakPolarHBondContact OD1-CB 3.21Å; D133-S135 PolarHBondContact OD1-N 2.99Å; D133-S135 VanDerWaalsContact OD1-N 3.11Å; D133-S135 PolarHBondContact OD1-OG 2.94Å
136	H	47.5	Very low	48.4	Very low	110 Å²	110	108.7 Å²	108.7	51%	0.509	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-79.6	-12.1	179.1	-62.6	-59.7	0	0	0	114.6	E134 V138	E134-H136 PolarHBondContact O-N 3.45Å; H136-V138 VanDerWaalsContact C-N 3.33Å
137	F	50.2	Low	47.4	Very low	80 Å²	80	111.1 Å²	111.1	35%	0.351	59%	0.589	S	S	.	*	H	α-helix	trans	-66.5	-36.2	177.3	-93.3	-99.7	0	0	0	112.3	L121 E134 D139 S140 M141	L121-F137 HydrophobicContact CD2-CZ 4.27Å; E134-F137 HydrophobicContact CB-CD2 4.41Å; E134-F137 WeakPolarHBondContact O-CB 3.48Å; E134-F137 PolarHBondContact O-N 3.49Å; F137-D139 PolarHBondContact O-N 3.48Å; F137-S140 PolarHBondContact O-N 2.88Å; F137-M141 PolarHBondContact O-N 3.44Å
138	V	48.9	Very low	46.3	Very low	91 Å²	91	112.3 Å²	112.3	55%	0.552	60%	0.597	S	S	*	*	H	α-helix	trans	-64.4	-31.1	-173.7	-164.6	0	0	0	0	111.3	H136 R142	H136-V138 VanDerWaalsContact C-N 3.33Å; V138-R142 WeakPolarHBondContact O-CG 3.5Å; V138-R142 PolarHBondContact O-N 3.46Å
139	D	45.7	Very low	45.2	Very low	110 Å²	110	117 Å²	117	59%	0.588	62%	0.617	S	S	*	*	H	α-helix	trans	-78.9	-43.4	178.2	-69.7	-23.1	0	0	0	111.9	F137 R142 S143	F137-D139 PolarHBondContact O-N 3.48Å; D139-R142 PolarHBondContact O-N 3.41Å; D139-S143 PolarHBondContact O-N 2.9Å
140	S	45.4	Very low	44.1	Very low	88 Å²	88	119.9 Å²	119.9	62%	0.615	63%	0.629	S	S	*	*	H	α-helix	trans	-68.8	-37.4	178.9	-85.8	0	0	0	0	113.6	F137 R142 S143 A144	F137-S140 PolarHBondContact O-N 2.88Å; S140-R142 VanDerWaalsContact C-N 3.3Å; S140-R142 PolarHBondContact O-N 3.38Å; S140-S143 PolarHBondContact O-N 3.24Å; S140-A144 PolarHBondContact O-N 2.97Å
141	M	43.9	Very low	43.1	Very low	139 Å²	139	121.1 Å²	121.1	69%	0.685	64%	0.636	S	S	*	*	H	α-helix	trans	-66.7	-32.3	175.5	-90.6	-83.4	-87	0	0	112.3	F137 A145	F137-M141 PolarHBondContact O-N 3.44Å; M141-A145 VanDerWaalsContact O-CB 3.29Å; M141-A145 WeakPolarHBondContact O-CB 3.23Å; M141-A145 PolarHBondContact O-N 2.84Å
142	R	43	Very low	42.2	Very low	185 Å²	185	117 Å²	117	70%	0.698	63%	0.631	S	S	*	*	H	α-helix	trans	-65.8	-41.8	173.2	-84.8	177.4	177.7	-106	-4.2	111.7	V138 D139 S140	V138-R142 WeakPolarHBondContact O-CG 3.5Å; V138-R142 PolarHBondContact O-N 3.46Å; D139-R142 PolarHBondContact O-N 3.41Å; S140-R142 VanDerWaalsContact C-N 3.3Å; S140-R142 PolarHBondContact O-N 3.38Å
143	S	40	Very low	41.2	Very low	82 Å²	82	122.7 Å²	122.7	57%	0.573	65%	0.654	S	S	*	*	H	α-helix	trans	-69.5	-38.7	176.7	-69.7	0	0	0	0	113	D139 S140 E146	D139-S143 PolarHBondContact O-N 2.9Å; S140-S143 PolarHBondContact O-N 3.24Å; S143-E146 PolarHBondContact O-N 3.21Å
144	A	40.6	Very low	40.2	Very low	56 Å²	56	125.3 Å²	125.3	46%	0.463	67%	0.668	S	S	.	*	H	α-helix	trans	-71.5	-32.4	179.5	0	0	0	0	0	113.2	S140 E146 E147	S140-A144 PolarHBondContact O-N 2.97Å; A144-E146 PolarHBondContact O-N 3.44Å; A144-E147 PolarHBondContact O-N 3.21Å
145	A	39.1	Very low	39.2	Very low	71 Å²	71	124.1 Å²	124.1	59%	0.587	68%	0.676	S	S	*	*	H	α-helix	trans	-66.1	-25.6	178.4	0	0	0	0	0	113.1	M141 E147	M141-A145 VanDerWaalsContact O-CB 3.29Å; M141-A145 WeakPolarHBondContact O-CB 3.23Å; M141-A145 PolarHBondContact O-N 2.84Å; A145-E147 VanDerWaalsContact C-N 3.32Å
146	E	37.9	Very low	38.3	Very low	165 Å²	165	126.2 Å²	126.2	77%	0.771	69%	0.687	S	S	*	*	H	α-helix	trans	-74.6	-21.5	176.9	-71.6	-177.1	171.7	0	0	112.8	S143 A144	S143-E146 PolarHBondContact O-N 3.21Å; A144-E146 PolarHBondContact O-N 3.44Å
147	E	34	Very low	37.4	Very low	169 Å²	169	128.4 Å²	128.4	79%	0.79	70%	0.702	S	S	*	*	H	α-helix	trans	-89.1	-14.6	178.9	-70.6	-173	166.2	0	0	114	A144 A145	A144-E147 PolarHBondContact O-N 3.21Å; A145-E147 VanDerWaalsContact C-N 3.32Å
148	M	30.2	Very low	36.4	Very low	166 Å²	166	131.6 Å²	131.6	82%	0.818	73%	0.729	S	S	*	*			trans	-94.1	10.1	-172.7	-151.5	167.6	-176.3	0	0	114.8	V150	M148-V150 PolarHBondContact O-N 2.95Å
149	N	30.5	Very low	35.6	Very low	157 Å²	157	132.7 Å²	132.7	84%	0.84	73%	0.73	S	S	*	*			trans	-79.8	61.2	178.5	-140.9	14	0	0	0	111.2
150	V	31.7	Very low	35	Very low	120 Å²	120	132.6 Å²	132.6	73%	0.727	74%	0.738	S	S	*	*			trans	-102.1	103.6	176.4	-179.4	0	0	0	0	109.1	M148	M148-V150 PolarHBondContact O-N 2.95Å
151	V	31.2	Very low	34.5	Very low	120 Å²	120	138.2 Å²	138.2	73%	0.727	75%	0.751	S	S	*	*			trans	7.7	107.5	157.3	-170.7	0	0	0	0	116.1	E153	V151-E153 HydrophobicContact CG1-CG 4.49Å; V151-E153 PolarHBondContact O-N 2.93Å
152	I	35	Very low	34.2	Very low	170 Å²	170	138.8 Å²	138.8	87%	0.872	76%	0.757	S	S	*	*			trans	-82.3	102.6	164.2	-60.2	169.8	0	0	0	106.5
153	E	35	Very low	34.1	Very low	173 Å²	173	133.1 Å²	133.1	81%	0.808	75%	0.746	S	S	*	*			trans	-90.3	137.9	176.4	-128.9	178.8	-173.9	0	0	110.8	V151	V151-E153 HydrophobicContact CG1-CG 4.49Å; V151-E153 PolarHBondContact O-N 2.93Å
154	D	32.3	Very low	34.2	Very low	160 Å²	160	134 Å²	134	86%	0.856	76%	0.758	S	S	*	*			trans	-58.7	141.2	-169.6	-71.1	-55.4	0	0	0	115
155	S	30.6	Very low	34.5	Very low	118 Å²	118	135.3 Å²	135.3	83%	0.825	76%	0.76	S	S	*	*			trans	-142.7	142.3	158.5	-80.2	0	0	0	0	112.3
156	P	31.2	Very low	35.1	Very low	120 Å²	120	132.1 Å²	132.1	78%	0.779	73%	0.734	S	S	*	*			trans	-114.2	87.2	-156.6	34.4	-16.4	0	0	0	111.1
157	L	29.4	Very low	35.8	Very low	156 Å²	156	125.5 Å²	125.5	82%	0.817	71%	0.706	S	S	*	*			trans	-143.2	88.6	161.8	-79.4	176.3	0	0	0	109.5	I159	L157-I159 PolarHBondContact O-N 3.3Å
158	T	28.5	Very low	36.7	Very low	148 Å²	148	121.8 Å²	121.8	91%	0.908	69%	0.692	S	S	*	*			trans	-60.8	95.8	168.2	37.6	0	0	0	0	110.1
159	I	32.1	Very low	38.2	Very low	114 Å²	114	119.3 Å²	119.3	59%	0.585	68%	0.681	S	S	*	*			trans	-104.6	126.7	162.1	-73.1	165.7	0	0	0	108.1	L157	L157-I159 PolarHBondContact O-N 3.3Å
160	S	33.6	Very low	39.7	Very low	107 Å²	107	122.9 Å²	122.9	75%	0.748	68%	0.683	S	S	*	*			trans	-51.5	140.6	-162.4	-40.7	0	0	0	0	114.7	D162	S160-D162 PolarHBondContact O-N 2.99Å
161	K	35.9	Very low	41.2	Very low	206 Å²	206	120.6 Å²	120.6	90%	0.896	67%	0.666	S	S	*	*	S	Bend	trans	-68.5	9.6	-171.3	-126.7	174.8	-178.1	177.8	0	116.4
162	D	35.9	Very low	43	Very low	151 Å²	151	124.8 Å²	124.8	81%	0.807	68%	0.678	S	S	*	*			trans	-126.3	44.8	-158.1	-69.6	-17.1	0	0	0	116.2	S160	S160-D162 PolarHBondContact O-N 2.99Å
163	S	41.2	Very low	44.6	Very low	67 Å²	67	121.2 Å²	121.2	47%	0.469	66%	0.661	S	S	.	*			trans	-142.9	74.5	167.1	-164.5	0	0	0	0	113.2	T165	S163-T165 PolarHBondContact O-N 2.82Å
164	A	43	Very low	46.2	Very low	99 Å²	99	116.1 Å²	116.1	82%	0.818	64%	0.636	S	S	*	*			trans	-68.3	32.3	179.1	0	0	0	0	0	116.2
165	T	46.9	Very low	48	Very low	85 Å²	85	113 Å²	113	52%	0.521	62%	0.616	S	S	.	*	S	Bend	trans	-133.6	38.9	-162.7	62.9	0	0	0	0	116.9	S163	S163-T165 PolarHBondContact O-N 2.82Å
166	G	50.9	Low	50	Low	3 Å²	3	111 Å²	111	3%	0.031	60%	0.6	C	S	.	*	S	Bend	trans	178.8	-2.5	167.2	0	0	0	0	0	120.5	H175	G166-H175 PolarHBondContact O-N 3.4Å
167	S	52.7	Low	52	Low	27 Å²	27	109.4 Å²	109.4	19%	0.189	59%	0.588	C	S	.	*			trans	-100.6	-5.3	-179.3	51.2	0	0	0	0	114.8	L169 Y179 E182	S167-L169 PolarHBondContact O-N 3.16Å; S167-Y179 WeakPolarHBondContact O-CD2 3.46Å; S167-E182 WeakPolarHBondContact CB-OE2 3.32Å; S167-E182 PolarHBondContact OG-OE2 3.03Å
168	N	53.4	Low	53.9	Low	90 Å²	90	108 Å²	108	48%	0.481	57%	0.572	S	S	.	*			trans	-85	117.9	-176.6	-155	-18.8	0	0	0	110.2	R170 L171	N168-R170 PolarHBondContact O-N 2.85Å; N168-L171 HydrophobicContact CB-CD1 3.65Å; N168-L171 HydrophobicContact CB-CG 3.88Å; N168-L171 PolarHBondContact O-N 3.35Å
169	L	61.4	Low	56	Low	115 Å²	115	103.4 Å²	103.4	60%	0.602	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-20.3	-177.5	-78.7	150.9	0	0	0	114.2	S167 F174 Y179	S167-L169 PolarHBondContact O-N 3.16Å; L169-F174 HydrophobicContact CD2-CE2 4.04Å; L169-F174 HydrophobicContact CD2-CZ 4.08Å; L169-F174 HydrophobicContact CG-CE2 4.21Å; L169-Y179 HydrophobicContact CD1-CE2 3.86Å; L169-Y179 HydrophobicContact CG-CD2 4.49Å; L169-Y179 HydrophobicContact CG-CE2 3.97Å
170	R	61.6	Low	57.9	Low	232 Å²	232	101.6 Å²	101.6	88%	0.875	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-8	-176.2	-50	-174.6	84.3	94.6	-0.9	113.7	N168	N168-R170 PolarHBondContact O-N 2.85Å
171	L	64.4	Low	59.7	Low	71 Å²	71	101.2 Å²	101.2	37%	0.372	52%	0.518	S	S	.	.	S	Bend	trans	-90.4	142.2	-177.8	-63.9	173.3	0	0	0	111.1	N168 N173 F174	N168-L171 HydrophobicContact CB-CD1 3.65Å; N168-L171 HydrophobicContact CB-CG 3.88Å; N168-L171 PolarHBondContact O-N 3.35Å; L171-N173 VanDerWaalsContact CB-OD1 3.24Å; L171-N173 WeakPolarHBondContact CB-OD1 3.42Å; L171-N173 PolarHBondContact O-N 3.1Å; L171-F174 WeakPolarHBondContact O-CB 3.3Å; L171-F174 PolarHBondContact O-N 3.35Å; L171-F174 VanDerWaalsContact O-N 3.13Å
172	E	67.5	Low	61.2	Low	208 Å²	208	96.5 Å²	96.5	97%	0.972	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.7	177.9	-67	-171.9	165	0	0	113.2	F174	E172-F174 VanDerWaalsContact C-N 3.28Å; E172-F174 PolarHBondContact O-N 3.31Å
173	N	69.4	Low	62.7	Low	96 Å²	96	93.6 Å²	93.6	51%	0.513	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	26.7	176.6	60.1	-8.1	0	0	0	113	L171 H175	L171-N173 VanDerWaalsContact CB-OD1 3.24Å; L171-N173 WeakPolarHBondContact CB-OD1 3.42Å; L171-N173 PolarHBondContact O-N 3.1Å; N173-H175 PolarHBondContact O-N 2.98Å
174	F	68.7	Low	64.1	Low	65 Å²	65	95.5 Å²	95.5	29%	0.285	48%	0.482	S	S	.	.			trans	-55.2	125.4	174.3	173.6	-104.7	0	0	0	111.2	L169 L171 E172 P176 Y179	L169-F174 HydrophobicContact CD2-CE2 4.04Å; L169-F174 HydrophobicContact CD2-CZ 4.08Å; L169-F174 HydrophobicContact CG-CE2 4.21Å; L171-F174 WeakPolarHBondContact O-CB 3.3Å; L171-F174 PolarHBondContact O-N 3.35Å; L171-F174 VanDerWaalsContact O-N 3.13Å; E172-F174 VanDerWaalsContact C-N 3.28Å; E172-F174 PolarHBondContact O-N 3.31Å; F174-P176 HydrophobicContact CD1-CG 4.17Å; F174-P176 HydrophobicContact CE1-CB 4.05Å; F174-P176 HydrophobicContact CE1-CG 3.82Å; F174-Y179 HydrophobicContact CE2-CD1 4.46Å; F174-Y179 AromaticContact CE2-CD2 3.87Å; F174-Y179 HydrophobicContact CE2-CD2 3.87Å; F174-Y179 AromaticContact CE2-CG 3.7Å; F174-Y179 HydrophobicContact CE2-CG 3.7Å; F174-Y179 HydrophobicContact CZ-CD1 4.26Å; F174-Y179 HydrophobicContact CZ-CD2 4.45Å; F174-Y179 AromaticContact CZ-CG 3.91Å; F174-Y179 HydrophobicContact CZ-CG 3.91Å
175	H	68.7	Low	65.3	Low	95 Å²	95	97.9 Å²	97.9	44%	0.44	47%	0.469	S	S	.	.			trans	-111.6	105.8	178.5	-164	-66.4	0	0	0	109.8	G166 N173 V177 R178 Y179	G166-H175 PolarHBondContact O-N 3.4Å; N173-H175 PolarHBondContact O-N 2.98Å; H175-V177 VanDerWaalsContact C-N 3.34Å; H175-V177 PolarHBondContact O-N 3.19Å; H175-R178 HydrophobicContact CB-CB 3.85Å; H175-R178 WeakPolarHBondContact O-CA 3.44Å; H175-R178 WeakPolarHBondContact O-CB 3.2Å; H175-R178 PolarHBondContact O-N 3.29Å; H175-Y179 PolarHBondContact O-N 3.03Å
176	P	73.1	Confident	66.5	Low	75 Å²	75	100.7 Å²	100.7	49%	0.487	49%	0.487	S	S	.	.	H	α-helix	trans	-56.5	-44.2	-171.3	-22.9	29.3	0	0	0	113.4	F174 R178 Y179 L180	F174-P176 HydrophobicContact CD1-CG 4.17Å; F174-P176 HydrophobicContact CE1-CB 4.05Å; F174-P176 HydrophobicContact CE1-CG 3.82Å; P176-R178 PolarHBondContact O-N 2.84Å; P176-Y179 WeakPolarHBondContact O-CB 3.09Å; P176-Y179 PolarHBondContact O-N 3.41Å; P176-L180 WeakPolarHBondContact O-CG 3.29Å; P176-L180 PolarHBondContact O-N 2.91Å
177	V	74.6	Confident	67.7	Low	88 Å²	88	102.1 Å²	102.1	53%	0.533	50%	0.498	S	S	.	.	H	α-helix	trans	-61.5	-33.7	178.4	-176	0	0	0	0	111.5	H175 L181	H175-V177 VanDerWaalsContact C-N 3.34Å; H175-V177 PolarHBondContact O-N 3.19Å; V177-L181 HydrophobicContact CG1-CD1 4.14Å; V177-L181 WeakPolarHBondContact O-CB 3.2Å; V177-L181 VanDerWaalsContact O-CG 3.25Å; V177-L181 WeakPolarHBondContact O-CG 3.4Å; V177-L181 PolarHBondContact O-N 2.83Å; V177-L181 VanDerWaalsContact O-N 3.09Å
178	R	68.7	Low	68.9	Low	126 Å²	126	104 Å²	104	48%	0.475	51%	0.511	S	S	.	.	H	α-helix	trans	-77.9	-37.9	-177	-143.2	171.3	174.4	140.3	-4.5	110.4	H175 P176 L181 E182	H175-R178 HydrophobicContact CB-CB 3.85Å; H175-R178 WeakPolarHBondContact O-CA 3.44Å; H175-R178 WeakPolarHBondContact O-CB 3.2Å; H175-R178 PolarHBondContact O-N 3.29Å; P176-R178 PolarHBondContact O-N 2.84Å; R178-L181 PolarHBondContact O-N 3.19Å; R178-E182 WeakPolarHBondContact O-CB 3.26Å; R178-E182 PolarHBondContact O-N 3.47Å
179	Y	71.9	Confident	70.3	Confident	52 Å²	52	107.6 Å²	107.6	20%	0.204	52%	0.519	C	S	.	.	H	α-helix	trans	-59.7	-46	170.6	176.8	-99.7	0	0	0	112.7	S167 L169 F174 H175 P176 E182 N183 Y184	S167-Y179 WeakPolarHBondContact O-CD2 3.46Å; L169-Y179 HydrophobicContact CD1-CE2 3.86Å; L169-Y179 HydrophobicContact CG-CD2 4.49Å; L169-Y179 HydrophobicContact CG-CE2 3.97Å; F174-Y179 HydrophobicContact CE2-CD1 4.46Å; F174-Y179 AromaticContact CE2-CD2 3.87Å; F174-Y179 HydrophobicContact CE2-CD2 3.87Å; F174-Y179 AromaticContact CE2-CG 3.7Å; F174-Y179 HydrophobicContact CE2-CG 3.7Å; F174-Y179 HydrophobicContact CZ-CD1 4.26Å; F174-Y179 HydrophobicContact CZ-CD2 4.45Å; F174-Y179 AromaticContact CZ-CG 3.91Å; F174-Y179 HydrophobicContact CZ-CG 3.91Å; H175-Y179 PolarHBondContact O-N 3.03Å; P176-Y179 WeakPolarHBondContact O-CB 3.09Å; P176-Y179 PolarHBondContact O-N 3.41Å; Y179-E182 PolarHBondContact O-N 3.14Å; Y179-N183 WeakPolarHBondContact CD2-ND2 3.49Å; Y179-N183 WeakPolarHBondContact CE2-ND2 3.25Å; Y179-N183 PolarHBondContact O-N 3.02Å; Y179-N183 PolarHBondContact O-ND2 2.84Å; Y179-Y184 HydrophobicContact CE1-CD2 4.27Å; Y179-Y184 AromaticContact CE1-CE2 3.74Å; Y179-Y184 HydrophobicContact CE1-CE2 3.74Å
180	L	73.4	Confident	71.3	Confident	76 Å²	76	107.7 Å²	107.7	40%	0.398	52%	0.52	S	S	.	.	H	α-helix	trans	-64	-43.3	177.5	-69.4	177.4	0	0	0	111.5	P176 E182 Y184 R185 L192	P176-L180 WeakPolarHBondContact O-CG 3.29Å; P176-L180 PolarHBondContact O-N 2.91Å; L180-E182 VanDerWaalsContact C-N 3.27Å; L180-E182 PolarHBondContact O-N 3.07Å; L180-Y184 HydrophobicContact CD2-CD2 4.02Å; L180-Y184 CarbonylContact O-C 3.43Å; L180-Y184 VanDerWaalsContact O-C 3.29Å; L180-Y184 VanDerWaalsContact O-CA 3.3Å; L180-Y184 WeakPolarHBondContact O-CA 3.22Å; L180-Y184 WeakPolarHBondContact O-CB 3.47Å; L180-Y184 PolarHBondContact O-N 2.94Å; L180-R185 PolarHBondContact O-N 3.3Å; L180-L192 HydrophobicContact CD2-CD2 3.76Å
181	L	70.7	Confident	72.1	Confident	98 Å²	98	99.2 Å²	99.2	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-65.6	-27.2	176.5	-75.1	170.3	0	0	0	113.4	V177 R178 R185	V177-L181 HydrophobicContact CG1-CD1 4.14Å; V177-L181 WeakPolarHBondContact O-CB 3.2Å; V177-L181 VanDerWaalsContact O-CG 3.25Å; V177-L181 WeakPolarHBondContact O-CG 3.4Å; V177-L181 PolarHBondContact O-N 2.83Å; V177-L181 VanDerWaalsContact O-N 3.09Å; R178-L181 PolarHBondContact O-N 3.19Å; L181-R185 VanDerWaalsContact O-CB 3.27Å; L181-R185 WeakPolarHBondContact O-CB 3.47Å; L181-R185 WeakPolarHBondContact O-CD 3.44Å; L181-R185 WeakPolarHBondContact O-CG 3.5Å; L181-R185 PolarHBondContact O-NE 3.22Å
182	E	66.7	Low	72.7	Confident	107 Å²	107	98.4 Å²	98.4	50%	0.5	49%	0.492	S	S	.	.	H	α-helix	trans	-88.8	-43.9	-178.1	-163	167.1	-179.8	0	0	112.2	S167 R178 Y179 L180	S167-E182 WeakPolarHBondContact CB-OE2 3.32Å; S167-E182 PolarHBondContact OG-OE2 3.03Å; R178-E182 WeakPolarHBondContact O-CB 3.26Å; R178-E182 PolarHBondContact O-N 3.47Å; Y179-E182 PolarHBondContact O-N 3.14Å; L180-E182 VanDerWaalsContact C-N 3.27Å; L180-E182 PolarHBondContact O-N 3.07Å
183	N	67.3	Low	73.5	Confident	90 Å²	90	93.5 Å²	93.5	48%	0.481	47%	0.469	S	S	.	.	H	α-helix	trans	-96.5	-24.2	-174.7	-65.6	-55.1	0	0	0	114.3	Y179	Y179-N183 WeakPolarHBondContact CD2-ND2 3.49Å; Y179-N183 WeakPolarHBondContact CE2-ND2 3.25Å; Y179-N183 PolarHBondContact O-N 3.02Å; Y179-N183 PolarHBondContact O-ND2 2.84Å
184	Y	71.1	Confident	73.9	Confident	108 Å²	108	91.8 Å²	91.8	42%	0.424	47%	0.469	S	S	.	.	S	Bend	trans	-124	28.8	-173.9	-64.4	-83.6	0	0	0	112.2	Y179 L180 T186 A187	Y179-Y184 HydrophobicContact CE1-CD2 4.27Å; Y179-Y184 AromaticContact CE1-CE2 3.74Å; Y179-Y184 HydrophobicContact CE1-CE2 3.74Å; L180-Y184 HydrophobicContact CD2-CD2 4.02Å; L180-Y184 CarbonylContact O-C 3.43Å; L180-Y184 VanDerWaalsContact O-C 3.29Å; L180-Y184 VanDerWaalsContact O-CA 3.3Å; L180-Y184 WeakPolarHBondContact O-CA 3.22Å; L180-Y184 WeakPolarHBondContact O-CB 3.47Å; L180-Y184 PolarHBondContact O-N 2.94Å; Y184-T186 PolarHBondContact O-N 3.23Å; Y184-T186 VanDerWaalsContact O-N 3.12Å; Y184-A187 HydrophobicContact CD1-CB 4.26Å; Y184-A187 WeakPolarHBondContact O-CB 3.3Å; Y184-A187 PolarHBondContact O-N 2.88Å
185	R	68.5	Low	74.1	Confident	148 Å²	148	91.1 Å²	91.1	56%	0.558	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.2	-174.7	-149.2	178.9	-103	178.9	-8.5	113.6	L180 L181	L180-R185 PolarHBondContact O-N 3.3Å; L181-R185 VanDerWaalsContact O-CB 3.27Å; L181-R185 WeakPolarHBondContact O-CB 3.47Å; L181-R185 WeakPolarHBondContact O-CD 3.44Å; L181-R185 WeakPolarHBondContact O-CG 3.5Å; L181-R185 PolarHBondContact O-NE 3.22Å
186	T	71.2	Confident	74.6	Confident	145 Å²	145	91.4 Å²	91.4	89%	0.89	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	1.4	179.3	53	0	0	0	0	113.6	Y184	Y184-T186 PolarHBondContact O-N 3.23Å; Y184-T186 VanDerWaalsContact O-N 3.12Å
187	A	75.7	Confident	74.9	Confident	32 Å²	32	94.2 Å²	94.2	26%	0.264	48%	0.484	S	S	.	.			trans	-72.5	138.3	-179.3	0	0	0	0	0	110.7	Y184 L192	Y184-A187 HydrophobicContact CD1-CB 4.26Å; Y184-A187 WeakPolarHBondContact O-CB 3.3Å; Y184-A187 PolarHBondContact O-N 2.88Å; A187-L192 HydrophobicContact CB-CD1 4.06Å; A187-L192 HydrophobicContact CB-CG 4.14Å
188	S	78.9	Confident	75	Confident	66 Å²	66	96.3 Å²	96.3	46%	0.462	49%	0.488	S	S	.	.			trans	-71.2	157.5	171.1	62.5	0	0	0	0	110.7	D190 S191 L192	S188-D190 PolarHBondContact O-N 2.91Å; S188-S191 PolarHBondContact N-OG 3.33Å; S188-S191 PolarHBondContact O-N 3.08Å; S188-S191 PolarHBondContact O-OG 3.5Å; S188-S191 PolarHBondContact OG-N 3.3Å; S188-S191 PolarHBondContact OG-OG 2.88Å; S188-L192 PolarHBondContact O-N 3.4Å; S188-L192 VanDerWaalsContact O-N 3.11Å
189	Y	82.6	Confident	75.3	Confident	166 Å²	166	96 Å²	96	65%	0.651	50%	0.495	S	S	*	.	H	α-helix	trans	-56.2	-42.6	173.8	178.8	-91.7	0	0	0	111.3	S191 L192 E193	Y189-S191 VanDerWaalsContact C-N 3.31Å; Y189-S191 PolarHBondContact O-N 2.84Å; Y189-L192 WeakPolarHBondContact O-CB 3.45Å; Y189-L192 PolarHBondContact O-N 3.38Å; Y189-L192 VanDerWaalsContact O-N 3.16Å; Y189-E193 HydrophobicContact CE1-CB 4.44Å; Y189-E193 PolarHBondContact O-N 2.67Å
190	D	81.7	Confident	75.6	Confident	118 Å²	118	98.5 Å²	98.5	63%	0.631	51%	0.509	S	S	*	.	H	α-helix	trans	-62.1	-36.7	179.9	-54.8	-28.7	0	0	0	112.6	S188 A194	S188-D190 PolarHBondContact O-N 2.91Å; D190-A194 WeakPolarHBondContact O-CB 3.43Å; D190-A194 PolarHBondContact O-N 3.03Å
191	S	78.6	Confident	75.7	Confident	53 Å²	53	98.9 Å²	98.9	37%	0.371	51%	0.511	S	S	.	.	H	α-helix	trans	-74.5	-32.9	177.3	69.5	0	0	0	0	112.2	S188 Y189 A195	S188-S191 PolarHBondContact N-OG 3.33Å; S188-S191 PolarHBondContact O-N 3.08Å; S188-S191 PolarHBondContact O-OG 3.5Å; S188-S191 PolarHBondContact OG-N 3.3Å; S188-S191 PolarHBondContact OG-OG 2.88Å; Y189-S191 VanDerWaalsContact C-N 3.31Å; Y189-S191 PolarHBondContact O-N 2.84Å; S191-A195 VanDerWaalsContact O-CB 3.29Å; S191-A195 WeakPolarHBondContact O-CB 3.24Å; S191-A195 PolarHBondContact O-N 2.86Å
192	L	78.2	Confident	75.8	Confident	55 Å²	55	99.8 Å²	99.8	29%	0.288	51%	0.512	S	S	.	.	H	α-helix	trans	-67.4	-39.3	172.1	-84	153.4	0	0	0	112.1	L180 A187 S188 Y189 A195 L196	L180-L192 HydrophobicContact CD2-CD2 3.76Å; A187-L192 HydrophobicContact CB-CD1 4.06Å; A187-L192 HydrophobicContact CB-CG 4.14Å; S188-L192 PolarHBondContact O-N 3.4Å; S188-L192 VanDerWaalsContact O-N 3.11Å; Y189-L192 WeakPolarHBondContact O-CB 3.45Å; Y189-L192 PolarHBondContact O-N 3.38Å; Y189-L192 VanDerWaalsContact O-N 3.16Å; L192-A195 PolarHBondContact O-N 3.34Å; L192-L196 WeakPolarHBondContact O-CB 3.43Å; L192-L196 PolarHBondContact O-N 3.43Å
193	E	83.1	Confident	76	Confident	104 Å²	104	97.7 Å²	97.7	49%	0.486	51%	0.51	S	S	.	.	H	α-helix	trans	-66.9	-43.5	175.7	-172.1	170.5	-133.2	0	0	111.4	Y189 A195 L196 F197	Y189-E193 HydrophobicContact CE1-CB 4.44Å; Y189-E193 PolarHBondContact O-N 2.67Å; E193-A195 VanDerWaalsContact C-N 3.31Å; E193-A195 PolarHBondContact O-N 3.35Å; E193-L196 WeakPolarHBondContact O-CB 3.35Å; E193-L196 PolarHBondContact O-N 3.28Å; E193-F197 PolarHBondContact O-N 2.95Å
194	A	78.1	Confident	76.2	Confident	61 Å²	61	97.2 Å²	97.2	50%	0.504	51%	0.507	S	S	.	.	H	α-helix	trans	-61.4	-39.5	172.6	0	0	0	0	0	112.2	D190 F197 H198	D190-A194 WeakPolarHBondContact O-CB 3.43Å; D190-A194 PolarHBondContact O-N 3.03Å; A194-F197 PolarHBondContact O-N 2.85Å; A194-H198 WeakPolarHBondContact O-CB 3.45Å; A194-H198 PolarHBondContact O-N 3.34Å
195	A	72.7	Confident	75.8	Confident	51 Å²	51	96.2 Å²	96.2	42%	0.421	51%	0.508	S	S	.	.	H	α-helix	trans	-67.2	-38.6	175.7	0	0	0	0	0	112.3	S191 L192 E193 H198 L199	S191-A195 VanDerWaalsContact O-CB 3.29Å; S191-A195 WeakPolarHBondContact O-CB 3.24Å; S191-A195 PolarHBondContact O-N 2.86Å; L192-A195 PolarHBondContact O-N 3.34Å; E193-A195 VanDerWaalsContact C-N 3.31Å; E193-A195 PolarHBondContact O-N 3.35Å; A195-H198 PolarHBondContact O-N 3.43Å; A195-L199 WeakPolarHBondContact O-CB 3.29Å; A195-L199 PolarHBondContact O-N 3.02Å
196	L	78.8	Confident	75.4	Confident	100 Å²	100	91.2 Å²	91.2	52%	0.524	50%	0.499	S	S	.	.	H	α-helix	trans	-61.3	-49.4	174.1	-174.5	109.7	0	0	0	110.6	L192 E193 H198 L199 E200	L192-L196 WeakPolarHBondContact O-CB 3.43Å; L192-L196 PolarHBondContact O-N 3.43Å; E193-L196 WeakPolarHBondContact O-CB 3.35Å; E193-L196 PolarHBondContact O-N 3.28Å; L196-H198 VanDerWaalsContact C-N 3.3Å; L196-H198 PolarHBondContact O-N 3.48Å; L196-L199 WeakPolarHBondContact O-CB 3.45Å; L196-L199 PolarHBondContact O-N 3.36Å; L196-L199 VanDerWaalsContact O-N 3.1Å; L196-E200 WeakPolarHBondContact O-CG 3.08Å; L196-E200 PolarHBondContact O-N 3.34Å
197	F	80.5	Confident	75	Confident	134 Å²	134	91.7 Å²	91.7	59%	0.588	49%	0.491	S	S	*	.	H	α-helix	trans	-58.3	-43.6	176.2	-177.6	-99.8	0	0	0	111.5	E193 A194 L199 E200 N201	E193-F197 PolarHBondContact O-N 2.95Å; A194-F197 PolarHBondContact O-N 2.85Å; F197-L199 VanDerWaalsContact C-N 3.35Å; F197-L199 PolarHBondContact O-N 2.96Å; F197-E200 PolarHBondContact O-N 3.46Å; F197-N201 WeakPolarHBondContact O-CB 3.48Å; F197-N201 PolarHBondContact O-N 3.4Å
198	H	76.7	Confident	74.1	Confident	132 Å²	132	95.9 Å²	95.9	61%	0.611	50%	0.503	S	S	*	.	H	α-helix	trans	-62.8	-40.4	175.6	-172.6	-86.2	0	0	0	112.2	A194 A195 L196 N201 H202	A194-H198 WeakPolarHBondContact O-CB 3.45Å; A194-H198 PolarHBondContact O-N 3.34Å; A195-H198 PolarHBondContact O-N 3.43Å; L196-H198 VanDerWaalsContact C-N 3.3Å; L196-H198 PolarHBondContact O-N 3.48Å; H198-N201 PolarHBondContact O-N 2.94Å; H198-H202 VanDerWaalsContact O-CB 3.27Å; H198-H202 WeakPolarHBondContact O-CB 3.23Å; H198-H202 PolarHBondContact O-N 3.03Å
199	L	74	Confident	73.2	Confident	121 Å²	121	98.1 Å²	98.1	63%	0.634	51%	0.507	S	S	*	.	H	α-helix	trans	-67	-42.7	179	-161.7	81	0	0	0	111.7	A195 L196 F197 H202 S203	A195-L199 WeakPolarHBondContact O-CB 3.29Å; A195-L199 PolarHBondContact O-N 3.02Å; L196-L199 WeakPolarHBondContact O-CB 3.45Å; L196-L199 PolarHBondContact O-N 3.36Å; L196-L199 VanDerWaalsContact O-N 3.1Å; F197-L199 VanDerWaalsContact C-N 3.35Å; F197-L199 PolarHBondContact O-N 2.96Å; L199-H202 PolarHBondContact O-N 3.29Å; L199-S203 PolarHBondContact O-N 3.23Å
200	E	78.6	Confident	72.1	Confident	103 Å²	103	94.2 Å²	94.2	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-63.2	-42.5	173.9	-73	-177.5	164.4	0	0	111.3	L196 F197 H202 S203 N204	L196-E200 WeakPolarHBondContact O-CG 3.08Å; L196-E200 PolarHBondContact O-N 3.34Å; F197-E200 PolarHBondContact O-N 3.46Å; E200-H202 VanDerWaalsContact C-N 3.3Å; E200-H202 PolarHBondContact O-N 2.84Å; E200-S203 PolarHBondContact O-N 3.2Å; E200-S203 PolarHBondContact O-OG 2.93Å; E200-S203 VanDerWaalsContact O-OG 3.08Å; E200-N204 WeakPolarHBondContact O-CB 2.95Å; E200-N204 VanDerWaalsContact O-CG 3.25Å; E200-N204 PolarHBondContact O-N 2.62Å; E200-N204 PolarHBondContact O-ND2 2.93Å; E200-N204 VanDerWaalsContact O-ND2 3.11Å
201	N	75.9	Confident	71.3	Confident	84 Å²	84	96 Å²	96	45%	0.449	50%	0.504	S	S	.	.	H	α-helix	trans	-64.9	-39.1	176.5	-135.3	7.9	0	0	0	110.8	F197 H198 N204 L205	F197-N201 WeakPolarHBondContact O-CB 3.48Å; F197-N201 PolarHBondContact O-N 3.4Å; H198-N201 PolarHBondContact O-N 2.94Å; N201-N204 PolarHBondContact O-N 3.29Å; N201-L205 WeakPolarHBondContact O-CB 3.2Å; N201-L205 VanDerWaalsContact O-CG 3.26Å; N201-L205 WeakPolarHBondContact O-CG 3.28Å; N201-L205 PolarHBondContact O-N 3.38Å
202	H	72.4	Confident	70.6	Confident	117 Å²	117	97.3 Å²	97.3	54%	0.542	51%	0.507	S	S	.	.	H	α-helix	trans	-68.2	-40	176.2	-166.8	-144.1	0	0	0	112.4	H198 L199 E200 N204 L205 A206	H198-H202 VanDerWaalsContact O-CB 3.27Å; H198-H202 WeakPolarHBondContact O-CB 3.23Å; H198-H202 PolarHBondContact O-N 3.03Å; L199-H202 PolarHBondContact O-N 3.29Å; E200-H202 VanDerWaalsContact C-N 3.3Å; E200-H202 PolarHBondContact O-N 2.84Å; H202-N204 VanDerWaalsContact C-N 3.31Å; H202-N204 PolarHBondContact O-N 3.2Å; H202-L205 CarbonylContact O-C 3.52Å; H202-L205 WeakPolarHBondContact O-CB 3.16Å; H202-L205 PolarHBondContact O-N 2.83Å; H202-A206 PolarHBondContact O-N 2.83Å
203	S	71.8	Confident	69.9	Low	63 Å²	63	98.1 Å²	98.1	44%	0.441	51%	0.508	S	S	.	.	H	α-helix	trans	-65.6	-36.9	174.8	79.4	0	0	0	0	111.6	L199 E200 L205 A206 Q207	L199-S203 PolarHBondContact O-N 3.23Å; E200-S203 PolarHBondContact O-N 3.2Å; E200-S203 PolarHBondContact O-OG 2.93Å; E200-S203 VanDerWaalsContact O-OG 3.08Å; S203-L205 VanDerWaalsContact C-N 3.34Å; S203-A206 PolarHBondContact O-N 3.18Å; S203-Q207 PolarHBondContact O-N 3.5Å; S203-Q207 VanDerWaalsContact O-N 3.15Å
204	N	71.4	Confident	69	Low	81 Å²	81	98 Å²	98	43%	0.433	51%	0.51	S	S	.	.	H	α-helix	trans	-68	-33.4	173.8	-74.2	-32.6	0	0	0	112.3	E200 N201 H202	E200-N204 WeakPolarHBondContact O-CB 2.95Å; E200-N204 VanDerWaalsContact O-CG 3.25Å; E200-N204 PolarHBondContact O-N 2.62Å; E200-N204 PolarHBondContact O-ND2 2.93Å; E200-N204 VanDerWaalsContact O-ND2 3.11Å; N201-N204 PolarHBondContact O-N 3.29Å; H202-N204 VanDerWaalsContact C-N 3.31Å; H202-N204 PolarHBondContact O-N 3.2Å
205	L	62.5	Low	68.4	Low	86 Å²	86	102.5 Å²	102.5	45%	0.45	52%	0.518	S	S	.	.	H	α-helix	trans	-70.6	-38.8	171.9	-73.6	168.3	0	0	0	111.9	N201 H202 S203 Q207 K208 E209	N201-L205 WeakPolarHBondContact O-CB 3.2Å; N201-L205 VanDerWaalsContact O-CG 3.26Å; N201-L205 WeakPolarHBondContact O-CG 3.28Å; N201-L205 PolarHBondContact O-N 3.38Å; H202-L205 CarbonylContact O-C 3.52Å; H202-L205 WeakPolarHBondContact O-CB 3.16Å; H202-L205 PolarHBondContact O-N 2.83Å; S203-L205 VanDerWaalsContact C-N 3.34Å; L205-Q207 VanDerWaalsContact C-N 3.29Å; L205-Q207 PolarHBondContact O-N 3.46Å; L205-K208 CarbonylContact O-C 3.59Å; L205-K208 WeakPolarHBondContact O-CA 3.43Å; L205-K208 WeakPolarHBondContact O-CB 3.34Å; L205-K208 PolarHBondContact O-N 3.43Å; L205-E209 PolarHBondContact O-N 3.5Å
206	A	60.1	Low	68	Low	44 Å²	44	104 Å²	104	36%	0.364	53%	0.525	S	S	.	.	H	α-helix	trans	-60	-38	175	0	0	0	0	0	111.7	H202 S203 K208 E209	H202-A206 PolarHBondContact O-N 2.83Å; S203-A206 PolarHBondContact O-N 3.18Å; A206-K208 PolarHBondContact O-N 3.34Å; A206-E209 WeakPolarHBondContact O-CB 3.45Å; A206-E209 PolarHBondContact O-N 2.93Å; A206-E209 VanDerWaalsContact O-N 3.07Å
207	Q	61.9	Low	67.4	Low	155 Å²	155	100.2 Å²	100.2	72%	0.724	51%	0.506	S	S	*	.	H	α-helix	trans	-65.5	-24.2	171.7	-70.1	-172.6	2.1	0	0	113.7	S203 L205	S203-Q207 PolarHBondContact O-N 3.5Å; S203-Q207 VanDerWaalsContact O-N 3.15Å; L205-Q207 VanDerWaalsContact C-N 3.29Å; L205-Q207 PolarHBondContact O-N 3.46Å
208	K	57.1	Low	67.3	Low	119 Å²	119	97.9 Å²	97.9	52%	0.517	50%	0.499	S	S	.	.	H	α-helix	trans	-86.4	-11.5	173.9	-67	175.2	-178.1	172	0	112.6	L205 A206 K211 N212	L205-K208 CarbonylContact O-C 3.59Å; L205-K208 WeakPolarHBondContact O-CA 3.43Å; L205-K208 WeakPolarHBondContact O-CB 3.34Å; L205-K208 PolarHBondContact O-N 3.43Å; A206-K208 PolarHBondContact O-N 3.34Å; K208-K211 WeakPolarHBondContact O-CB 3.4Å; K208-K211 PolarHBondContact O-N 3.21Å; K208-K211 VanDerWaalsContact O-N 3.09Å; K208-N212 PolarHBondContact O-N 3.41Å
209	E	61.2	Low	67.2	Low	114 Å²	114	95 Å²	95	53%	0.533	49%	0.493	S	S	.	.	H	α-helix	trans	-57.4	-43.7	-177.2	-159.9	174	-159.3	0	0	112.9	L205 A206 K211 N212 F213	L205-E209 PolarHBondContact O-N 3.5Å; A206-E209 WeakPolarHBondContact O-CB 3.45Å; A206-E209 PolarHBondContact O-N 2.93Å; A206-E209 VanDerWaalsContact O-N 3.07Å; E209-K211 VanDerWaalsContact C-N 3.28Å; E209-K211 PolarHBondContact O-N 3.47Å; E209-N212 PolarHBondContact O-N 3.26Å; E209-N212 VanDerWaalsContact O-N 3.12Å; E209-F213 WeakPolarHBondContact O-CB 3.31Å; E209-F213 PolarHBondContact O-N 3.22Å
210	P	59.2	Low	67.3	Low	84 Å²	84	91.6 Å²	91.6	55%	0.545	48%	0.48	S	S	.	.	H	α-helix	trans	-61.6	-36.6	175.9	-21.4	32.2	0	0	0	112.7	L214	P210-L214 WeakPolarHBondContact O-CB 3.41Å; P210-L214 PolarHBondContact O-N 2.87Å
211	K	64.5	Low	67.3	Low	155 Å²	155	90.1 Å²	90.1	67%	0.674	47%	0.474	S	S	*	.	H	α-helix	trans	-72.3	-37.1	177	-72.5	-176.6	178.9	175.7	0	111.6	K208 E209 L214 K215	K208-K211 WeakPolarHBondContact O-CB 3.4Å; K208-K211 PolarHBondContact O-N 3.21Å; K208-K211 VanDerWaalsContact O-N 3.09Å; E209-K211 VanDerWaalsContact C-N 3.28Å; E209-K211 PolarHBondContact O-N 3.47Å; K211-L214 PolarHBondContact O-N 2.95Å; K211-K215 WeakPolarHBondContact O-CG 3.43Å; K211-K215 PolarHBondContact O-N 3.21Å
212	N	63.8	Low	67.6	Low	81 Å²	81	90.2 Å²	90.2	43%	0.433	47%	0.474	S	S	.	.	H	α-helix	trans	-70.3	-39.2	176.3	-72.4	-15.8	0	0	0	111.1	K208 E209 K215 S216	K208-N212 PolarHBondContact O-N 3.41Å; E209-N212 PolarHBondContact O-N 3.26Å; E209-N212 VanDerWaalsContact O-N 3.12Å; N212-K215 WeakPolarHBondContact O-CB 3.14Å; N212-K215 PolarHBondContact O-N 3.32Å; N212-K215 VanDerWaalsContact O-N 3.16Å; N212-S216 PolarHBondContact O-N 3.24Å; N212-S216 PolarHBondContact O-OG 3.01Å
213	F	64.6	Low	68	Low	72 Å²	72	89 Å²	89	32%	0.316	47%	0.472	S	S	.	.	H	α-helix	trans	-60.7	-44	171.6	-176.4	-91.6	0	0	0	111.4	E127 E209 K215 S216 N217	E127-F213 HydrophobicContact CB-CD2 4.27Å; E127-F213 HydrophobicContact CB-CE2 3.96Å; E209-F213 WeakPolarHBondContact O-CB 3.31Å; E209-F213 PolarHBondContact O-N 3.22Å; F213-K215 VanDerWaalsContact C-N 3.3Å; F213-K215 PolarHBondContact O-N 2.76Å; F213-S216 WeakPolarHBondContact CA-OG 3.5Å; F213-S216 PolarHBondContact O-N 2.94Å; F213-S216 PolarHBondContact O-OG 2.94Å; F213-N217 VanDerWaalsContact CD2-ND2 3.34Å; F213-N217 WeakPolarHBondContact CD2-ND2 3.35Å; F213-N217 WeakPolarHBondContact CE1-ND2 3.24Å; F213-N217 WeakPolarHBondContact CE2-ND2 3.49Å; F213-N217 VanDerWaalsContact CZ-ND2 3.29Å; F213-N217 WeakPolarHBondContact CZ-ND2 3.38Å; F213-N217 WeakPolarHBondContact O-CB 3.16Å; F213-N217 PolarHBondContact O-N 2.72Å; F213-N217 PolarHBondContact O-ND2 3.44Å
214	L	63.4	Low	68.5	Low	102 Å²	102	89.8 Å²	89.8	53%	0.534	48%	0.476	S	S	.	.	H	α-helix	trans	-62.5	-38.6	174.1	-123.6	111.4	0	0	0	111.9	P210 K211 L218 I221	P210-L214 WeakPolarHBondContact O-CB 3.41Å; P210-L214 PolarHBondContact O-N 2.87Å; K211-L214 PolarHBondContact O-N 2.95Å; L214-L218 WeakPolarHBondContact O-CA 3.4Å; L214-L218 WeakPolarHBondContact O-CB 3.22Å; L214-L218 PolarHBondContact O-N 3.17Å; L214-I221 HydrophobicContact CD2-CD1 4.39Å; L214-I221 HydrophobicContact CG-CD1 4.07Å
215	K	64.8	Low	69.3	Low	155 Å²	155	89.1 Å²	89.1	67%	0.674	48%	0.475	S	S	*	.	H	α-helix	trans	-68.2	-41.3	177.2	-78	177.8	178.1	-175.9	0	112.5	K211 N212 F213 N217 L218	K211-K215 WeakPolarHBondContact O-CG 3.43Å; K211-K215 PolarHBondContact O-N 3.21Å; N212-K215 WeakPolarHBondContact O-CB 3.14Å; N212-K215 PolarHBondContact O-N 3.32Å; N212-K215 VanDerWaalsContact O-N 3.16Å; F213-K215 VanDerWaalsContact C-N 3.3Å; F213-K215 PolarHBondContact O-N 2.76Å; K215-N217 VanDerWaalsContact C-N 3.33Å; K215-L218 WeakPolarHBondContact O-CB 3.38Å
216	S	64.5	Low	70.4	Confident	81 Å²	81	89.3 Å²	89.3	57%	0.566	48%	0.477	S	S	*	.	H	α-helix	trans	-70.4	-32.2	179	58.2	0	0	0	0	112.2	N212 F213	N212-S216 PolarHBondContact O-N 3.24Å; N212-S216 PolarHBondContact O-OG 3.01Å; F213-S216 WeakPolarHBondContact CA-OG 3.5Å; F213-S216 PolarHBondContact O-N 2.94Å; F213-S216 PolarHBondContact O-OG 2.94Å
217	N	67.4	Low	71.6	Confident	22 Å²	22	90 Å²	90	12%	0.118	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	11.1	-179.7	-61.3	-65.7	0	0	0	113.4	A129 F213 K215 S219 C220 I221	A129-N217 WeakPolarHBondContact CB-OD1 3.34Å; F213-N217 VanDerWaalsContact CD2-ND2 3.34Å; F213-N217 WeakPolarHBondContact CD2-ND2 3.35Å; F213-N217 WeakPolarHBondContact CE1-ND2 3.24Å; F213-N217 WeakPolarHBondContact CE2-ND2 3.49Å; F213-N217 VanDerWaalsContact CZ-ND2 3.29Å; F213-N217 WeakPolarHBondContact CZ-ND2 3.38Å; F213-N217 WeakPolarHBondContact O-CB 3.16Å; F213-N217 PolarHBondContact O-N 2.72Å; F213-N217 PolarHBondContact O-ND2 3.44Å; K215-N217 VanDerWaalsContact C-N 3.33Å; N217-S219 PolarHBondContact O-N 3.48Å; N217-C220 PolarHBondContact O-N 3.26Å; N217-C220 VanDerWaalsContact O-N 3.13Å; N217-I221 WeakPolarHBondContact O-CG1 3.39Å; N217-I221 PolarHBondContact O-N 2.62Å
218	L	78.2	Confident	72.7	Confident	85 Å²	85	87.8 Å²	87.8	45%	0.445	48%	0.475	S	S	.	.	H	α-helix	trans	-57.9	-38.2	-176.5	-176	63.7	0	0	0	111.4	L214 K215 I221 L222	L214-L218 WeakPolarHBondContact O-CA 3.4Å; L214-L218 WeakPolarHBondContact O-CB 3.22Å; L214-L218 PolarHBondContact O-N 3.17Å; K215-L218 WeakPolarHBondContact O-CB 3.38Å; L218-I221 PolarHBondContact O-N 2.87Å; L218-L222 HydrophobicContact CD1-CD1 4.4Å; L218-L222 HydrophobicContact CD1-CG 4.33Å; L218-L222 HydrophobicContact CG-CD1 3.95Å; L218-L222 HydrophobicContact CG-CG 4.32Å; L218-L222 WeakPolarHBondContact O-CB 3.4Å; L218-L222 VanDerWaalsContact O-CG 3.23Å; L218-L222 WeakPolarHBondContact O-CG 3.37Å; L218-L222 PolarHBondContact O-N 3.06Å
219	S	74.4	Confident	74.2	Confident	70 Å²	70	84.1 Å²	84.1	49%	0.49	46%	0.463	S	S	.	.	H	α-helix	trans	-61.3	-47.4	177.4	58.6	0	0	0	0	111.9	N217 I221 L222 D223	N217-S219 PolarHBondContact O-N 3.48Å; S219-I221 VanDerWaalsContact C-N 3.31Å; S219-I221 PolarHBondContact O-N 3Å; S219-L222 PolarHBondContact O-N 2.83Å; S219-D223 WeakPolarHBondContact O-CB 3.46Å; S219-D223 PolarHBondContact O-N 2.94Å
220	C	76.1	Confident	75.3	Confident	51 Å²	51	84 Å²	84	35%	0.345	47%	0.467	S	S	.	.	H	α-helix	trans	-65	-36.9	179.3	-63.6	0	0	0	0	111.8	N217 D223 C224	N217-C220 PolarHBondContact O-N 3.26Å; N217-C220 VanDerWaalsContact O-N 3.13Å; C220-D223 PolarHBondContact O-N 2.93Å; C220-C224 PolarHBondContact O-N 3.45Å; C220-C224 PolarHBondContact O-SG 2.9Å
221	I	78.2	Confident	76.3	Confident	71 Å²	71	84 Å²	84	36%	0.364	46%	0.462	S	S	.	.	H	α-helix	trans	-65.9	-44.2	175.8	-64.8	168.1	0	0	0	110.3	L214 N217 L218 S219 C224 V225	L214-I221 HydrophobicContact CD2-CD1 4.39Å; L214-I221 HydrophobicContact CG-CD1 4.07Å; N217-I221 WeakPolarHBondContact O-CG1 3.39Å; N217-I221 PolarHBondContact O-N 2.62Å; L218-I221 PolarHBondContact O-N 2.87Å; S219-I221 VanDerWaalsContact C-N 3.31Å; S219-I221 PolarHBondContact O-N 3Å; I221-C224 WeakPolarHBondContact O-CB 3.43Å; I221-C224 PolarHBondContact O-N 3.03Å; I221-V225 WeakPolarHBondContact O-CG2 3.5Å; I221-V225 PolarHBondContact O-N 2.91Å
222	L	82.8	Confident	77	Confident	86 Å²	86	84 Å²	84	45%	0.45	46%	0.457	S	S	.	.	H	α-helix	trans	-63.4	-43.2	176.4	-70.5	172.6	0	0	0	111	L218 S219 C224 V225 D226	L218-L222 HydrophobicContact CD1-CD1 4.4Å; L218-L222 HydrophobicContact CD1-CG 4.33Å; L218-L222 HydrophobicContact CG-CD1 3.95Å; L218-L222 HydrophobicContact CG-CG 4.32Å; L218-L222 WeakPolarHBondContact O-CB 3.4Å; L218-L222 VanDerWaalsContact O-CG 3.23Å; L218-L222 WeakPolarHBondContact O-CG 3.37Å; L218-L222 PolarHBondContact O-N 3.06Å; S219-L222 PolarHBondContact O-N 2.83Å; L222-C224 VanDerWaalsContact C-N 3.27Å; L222-C224 PolarHBondContact O-N 3.34Å; L222-V225 CarbonylContact O-C 3.58Å; L222-V225 PolarHBondContact O-N 2.97Å; L222-D226 WeakPolarHBondContact O-CB 3.41Å; L222-D226 VanDerWaalsContact O-CG 3.3Å; L222-D226 PolarHBondContact O-N 3.38Å
223	D	80	Confident	77.9	Confident	92 Å²	92	84.1 Å²	84.1	49%	0.492	46%	0.458	S	S	.	.	H	α-helix	trans	-59	-39.3	174.3	-66.2	-25.7	0	0	0	111.4	S219 C220 A227	S219-D223 WeakPolarHBondContact O-CB 3.46Å; S219-D223 PolarHBondContact O-N 2.94Å; C220-D223 PolarHBondContact O-N 2.93Å; D223-A227 VanDerWaalsContact O-CB 3.31Å; D223-A227 WeakPolarHBondContact O-CB 3.38Å; D223-A227 PolarHBondContact O-N 2.86Å
224	C	82	Confident	78.5	Confident	79 Å²	79	87 Å²	87	53%	0.534	47%	0.47	S	S	.	.	H	α-helix	trans	-66.1	-40.2	173.4	-70.4	0	0	0	0	112.3	C220 I221 L222 A227 L228	C220-C224 PolarHBondContact O-N 3.45Å; C220-C224 PolarHBondContact O-SG 2.9Å; I221-C224 WeakPolarHBondContact O-CB 3.43Å; I221-C224 PolarHBondContact O-N 3.03Å; L222-C224 VanDerWaalsContact C-N 3.27Å; L222-C224 PolarHBondContact O-N 3.34Å; C224-A227 PolarHBondContact O-N 3.43Å; C224-L228 WeakPolarHBondContact O-CB 3.35Å; C224-L228 VanDerWaalsContact O-CG 3.23Å; C224-L228 WeakPolarHBondContact O-CG 3.46Å; C224-L228 PolarHBondContact O-N 2.8Å
225	V	87.8	Confident	79	Confident	67 Å²	67	84.9 Å²	84.9	41%	0.406	46%	0.459	S	S	.	.	H	α-helix	trans	-66.9	-42.5	177.4	170.7	0	0	0	0	110.9	I221 L222 L228 C229	I221-V225 WeakPolarHBondContact O-CG2 3.5Å; I221-V225 PolarHBondContact O-N 2.91Å; L222-V225 CarbonylContact O-C 3.58Å; L222-V225 PolarHBondContact O-N 2.97Å; V225-L228 CarbonylContact O-C 3.58Å; V225-L228 WeakPolarHBondContact O-CB 3Å; V225-L228 PolarHBondContact O-N 2.81Å; V225-C229 PolarHBondContact O-N 3.14Å; V225-C229 PolarHBondContact O-SG 3.17Å
226	D	86.6	Confident	79.6	Confident	91 Å²	91	80.6 Å²	80.6	49%	0.487	46%	0.459	S	S	.	.	H	α-helix	trans	-61.7	-47	175.8	-70.2	-18.1	0	0	0	110	L222 L228 C229 D230	L222-D226 WeakPolarHBondContact O-CB 3.41Å; L222-D226 VanDerWaalsContact O-CG 3.3Å; L222-D226 PolarHBondContact O-N 3.38Å; D226-L228 VanDerWaalsContact C-N 3.27Å; D226-L228 PolarHBondContact O-N 3.22Å; D226-C229 WeakPolarHBondContact O-CB 3.45Å; D226-C229 PolarHBondContact O-N 2.74Å; D226-D230 PolarHBondContact O-N 3.46Å
227	A	85.5	Confident	80	Confident	58 Å²	58	81 Å²	81	48%	0.479	46%	0.462	S	S	.	.	H	α-helix	trans	-60	-35.2	174.6	0	0	0	0	0	113.1	D223 C224 L231	D223-A227 VanDerWaalsContact O-CB 3.31Å; D223-A227 WeakPolarHBondContact O-CB 3.38Å; D223-A227 PolarHBondContact O-N 2.86Å; C224-A227 PolarHBondContact O-N 3.43Å; A227-L231 WeakPolarHBondContact O-CB 3.42Å; A227-L231 PolarHBondContact O-N 3.06Å
228	L	85.7	Confident	80	Confident	109 Å²	109	82.5 Å²	82.5	57%	0.571	47%	0.474	S	S	*	.	H	α-helix	trans	-71.9	-34.3	174	-73.8	171.2	0	0	0	112.4	C224 V225 D226 L231 R232	C224-L228 WeakPolarHBondContact O-CB 3.35Å; C224-L228 VanDerWaalsContact O-CG 3.23Å; C224-L228 WeakPolarHBondContact O-CG 3.46Å; C224-L228 PolarHBondContact O-N 2.8Å; V225-L228 CarbonylContact O-C 3.58Å; V225-L228 WeakPolarHBondContact O-CB 3Å; V225-L228 PolarHBondContact O-N 2.81Å; D226-L228 VanDerWaalsContact C-N 3.27Å; D226-L228 PolarHBondContact O-N 3.22Å; L228-L231 PolarHBondContact O-N 2.76Å; L228-R232 WeakPolarHBondContact O-CB 3.26Å; L228-R232 PolarHBondContact O-N 3.05Å
229	C	87	Confident	79.4	Confident	41 Å²	41	87.8 Å²	87.8	28%	0.277	50%	0.497	S	S	.	.	H	α-helix	trans	-69	-45	175	-69.1	0	0	0	0	110.7	V225 D226 L231 R232 D233	V225-C229 PolarHBondContact O-N 3.14Å; V225-C229 PolarHBondContact O-SG 3.17Å; D226-C229 WeakPolarHBondContact O-CB 3.45Å; D226-C229 PolarHBondContact O-N 2.74Å; C229-L231 VanDerWaalsContact C-N 3.26Å; C229-L231 PolarHBondContact O-N 3.44Å; C229-R232 WeakPolarHBondContact O-CB 3.5Å; C229-R232 PolarHBondContact O-N 3.27Å; C229-R232 VanDerWaalsContact O-N 3.11Å; C229-D233 WeakPolarHBondContact O-CB 3.31Å; C229-D233 PolarHBondContact O-N 2.93Å
230	D	84.6	Confident	79.1	Confident	113 Å²	113	92.9 Å²	92.9	60%	0.604	51%	0.512	S	S	*	.	H	α-helix	trans	-57.2	-41.7	173.1	-71.3	-15.7	0	0	0	111	D226 D233 F234	D226-D230 PolarHBondContact O-N 3.46Å; D230-D233 PolarHBondContact O-N 3.48Å; D230-F234 VanDerWaalsContact O-CB 3.29Å; D230-F234 WeakPolarHBondContact O-CB 3.48Å; D230-F234 PolarHBondContact O-N 3.28Å
231	L	80	Confident	78.4	Confident	83 Å²	83	92.1 Å²	92.1	44%	0.435	51%	0.507	S	S	.	.	H	α-helix	trans	-64.2	-44.6	175.3	-177.5	67.1	0	0	0	111.9	A227 L228 C229 D233 F234 I235	A227-L231 WeakPolarHBondContact O-CB 3.42Å; A227-L231 PolarHBondContact O-N 3.06Å; L228-L231 PolarHBondContact O-N 2.76Å; C229-L231 VanDerWaalsContact C-N 3.26Å; C229-L231 PolarHBondContact O-N 3.44Å; L231-D233 VanDerWaalsContact C-N 3.32Å; L231-D233 PolarHBondContact O-N 2.77Å; L231-F234 PolarHBondContact O-N 3.34Å; L231-I235 HydrophobicContact CD1-CD1 4.3Å; L231-I235 HydrophobicContact CG-CD1 3.98Å; L231-I235 WeakPolarHBondContact O-CD1 3.32Å; L231-I235 VanDerWaalsContact O-CG1 3.23Å; L231-I235 WeakPolarHBondContact O-CG1 3.46Å; L231-I235 PolarHBondContact O-N 2.96Å
232	R	80.8	Confident	78.2	Confident	155 Å²	155	93 Å²	93	59%	0.585	51%	0.513	S	S	*	.	H	α-helix	trans	-60.2	-45	176.7	-179.3	-159.6	67.5	-165.5	-5.9	110.7	L228 C229 I235 G236	L228-R232 WeakPolarHBondContact O-CB 3.26Å; L228-R232 PolarHBondContact O-N 3.05Å; C229-R232 WeakPolarHBondContact O-CB 3.5Å; C229-R232 PolarHBondContact O-N 3.27Å; C229-R232 VanDerWaalsContact O-N 3.11Å; R232-I235 PolarHBondContact O-N 2.97Å; R232-G236 PolarHBondContact O-N 2.81Å
233	D	82.6	Confident	77.6	Confident	84 Å²	84	95.4 Å²	95.4	45%	0.449	52%	0.517	S	S	.	.	H	α-helix	trans	-69.7	-37.9	-177.5	-65.3	-8.8	0	0	0	110.6	C229 D230 L231 G236 S237	C229-D233 WeakPolarHBondContact O-CB 3.31Å; C229-D233 PolarHBondContact O-N 2.93Å; D230-D233 PolarHBondContact O-N 3.48Å; L231-D233 VanDerWaalsContact C-N 3.32Å; L231-D233 PolarHBondContact O-N 2.77Å; D233-G236 PolarHBondContact O-N 3.36Å; D233-S237 WeakPolarHBondContact O-CB 3.31Å; D233-S237 PolarHBondContact O-N 3.16Å
234	F	76.6	Confident	77.5	Confident	131 Å²	131	95.3 Å²	95.3	58%	0.575	52%	0.523	S	S	*	.	H	α-helix	trans	-59.7	-46.1	170.4	-177.2	-103.3	0	0	0	112	D230 L231 G236 S237 M246	D230-F234 VanDerWaalsContact O-CB 3.29Å; D230-F234 WeakPolarHBondContact O-CB 3.48Å; D230-F234 PolarHBondContact O-N 3.28Å; L231-F234 PolarHBondContact O-N 3.34Å; F234-G236 VanDerWaalsContact C-N 3.34Å; F234-G236 PolarHBondContact O-N 3.32Å; F234-S237 PolarHBondContact O-N 3.05Å; F234-S237 PolarHBondContact O-OG 3.01Å; F234-M246 HydrophobicContact CD1-CE 3.94Å; F234-M246 HydrophobicContact CE1-CE 3.74Å
235	I	74.4	Confident	77.4	Confident	59 Å²	59	98 Å²	98	30%	0.303	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-40.7	176.4	-67.7	164.9	0	0	0	111	L231 R232 Y243 M246	L231-I235 HydrophobicContact CD1-CD1 4.3Å; L231-I235 HydrophobicContact CG-CD1 3.98Å; L231-I235 WeakPolarHBondContact O-CD1 3.32Å; L231-I235 VanDerWaalsContact O-CG1 3.23Å; L231-I235 WeakPolarHBondContact O-CG1 3.46Å; L231-I235 PolarHBondContact O-N 2.96Å; R232-I235 PolarHBondContact O-N 2.97Å; I235-Y243 HydrophobicContact CG2-CE1 3.85Å; I235-M246 HydrophobicContact CG1-CE 3.93Å
236	G	76	Confident	76.8	Confident	65 Å²	65	97.4 Å²	97.4	67%	0.67	52%	0.519	S	S	*	.	H	α-helix	trans	-70.9	-25.5	179.6	0	0	0	0	0	114.7	R232 D233 F234 S238	R232-G236 PolarHBondContact O-N 2.81Å; D233-G236 PolarHBondContact O-N 3.36Å; F234-G236 VanDerWaalsContact C-N 3.34Å; F234-G236 PolarHBondContact O-N 3.32Å; G236-S238 VanDerWaalsContact C-N 3.28Å; G236-S238 PolarHBondContact O-N 2.88Å
237	S	73	Confident	76.5	Confident	88 Å²	88	98.5 Å²	98.5	62%	0.615	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-13.2	-178.5	70.8	0	0	0	0	114.9	D233 F234	D233-S237 WeakPolarHBondContact O-CB 3.31Å; D233-S237 PolarHBondContact O-N 3.16Å; F234-S237 PolarHBondContact O-N 3.05Å; F234-S237 PolarHBondContact O-OG 3.01Å
238	S	67.6	Low	76.4	Confident	54 Å²	54	98.9 Å²	98.9	38%	0.378	52%	0.524	S	S	.	.			trans	-91.5	114.2	-178.8	-164.4	0	0	0	0	111.1	G236 Q240 P241	G236-S238 VanDerWaalsContact C-N 3.28Å; G236-S238 PolarHBondContact O-N 2.88Å; S238-Q240 VanDerWaalsContact C-N 3.26Å; S238-Q240 PolarHBondContact O-N 3.22Å; S238-P241 WeakPolarHBondContact O-CD 3.49Å
239	E	65.8	Low	76.3	Confident	197 Å²	197	97 Å²	97	92%	0.921	52%	0.517	S	S	*	.	S	Bend	trans	-65.2	-24.4	-177.6	-69.7	-174.7	161	0	0	114
240	Q	67.2	Low	76.2	Confident	176 Å²	176	99.2 Å²	99.2	82%	0.822	53%	0.525	S	S	*	.	S	Bend	trans	-131.2	83	169.9	-71.3	-151.1	-13.9	0	0	110.2	S238 D242	S238-Q240 VanDerWaalsContact C-N 3.26Å; S238-Q240 PolarHBondContact O-N 3.22Å; Q240-D242 PolarHBondContact O-N 3.49Å
241	P	62.4	Low	76.3	Confident	36 Å²	36	103.5 Å²	103.5	23%	0.234	53%	0.533	C	S	.	.			trans	-73.8	104.4	-176.9	28.1	-30.1	0	0	0	109.6	S238 Y243	S238-P241 WeakPolarHBondContact O-CD 3.49Å; P241-Y243 HydrophobicContact CB-CD1 4.13Å; P241-Y243 HydrophobicContact CB-CD2 4.28Å; P241-Y243 HydrophobicContact CB-CE1 3.75Å; P241-Y243 HydrophobicContact CB-CE2 3.92Å; P241-Y243 HydrophobicContact CB-CG 4.38Å; P241-Y243 HydrophobicContact CG-CD2 4.29Å; P241-Y243 HydrophobicContact CG-CE1 4Å; P241-Y243 HydrophobicContact CG-CE2 3.52Å; P241-Y243 WeakPolarHBondContact CG-OH 3.42Å; P241-Y243 VanDerWaalsContact O-CD2 3.29Å; P241-Y243 WeakPolarHBondContact O-CD2 3.48Å; P241-Y243 PolarHBondContact O-N 2.85Å
242	D	73.8	Confident	76.8	Confident	90 Å²	90	105 Å²	105	48%	0.481	54%	0.537	S	S	.	.			trans	-74.7	75.7	164.1	-171.7	-7.6	0	0	0	108.5	Q240 S244 K245 M246	Q240-D242 PolarHBondContact O-N 3.49Å; D242-S244 PolarHBondContact O-N 3.17Å; D242-S244 VanDerWaalsContact O-N 3.11Å; D242-S244 PolarHBondContact OD1-N 2.86Å; D242-K245 HydrophobicContact CB-CB 3.97Å; D242-K245 VanDerWaalsContact CG-CB 3.43Å; D242-K245 PolarHBondContact O-N 2.92Å; D242-K245 PolarHBondContact OD1-N 3.35Å; D242-K245 VanDerWaalsContact OD1-N 3.16Å; D242-K245 VanDerWaalsContact OD2-CB 3.31Å; D242-K245 WeakPolarHBondContact OD2-CB 2.96Å; D242-M246 PolarHBondContact O-N 2.92Å
243	Y	71	Confident	77.2	Confident	136 Å²	136	102.3 Å²	102.3	53%	0.533	53%	0.531	S	S	.	.	H	α-helix	trans	-52.4	-34.4	-178.8	-61.8	-74.1	0	0	0	111.9	I235 P241 M246 L247	I235-Y243 HydrophobicContact CG2-CE1 3.85Å; P241-Y243 HydrophobicContact CB-CD1 4.13Å; P241-Y243 HydrophobicContact CB-CD2 4.28Å; P241-Y243 HydrophobicContact CB-CE1 3.75Å; P241-Y243 HydrophobicContact CB-CE2 3.92Å; P241-Y243 HydrophobicContact CB-CG 4.38Å; P241-Y243 HydrophobicContact CG-CD2 4.29Å; P241-Y243 HydrophobicContact CG-CE1 4Å; P241-Y243 HydrophobicContact CG-CE2 3.52Å; P241-Y243 WeakPolarHBondContact CG-OH 3.42Å; P241-Y243 VanDerWaalsContact O-CD2 3.29Å; P241-Y243 WeakPolarHBondContact O-CD2 3.48Å; P241-Y243 PolarHBondContact O-N 2.85Å; Y243-M246 PolarHBondContact O-N 2.9Å; Y243-L247 VanDerWaalsContact O-CB 3.24Å; Y243-L247 WeakPolarHBondContact O-CB 3.46Å; Y243-L247 VanDerWaalsContact O-CG 3.23Å; Y243-L247 WeakPolarHBondContact O-CG 3.37Å; Y243-L247 PolarHBondContact O-N 3.42Å
244	S	77.8	Confident	77.6	Confident	89 Å²	89	103.3 Å²	103.3	62%	0.622	54%	0.536	S	S	*	.	H	α-helix	trans	-64.1	-48.9	177.1	-173.9	0	0	0	0	110.9	D242 L247 S248	D242-S244 PolarHBondContact O-N 3.17Å; D242-S244 VanDerWaalsContact O-N 3.11Å; D242-S244 PolarHBondContact OD1-N 2.86Å; S244-L247 PolarHBondContact O-N 3.4Å; S244-S248 VanDerWaalsContact O-CB 3.28Å; S244-S248 WeakPolarHBondContact O-CB 3.44Å; S244-S248 PolarHBondContact O-N 3.48Å; S244-S248 PolarHBondContact O-OG 3.39Å; S244-S248 VanDerWaalsContact O-OG 3.09Å
245	K	78.6	Confident	78.4	Confident	137 Å²	137	99.8 Å²	99.8	60%	0.596	53%	0.527	S	S	*	.	H	α-helix	trans	-63.3	-42.7	175	-171.5	177	-179.3	-178.1	0	112.1	D242 S248 T249	D242-K245 HydrophobicContact CB-CB 3.97Å; D242-K245 VanDerWaalsContact CG-CB 3.43Å; D242-K245 PolarHBondContact O-N 2.92Å; D242-K245 PolarHBondContact OD1-N 3.35Å; D242-K245 VanDerWaalsContact OD1-N 3.16Å; D242-K245 VanDerWaalsContact OD2-CB 3.31Å; D242-K245 WeakPolarHBondContact OD2-CB 2.96Å; K245-S248 WeakPolarHBondContact CA-OG 3.45Å; K245-S248 PolarHBondContact O-N 3.14Å; K245-S248 PolarHBondContact O-OG 2.92Å; K245-T249 WeakPolarHBondContact O-CB 3.04Å; K245-T249 PolarHBondContact O-N 2.68Å; K245-T249 PolarHBondContact O-OG1 2.77Å
246	M	76	Confident	79.3	Confident	54 Å²	54	99.9 Å²	99.9	27%	0.266	53%	0.531	S	S	.	.	H	α-helix	trans	-62.3	-47.5	176.8	-67.3	-179.5	70.9	0	0	112.4	F234 I235 D242 Y243 T249 L250	F234-M246 HydrophobicContact CD1-CE 3.94Å; F234-M246 HydrophobicContact CE1-CE 3.74Å; I235-M246 HydrophobicContact CG1-CE 3.93Å; D242-M246 PolarHBondContact O-N 2.92Å; Y243-M246 PolarHBondContact O-N 2.9Å; M246-T249 PolarHBondContact O-N 2.94Å; M246-L250 WeakPolarHBondContact O-CB 3.34Å; M246-L250 PolarHBondContact O-N 2.67Å
247	L	81	Confident	80	Confident	114 Å²	114	100.7 Å²	100.7	60%	0.597	53%	0.525	S	S	*	.	H	α-helix	trans	-65.7	-39.6	177.9	-74.6	169	0	0	0	111.8	Y243 S244 T249 L250 R251	Y243-L247 VanDerWaalsContact O-CB 3.24Å; Y243-L247 WeakPolarHBondContact O-CB 3.46Å; Y243-L247 VanDerWaalsContact O-CG 3.23Å; Y243-L247 WeakPolarHBondContact O-CG 3.37Å; Y243-L247 PolarHBondContact O-N 3.42Å; S244-L247 PolarHBondContact O-N 3.4Å; L247-T249 VanDerWaalsContact C-N 3.34Å; L247-L250 PolarHBondContact O-N 3.24Å; L247-R251 VanDerWaalsContact O-CB 3.26Å; L247-R251 WeakPolarHBondContact O-CB 3.26Å; L247-R251 PolarHBondContact O-N 3.39Å
248	S	83.1	Confident	80.9	Confident	66 Å²	66	99.5 Å²	99.5	46%	0.462	52%	0.517	S	S	.	.	H	α-helix	trans	-66.1	-37.6	174.9	69.6	0	0	0	0	112	S244 K245 H252	S244-S248 VanDerWaalsContact O-CB 3.28Å; S244-S248 WeakPolarHBondContact O-CB 3.44Å; S244-S248 PolarHBondContact O-N 3.48Å; S244-S248 PolarHBondContact O-OG 3.39Å; S244-S248 VanDerWaalsContact O-OG 3.09Å; K245-S248 WeakPolarHBondContact CA-OG 3.45Å; K245-S248 PolarHBondContact O-N 3.14Å; K245-S248 PolarHBondContact O-OG 2.92Å; S248-H252 WeakPolarHBondContact O-CB 3.39Å; S248-H252 PolarHBondContact O-N 2.86Å
249	T	83.9	Confident	82	Confident	69 Å²	69	101.2 Å²	101.2	42%	0.423	52%	0.522	S	S	.	.	H	α-helix	trans	-65.6	-46.4	174.3	-54.3	0	0	0	0	110.4	K245 M246 L247 H252 Q253	K245-T249 WeakPolarHBondContact O-CB 3.04Å; K245-T249 PolarHBondContact O-N 2.68Å; K245-T249 PolarHBondContact O-OG1 2.77Å; M246-T249 PolarHBondContact O-N 2.94Å; L247-T249 VanDerWaalsContact C-N 3.34Å; T249-H252 PolarHBondContact O-N 3.08Å; T249-Q253 HydrophobicContact CG2-CG 4.45Å; T249-Q253 WeakPolarHBondContact O-CB 3.49Å; T249-Q253 VanDerWaalsContact O-CG 3.29Å; T249-Q253 WeakPolarHBondContact O-CG 3.15Å; T249-Q253 PolarHBondContact O-N 2.82Å
250	L	83	Confident	83.1	Confident	88 Å²	88	95 Å²	95	46%	0.461	50%	0.499	S	S	.	.	H	α-helix	trans	-61.5	-46.7	176.6	-179.4	65.6	0	0	0	111.4	M246 L247 H252 Q253 I254	M246-L250 WeakPolarHBondContact O-CB 3.34Å; M246-L250 PolarHBondContact O-N 2.67Å; L247-L250 PolarHBondContact O-N 3.24Å; L250-H252 VanDerWaalsContact C-N 3.29Å; L250-H252 PolarHBondContact O-N 2.88Å; L250-Q253 PolarHBondContact O-N 2.85Å; L250-I254 HydrophobicContact CD1-CD1 4.15Å; L250-I254 HydrophobicContact CD1-CG1 4.39Å; L250-I254 HydrophobicContact CG-CD1 3.89Å; L250-I254 WeakPolarHBondContact O-CB 3.34Å; L250-I254 VanDerWaalsContact O-CG1 3.28Å; L250-I254 WeakPolarHBondContact O-CG1 3.43Å; L250-I254 PolarHBondContact O-N 2.95Å
251	R	87.8	Confident	84.1	Confident	203 Å²	203	87.8 Å²	87.8	77%	0.766	47%	0.473	S	S	*	.	H	α-helix	trans	-61.7	-39.8	176.8	-169.7	178.8	-166.2	131.4	3.2	111.5	L247 S255	L247-R251 VanDerWaalsContact O-CB 3.26Å; L247-R251 WeakPolarHBondContact O-CB 3.26Å; L247-R251 PolarHBondContact O-N 3.39Å; R251-S255 VanDerWaalsContact O-CB 3.27Å; R251-S255 WeakPolarHBondContact O-CB 3.46Å; R251-S255 PolarHBondContact O-N 3.04Å
252	H	90.6	Very high	85.3	Confident	114 Å²	114	91.5 Å²	91.5	53%	0.528	49%	0.487	S	S	.	.	H	α-helix	trans	-65.2	-45.6	174.9	-179.3	59.9	0	0	0	111.2	S248 T249 L250 I254 S255 V256	S248-H252 WeakPolarHBondContact O-CB 3.39Å; S248-H252 PolarHBondContact O-N 2.86Å; T249-H252 PolarHBondContact O-N 3.08Å; L250-H252 VanDerWaalsContact C-N 3.29Å; L250-H252 PolarHBondContact O-N 2.88Å; H252-I254 PolarHBondContact O-N 2.94Å; H252-S255 CarbonylContact O-C 3.35Å; H252-S255 WeakPolarHBondContact O-CB 3.2Å; H252-S255 PolarHBondContact O-N 3.49Å; H252-V256 WeakPolarHBondContact O-CB 3.37Å; H252-V256 VanDerWaalsContact O-CG2 3.26Å; H252-V256 WeakPolarHBondContact O-CG2 3.38Å; H252-V256 PolarHBondContact O-N 3.23Å
253	Q	89.6	Confident	85.8	Confident	98 Å²	98	94 Å²	94	46%	0.458	50%	0.495	S	S	.	.	H	α-helix	trans	-62.6	-42.9	176.3	-70.3	-60.2	-38.1	0	0	111.8	T249 L250 S255 V256 C257	T249-Q253 HydrophobicContact CG2-CG 4.45Å; T249-Q253 WeakPolarHBondContact O-CB 3.49Å; T249-Q253 VanDerWaalsContact O-CG 3.29Å; T249-Q253 WeakPolarHBondContact O-CG 3.15Å; T249-Q253 PolarHBondContact O-N 2.82Å; L250-Q253 PolarHBondContact O-N 2.85Å; Q253-S255 VanDerWaalsContact C-N 3.31Å; Q253-S255 PolarHBondContact O-N 2.9Å; Q253-V256 PolarHBondContact O-N 2.79Å; Q253-C257 VanDerWaalsContact O-CB 3.32Å; Q253-C257 WeakPolarHBondContact O-CB 3.48Å; Q253-C257 PolarHBondContact O-N 3.28Å; Q253-C257 PolarHBondContact O-SG 2.85Å
254	I	90.9	Very high	86.5	Confident	105 Å²	105	91.6 Å²	91.6	54%	0.538	50%	0.495	S	S	.	.	H	α-helix	trans	-61.8	-42.3	174.2	-68.2	167.5	0	0	0	110.4	L250 H252 C257 S258	L250-I254 HydrophobicContact CD1-CD1 4.15Å; L250-I254 HydrophobicContact CD1-CG1 4.39Å; L250-I254 HydrophobicContact CG-CD1 3.89Å; L250-I254 WeakPolarHBondContact O-CB 3.34Å; L250-I254 VanDerWaalsContact O-CG1 3.28Å; L250-I254 WeakPolarHBondContact O-CG1 3.43Å; L250-I254 PolarHBondContact O-N 2.95Å; H252-I254 PolarHBondContact O-N 2.94Å; I254-C257 PolarHBondContact O-N 2.54Å; I254-S258 VanDerWaalsContact O-CB 3.28Å; I254-S258 WeakPolarHBondContact O-CB 2.94Å; I254-S258 PolarHBondContact O-N 3.36Å
255	S	93	Very high	87	Confident	57 Å²	57	93.7 Å²	93.7	40%	0.399	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-43.3	176.4	-173.7	0	0	0	0	111.9	R251 H252 Q253 S258 N259	R251-S255 VanDerWaalsContact O-CB 3.27Å; R251-S255 WeakPolarHBondContact O-CB 3.46Å; R251-S255 PolarHBondContact O-N 3.04Å; H252-S255 CarbonylContact O-C 3.35Å; H252-S255 WeakPolarHBondContact O-CB 3.2Å; H252-S255 PolarHBondContact O-N 3.49Å; Q253-S255 VanDerWaalsContact C-N 3.31Å; Q253-S255 PolarHBondContact O-N 2.9Å; S255-S258 PolarHBondContact O-N 3.41Å; S255-N259 WeakPolarHBondContact O-CB 3.41Å; S255-N259 PolarHBondContact O-N 2.94Å; S255-N259 PolarHBondContact O-ND2 3.39Å; S255-N259 PolarHBondContact O-OD1 2.89Å
256	V	93.8	Very high	87.5	Confident	62 Å²	62	90 Å²	90	38%	0.376	48%	0.482	S	S	.	.	H	α-helix	trans	-63.1	-44.6	174.5	170.6	0	0	0	0	110.8	H252 Q253 N259 C260	H252-V256 WeakPolarHBondContact O-CB 3.37Å; H252-V256 VanDerWaalsContact O-CG2 3.26Å; H252-V256 WeakPolarHBondContact O-CG2 3.38Å; H252-V256 PolarHBondContact O-N 3.23Å; Q253-V256 PolarHBondContact O-N 2.79Å; V256-N259 PolarHBondContact O-N 3.44Å; V256-C260 WeakPolarHBondContact O-CB 3.41Å; V256-C260 PolarHBondContact O-N 3.46Å
257	C	90.5	Very high	87.9	Confident	82 Å²	82	91.1 Å²	91.1	55%	0.554	49%	0.489	S	S	*	.	H	α-helix	trans	-64.7	-40.1	176.4	-71.8	0	0	0	0	112.1	Q253 I254 G261	Q253-C257 VanDerWaalsContact O-CB 3.32Å; Q253-C257 WeakPolarHBondContact O-CB 3.48Å; Q253-C257 PolarHBondContact O-N 3.28Å; Q253-C257 PolarHBondContact O-SG 2.85Å; I254-C257 PolarHBondContact O-N 2.54Å; C257-G261 PolarHBondContact O-N 2.62Å
258	S	91.4	Very high	88.3	Confident	63 Å²	63	89.2 Å²	89.2	44%	0.441	48%	0.482	S	S	.	.	H	α-helix	trans	-63.8	-48.3	175.6	-166.3	0	0	0	0	110.7	I254 S255 G261 E262	I254-S258 VanDerWaalsContact O-CB 3.28Å; I254-S258 WeakPolarHBondContact O-CB 2.94Å; I254-S258 PolarHBondContact O-N 3.36Å; S255-S258 PolarHBondContact O-N 3.41Å; S258-G261 PolarHBondContact O-N 3.37Å; S258-E262 WeakPolarHBondContact O-CG 3.39Å; S258-E262 PolarHBondContact O-N 3.29Å
259	N	91.3	Very high	88.5	Confident	89 Å²	89	91.2 Å²	91.2	48%	0.476	49%	0.487	S	S	.	.	H	α-helix	trans	-64.8	-41.8	178.7	-65.5	-17.2	0	0	0	111.7	S255 V256 G261 E262 E263	S255-N259 WeakPolarHBondContact O-CB 3.41Å; S255-N259 PolarHBondContact O-N 2.94Å; S255-N259 PolarHBondContact O-ND2 3.39Å; S255-N259 PolarHBondContact O-OD1 2.89Å; V256-N259 PolarHBondContact O-N 3.44Å; N259-G261 VanDerWaalsContact C-N 3.35Å; N259-E262 PolarHBondContact O-N 3Å; N259-E263 WeakPolarHBondContact O-CB 3.48Å; N259-E263 PolarHBondContact O-N 3.38Å
260	C	88.5	Confident	88.7	Confident	66 Å²	66	93.3 Å²	93.3	45%	0.446	49%	0.49	S	S	.	.	H	α-helix	trans	-64.1	-40.7	175.4	-176.7	0	0	0	0	111.2	V256 E263 V264	V256-C260 WeakPolarHBondContact O-CB 3.41Å; V256-C260 PolarHBondContact O-N 3.46Å; C260-E263 PolarHBondContact O-N 3.45Å; C260-V264 VanDerWaalsContact O-CG2 3.32Å; C260-V264 WeakPolarHBondContact O-CG2 3.42Å; C260-V264 PolarHBondContact O-N 3.37Å
261	G	88.5	Confident	88.9	Confident	26 Å²	26	96.7 Å²	96.7	27%	0.268	50%	0.497	S	S	.	.	H	α-helix	trans	-61.9	-48.7	173.5	0	0	0	0	0	112.1	C257 S258 N259 E263 V264 F265	C257-G261 PolarHBondContact O-N 2.62Å; S258-G261 PolarHBondContact O-N 3.37Å; N259-G261 VanDerWaalsContact C-N 3.35Å; G261-E263 VanDerWaalsContact C-N 3.34Å; G261-E263 PolarHBondContact O-N 2.87Å; G261-V264 PolarHBondContact O-N 2.89Å; G261-F265 WeakPolarHBondContact O-CB 2.83Å; G261-F265 WeakPolarHBondContact O-CD2 2.9Å; G261-F265 PolarHBondContact O-N 3.31Å
262	E	86.6	Confident	89	Confident	113 Å²	113	93.3 Å²	93.3	53%	0.528	49%	0.487	S	S	.	.	H	α-helix	trans	-58.1	-45.1	174.8	-75.8	178	-166.2	0	0	111.7	S258 N259 V264 F265 V266	S258-E262 WeakPolarHBondContact O-CG 3.39Å; S258-E262 PolarHBondContact O-N 3.29Å; N259-E262 PolarHBondContact O-N 3Å; E262-V264 VanDerWaalsContact C-N 3.34Å; E262-V264 PolarHBondContact O-N 3.14Å; E262-F265 PolarHBondContact O-N 3.11Å; E262-V266 WeakPolarHBondContact O-CB 3.3Å; E262-V266 WeakPolarHBondContact O-CG2 3.3Å; E262-V266 PolarHBondContact O-N 3.25Å
263	E	85.3	Confident	88.9	Confident	143 Å²	143	94.6 Å²	94.6	67%	0.668	49%	0.494	S	S	*	.	H	α-helix	trans	-58.5	-44.4	178.2	-171.9	176.5	-176.4	0	0	111.9	N259 C260 G261	N259-E263 WeakPolarHBondContact O-CB 3.48Å; N259-E263 PolarHBondContact O-N 3.38Å; C260-E263 PolarHBondContact O-N 3.45Å; G261-E263 VanDerWaalsContact C-N 3.34Å; G261-E263 PolarHBondContact O-N 2.87Å
264	V	86.1	Confident	89	Confident	86 Å²	86	95.7 Å²	95.7	52%	0.521	50%	0.499	S	S	.	.	H	α-helix	trans	-69.6	-44.3	178.6	174.4	0	0	0	0	111.7	C260 G261 E262 V268	C260-V264 VanDerWaalsContact O-CG2 3.32Å; C260-V264 WeakPolarHBondContact O-CG2 3.42Å; C260-V264 PolarHBondContact O-N 3.37Å; G261-V264 PolarHBondContact O-N 2.89Å; E262-V264 VanDerWaalsContact C-N 3.34Å; E262-V264 PolarHBondContact O-N 3.14Å; V264-V268 WeakPolarHBondContact O-CG2 3.28Å
265	F	87.3	Confident	89	Confident	132 Å²	132	94.1 Å²	94.1	58%	0.579	50%	0.497	S	S	*	.	H	α-helix	trans	-80.8	-32.1	-174	-78.3	-68.1	0	0	0	113.7	G261 E262 D267 V268 L269	G261-F265 WeakPolarHBondContact O-CB 2.83Å; G261-F265 WeakPolarHBondContact O-CD2 2.9Å; G261-F265 PolarHBondContact O-N 3.31Å; E262-F265 PolarHBondContact O-N 3.11Å; F265-D267 VanDerWaalsContact C-N 3.28Å; F265-D267 PolarHBondContact O-N 3.37Å; F265-V268 PolarHBondContact O-N 3.16Å; F265-V268 VanDerWaalsContact O-N 3.16Å; F265-L269 WeakPolarHBondContact O-CB 3.47Å; F265-L269 VanDerWaalsContact O-CG 3.25Å; F265-L269 WeakPolarHBondContact O-CG 3.35Å; F265-L269 PolarHBondContact O-N 3.46Å
266	V	88.4	Confident	88.7	Confident	59 Å²	59	95.2 Å²	95.2	36%	0.358	50%	0.499	S	S	.	.	H	α-helix	trans	-59	-42.9	178.9	164.5	0	0	0	0	110.8	E262 L269 K270	E262-V266 WeakPolarHBondContact O-CB 3.3Å; E262-V266 WeakPolarHBondContact O-CG2 3.3Å; E262-V266 PolarHBondContact O-N 3.25Å; V266-L269 PolarHBondContact O-N 3.01Å; V266-K270 HydrophobicContact CG1-CD 4.1Å; V266-K270 WeakPolarHBondContact O-CB 3.41Å; V266-K270 VanDerWaalsContact O-CG 3.32Å; V266-K270 WeakPolarHBondContact O-CG 3.48Å; V266-K270 PolarHBondContact O-N 3.5Å
267	D	85.6	Confident	88.6	Confident	79 Å²	79	95.5 Å²	95.5	42%	0.422	50%	0.503	S	S	.	.	H	α-helix	trans	-68.5	-36.7	178.1	-82.3	-1.2	0	0	0	112.4	F265 R271	F265-D267 VanDerWaalsContact C-N 3.28Å; F265-D267 PolarHBondContact O-N 3.37Å; D267-R271 WeakPolarHBondContact O-CG 3.13Å; D267-R271 PolarHBondContact O-N 3.12Å
268	V	88.5	Confident	88.5	Confident	74 Å²	74	97.1 Å²	97.1	45%	0.448	51%	0.505	S	S	.	.	H	α-helix	trans	-66.4	-43.2	174.7	175.1	0	0	0	0	111	V264 F265 R271 K272	V264-V268 WeakPolarHBondContact O-CG2 3.28Å; F265-V268 PolarHBondContact O-N 3.16Å; F265-V268 VanDerWaalsContact O-N 3.16Å; V268-R271 PolarHBondContact O-N 3.33Å; V268-K272 WeakPolarHBondContact O-CB 3.5Å; V268-K272 PolarHBondContact O-N 3.42Å
269	L	86.9	Confident	88.1	Confident	107 Å²	107	102.8 Å²	102.8	56%	0.56	52%	0.517	S	S	*	.	H	α-helix	trans	-64.4	-43.2	177.7	-70.8	173.1	0	0	0	111.5	F265 V266 R271 K272 E273	F265-L269 WeakPolarHBondContact O-CB 3.47Å; F265-L269 VanDerWaalsContact O-CG 3.25Å; F265-L269 WeakPolarHBondContact O-CG 3.35Å; F265-L269 PolarHBondContact O-N 3.46Å; V266-L269 PolarHBondContact O-N 3.01Å; L269-R271 PolarHBondContact O-N 3.17Å; L269-K272 WeakPolarHBondContact O-CB 3.32Å; L269-K272 PolarHBondContact O-N 3.45Å; L269-E273 PolarHBondContact O-N 2.69Å
270	K	89.4	Confident	87.8	Confident	113 Å²	113	103.7 Å²	103.7	49%	0.491	52%	0.522	S	S	.	.	H	α-helix	trans	-61.4	-43.7	174.2	-76.1	173.5	-178.1	168.5	0	112.1	V266 K272 E273 Q274	V266-K270 HydrophobicContact CG1-CD 4.1Å; V266-K270 WeakPolarHBondContact O-CB 3.41Å; V266-K270 VanDerWaalsContact O-CG 3.32Å; V266-K270 WeakPolarHBondContact O-CG 3.48Å; V266-K270 PolarHBondContact O-N 3.5Å; K270-K272 VanDerWaalsContact C-N 3.33Å; K270-K272 PolarHBondContact O-N 3.35Å; K270-E273 PolarHBondContact O-N 3Å; K270-Q274 WeakPolarHBondContact O-CB 3.13Å; K270-Q274 VanDerWaalsContact O-CG 3.27Å; K270-Q274 WeakPolarHBondContact O-CG 3.49Å; K270-Q274 PolarHBondContact O-N 3.42Å
271	R	87.7	Confident	87.5	Confident	160 Å²	160	103 Å²	103	60%	0.604	52%	0.521	S	S	*	.	H	α-helix	trans	-63.9	-38.5	175.8	-74.2	-179.1	-166.1	129.7	6.7	111.9	D267 V268 L269 Q274 S275	D267-R271 WeakPolarHBondContact O-CG 3.13Å; D267-R271 PolarHBondContact O-N 3.12Å; V268-R271 PolarHBondContact O-N 3.33Å; L269-R271 PolarHBondContact O-N 3.17Å; R271-Q274 PolarHBondContact O-N 3Å; R271-S275 WeakPolarHBondContact O-CB 3.39Å; R271-S275 PolarHBondContact O-N 3.45Å
272	K	89.7	Confident	87.3	Confident	131 Å²	131	105.5 Å²	105.5	57%	0.57	53%	0.527	S	S	*	.	H	α-helix	trans	-61.8	-50.5	174.1	-180	-178.1	176.5	180	0	110.9	V268 L269 K270 Q274 S275 D276	V268-K272 WeakPolarHBondContact O-CB 3.5Å; V268-K272 PolarHBondContact O-N 3.42Å; L269-K272 WeakPolarHBondContact O-CB 3.32Å; L269-K272 PolarHBondContact O-N 3.45Å; K270-K272 VanDerWaalsContact C-N 3.33Å; K270-K272 PolarHBondContact O-N 3.35Å; K272-Q274 VanDerWaalsContact C-N 3.32Å; K272-Q274 PolarHBondContact O-N 3.06Å; K272-S275 WeakPolarHBondContact O-CA 3.41Å; K272-S275 WeakPolarHBondContact O-CB 3.28Å; K272-S275 PolarHBondContact O-N 3.29Å; K272-S275 VanDerWaalsContact O-N 3.08Å; K272-D276 PolarHBondContact O-N 2.92Å
273	E	88.8	Confident	87.1	Confident	141 Å²	141	103.9 Å²	103.9	66%	0.659	53%	0.526	S	S	*	.	H	α-helix	trans	-59.7	-41.9	178.1	-171.7	-180	-176.3	0	0	111.9	L269 K270 D276 S277	L269-E273 PolarHBondContact O-N 2.69Å; K270-E273 PolarHBondContact O-N 3Å; E273-D276 PolarHBondContact O-N 3.38Å; E273-S277 WeakPolarHBondContact O-CB 3.33Å; E273-S277 PolarHBondContact O-N 2.83Å
274	Q	91	Very high	86.7	Confident	121 Å²	121	99.9 Å²	99.9	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-60.5	-45.7	172.6	-74.5	175.5	-0.1	0	0	111.8	K270 R271 K272 D276 S277 I278	K270-Q274 WeakPolarHBondContact O-CB 3.13Å; K270-Q274 VanDerWaalsContact O-CG 3.27Å; K270-Q274 WeakPolarHBondContact O-CG 3.49Å; K270-Q274 PolarHBondContact O-N 3.42Å; R271-Q274 PolarHBondContact O-N 3Å; K272-Q274 VanDerWaalsContact C-N 3.32Å; K272-Q274 PolarHBondContact O-N 3.06Å; Q274-D276 VanDerWaalsContact C-N 3.34Å; Q274-D276 PolarHBondContact O-N 3.4Å; Q274-S277 PolarHBondContact O-N 3.25Å; Q274-S277 PolarHBondContact O-OG 2.93Å; Q274-I278 VanDerWaalsContact O-CG1 3.31Å; Q274-I278 WeakPolarHBondContact O-CG1 3.41Å; Q274-I278 PolarHBondContact O-N 3.11Å
275	S	90.2	Very high	86.3	Confident	72 Å²	72	100 Å²	100	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-60.3	-43.7	176.4	-170.3	0	0	0	0	111.8	R271 K272 S277 I278 R279	R271-S275 WeakPolarHBondContact O-CB 3.39Å; R271-S275 PolarHBondContact O-N 3.45Å; K272-S275 WeakPolarHBondContact O-CA 3.41Å; K272-S275 WeakPolarHBondContact O-CB 3.28Å; K272-S275 PolarHBondContact O-N 3.29Å; K272-S275 VanDerWaalsContact O-N 3.08Å; S275-S277 PolarHBondContact O-N 3.36Å; S275-I278 PolarHBondContact O-N 3.3Å; S275-R279 WeakPolarHBondContact O-CB 3.09Å; S275-R279 PolarHBondContact O-N 3.32Å
276	D	88	Confident	86	Confident	81 Å²	81	102.3 Å²	102.3	43%	0.433	51%	0.513	S	S	.	.	H	α-helix	trans	-65.4	-38.6	177.3	-72.3	-24.7	0	0	0	111.5	K272 E273 Q274 R279 N280	K272-D276 PolarHBondContact O-N 2.92Å; E273-D276 PolarHBondContact O-N 3.38Å; Q274-D276 VanDerWaalsContact C-N 3.34Å; Q274-D276 PolarHBondContact O-N 3.4Å; D276-R279 PolarHBondContact O-N 3.2Å; D276-N280 WeakPolarHBondContact O-CB 3.2Å; D276-N280 PolarHBondContact O-N 3.39Å
277	S	91	Very high	85.3	Confident	68 Å²	68	109.1 Å²	109.1	48%	0.476	53%	0.532	S	S	.	.	H	α-helix	trans	-62.7	-43.6	173.9	82.4	0	0	0	0	112	E273 Q274 S275 R279 N280 A281	E273-S277 WeakPolarHBondContact O-CB 3.33Å; E273-S277 PolarHBondContact O-N 2.83Å; Q274-S277 PolarHBondContact O-N 3.25Å; Q274-S277 PolarHBondContact O-OG 2.93Å; S275-S277 PolarHBondContact O-N 3.36Å; S277-R279 VanDerWaalsContact C-N 3.34Å; S277-N280 PolarHBondContact O-N 2.83Å; S277-A281 WeakPolarHBondContact O-CB 3.49Å; S277-A281 PolarHBondContact O-N 3.12Å
278	I	89.1	Confident	84.9	Confident	116 Å²	116	106.4 Å²	106.4	60%	0.595	52%	0.517	S	S	*	.	H	α-helix	trans	-64.8	-41.6	176.6	-68.2	165.8	0	0	0	109.7	Q274 S275 A281 L282	Q274-I278 VanDerWaalsContact O-CG1 3.31Å; Q274-I278 WeakPolarHBondContact O-CG1 3.41Å; Q274-I278 PolarHBondContact O-N 3.11Å; S275-I278 PolarHBondContact O-N 3.3Å; I278-A281 PolarHBondContact O-N 2.72Å; I278-L282 WeakPolarHBondContact O-CB 3.16Å; I278-L282 PolarHBondContact O-N 3.4Å
279	R	83.2	Confident	84.5	Confident	181 Å²	181	110.8 Å²	110.8	68%	0.683	53%	0.525	S	S	*	.	H	α-helix	trans	-64	-42.9	177.3	-169.4	-179.6	-170.9	126	-0	111.5	S275 D276 S277 L282 T283	S275-R279 WeakPolarHBondContact O-CB 3.09Å; S275-R279 PolarHBondContact O-N 3.32Å; D276-R279 PolarHBondContact O-N 3.2Å; S277-R279 VanDerWaalsContact C-N 3.34Å; R279-L282 PolarHBondContact O-N 3.29Å; R279-T283 WeakPolarHBondContact O-CB 3.34Å; R279-T283 PolarHBondContact O-N 2.91Å; R279-T283 PolarHBondContact O-OG1 3.32Å
280	N	84	Confident	84.1	Confident	108 Å²	108	108 Å²	108	58%	0.578	51%	0.508	S	S	*	.	H	α-helix	trans	-62.1	-48.9	175.4	-171.7	15.9	0	0	0	110.5	D276 S277 L282 T283 V284	D276-N280 WeakPolarHBondContact O-CB 3.2Å; D276-N280 PolarHBondContact O-N 3.39Å; S277-N280 PolarHBondContact O-N 2.83Å; N280-L282 PolarHBondContact O-N 3.47Å; N280-T283 WeakPolarHBondContact O-CB 3.44Å; N280-T283 PolarHBondContact O-N 2.67Å; N280-T283 VanDerWaalsContact O-N 3.12Å; N280-V284 WeakPolarHBondContact O-CG2 3.48Å; N280-V284 PolarHBondContact O-N 3.45Å
281	A	82.7	Confident	83.3	Confident	51 Å²	51	102.8 Å²	102.8	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-58	-46.2	176.1	0	0	0	0	0	112.4	S277 I278 T283 V284 L285	S277-A281 WeakPolarHBondContact O-CB 3.49Å; S277-A281 PolarHBondContact O-N 3.12Å; I278-A281 PolarHBondContact O-N 2.72Å; A281-T283 VanDerWaalsContact C-N 3.29Å; A281-T283 PolarHBondContact O-N 2.66Å; A281-V284 PolarHBondContact O-N 3.16Å; A281-L285 WeakPolarHBondContact O-CB 3.26Å; A281-L285 WeakPolarHBondContact O-CG 3.38Å; A281-L285 PolarHBondContact O-N 2.81Å
282	L	83.8	Confident	82.6	Confident	79 Å²	79	99.8 Å²	99.8	41%	0.414	48%	0.478	S	S	.	.	H	α-helix	trans	-63	-37.1	177	-173.6	66	0	0	0	111.9	I278 R279 N280 L285 R286	I278-L282 WeakPolarHBondContact O-CB 3.16Å; I278-L282 PolarHBondContact O-N 3.4Å; R279-L282 PolarHBondContact O-N 3.29Å; N280-L282 PolarHBondContact O-N 3.47Å; L282-L285 PolarHBondContact O-N 3.04Å; L282-R286 WeakPolarHBondContact O-CB 3.41Å; L282-R286 VanDerWaalsContact O-CG 3.29Å; L282-R286 WeakPolarHBondContact O-CG 3.36Å; L282-R286 PolarHBondContact O-N 3.37Å
283	T	81.4	Confident	82.1	Confident	80 Å²	80	96.9 Å²	96.9	49%	0.491	47%	0.468	S	S	.	.	H	α-helix	trans	-65.2	-44	176.3	-57.1	0	0	0	0	110.9	R279 N280 A281 R286 R287	R279-T283 WeakPolarHBondContact O-CB 3.34Å; R279-T283 PolarHBondContact O-N 2.91Å; R279-T283 PolarHBondContact O-OG1 3.32Å; N280-T283 WeakPolarHBondContact O-CB 3.44Å; N280-T283 PolarHBondContact O-N 2.67Å; N280-T283 VanDerWaalsContact O-N 3.12Å; A281-T283 VanDerWaalsContact C-N 3.29Å; A281-T283 PolarHBondContact O-N 2.66Å; T283-R286 PolarHBondContact O-N 3.2Å; T283-R287 WeakPolarHBondContact O-CB 3.29Å; T283-R287 PolarHBondContact O-N 2.98Å
284	V	77.3	Confident	81.4	Confident	59 Å²	59	90.5 Å²	90.5	36%	0.358	44%	0.438	S	S	.	.	H	α-helix	trans	-61.9	-47.4	173.7	175	0	0	0	0	111	N280 A281 R286 R287 F288	N280-V284 WeakPolarHBondContact O-CG2 3.48Å; N280-V284 PolarHBondContact O-N 3.45Å; A281-V284 PolarHBondContact O-N 3.16Å; V284-R286 VanDerWaalsContact C-N 3.33Å; V284-R286 PolarHBondContact O-N 3.18Å; V284-R287 PolarHBondContact O-N 3.36Å; V284-F288 HydrophobicContact CG1-CD2 3.89Å; V284-F288 HydrophobicContact CG1-CE2 4.32Å; V284-F288 WeakPolarHBondContact O-CD2 3.34Å; V284-F288 PolarHBondContact O-N 2.97Å
285	L	77.3	Confident	80.3	Confident	89 Å²	89	87.1 Å²	87.1	47%	0.466	43%	0.427	S	S	.	.	H	α-helix	trans	-61.3	-38.6	177.8	-72	175.6	0	0	0	112.5	A281 L282 R289 F292	A281-L285 WeakPolarHBondContact O-CB 3.26Å; A281-L285 WeakPolarHBondContact O-CG 3.38Å; A281-L285 PolarHBondContact O-N 2.81Å; L282-L285 PolarHBondContact O-N 3.04Å; L285-R289 WeakPolarHBondContact O-CA 3.36Å; L285-R289 WeakPolarHBondContact O-CB 3.18Å; L285-R289 PolarHBondContact O-N 3.43Å; L285-F292 HydrophobicContact CD2-CD2 4.22Å; L285-F292 HydrophobicContact CD2-CE2 3.7Å; L285-F292 HydrophobicContact CD2-CZ 3.91Å
286	R	81	Confident	79.5	Confident	180 Å²	180	90.3 Å²	90.3	68%	0.679	43%	0.434	S	S	*	.	H	α-helix	trans	-68	-45.2	175.5	-76.7	176.8	179.2	-171	0.5	111.5	L282 T283 V284 F288 R289	L282-R286 WeakPolarHBondContact O-CB 3.41Å; L282-R286 VanDerWaalsContact O-CG 3.29Å; L282-R286 WeakPolarHBondContact O-CG 3.36Å; L282-R286 PolarHBondContact O-N 3.37Å; T283-R286 PolarHBondContact O-N 3.2Å; V284-R286 VanDerWaalsContact C-N 3.33Å; V284-R286 PolarHBondContact O-N 3.18Å; R286-F288 VanDerWaalsContact C-N 3.34Å; R286-F288 PolarHBondContact O-N 3.42Å; R286-R289 WeakPolarHBondContact O-CB 3.32Å; R286-R289 PolarHBondContact O-N 3.17Å
287	R	75.6	Confident	78.8	Confident	202 Å²	202	88.1 Å²	88.1	76%	0.762	43%	0.427	S	S	*	.	H	α-helix	trans	-61.2	-41.9	178.8	-176.2	174.4	-179.7	173.5	-0.3	112.1	T283 V284	T283-R287 WeakPolarHBondContact O-CB 3.29Å; T283-R287 PolarHBondContact O-N 2.98Å; V284-R287 PolarHBondContact O-N 3.36Å
288	F	75.5	Confident	77.7	Confident	21 Å²	21	86 Å²	86	9%	0.092	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	17.8	-178.4	-61.6	-72.6	0	0	0	113.5	V284 R286 F290 L291 F292 T324 L329	V284-F288 HydrophobicContact CG1-CD2 3.89Å; V284-F288 HydrophobicContact CG1-CE2 4.32Å; V284-F288 WeakPolarHBondContact O-CD2 3.34Å; V284-F288 PolarHBondContact O-N 2.97Å; R286-F288 VanDerWaalsContact C-N 3.34Å; R286-F288 PolarHBondContact O-N 3.42Å; F288-F290 PolarHBondContact O-N 3.23Å; F288-F290 VanDerWaalsContact O-N 3.1Å; F288-L291 HydrophobicContact CB-CD1 4.26Å; F288-L291 HydrophobicContact CD1-CD1 3.68Å; F288-L291 HydrophobicContact CG-CD1 4.35Å; F288-L291 WeakPolarHBondContact O-CB 3.46Å; F288-L291 PolarHBondContact O-N 3.23Å; F288-F292 HydrophobicContact CB-CD2 4.43Å; F288-F292 HydrophobicContact CB-CE2 3.95Å; F288-F292 WeakPolarHBondContact O-CD2 3.38Å; F288-F292 PolarHBondContact O-N 3.05Å; F288-T324 HydrophobicContact CZ-CG2 4.42Å; F288-L329 HydrophobicContact CD1-CD1 4.42Å; F288-L329 HydrophobicContact CD2-CD1 3.93Å; F288-L329 HydrophobicContact CE1-CD1 3.94Å; F288-L329 HydrophobicContact CE2-CD1 3.4Å; F288-L329 VanDerWaalsContact CE2-CD1 3.4Å; F288-L329 HydrophobicContact CG-CD1 4.41Å; F288-L329 HydrophobicContact CZ-CD1 3.4Å
289	R	81.1	Confident	76.6	Confident	166 Å²	166	84.8 Å²	84.8	63%	0.626	40%	0.4	S	S	*	.	H	α-helix	trans	-51.4	-40.4	-178.7	-170.5	-178.7	84.3	121.5	-1.4	112.1	L285 R286 L291 F292 L293	L285-R289 WeakPolarHBondContact O-CA 3.36Å; L285-R289 WeakPolarHBondContact O-CB 3.18Å; L285-R289 PolarHBondContact O-N 3.43Å; R286-R289 WeakPolarHBondContact O-CB 3.32Å; R286-R289 PolarHBondContact O-N 3.17Å; R289-L291 VanDerWaalsContact C-N 3.34Å; R289-L291 PolarHBondContact O-N 2.62Å; R289-F292 PolarHBondContact O-N 3.49Å; R289-L293 HydrophobicContact CG-CD1 3.84Å; R289-L293 HydrophobicContact CG-CG 4.4Å; R289-L293 WeakPolarHBondContact O-CG 3.48Å; R289-L293 PolarHBondContact O-N 3.3Å
290	F	78.9	Confident	76.1	Confident	48 Å²	48	78.4 Å²	78.4	21%	0.211	38%	0.383	C	S	.	.	H	α-helix	trans	-52.6	-49.2	175.8	172.5	-109.4	0	0	0	112.5	F288 F292 L293 L294 E313 R316 A317 L320	F288-F290 PolarHBondContact O-N 3.23Å; F288-F290 VanDerWaalsContact O-N 3.1Å; F290-F292 VanDerWaalsContact C-N 3.31Å; F290-F292 PolarHBondContact O-N 3.48Å; F290-L293 PolarHBondContact O-N 3.27Å; F290-L294 HydrophobicContact CE1-CD1 4.14Å; F290-L294 HydrophobicContact CE2-CD1 3.99Å; F290-L294 HydrophobicContact CZ-CD1 3.54Å; F290-L294 PolarHBondContact O-N 2.9Å; F290-E313 WeakPolarHBondContact CE2-OE2 3.45Å; F290-E313 WeakPolarHBondContact CZ-OE2 3.3Å; F290-R316 HydrophobicContact CE1-CB 4.39Å; F290-R316 HydrophobicContact CE1-CG 4Å; F290-R316 HydrophobicContact CZ-CB 4.25Å; F290-R316 HydrophobicContact CZ-CG 4.08Å; F290-A317 HydrophobicContact CE1-CB 3.98Å; F290-L320 HydrophobicContact CD1-CD1 3.6Å; F290-L320 HydrophobicContact CE1-CD1 4Å
291	L	70.9	Confident	75.5	Confident	4 Å²	4	74.9 Å²	74.9	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-65.6	-34.5	-178.2	-63	177	0	0	0	112.2	F288 R289 L294 A317 L321 L333	F288-L291 HydrophobicContact CB-CD1 4.26Å; F288-L291 HydrophobicContact CD1-CD1 3.68Å; F288-L291 HydrophobicContact CG-CD1 4.35Å; F288-L291 WeakPolarHBondContact O-CB 3.46Å; F288-L291 PolarHBondContact O-N 3.23Å; R289-L291 VanDerWaalsContact C-N 3.34Å; R289-L291 PolarHBondContact O-N 2.62Å; L291-L294 WeakPolarHBondContact O-CB 3.43Å; L291-A317 HydrophobicContact CD2-CB 3.9Å; L291-L321 HydrophobicContact CD1-CD2 4.04Å; L291-L333 HydrophobicContact CB-CD2 4.03Å; L291-L333 HydrophobicContact CD1-CD1 3.92Å; L291-L333 HydrophobicContact CD1-CD2 4.1Å
292	F	73.6	Confident	74.6	Confident	98 Å²	98	73.3 Å²	73.3	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-73.7	-30.8	177.1	-64.3	-70.1	0	0	0	113	L285 F288 R289 F290 P295 I337	L285-F292 HydrophobicContact CD2-CD2 4.22Å; L285-F292 HydrophobicContact CD2-CE2 3.7Å; L285-F292 HydrophobicContact CD2-CZ 3.91Å; F288-F292 HydrophobicContact CB-CD2 4.43Å; F288-F292 HydrophobicContact CB-CE2 3.95Å; F288-F292 WeakPolarHBondContact O-CD2 3.38Å; F288-F292 PolarHBondContact O-N 3.05Å; R289-F292 PolarHBondContact O-N 3.49Å; F290-F292 VanDerWaalsContact C-N 3.31Å; F290-F292 PolarHBondContact O-N 3.48Å; F292-P295 WeakPolarHBondContact O-CD 3.47Å; F292-I337 HydrophobicContact CE1-CD1 4.47Å
293	L	79	Confident	73.6	Confident	70 Å²	70	75.3 Å²	75.3	37%	0.366	36%	0.355	S	S	.	.	H	α-helix	trans	-88.8	-14.8	177.5	-67.9	175.2	0	0	0	113.4	R289 F290 P295 Q296 A297	R289-L293 HydrophobicContact CG-CD1 3.84Å; R289-L293 HydrophobicContact CG-CG 4.4Å; R289-L293 WeakPolarHBondContact O-CG 3.48Å; R289-L293 PolarHBondContact O-N 3.3Å; F290-L293 PolarHBondContact O-N 3.27Å; L293-P295 VanDerWaalsContact C-N 3.34Å; L293-Q296 WeakPolarHBondContact O-CB 3.44Å; L293-Q296 PolarHBondContact O-N 3.26Å; L293-A297 PolarHBondContact O-N 2.9Å
294	L	74.2	Confident	73	Confident	6 Å²	6	77.9 Å²	77.9	3%	0.031	36%	0.36	C	S	.	.	H	α-helix	trans	-48.6	-45.9	179.8	-169.6	72.7	0	0	0	113.5	F290 L291 Q296 A297 M298 E313 A317 L341	F290-L294 HydrophobicContact CE1-CD1 4.14Å; F290-L294 HydrophobicContact CE2-CD1 3.99Å; F290-L294 HydrophobicContact CZ-CD1 3.54Å; F290-L294 PolarHBondContact O-N 2.9Å; L291-L294 WeakPolarHBondContact O-CB 3.43Å; L294-Q296 VanDerWaalsContact C-N 3.31Å; L294-Q296 PolarHBondContact O-N 3.08Å; L294-A297 PolarHBondContact O-N 3.49Å; L294-M298 HydrophobicContact CD1-CE 3.7Å; L294-M298 HydrophobicContact CD1-CG 4.39Å; L294-M298 HydrophobicContact CD1-SD 4.38Å; L294-M298 HydrophobicContact CD2-CE 3.8Å; L294-M298 HydrophobicContact CD2-SD 4.27Å; L294-M298 HydrophobicContact CG-CE 3.64Å; L294-M298 HydrophobicContact CG-CG 4.27Å; L294-M298 HydrophobicContact CG-SD 3.85Å; L294-M298 WeakPolarHBondContact O-CB 3.46Å; L294-M298 VanDerWaalsContact O-CG 3.26Å; L294-M298 WeakPolarHBondContact O-CG 3.27Å; L294-M298 PolarHBondContact O-N 3.38Å; L294-E313 HydrophobicContact CD1-CB 3.95Å; L294-A317 HydrophobicContact CD1-CB 4.28Å; L294-A317 HydrophobicContact CD2-CB 3.41Å; L294-A317 VanDerWaalsContact CD2-CB 3.41Å; L294-A317 HydrophobicContact CG-CB 4.48Å; L294-L341 HydrophobicContact CD2-CD1 4.36Å
295	P	69	Low	72.3	Confident	50 Å²	50	76.7 Å²	76.7	33%	0.325	36%	0.359	S	S	.	.	H	α-helix	trans	-58.3	-40.3	176.1	-21	31.3	0	0	0	114.9	F292 L293 K299 L341	F292-P295 WeakPolarHBondContact O-CD 3.47Å; L293-P295 VanDerWaalsContact C-N 3.34Å; P295-K299 WeakPolarHBondContact O-CB 3.48Å; P295-K299 PolarHBondContact O-N 3.27Å; P295-K299 VanDerWaalsContact O-N 3.14Å; P295-L341 HydrophobicContact CB-CD2 3.29Å; P295-L341 HydrophobicContact CB-CG 4.15Å; P295-L341 HydrophobicContact CG-CD1 4.21Å; P295-L341 HydrophobicContact CG-CD2 3.46Å; P295-L341 VanDerWaalsContact CG-CD2 3.46Å; P295-L341 HydrophobicContact CG-CG 3.83Å
296	Q	72.1	Confident	71.9	Confident	140 Å²	140	76.2 Å²	76.2	65%	0.654	36%	0.355	S	S	*	.	H	α-helix	trans	-73.2	-42.1	-178.9	-174.9	179.2	-1.1	0	0	110.6	L293 L294 K299 S300	L293-Q296 WeakPolarHBondContact O-CB 3.44Å; L293-Q296 PolarHBondContact O-N 3.26Å; L294-Q296 VanDerWaalsContact C-N 3.31Å; L294-Q296 PolarHBondContact O-N 3.08Å; Q296-K299 PolarHBondContact O-N 3.07Å; Q296-S300 PolarHBondContact O-N 3.44Å; Q296-S300 VanDerWaalsContact O-N 3.12Å
297	A	73.3	Confident	71.1	Confident	34 Å²	34	69.3 Å²	69.3	28%	0.281	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-49.1	176.6	0	0	0	0	0	111.4	L293 L294 K299 S300 H301	L293-A297 PolarHBondContact O-N 2.9Å; L294-A297 PolarHBondContact O-N 3.49Å; A297-K299 VanDerWaalsContact C-N 3.31Å; A297-K299 PolarHBondContact O-N 3.07Å; A297-S300 PolarHBondContact O-N 2.71Å; A297-S300 VanDerWaalsContact O-N 3.13Å; A297-H301 PolarHBondContact O-CD2 2.96Å; A297-H301 PolarHBondContact O-N 3.36Å
298	M	68.6	Low	70.7	Confident	23 Å²	23	61.7 Å²	61.7	11%	0.113	31%	0.313	C	S	.	.	H	α-helix	trans	-57.7	-43.5	177.5	-73.7	178.3	164.7	0	0	111.9	L294 S300 H301 V302 V310 E313 Y314 L341	L294-M298 HydrophobicContact CD1-CE 3.7Å; L294-M298 HydrophobicContact CD1-CG 4.39Å; L294-M298 HydrophobicContact CD1-SD 4.38Å; L294-M298 HydrophobicContact CD2-CE 3.8Å; L294-M298 HydrophobicContact CD2-SD 4.27Å; L294-M298 HydrophobicContact CG-CE 3.64Å; L294-M298 HydrophobicContact CG-CG 4.27Å; L294-M298 HydrophobicContact CG-SD 3.85Å; L294-M298 WeakPolarHBondContact O-CB 3.46Å; L294-M298 VanDerWaalsContact O-CG 3.26Å; L294-M298 WeakPolarHBondContact O-CG 3.27Å; L294-M298 PolarHBondContact O-N 3.38Å; M298-S300 PolarHBondContact O-N 3.46Å; M298-H301 PolarHBondContact O-N 2.98Å; M298-V302 VanDerWaalsContact O-CG2 3.28Å; M298-V302 WeakPolarHBondContact O-CG2 3.46Å; M298-V302 PolarHBondContact O-N 3.09Å; M298-V310 HydrophobicContact CG-CG1 4.23Å; M298-E313 HydrophobicContact CE-CB 4.5Å; M298-Y314 HydrophobicContact CE-CD2 3.97Å; M298-Y314 HydrophobicContact CE-CG 4.32Å; M298-L341 HydrophobicContact SD-CD2 4.33Å
299	K	66.5	Low	70.7	Confident	92 Å²	92	64.4 Å²	64.4	40%	0.4	33%	0.328	S	S	.	.	H	α-helix	trans	-59	-46.5	176.2	-177.1	174.4	173.8	176.1	0	111.7	P295 Q296 A297 H301 V302 E303	P295-K299 WeakPolarHBondContact O-CB 3.48Å; P295-K299 PolarHBondContact O-N 3.27Å; P295-K299 VanDerWaalsContact O-N 3.14Å; Q296-K299 PolarHBondContact O-N 3.07Å; A297-K299 VanDerWaalsContact C-N 3.31Å; A297-K299 PolarHBondContact O-N 3.07Å; K299-H301 PolarHBondContact O-N 3.39Å; K299-V302 PolarHBondContact O-N 3.25Å; K299-E303 WeakPolarHBondContact CE-OE1 3.46Å; K299-E303 WeakPolarHBondContact O-CG 3.25Å; K299-E303 PolarHBondContact O-N 3.19Å
300	S	72.7	Confident	70.1	Confident	46 Å²	46	57.1 Å²	57.1	32%	0.322	30%	0.302	S	S	.	.	H	α-helix	trans	-64.2	-39	179.3	-174.3	0	0	0	0	112.9	Q296 A297 M298 E303 K304	Q296-S300 PolarHBondContact O-N 3.44Å; Q296-S300 VanDerWaalsContact O-N 3.12Å; A297-S300 PolarHBondContact O-N 2.71Å; A297-S300 VanDerWaalsContact O-N 3.13Å; M298-S300 PolarHBondContact O-N 3.46Å; S300-E303 PolarHBondContact O-N 3.01Å; S300-K304 VanDerWaalsContact O-CG 3.32Å; S300-K304 WeakPolarHBondContact O-CG 3.47Å; S300-K304 PolarHBondContact O-N 3.3Å
301	H	70.3	Confident	69.5	Low	35 Å²	35	55.5 Å²	55.5	16%	0.162	30%	0.296	C	S	.	.	H	α-helix	trans	-69.5	-36.2	177	-69.7	-59.8	0	0	0	112.5	A297 M298 K299 K304 G305 E306 V310	A297-H301 PolarHBondContact O-CD2 2.96Å; A297-H301 PolarHBondContact O-N 3.36Å; M298-H301 PolarHBondContact O-N 2.98Å; K299-H301 PolarHBondContact O-N 3.39Å; H301-K304 PolarHBondContact O-N 2.86Å; H301-G305 PolarHBondContact O-N 3.16Å; H301-G305 VanDerWaalsContact O-N 3.14Å; H301-E306 HydrophobicContact CB-CB 4.44Å; H301-E306 IonicContact CE1-OE2 3.47Å; H301-E306 IonicContact ND1-OE2 2.92Å; H301-E306 PolarHBondContact ND1-OE2 2.65Å; H301-E306 PolarHBondContact O-N 3.22Å; H301-V310 HydrophobicContact CB-CG2 3.57Å
302	V	64	Low	69.6	Low	18 Å²	18	58.5 Å²	58.5	11%	0.109	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-44.5	173.9	170.4	0	0	0	0	111.1	M298 K299 K304 G305 V310 W345 C372	M298-V302 VanDerWaalsContact O-CG2 3.28Å; M298-V302 WeakPolarHBondContact O-CG2 3.46Å; M298-V302 PolarHBondContact O-N 3.09Å; K299-V302 PolarHBondContact O-N 3.25Å; V302-K304 PolarHBondContact O-N 3.08Å; V302-G305 PolarHBondContact O-N 2.86Å; V302-V310 HydrophobicContact CG2-CG2 3.96Å; V302-W345 HydrophobicContact CG1-CZ2 4.35Å; V302-C372 HydrophobicContact CG1-CB 3.8Å
303	E	63.9	Low	69.5	Low	120 Å²	120	55.7 Å²	55.7	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-60.9	-26.2	176.5	-73.1	170.3	179.9	0	0	112.7	K299 S300	K299-E303 WeakPolarHBondContact CE-OE1 3.46Å; K299-E303 WeakPolarHBondContact O-CG 3.25Å; K299-E303 PolarHBondContact O-N 3.19Å; S300-E303 PolarHBondContact O-N 3.01Å
304	K	69.1	Low	69	Low	134 Å²	134	53.2 Å²	53.2	58%	0.583	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.6	175.5	-67.4	172.4	-177.8	179.5	0	114.1	S300 H301 V302 E306	S300-K304 VanDerWaalsContact O-CG 3.32Å; S300-K304 WeakPolarHBondContact O-CG 3.47Å; S300-K304 PolarHBondContact O-N 3.3Å; H301-K304 PolarHBondContact O-N 2.86Å; V302-K304 PolarHBondContact O-N 3.08Å; K304-E306 VanDerWaalsContact C-N 3.3Å; K304-E306 HydrophobicContact CB-CG 4.01Å
305	G	61.2	Low	68.8	Low	34 Å²	34	55 Å²	55	35%	0.351	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	13.7	-173.6	0	0	0	0	0	114.8	H301 V302 Y307	H301-G305 PolarHBondContact O-N 3.16Å; H301-G305 VanDerWaalsContact O-N 3.14Å; V302-G305 PolarHBondContact O-N 2.86Å; G305-Y307 VanDerWaalsContact C-N 3.31Å; G305-Y307 WeakPolarHBondContact O-CD2 3.43Å; G305-Y307 WeakPolarHBondContact O-CE2 3.48Å; G305-Y307 PolarHBondContact O-N 3.48Å; G305-Y307 VanDerWaalsContact O-N 3.08Å
306	E	69.9	Low	69.1	Low	79 Å²	79	59.3 Å²	59.3	37%	0.369	31%	0.314	S	S	.	.			trans	-86.2	60.9	-177.3	-65.7	172	168	0	0	111.7	H301 K304 G308 L309 V310	H301-E306 HydrophobicContact CB-CB 4.44Å; H301-E306 IonicContact CE1-OE2 3.47Å; H301-E306 IonicContact ND1-OE2 2.92Å; H301-E306 PolarHBondContact ND1-OE2 2.65Å; H301-E306 PolarHBondContact O-N 3.22Å; K304-E306 VanDerWaalsContact C-N 3.3Å; K304-E306 HydrophobicContact CB-CG 4.01Å; E306-G308 PolarHBondContact O-N 3.47Å; E306-L309 HydrophobicContact CB-CB 4.42Å; E306-L309 HydrophobicContact CB-CD1 4.1Å; E306-L309 HydrophobicContact CB-CG 4.35Å; E306-L309 HydrophobicContact CG-CD1 4.46Å; E306-L309 PolarHBondContact O-N 3.29Å; E306-L309 VanDerWaalsContact O-N 3.11Å; E306-L309 WeakPolarHBondContact OE2-CD1 3.31Å; E306-V310 PolarHBondContact O-N 3.04Å
307	Y	64.9	Low	69.1	Low	36 Å²	36	52.8 Å²	52.8	14%	0.141	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-27.4	-173.7	-49.4	-74.9	0	0	0	114	G305 L309 V310 T311 C372 P374	G305-Y307 VanDerWaalsContact C-N 3.31Å; G305-Y307 WeakPolarHBondContact O-CD2 3.43Å; G305-Y307 WeakPolarHBondContact O-CE2 3.48Å; G305-Y307 PolarHBondContact O-N 3.48Å; G305-Y307 VanDerWaalsContact O-N 3.08Å; Y307-L309 VanDerWaalsContact C-N 3.31Å; Y307-L309 PolarHBondContact O-N 3.43Å; Y307-V310 WeakPolarHBondContact O-CB 3.47Å; Y307-V310 PolarHBondContact O-N 3.31Å; Y307-T311 PolarHBondContact O-N 3.07Å; Y307-T311 PolarHBondContact O-OG1 3.16Å; Y307-C372 PolarHBondContact OH-O 3.33Å; Y307-P374 HydrophobicContact CE2-CB 4.31Å
308	G	67	Low	68.7	Low	41 Å²	41	52 Å²	52	42%	0.423	28%	0.275	S	S	.	.	H	α-helix	trans	-60.5	-41.1	174.3	0	0	0	0	0	112.2	E306 T311 S312	E306-G308 PolarHBondContact O-N 3.47Å; G308-T311 WeakPolarHBondContact O-CB 3.5Å; G308-T311 PolarHBondContact O-N 3.01Å; G308-S312 PolarHBondContact O-N 3.38Å
309	L	75.2	Confident	68.8	Low	79 Å²	79	54.4 Å²	54.4	41%	0.414	29%	0.294	S	S	.	.	H	α-helix	trans	-68.3	-39.8	176.3	-64.5	-178.5	0	0	0	111.4	E306 Y307 T311 S312 E313	E306-L309 HydrophobicContact CB-CB 4.42Å; E306-L309 HydrophobicContact CB-CD1 4.1Å; E306-L309 HydrophobicContact CB-CG 4.35Å; E306-L309 HydrophobicContact CG-CD1 4.46Å; E306-L309 PolarHBondContact O-N 3.29Å; E306-L309 VanDerWaalsContact O-N 3.11Å; E306-L309 WeakPolarHBondContact OE2-CD1 3.31Å; Y307-L309 VanDerWaalsContact C-N 3.31Å; Y307-L309 PolarHBondContact O-N 3.43Å; L309-T311 VanDerWaalsContact C-N 3.25Å; L309-T311 PolarHBondContact O-N 3.38Å; L309-S312 WeakPolarHBondContact O-CB 3.17Å; L309-S312 PolarHBondContact O-N 2.99Å; L309-E313 WeakPolarHBondContact O-CB 3.04Å; L309-E313 WeakPolarHBondContact O-CG 3.38Å; L309-E313 PolarHBondContact O-N 3.23Å
310	V	68.4	Low	68.9	Low	13 Å²	13	53.1 Å²	53.1	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-56.8	-43.1	174.8	-177.4	0	0	0	0	111	M298 H301 V302 E306 Y307 E313 Y314 F419	M298-V310 HydrophobicContact CG-CG1 4.23Å; H301-V310 HydrophobicContact CB-CG2 3.57Å; V302-V310 HydrophobicContact CG2-CG2 3.96Å; E306-V310 PolarHBondContact O-N 3.04Å; Y307-V310 WeakPolarHBondContact O-CB 3.47Å; Y307-V310 PolarHBondContact O-N 3.31Å; V310-E313 PolarHBondContact O-N 3.32Å; V310-Y314 VanDerWaalsContact O-CB 3.26Å; V310-Y314 WeakPolarHBondContact O-CB 3.45Å; V310-Y314 PolarHBondContact O-N 3.07Å; V310-F419 HydrophobicContact CB-CZ 4.35Å; V310-F419 HydrophobicContact CG1-CE1 4.48Å; V310-F419 HydrophobicContact CG1-CZ 3.94Å
311	T	65.2	Low	68.5	Low	14 Å²	14	51.8 Å²	51.8	9%	0.086	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-42.9	178.7	-48.5	0	0	0	0	111.6	Y307 G308 L309 Y314 S315 I415 T418 F419	Y307-T311 PolarHBondContact O-N 3.07Å; Y307-T311 PolarHBondContact O-OG1 3.16Å; G308-T311 WeakPolarHBondContact O-CB 3.5Å; G308-T311 PolarHBondContact O-N 3.01Å; L309-T311 VanDerWaalsContact C-N 3.25Å; L309-T311 PolarHBondContact O-N 3.38Å; T311-Y314 PolarHBondContact O-N 2.98Å; T311-S315 WeakPolarHBondContact O-CB 3.35Å; T311-S315 PolarHBondContact O-N 3.48Å; T311-S315 PolarHBondContact O-OG 3.3Å; T311-I415 WeakPolarHBondContact OG1-CG2 3.09Å; T311-T418 HydrophobicContact CG2-CG2 3.33Å; T311-F419 HydrophobicContact CG2-CE2 4.47Å; T311-F419 HydrophobicContact CG2-CZ 4.47Å; T311-F419 WeakPolarHBondContact OG1-CE2 3.49Å; T311-F419 VanDerWaalsContact OG1-CZ 3.3Å; T311-F419 WeakPolarHBondContact OG1-CZ 3.16Å
312	S	72.8	Confident	68.2	Low	66 Å²	66	53.5 Å²	53.5	46%	0.462	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-49.3	175	175.5	0	0	0	0	111.6	G308 L309 Y314 S315 R316	G308-S312 PolarHBondContact O-N 3.38Å; L309-S312 WeakPolarHBondContact O-CB 3.17Å; L309-S312 PolarHBondContact O-N 2.99Å; S312-Y314 VanDerWaalsContact C-N 3.33Å; S312-Y314 PolarHBondContact O-N 2.89Å; S312-S315 PolarHBondContact O-N 3.35Å; S312-R316 WeakPolarHBondContact O-CB 3.48Å; S312-R316 PolarHBondContact O-N 3.39Å
313	E	72.6	Confident	68.2	Low	39 Å²	39	60.4 Å²	60.4	18%	0.182	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-38.7	179	-67.6	-55.5	154.1	0	0	111.9	F290 L294 M298 L309 V310 R316 A317	F290-E313 WeakPolarHBondContact CE2-OE2 3.45Å; F290-E313 WeakPolarHBondContact CZ-OE2 3.3Å; L294-E313 HydrophobicContact CD1-CB 3.95Å; M298-E313 HydrophobicContact CE-CB 4.5Å; L309-E313 WeakPolarHBondContact O-CB 3.04Å; L309-E313 WeakPolarHBondContact O-CG 3.38Å; L309-E313 PolarHBondContact O-N 3.23Å; V310-E313 PolarHBondContact O-N 3.32Å; E313-R316 PolarHBondContact O-N 3.48Å; E313-A317 WeakPolarHBondContact O-CB 3.47Å; E313-A317 PolarHBondContact O-N 3.18Å
314	Y	69.2	Low	68.2	Low	19 Å²	19	55.5 Å²	55.5	8%	0.075	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-46.6	173.4	-174.9	-119.9	0	0	0	112.2	M298 V310 T311 S312 R316 A317 K318 L338 F342 F419 E428	M298-Y314 HydrophobicContact CE-CD2 3.97Å; M298-Y314 HydrophobicContact CE-CG 4.32Å; V310-Y314 VanDerWaalsContact O-CB 3.26Å; V310-Y314 WeakPolarHBondContact O-CB 3.45Å; V310-Y314 PolarHBondContact O-N 3.07Å; T311-Y314 PolarHBondContact O-N 2.98Å; S312-Y314 VanDerWaalsContact C-N 3.33Å; S312-Y314 PolarHBondContact O-N 2.89Å; Y314-R316 VanDerWaalsContact C-N 3.32Å; Y314-R316 PolarHBondContact O-N 3.05Å; Y314-A317 PolarHBondContact O-N 2.76Å; Y314-K318 HydrophobicContact CD1-CD 4.31Å; Y314-K318 HydrophobicContact CE1-CD 3.96Å; Y314-K318 PolarHBondContact O-N 3.38Å; Y314-K318 WeakPolarHBondContact OH-CE 3.42Å; Y314-K318 PolarHBondContact OH-NZ 3.24Å; Y314-L338 HydrophobicContact CD2-CD2 4.44Å; Y314-L338 HydrophobicContact CE2-CD2 3.57Å; Y314-F342 HydrophobicContact CE2-CE2 4.36Å; Y314-F342 HydrophobicContact CE2-CZ 4.32Å; Y314-F419 HydrophobicContact CD1-CD1 4.45Å; Y314-F419 HydrophobicContact CD1-CE1 4.29Å; Y314-E428 PolarHBondContact OH-OE1 2.99Å
315	S	69.2	Low	67.9	Low	43 Å²	43	57.1 Å²	57.1	30%	0.301	31%	0.314	S	S	.	.	H	α-helix	trans	-64.5	-38.3	179	-57.5	0	0	0	0	111.7	T311 S312 K318 S319	T311-S315 WeakPolarHBondContact O-CB 3.35Å; T311-S315 PolarHBondContact O-N 3.48Å; T311-S315 PolarHBondContact O-OG 3.3Å; S312-S315 PolarHBondContact O-N 3.35Å; S315-K318 PolarHBondContact O-N 3.14Å; S315-S319 PolarHBondContact O-N 2.97Å; S315-S319 PolarHBondContact O-OG 3.29Å
316	R	75.2	Confident	68	Low	140 Å²	140	58.8 Å²	58.8	53%	0.528	32%	0.317	S	S	.	.	H	α-helix	trans	-63.1	-45.3	173	-175.3	-179.1	-175	173.1	5.7	111.7	F290 S312 E313 Y314 K318 S319 L320	F290-R316 HydrophobicContact CE1-CB 4.39Å; F290-R316 HydrophobicContact CE1-CG 4Å; F290-R316 HydrophobicContact CZ-CB 4.25Å; F290-R316 HydrophobicContact CZ-CG 4.08Å; S312-R316 WeakPolarHBondContact O-CB 3.48Å; S312-R316 PolarHBondContact O-N 3.39Å; E313-R316 PolarHBondContact O-N 3.48Å; Y314-R316 VanDerWaalsContact C-N 3.32Å; Y314-R316 PolarHBondContact O-N 3.05Å; R316-K318 VanDerWaalsContact C-N 3.35Å; R316-S319 PolarHBondContact O-N 3.08Å; R316-L320 HydrophobicContact CG-CD1 4.49Å; R316-L320 WeakPolarHBondContact O-CG 3.43Å; R316-L320 PolarHBondContact O-N 2.7Å; R316-L320 VanDerWaalsContact O-N 3.14Å
317	A	71.4	Confident	67.6	Low	4 Å²	4	59.5 Å²	59.5	3%	0.033	33%	0.328	C	S	.	.	H	α-helix	trans	-61.7	-43.1	176.6	0	0	0	0	0	111.7	F290 L291 L294 E313 Y314 L320 L321	F290-A317 HydrophobicContact CE1-CB 3.98Å; L291-A317 HydrophobicContact CD2-CB 3.9Å; L294-A317 HydrophobicContact CD1-CB 4.28Å; L294-A317 HydrophobicContact CD2-CB 3.41Å; L294-A317 VanDerWaalsContact CD2-CB 3.41Å; L294-A317 HydrophobicContact CG-CB 4.48Å; E313-A317 WeakPolarHBondContact O-CB 3.47Å; E313-A317 PolarHBondContact O-N 3.18Å; Y314-A317 PolarHBondContact O-N 2.76Å; A317-L320 PolarHBondContact O-N 3.03Å; A317-L321 VanDerWaalsContact O-CG 3.23Å; A317-L321 WeakPolarHBondContact O-CG 3.14Å; A317-L321 PolarHBondContact O-N 2.87Å; A317-L321 VanDerWaalsContact O-N 3.13Å
318	K	66	Low	67.5	Low	18 Å²	18	64.3 Å²	64.3	8%	0.078	36%	0.356	C	S	.	.	H	α-helix	trans	-57.5	-48.6	173.4	-80	-176.2	168.8	178.3	0	112.3	Y314 S315 R316 L320 L321 C322 F425 E428	Y314-K318 HydrophobicContact CD1-CD 4.31Å; Y314-K318 HydrophobicContact CE1-CD 3.96Å; Y314-K318 PolarHBondContact O-N 3.38Å; Y314-K318 WeakPolarHBondContact OH-CE 3.42Å; Y314-K318 PolarHBondContact OH-NZ 3.24Å; S315-K318 PolarHBondContact O-N 3.14Å; R316-K318 VanDerWaalsContact C-N 3.35Å; K318-L320 VanDerWaalsContact C-N 3.32Å; K318-L320 PolarHBondContact O-N 2.82Å; K318-L321 PolarHBondContact O-N 3.29Å; K318-C322 PolarHBondContact O-N 3.34Å; K318-F425 HydrophobicContact CB-CD2 4.01Å; K318-F425 HydrophobicContact CB-CE2 3.84Å; K318-F425 HydrophobicContact CD-CD2 4.09Å; K318-F425 HydrophobicContact CG-CD2 4.13Å; K318-F425 HydrophobicContact CG-CE2 4.07Å; K318-E428 WeakPolarHBondContact CE-OE2 3.47Å; K318-E428 IonicContact NZ-OE1 3.75Å; K318-E428 PolarHBondContact NZ-OE1 3.32Å; K318-E428 IonicContact NZ-OE2 2.97Å; K318-E428 PolarHBondContact NZ-OE2 2.97Å
319	S	69.9	Low	67.1	Low	73 Å²	73	63.2 Å²	63.2	51%	0.51	34%	0.34	S	S	.	.	H	α-helix	trans	-58.3	-44.4	-178.9	-56.3	0	0	0	0	111.8	S315 R316 L321 C322 E323	S315-S319 PolarHBondContact O-N 2.97Å; S315-S319 PolarHBondContact O-OG 3.29Å; R316-S319 PolarHBondContact O-N 3.08Å; S319-L321 VanDerWaalsContact C-N 3.3Å; S319-L321 PolarHBondContact O-N 3.01Å; S319-C322 PolarHBondContact O-N 3.25Å; S319-E323 PolarHBondContact O-N 3.23Å
320	L	69	Low	66.4	Low	65 Å²	65	64.7 Å²	64.7	34%	0.34	34%	0.343	S	S	.	.	H	α-helix	trans	-65.6	-31.8	177	-68.8	170.7	0	0	0	113.1	F290 R316 A317 K318 T324	F290-L320 HydrophobicContact CD1-CD1 3.6Å; F290-L320 HydrophobicContact CE1-CD1 4Å; R316-L320 HydrophobicContact CG-CD1 4.49Å; R316-L320 WeakPolarHBondContact O-CG 3.43Å; R316-L320 PolarHBondContact O-N 2.7Å; R316-L320 VanDerWaalsContact O-N 3.14Å; A317-L320 PolarHBondContact O-N 3.03Å; K318-L320 VanDerWaalsContact C-N 3.32Å; K318-L320 PolarHBondContact O-N 2.82Å; L320-T324 PolarHBondContact O-OG1 3.34Å
321	L	64.7	Low	65.8	Low	18 Å²	18	70.5 Å²	70.5	9%	0.094	37%	0.37	C	S	.	.	H	α-helix	trans	-76.1	-35.7	178.8	-69.9	170.1	0	0	0	112.3	L291 A317 K318 S319 E323 T324 L333 L338	L291-L321 HydrophobicContact CD1-CD2 4.04Å; A317-L321 VanDerWaalsContact O-CG 3.23Å; A317-L321 WeakPolarHBondContact O-CG 3.14Å; A317-L321 PolarHBondContact O-N 2.87Å; A317-L321 VanDerWaalsContact O-N 3.13Å; K318-L321 PolarHBondContact O-N 3.29Å; S319-L321 VanDerWaalsContact C-N 3.3Å; S319-L321 PolarHBondContact O-N 3.01Å; L321-E323 VanDerWaalsContact C-N 3.35Å; L321-E323 PolarHBondContact O-N 3.1Å; L321-T324 PolarHBondContact O-N 3.4Å; L321-L333 HydrophobicContact CD1-CB 4.45Å; L321-L333 HydrophobicContact CD2-CB 3.61Å; L321-L333 HydrophobicContact CD2-CD1 3.68Å; L321-L333 HydrophobicContact CD2-CD2 4.41Å; L321-L333 HydrophobicContact CD2-CG 4.09Å; L321-L338 HydrophobicContact CD1-CD1 4.13Å
322	C	62.6	Low	65.1	Low	70 Å²	70	71.7 Å²	71.7	47%	0.473	38%	0.384	S	S	.	.	H	α-helix	trans	-58.6	-44.3	175.5	-86.8	0	0	0	0	112.6	K318 S319 T324 F425	K318-C322 PolarHBondContact O-N 3.34Å; S319-C322 PolarHBondContact O-N 3.25Å; C322-T324 PolarHBondContact O-N 2.9Å; C322-F425 HydrophobicContact CB-CE2 4.48Å; C322-F425 VanDerWaalsContact SG-CD2 3.53Å; C322-F425 WeakPolarHBondContact SG-CE2 3.44Å
323	E	63.9	Low	64.1	Low	163 Å²	163	68.9 Å²	68.9	76%	0.762	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.1	-176.4	-66	-175.9	171	0	0	113.3	S319 L321 E325	S319-E323 PolarHBondContact O-N 3.23Å; L321-E323 VanDerWaalsContact C-N 3.35Å; L321-E323 PolarHBondContact O-N 3.1Å; E323-E325 PolarHBondContact O-N 2.88Å
324	T	65.1	Low	62.9	Low	17 Å²	17	69.9 Å²	69.9	10%	0.104	37%	0.373	C	S	.	.			trans	-88.2	113.3	-172.8	-62.9	0	0	0	0	111.2	F288 L320 L321 C322 V326 L329 K330	F288-T324 HydrophobicContact CZ-CG2 4.42Å; L320-T324 PolarHBondContact O-OG1 3.34Å; L321-T324 PolarHBondContact O-N 3.4Å; C322-T324 PolarHBondContact O-N 2.9Å; T324-V326 VanDerWaalsContact C-N 3.28Å; T324-V326 HydrophobicContact CG2-CB 3.75Å; T324-V326 HydrophobicContact CG2-CG2 3.84Å; T324-V326 PolarHBondContact O-N 2.95Å; T324-L329 HydrophobicContact CG2-CB 3.88Å; T324-L329 HydrophobicContact CG2-CD1 3.6Å; T324-L329 HydrophobicContact CG2-CG 4.35Å; T324-K330 WeakPolarHBondContact O-CE 3.21Å
325	E	61.8	Low	61.7	Low	169 Å²	169	75.5 Å²	75.5	79%	0.79	40%	0.398	S	S	*	.			trans	-77.4	-9.7	174.9	-67.4	-172.1	163.2	0	0	114.3	E323 P327	E323-E325 PolarHBondContact O-N 2.88Å; E325-P327 VanDerWaalsContact O-CD 3.25Å; E325-P327 WeakPolarHBondContact O-CD 3.49Å
326	V	65	Low	60.5	Low	69 Å²	69	74.5 Å²	74.5	42%	0.418	39%	0.394	S	S	.	.			trans	-66.1	115.4	-174.7	-177.6	0	0	0	0	110.6	T324 L328 L329 K330	T324-V326 VanDerWaalsContact C-N 3.28Å; T324-V326 HydrophobicContact CG2-CB 3.75Å; T324-V326 HydrophobicContact CG2-CG2 3.84Å; T324-V326 PolarHBondContact O-N 2.95Å; V326-L328 VanDerWaalsContact C-N 3.31Å; V326-L328 HydrophobicContact CG1-CB 4.24Å; V326-L328 PolarHBondContact O-N 2.72Å; V326-L329 HydrophobicContact CB-CB 4.1Å; V326-L329 HydrophobicContact CB-CD1 3.85Å; V326-L329 HydrophobicContact CB-CG 4.05Å; V326-L329 HydrophobicContact CG1-CB 4.31Å; V326-L329 HydrophobicContact CG1-CD1 4.06Å; V326-L329 HydrophobicContact CG1-CG 3.93Å; V326-L329 HydrophobicContact CG2-CD1 4.11Å; V326-L329 PolarHBondContact O-N 3.04Å; V326-K330 PolarHBondContact O-N 3.01Å
327	P	61.1	Low	59.2	Low	93 Å²	93	70 Å²	70	60%	0.604	38%	0.38	S	S	*	.	H	α-helix	trans	-58.9	-40.6	-176.2	-23.8	32.7	0	0	0	112.9	E325 L329 K330 E331	E325-P327 VanDerWaalsContact O-CD 3.25Å; E325-P327 WeakPolarHBondContact O-CD 3.49Å; P327-L329 VanDerWaalsContact C-N 3.27Å; P327-L329 PolarHBondContact O-N 3.3Å; P327-K330 CarbonylContact O-C 3.59Å; P327-K330 PolarHBondContact O-N 2.97Å; P327-E331 PolarHBondContact O-N 3.26Å
328	L	62.7	Low	57.9	Low	138 Å²	138	71.2 Å²	71.2	72%	0.723	39%	0.386	S	S	*	.	H	α-helix	trans	-60.7	-36.7	177.3	-171.1	77.7	0	0	0	112.1	V326 G332	V326-L328 VanDerWaalsContact C-N 3.31Å; V326-L328 HydrophobicContact CG1-CB 4.24Å; V326-L328 PolarHBondContact O-N 2.72Å; L328-G332 VanDerWaalsContact O-CA 3.28Å; L328-G332 WeakPolarHBondContact O-CA 3.18Å; L328-G332 PolarHBondContact O-N 2.94Å
329	L	58.9	Low	56.7	Low	17 Å²	17	76.3 Å²	76.3	9%	0.089	41%	0.408	C	S	.	.	H	α-helix	trans	-76.6	-39.6	177.1	-64.8	173	0	0	0	110.1	F288 T324 V326 P327 L333	F288-L329 HydrophobicContact CD1-CD1 4.42Å; F288-L329 HydrophobicContact CD2-CD1 3.93Å; F288-L329 HydrophobicContact CE1-CD1 3.94Å; F288-L329 HydrophobicContact CE2-CD1 3.4Å; F288-L329 VanDerWaalsContact CE2-CD1 3.4Å; F288-L329 HydrophobicContact CG-CD1 4.41Å; F288-L329 HydrophobicContact CZ-CD1 3.4Å; T324-L329 HydrophobicContact CG2-CB 3.88Å; T324-L329 HydrophobicContact CG2-CD1 3.6Å; T324-L329 HydrophobicContact CG2-CG 4.35Å; V326-L329 HydrophobicContact CB-CB 4.1Å; V326-L329 HydrophobicContact CB-CD1 3.85Å; V326-L329 HydrophobicContact CB-CG 4.05Å; V326-L329 HydrophobicContact CG1-CB 4.31Å; V326-L329 HydrophobicContact CG1-CD1 4.06Å; V326-L329 HydrophobicContact CG1-CG 3.93Å; V326-L329 HydrophobicContact CG2-CD1 4.11Å; V326-L329 PolarHBondContact O-N 3.04Å; P327-L329 VanDerWaalsContact C-N 3.27Å; P327-L329 PolarHBondContact O-N 3.3Å; L329-L333 HydrophobicContact CB-CD1 3.78Å; L329-L333 HydrophobicContact CD2-CD1 3.29Å; L329-L333 HydrophobicContact CG-CD1 4.09Å; L329-L333 VanDerWaalsContact O-CB 3.22Å; L329-L333 WeakPolarHBondContact O-CB 3.33Å; L329-L333 PolarHBondContact O-N 3.34Å
330	K	59.8	Low	55.4	Low	110 Å²	110	81.8 Å²	81.8	48%	0.478	42%	0.418	S	S	.	.	H	α-helix	trans	-58.1	-48.6	171.8	-78.5	-175.2	176.1	176.8	0	112.1	T324 V326 P327 T334	T324-K330 WeakPolarHBondContact O-CE 3.21Å; V326-K330 PolarHBondContact O-N 3.01Å; P327-K330 CarbonylContact O-C 3.59Å; P327-K330 PolarHBondContact O-N 2.97Å; K330-T334 WeakPolarHBondContact O-CB 3.48Å; K330-T334 PolarHBondContact O-N 2.91Å; K330-T334 PolarHBondContact O-OG1 3.13Å
331	E	55.5	Low	54.1	Low	136 Å²	136	80 Å²	80	64%	0.636	41%	0.408	S	S	*	.	H	α-helix	trans	-76.2	-51.5	179.7	-71.3	-175.3	170.7	0	0	111.9	P327 L333 F335	P327-E331 PolarHBondContact O-N 3.26Å; E331-L333 PolarHBondContact O-N 3.33Å; E331-F335 WeakPolarHBondContact O-CB 3.49Å; E331-F335 PolarHBondContact O-N 3.06Å
332	G	51	Low	52.9	Low	38 Å²	38	82 Å²	82	39%	0.392	42%	0.416	S	S	.	.	I	π-helix	trans	-66.7	-36.6	-173.2	0	0	0	0	0	114.2	L328 G336 I337	L328-G332 VanDerWaalsContact O-CA 3.28Å; L328-G332 WeakPolarHBondContact O-CA 3.18Å; L328-G332 PolarHBondContact O-N 2.94Å; G332-G336 CarbonylContact O-C 3.59Å; G332-G336 WeakPolarHBondContact O-CA 3.36Å; G332-G336 PolarHBondContact O-N 2.69Å; G332-I337 PolarHBondContact O-N 2.75Å; G332-I337 VanDerWaalsContact O-N 3.11Å
333	L	50.8	Low	51.7	Low	8 Å²	8	83.5 Å²	83.5	4%	0.042	42%	0.416	C	S	.	.	I	π-helix	trans	-89	-44.6	179.4	-73.1	140.1	0	0	0	112.5	L291 L321 L329 E331 I337 L338	L291-L333 HydrophobicContact CB-CD2 4.03Å; L291-L333 HydrophobicContact CD1-CD1 3.92Å; L291-L333 HydrophobicContact CD1-CD2 4.1Å; L321-L333 HydrophobicContact CD1-CB 4.45Å; L321-L333 HydrophobicContact CD2-CB 3.61Å; L321-L333 HydrophobicContact CD2-CD1 3.68Å; L321-L333 HydrophobicContact CD2-CD2 4.41Å; L321-L333 HydrophobicContact CD2-CG 4.09Å; L329-L333 HydrophobicContact CB-CD1 3.78Å; L329-L333 HydrophobicContact CD2-CD1 3.29Å; L329-L333 HydrophobicContact CG-CD1 4.09Å; L329-L333 VanDerWaalsContact O-CB 3.22Å; L329-L333 WeakPolarHBondContact O-CB 3.33Å; L329-L333 PolarHBondContact O-N 3.34Å; E331-L333 PolarHBondContact O-N 3.33Å; L333-I337 HydrophobicContact CD2-CB 3.93Å; L333-I337 HydrophobicContact CD2-CD1 3.24Å; L333-I337 HydrophobicContact CD2-CG1 4.11Å; L333-I337 HydrophobicContact CD2-CG2 4.17Å; L333-I337 HydrophobicContact CG-CD1 3.85Å; L333-I337 PolarHBondContact O-N 3.01Å; L333-L338 PolarHBondContact O-N 2.92Å
334	T	48.1	Very low	50.4	Low	59 Å²	59	83.3 Å²	83.3	36%	0.362	41%	0.413	S	S	.	.	I	π-helix	trans	-65.7	-44.3	-178.9	-37.5	0	0	0	0	111.2	K330	K330-T334 WeakPolarHBondContact O-CB 3.48Å; K330-T334 PolarHBondContact O-N 2.91Å; K330-T334 PolarHBondContact O-OG1 3.13Å
335	F	45	Very low	49	Very low	138 Å²	138	85.8 Å²	85.8	61%	0.605	42%	0.42	S	S	*	.	I	π-helix	trans	-90.4	-36	177.4	-69.7	-83.9	0	0	0	113.7	E331 K339	E331-F335 WeakPolarHBondContact O-CB 3.49Å; E331-F335 PolarHBondContact O-N 3.06Å; F335-K339 WeakPolarHBondContact O-CB 3.13Å; F335-K339 WeakPolarHBondContact O-CD 3.5Å; F335-K339 WeakPolarHBondContact O-CG 3.15Å
336	G	43.1	Very low	47.7	Very low	21 Å²	21	78.8 Å²	78.8	22%	0.216	39%	0.388	C	S	.	.	I	π-helix	trans	-91	-61.3	-169.2	0	0	0	0	0	113.4	G332 R340	G332-G336 CarbonylContact O-C 3.59Å; G332-G336 WeakPolarHBondContact O-CA 3.36Å; G332-G336 PolarHBondContact O-N 2.69Å; G336-R340 WeakPolarHBondContact O-CA 3.19Å; G336-R340 WeakPolarHBondContact O-CB 3.06Å; G336-R340 WeakPolarHBondContact O-CG 3.33Å; G336-R340 PolarHBondContact O-N 3.42Å
337	I	46.9	Very low	46	Very low	45 Å²	45	81.7 Å²	81.7	23%	0.231	40%	0.401	C	S	.	.	I	π-helix	trans	-75.1	-42.9	-173.3	-72.1	166.5	0	0	0	111.6	F292 G332 L333 R340 L341	F292-I337 HydrophobicContact CE1-CD1 4.47Å; G332-I337 PolarHBondContact O-N 2.75Å; G332-I337 VanDerWaalsContact O-N 3.11Å; L333-I337 HydrophobicContact CD2-CB 3.93Å; L333-I337 HydrophobicContact CD2-CD1 3.24Å; L333-I337 HydrophobicContact CD2-CG1 4.11Å; L333-I337 HydrophobicContact CD2-CG2 4.17Å; L333-I337 HydrophobicContact CG-CD1 3.85Å; L333-I337 PolarHBondContact O-N 3.01Å; I337-R340 PolarHBondContact O-N 3.15Å; I337-L341 HydrophobicContact CG2-CD1 3.6Å; I337-L341 HydrophobicContact CG2-CG 4.19Å; I337-L341 WeakPolarHBondContact O-CB 3.23Å; I337-L341 WeakPolarHBondContact O-CD1 3.46Å; I337-L341 VanDerWaalsContact O-CG 3.29Å; I337-L341 WeakPolarHBondContact O-CG 3.45Å; I337-L341 PolarHBondContact O-N 3.3Å
338	L	45.3	Very low	44.9	Very low	30 Å²	30	85.9 Å²	85.9	16%	0.157	41%	0.406	C	S	.	.	H	α-helix	trans	-61.5	-53.1	175	-82.5	159.3	0	0	0	110.3	Y314 L321 L333 R340 L341 F342	Y314-L338 HydrophobicContact CD2-CD2 4.44Å; Y314-L338 HydrophobicContact CE2-CD2 3.57Å; L321-L338 HydrophobicContact CD1-CD1 4.13Å; L333-L338 PolarHBondContact O-N 2.92Å; L338-R340 PolarHBondContact O-N 2.89Å; L338-L341 WeakPolarHBondContact O-CB 3.2Å; L338-L341 PolarHBondContact O-N 3.44Å; L338-F342 HydrophobicContact CD2-CE2 4.07Å; L338-F342 WeakPolarHBondContact O-CB 3.33Å; L338-F342 WeakPolarHBondContact O-CD2 3.42Å; L338-F342 PolarHBondContact O-N 3.35Å
339	K	41.4	Very low	43.4	Very low	126 Å²	126	79.6 Å²	79.6	55%	0.548	37%	0.373	S	S	.	.	H	α-helix	trans	-58.3	-43.1	173.9	-76	-172.5	169	-178.9	0	112.5	F335 F342 H343	F335-K339 WeakPolarHBondContact O-CB 3.13Å; F335-K339 WeakPolarHBondContact O-CD 3.5Å; F335-K339 WeakPolarHBondContact O-CG 3.15Å; K339-F342 CarbonylContact O-C 3.53Å; K339-F342 PolarHBondContact O-N 3.15Å; K339-H343 WeakPolarHBondContact O-CA 3.21Å; K339-H343 WeakPolarHBondContact O-CB 3.49Å; K339-H343 PolarHBondContact O-N 3.03Å
340	R	41.1	Very low	41.9	Very low	188 Å²	188	85.1 Å²	85.1	71%	0.709	40%	0.402	S	S	*	.	H	α-helix	trans	-71.9	-32.1	-178	-75.7	176.6	-169.9	-161.6	4.7	113.4	G336 I337 L338 F342 H343 K344	G336-R340 WeakPolarHBondContact O-CA 3.19Å; G336-R340 WeakPolarHBondContact O-CB 3.06Å; G336-R340 WeakPolarHBondContact O-CG 3.33Å; G336-R340 PolarHBondContact O-N 3.42Å; I337-R340 PolarHBondContact O-N 3.15Å; L338-R340 PolarHBondContact O-N 2.89Å; R340-F342 VanDerWaalsContact C-N 3.3Å; R340-H343 PolarHBondContact O-N 3.31Å; R340-K344 WeakPolarHBondContact O-CB 3.11Å; R340-K344 PolarHBondContact O-N 3.05Å
341	L	42.5	Very low	40.4	Very low	27 Å²	27	81.6 Å²	81.6	14%	0.141	39%	0.39	C	S	.	.	H	α-helix	trans	-55.6	-53.2	167.5	-91.7	160.3	0	0	0	108.8	L294 P295 M298 I337 L338 H343 W345	L294-L341 HydrophobicContact CD2-CD1 4.36Å; P295-L341 HydrophobicContact CB-CD2 3.29Å; P295-L341 HydrophobicContact CB-CG 4.15Å; P295-L341 HydrophobicContact CG-CD1 4.21Å; P295-L341 HydrophobicContact CG-CD2 3.46Å; P295-L341 VanDerWaalsContact CG-CD2 3.46Å; P295-L341 HydrophobicContact CG-CG 3.83Å; M298-L341 HydrophobicContact SD-CD2 4.33Å; I337-L341 HydrophobicContact CG2-CD1 3.6Å; I337-L341 HydrophobicContact CG2-CG 4.19Å; I337-L341 WeakPolarHBondContact O-CB 3.23Å; I337-L341 WeakPolarHBondContact O-CD1 3.46Å; I337-L341 VanDerWaalsContact O-CG 3.29Å; I337-L341 WeakPolarHBondContact O-CG 3.45Å; I337-L341 PolarHBondContact O-N 3.3Å; L338-L341 WeakPolarHBondContact O-CB 3.2Å; L338-L341 PolarHBondContact O-N 3.44Å; L341-H343 VanDerWaalsContact C-N 3.34Å; L341-H343 PolarHBondContact O-N 2.96Å; L341-W345 WeakPolarHBondContact O-CB 3.42Å; L341-W345 PolarHBondContact O-N 3.03Å
342	F	39.1	Very low	39.1	Very low	60 Å²	60	87 Å²	87	26%	0.263	41%	0.405	S	S	.	.	H	α-helix	trans	-67.4	-30	178.2	-77.2	-64.2	0	0	0	113	Y314 L338 K339 R340 W345 H346 F360	Y314-F342 HydrophobicContact CE2-CE2 4.36Å; Y314-F342 HydrophobicContact CE2-CZ 4.32Å; L338-F342 HydrophobicContact CD2-CE2 4.07Å; L338-F342 WeakPolarHBondContact O-CB 3.33Å; L338-F342 WeakPolarHBondContact O-CD2 3.42Å; L338-F342 PolarHBondContact O-N 3.35Å; K339-F342 CarbonylContact O-C 3.53Å; K339-F342 PolarHBondContact O-N 3.15Å; R340-F342 VanDerWaalsContact C-N 3.3Å; F342-W345 WeakPolarHBondContact O-CB 3.4Å; F342-H346 PolarHBondContact O-N 3.36Å; F342-F360 VanDerWaalsContact C-CE1 3.47Å; F342-F360 HydrophobicContact CB-CB 4.44Å; F342-F360 HydrophobicContact CB-CD1 3.48Å; F342-F360 VanDerWaalsContact CB-CD1 3.48Å; F342-F360 HydrophobicContact CB-CE1 3.67Å; F342-F360 HydrophobicContact CB-CG 3.93Å; F342-F360 HydrophobicContact CB-CZ 4.31Å; F342-F360 HydrophobicContact CD1-CB 4.01Å; F342-F360 HydrophobicContact CD1-CD1 4.43Å; F342-F360 HydrophobicContact CD1-CG 4.41Å; F342-F360 HydrophobicContact CG-CB 4.4Å; F342-F360 HydrophobicContact CG-CD1 4.31Å; F342-F360 HydrophobicContact CG-CG 4.36Å; F342-F360 WeakPolarHBondContact O-CD1 3.3Å; F342-F360 VanDerWaalsContact O-CE1 3.32Å; F342-F360 WeakPolarHBondContact O-CE1 3.09Å
343	H	37	Very low	38	Very low	101 Å²	101	88.5 Å²	88.5	47%	0.468	41%	0.409	S	S	.	.	H	α-helix	trans	-85.3	-34	179.9	-150.6	75.6	0	0	0	113	K339 R340 L341 W345 H346 N347	K339-H343 WeakPolarHBondContact O-CA 3.21Å; K339-H343 WeakPolarHBondContact O-CB 3.49Å; K339-H343 PolarHBondContact O-N 3.03Å; R340-H343 PolarHBondContact O-N 3.31Å; L341-H343 VanDerWaalsContact C-N 3.34Å; L341-H343 PolarHBondContact O-N 2.96Å; H343-W345 PolarHBondContact O-N 2.69Å; H343-H346 CarbonylContact O-C 3.59Å; H343-H346 WeakPolarHBondContact O-CA 3.37Å; H343-H346 WeakPolarHBondContact O-CB 3.39Å; H343-H346 PolarHBondContact O-N 3.36Å; H343-N347 PolarHBondContact O-N 3.22Å
344	K	36.6	Very low	37	Very low	160 Å²	160	92.1 Å²	92.1	70%	0.696	45%	0.448	S	S	*	.	H	α-helix	trans	-65.4	-33.5	165.7	-98.2	-173.2	172.3	-177.5	0	110.3	R340 H346 N347 Y348	R340-K344 WeakPolarHBondContact O-CB 3.11Å; R340-K344 PolarHBondContact O-N 3.05Å; K344-H346 VanDerWaalsContact C-N 3.32Å; K344-N347 PolarHBondContact O-N 3.16Å; K344-Y348 PolarHBondContact O-N 3.48Å
345	W	36.7	Very low	36.4	Very low	69 Å²	69	90.4 Å²	90.4	26%	0.261	44%	0.439	S	S	.	.	H	α-helix	trans	-56.3	-48.9	165	-117.5	66.5	0	0	0	110.8	V302 L341 F342 H343 N347 Y348 S349 V364	V302-W345 HydrophobicContact CG1-CZ2 4.35Å; L341-W345 WeakPolarHBondContact O-CB 3.42Å; L341-W345 PolarHBondContact O-N 3.03Å; F342-W345 WeakPolarHBondContact O-CB 3.4Å; H343-W345 PolarHBondContact O-N 2.69Å; W345-N347 VanDerWaalsContact C-N 3.25Å; W345-N347 PolarHBondContact O-N 3.36Å; W345-N347 VanDerWaalsContact O-N 3.17Å; W345-Y348 PolarHBondContact O-N 3.19Å; W345-S349 PolarHBondContact O-N 3.18Å; W345-S349 PolarHBondContact O-OG 3.11Å; W345-V364 HydrophobicContact CE3-CG2 3.92Å; W345-V364 HydrophobicContact CH2-CB 3.61Å; W345-V364 HydrophobicContact CH2-CG1 3.61Å; W345-V364 HydrophobicContact CH2-CG2 3.26Å; W345-V364 HydrophobicContact CZ2-CG2 4.26Å; W345-V364 HydrophobicContact CZ3-CB 3.62Å; W345-V364 HydrophobicContact CZ3-CG1 4.17Å; W345-V364 HydrophobicContact CZ3-CG2 3.04Å
346	H	34.2	Very low	36	Very low	22 Å²	22	88.4 Å²	88.4	10%	0.102	44%	0.442	C	S	.	.	H	α-helix	trans	-57.1	-26.4	174.8	-151.3	-52.4	0	0	0	115.5	F342 H343 K344 S349 C351	F342-H346 PolarHBondContact O-N 3.36Å; H343-H346 CarbonylContact O-C 3.59Å; H343-H346 WeakPolarHBondContact O-CA 3.37Å; H343-H346 WeakPolarHBondContact O-CB 3.39Å; H343-H346 PolarHBondContact O-N 3.36Å; K344-H346 VanDerWaalsContact C-N 3.32Å; H346-S349 CarbonylContact C-O 3.53Å; H346-S349 WeakPolarHBondContact CA-OG 3.35Å; H346-C351 VanDerWaalsContact CE1-CB 3.46Å; H346-C351 WeakPolarHBondContact CE1-CB 3.36Å
347	N	30.2	Very low	35.7	Very low	129 Å²	129	93 Å²	93	69%	0.69	46%	0.462	S	S	*	.	H	α-helix	trans	-86.9	-23.7	175.3	-89.5	-16.6	0	0	0	113.4	H343 K344 W345	H343-N347 PolarHBondContact O-N 3.22Å; K344-N347 PolarHBondContact O-N 3.16Å; W345-N347 VanDerWaalsContact C-N 3.25Å; W345-N347 PolarHBondContact O-N 3.36Å; W345-N347 VanDerWaalsContact O-N 3.17Å
348	Y	36.9	Very low	35.1	Very low	182 Å²	182	92.1 Å²	92.1	71%	0.714	46%	0.464	S	S	*	.	H	α-helix	trans	-85.1	-32	171.1	-94.5	-83.7	0	0	0	111.9	K344 W345 I350	K344-Y348 PolarHBondContact O-N 3.48Å; W345-Y348 PolarHBondContact O-N 3.19Å; Y348-I350 PolarHBondContact O-N 2.97Å
349	S	32.4	Very low	34.6	Very low	6 Å²	6	95.8 Å²	95.8	4%	0.042	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	95.2	168.5	59.1	0	0	0	0	108.9	W345 H346 C351 I363	W345-S349 PolarHBondContact O-N 3.18Å; W345-S349 PolarHBondContact O-OG 3.11Å; H346-S349 CarbonylContact C-O 3.53Å; H346-S349 WeakPolarHBondContact CA-OG 3.35Å; S349-C351 PolarHBondContact O-N 3.08Å; S349-I363 VanDerWaalsContact CB-CG2 3.49Å
350	I	26.3	Very low	34.3	Very low	133 Å²	133	91.8 Å²	91.8	68%	0.682	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	84.2	179.4	-60.9	163.4	0	0	0	110.3	Y348	Y348-I350 PolarHBondContact O-N 2.97Å
351	C	28.2	Very low	34.2	Very low	36 Å²	36	83.9 Å²	83.9	24%	0.243	43%	0.434	C	S	.	.			trans	-103.5	99.1	174.9	-120.5	0	0	0	0	107	H346 S349 S353 I363	H346-C351 VanDerWaalsContact CE1-CB 3.46Å; H346-C351 WeakPolarHBondContact CE1-CB 3.36Å; S349-C351 PolarHBondContact O-N 3.08Å; C351-S353 PolarHBondContact O-N 3.15Å; C351-I363 HydrophobicContact CB-CD1 4.46Å
352	R	27.4	Very low	33.8	Very low	250 Å²	250	83.4 Å²	83.4	94%	0.943	43%	0.431	S	S	*	.			trans	-69.3	-6.4	169.9	-93.1	-177.5	173	165.5	-1.7	113.5
353	S	29.8	Very low	33.7	Very low	68 Å²	68	81.6 Å²	81.6	48%	0.476	42%	0.424	S	S	.	.	S	Bend	trans	-100.4	110.8	179	58.9	0	0	0	0	110.7	C351 C355	C351-S353 PolarHBondContact O-N 3.15Å; S353-C355 PolarHBondContact O-N 2.63Å
354	G	28.8	Very low	33.7	Very low	84 Å²	84	78.3 Å²	78.3	87%	0.866	41%	0.411	S	S	*	.			trans	-51.1	108.3	175.3	0	0	0	0	0	112
355	C	36.3	Very low	33.8	Very low	23 Å²	23	71.7 Å²	71.7	16%	0.155	38%	0.381	C	S	.	.			trans	-117.6	98.3	-179.5	-90.9	0	0	0	0	110	S353 K359	S353-C355 PolarHBondContact O-N 2.63Å; C355-K359 HydrophobicContact CB-CB 4.25Å; C355-K359 HydrophobicContact CB-CG 4.41Å; C355-K359 WeakPolarHBondContact SG-CD 3.35Å; C355-K359 VanDerWaalsContact SG-CE 3.56Å
356	S	35.9	Very low	33.7	Very low	97 Å²	97	71.3 Å²	71.3	68%	0.678	38%	0.384	S	S	*	.			trans	-79.4	-21.1	178.2	41.6	0	0	0	0	113.9
357	D	35.8	Very low	33.8	Very low	118 Å²	118	75.1 Å²	75.1	63%	0.631	40%	0.399	S	S	*	.	S	Bend	trans	-130.1	72.1	-161.2	-64.5	-59.5	0	0	0	114.4	K359 Y437	D357-K359 VanDerWaalsContact C-N 3.34Å; D357-K359 PolarHBondContact O-N 3.19Å; D357-Y437 PolarHBondContact O-OH 3.46Å
358	G	34.8	Very low	34.1	Very low	26 Å²	26	74 Å²	74	27%	0.268	40%	0.401	S	S	.	.	S	Bend	trans	78.9	5.6	158.7	0	0	0	0	0	116.8	F360 Y437	G358-F360 PolarHBondContact O-N 3.16Å; G358-Y437 WeakPolarHBondContact O-CE1 3.41Å
359	K	34.8	Very low	34.2	Very low	106 Å²	106	67.6 Å²	67.6	46%	0.461	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	13.5	174.5	-57.6	-152.7	-159	169.1	0	114.4	C355 D357 Y437	C355-K359 HydrophobicContact CB-CB 4.25Å; C355-K359 HydrophobicContact CB-CG 4.41Å; C355-K359 WeakPolarHBondContact SG-CD 3.35Å; C355-K359 VanDerWaalsContact SG-CE 3.56Å; D357-K359 VanDerWaalsContact C-N 3.34Å; D357-K359 PolarHBondContact O-N 3.19Å; K359-Y437 HydrophobicContact CG-CE1 4.42Å
360	F	36.2	Very low	34.5	Very low	42 Å²	42	68.7 Å²	68.7	18%	0.184	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-41.2	-168.8	-76.1	-74.7	0	0	0	114.7	F342 G358 L362	F342-F360 VanDerWaalsContact C-CE1 3.47Å; F342-F360 HydrophobicContact CB-CB 4.44Å; F342-F360 HydrophobicContact CB-CD1 3.48Å; F342-F360 VanDerWaalsContact CB-CD1 3.48Å; F342-F360 HydrophobicContact CB-CE1 3.67Å; F342-F360 HydrophobicContact CB-CG 3.93Å; F342-F360 HydrophobicContact CB-CZ 4.31Å; F342-F360 HydrophobicContact CD1-CB 4.01Å; F342-F360 HydrophobicContact CD1-CD1 4.43Å; F342-F360 HydrophobicContact CD1-CG 4.41Å; F342-F360 HydrophobicContact CG-CB 4.4Å; F342-F360 HydrophobicContact CG-CD1 4.31Å; F342-F360 HydrophobicContact CG-CG 4.36Å; F342-F360 WeakPolarHBondContact O-CD1 3.3Å; F342-F360 VanDerWaalsContact O-CE1 3.32Å; F342-F360 WeakPolarHBondContact O-CE1 3.09Å; G358-F360 PolarHBondContact O-N 3.16Å; F360-L362 VanDerWaalsContact C-N 3.28Å; F360-L362 PolarHBondContact O-N 2.82Å
361	V	37.8	Very low	34.9	Very low	23 Å²	23	67.3 Å²	67.3	14%	0.139	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-23.5	-172.7	-172.2	0	0	0	0	112	V364 F419 L420 L431	V361-V364 WeakPolarHBondContact O-CG2 3.45Å; V361-F419 HydrophobicContact CG1-CB 4.14Å; V361-L420 HydrophobicContact CB-CD2 3.57Å; V361-L420 HydrophobicContact CG1-CD2 3.29Å; V361-L420 HydrophobicContact CG1-CG 4Å; V361-L420 HydrophobicContact CG2-CD2 4.18Å; V361-L431 HydrophobicContact CB-CD1 4.2Å; V361-L431 HydrophobicContact CG2-CD1 3.72Å
362	L	34.9	Very low	35.5	Very low	17 Å²	17	67.2 Å²	67.2	9%	0.089	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-19.5	-170.9	-68.8	157.9	0	0	0	113.3	F360 V364 W365 Y437 V441 S444	F360-L362 VanDerWaalsContact C-N 3.28Å; F360-L362 PolarHBondContact O-N 2.82Å; L362-V364 PolarHBondContact O-N 3Å; L362-W365 WeakPolarHBondContact O-CB 3.49Å; L362-W365 PolarHBondContact O-N 2.56Å; L362-W365 VanDerWaalsContact O-N 3.15Å; L362-Y437 HydrophobicContact CD1-CD1 4.44Å; L362-V441 HydrophobicContact CD1-CG2 3.88Å; L362-V441 VanDerWaalsContact CD2-CA 3.45Å; L362-V441 HydrophobicContact CD2-CB 4.17Å; L362-V441 HydrophobicContact CD2-CG2 3.8Å; L362-V441 HydrophobicContact CG-CG2 4.41Å; L362-S444 WeakPolarHBondContact CD2-OG 3.24Å
363	I	35.9	Very low	36.7	Very low	21 Å²	21	55.3 Å²	55.3	11%	0.108	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-70.7	-22.1	176	-58.5	163.8	0	0	0	111.4	S349 C351 W365 D366	S349-I363 VanDerWaalsContact CB-CG2 3.49Å; C351-I363 HydrophobicContact CB-CD1 4.46Å; I363-W365 PolarHBondContact O-N 3.36Å; I363-D366 PolarHBondContact O-N 3.42Å
364	V	37.2	Very low	37.9	Very low	32 Å²	32	52.6 Å²	52.6	19%	0.194	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-55	-23.9	171.5	-179.9	0	0	0	0	111.6	W345 V361 L362 C373	W345-V364 HydrophobicContact CE3-CG2 3.92Å; W345-V364 HydrophobicContact CH2-CB 3.61Å; W345-V364 HydrophobicContact CH2-CG1 3.61Å; W345-V364 HydrophobicContact CH2-CG2 3.26Å; W345-V364 HydrophobicContact CZ2-CG2 4.26Å; W345-V364 HydrophobicContact CZ3-CB 3.62Å; W345-V364 HydrophobicContact CZ3-CG1 4.17Å; W345-V364 HydrophobicContact CZ3-CG2 3.04Å; V361-V364 WeakPolarHBondContact O-CG2 3.45Å; L362-V364 PolarHBondContact O-N 3Å; V364-C373 PolarHBondContact O-SG 2.88Å
365	W	38.9	Very low	39.6	Very low	21 Å²	21	48.7 Å²	48.7	8%	0.08	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-102.9	5.5	-168.8	-70.7	70.3	0	0	0	114.5	L362 I363 Y367 P374 Y375 V412 V416 S444 L445 L448	L362-W365 WeakPolarHBondContact O-CB 3.49Å; L362-W365 PolarHBondContact O-N 2.56Å; L362-W365 VanDerWaalsContact O-N 3.15Å; I363-W365 PolarHBondContact O-N 3.36Å; W365-Y367 PolarHBondContact O-N 2.86Å; W365-P374 HydrophobicContact CZ2-CG 4.3Å; W365-Y375 HydrophobicContact CE3-CE1 4.4Å; W365-Y375 WeakPolarHBondContact O-CE2 3.33Å; W365-Y375 PolarHBondContact O-OH 2.73Å; W365-V412 HydrophobicContact CH2-CG1 3.7Å; W365-V412 HydrophobicContact CZ2-CG1 3.96Å; W365-V416 HydrophobicContact CH2-CG2 3.32Å; W365-V416 HydrophobicContact CZ2-CB 4.4Å; W365-V416 HydrophobicContact CZ2-CG2 3.02Å; W365-S444 VanDerWaalsContact CB-CB 3.49Å; W365-S444 VanDerWaalsContact CB-OG 3.23Å; W365-S444 WeakPolarHBondContact CB-OG 3.48Å; W365-S444 VanDerWaalsContact CE3-O 3.26Å; W365-L445 HydrophobicContact CZ3-CD2 4.3Å; W365-L448 HydrophobicContact CE3-CB 4.4Å; W365-L448 HydrophobicContact CH2-CD2 3.89Å; W365-L448 HydrophobicContact CZ3-CB 3.75Å; W365-L448 HydrophobicContact CZ3-CD1 4.48Å; W365-L448 HydrophobicContact CZ3-CD2 3.77Å; W365-L448 HydrophobicContact CZ3-CG 4.21Å
366	D	36.2	Very low	41	Very low	61 Å²	61	49.7 Å²	49.7	33%	0.326	29%	0.285	S	S	.	.			trans	-85	104.8	172.5	-166.7	-11.3	0	0	0	110.1	I363 S368 I369 N370	I363-D366 PolarHBondContact O-N 3.42Å; D366-S368 PolarHBondContact O-N 3.05Å; D366-S368 WeakPolarHBondContact OD1-CB 3.49Å; D366-S368 PolarHBondContact OD1-N 2.9Å; D366-S368 PolarHBondContact OD1-OG 3.46Å; D366-I369 HydrophobicContact CB-CB 4.24Å; D366-I369 HydrophobicContact CB-CD1 3.94Å; D366-I369 HydrophobicContact CB-CG1 4.04Å; D366-I369 PolarHBondContact O-N 3.41Å; D366-I369 WeakPolarHBondContact OD2-CD1 3.4Å; D366-I369 WeakPolarHBondContact OD2-CG1 3.49Å; D366-N370 PolarHBondContact O-N 2.75Å; D366-N370 VanDerWaalsContact O-N 3.11Å
367	Y	34.9	Very low	42.8	Very low	102 Å²	102	46.1 Å²	46.1	40%	0.4	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.9	175.7	-179.8	-99	0	0	0	112	W365 I369 Y375 I454	W365-Y367 PolarHBondContact O-N 2.86Å; Y367-I369 PolarHBondContact O-N 3.17Å; Y367-Y375 AromaticContact CD2-CD2 3.75Å; Y367-Y375 HydrophobicContact CD2-CD2 3.75Å; Y367-Y375 HydrophobicContact CD2-CG 4.18Å; Y367-Y375 HydrophobicContact CG-CD2 4.19Å; Y367-I454 HydrophobicContact CE1-CD1 4.2Å; Y367-I454 HydrophobicContact CE2-CD1 4.45Å
368	S	36.3	Very low	44.9	Very low	105 Å²	105	40.5 Å²	40.5	73%	0.734	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.2	178.5	-32.4	0	0	0	0	112.1	D366	D366-S368 PolarHBondContact O-N 3.05Å; D366-S368 WeakPolarHBondContact OD1-CB 3.49Å; D366-S368 PolarHBondContact OD1-N 2.9Å; D366-S368 PolarHBondContact OD1-OG 3.46Å
369	I	39.7	Very low	46.8	Very low	48 Å²	48	39.4 Å²	39.4	25%	0.246	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-31.7	-170.7	-55.9	178.7	0	0	0	112.1	D366 Y367	D366-I369 HydrophobicContact CB-CB 4.24Å; D366-I369 HydrophobicContact CB-CD1 3.94Å; D366-I369 HydrophobicContact CB-CG1 4.04Å; D366-I369 PolarHBondContact O-N 3.41Å; D366-I369 WeakPolarHBondContact OD2-CD1 3.4Å; D366-I369 WeakPolarHBondContact OD2-CG1 3.49Å; Y367-I369 PolarHBondContact O-N 3.17Å
370	N	37.5	Very low	49	Very low	30 Å²	30	39.3 Å²	39.3	16%	0.16	22%	0.223	C	C	.	.			trans	-135.8	112.4	-172	-153.5	-14.7	0	0	0	114.7	D366 C372 C373	D366-N370 PolarHBondContact O-N 2.75Å; D366-N370 VanDerWaalsContact O-N 3.11Å; N370-C372 PolarHBondContact O-N 2.86Å; N370-C372 WeakPolarHBondContact OD1-CB 3.35Å; N370-C372 PolarHBondContact OD1-N 3.31Å; N370-C372 VanDerWaalsContact OD1-N 3.09Å; N370-C373 WeakPolarHBondContact O-CB 3.08Å; N370-C373 PolarHBondContact O-N 3.04Å
371	P	36.4	Very low	51.4	Low	104 Å²	104	37.4 Å²	37.4	68%	0.675	22%	0.215	S	C	*	.	S	Bend	trans	-70.4	-16	172.1	27.4	-32.1	0	0	0	113.1	C373	P371-C373 PolarHBondContact O-N 3.37Å; P371-C373 VanDerWaalsContact O-N 3.16Å
372	C	40.1	Very low	53.5	Low	33 Å²	33	37.1 Å²	37.1	22%	0.223	22%	0.215	C	C	.	.	S	Bend	trans	-85	36.2	173.5	-54.6	0	0	0	0	111.8	V302 Y307 N370	V302-C372 HydrophobicContact CG1-CB 3.8Å; Y307-C372 PolarHBondContact OH-O 3.33Å; N370-C372 PolarHBondContact O-N 2.86Å; N370-C372 WeakPolarHBondContact OD1-CB 3.35Å; N370-C372 PolarHBondContact OD1-N 3.31Å; N370-C372 VanDerWaalsContact OD1-N 3.09Å
373	C	51.6	Low	55.7	Low	1 Å²	1	41.2 Å²	41.2	1%	0.007	25%	0.245	C	C	.	.	S	Bend	trans	-98.6	148.4	177.1	-165.4	0	0	0	0	109	V364 N370 P371 Y375 S376	V364-C373 PolarHBondContact O-SG 2.88Å; N370-C373 WeakPolarHBondContact O-CB 3.08Å; N370-C373 PolarHBondContact O-N 3.04Å; P371-C373 PolarHBondContact O-N 3.37Å; P371-C373 VanDerWaalsContact O-N 3.16Å; C373-Y375 HydrophobicContact CB-CD2 3.54Å; C373-Y375 HydrophobicContact CB-CE2 4.05Å; C373-Y375 HydrophobicContact CB-CG 4.23Å; C373-Y375 PolarHBondContact O-N 2.84Å; C373-Y375 WeakPolarHBondContact SG-CD2 3.01Å; C373-Y375 WeakPolarHBondContact SG-CE2 3.44Å; C373-S376 PolarHBondContact O-N 3.09Å; C373-S376 PolarHBondContact O-OG 3.11Å
374	P	56.6	Low	58.1	Low	10 Å²	10	45.8 Å²	45.8	7%	0.065	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-19.9	173	12.6	-30.8	0	0	0	115.4	Y307 W365 S376 V412	Y307-P374 HydrophobicContact CE2-CB 4.31Å; W365-P374 HydrophobicContact CZ2-CG 4.3Å; P374-S376 VanDerWaalsContact C-N 3.27Å; P374-S376 PolarHBondContact O-N 3.28Å; P374-V412 HydrophobicContact CB-CB 4.45Å; P374-V412 HydrophobicContact CB-CG1 3.93Å; P374-V412 HydrophobicContact CB-CG2 3.62Å; P374-V412 HydrophobicContact CG-CG1 3.98Å
375	Y	63.3	Low	60.3	Low	2 Å²	2	45 Å²	45	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-58.1	-31.8	171.7	-49.6	-43.6	0	0	0	114.3	W365 Y367 C373 G377 I378 C379 S444 C447 L448	W365-Y375 HydrophobicContact CE3-CE1 4.4Å; W365-Y375 WeakPolarHBondContact O-CE2 3.33Å; W365-Y375 PolarHBondContact O-OH 2.73Å; Y367-Y375 AromaticContact CD2-CD2 3.75Å; Y367-Y375 HydrophobicContact CD2-CD2 3.75Å; Y367-Y375 HydrophobicContact CD2-CG 4.18Å; Y367-Y375 HydrophobicContact CG-CD2 4.19Å; C373-Y375 HydrophobicContact CB-CD2 3.54Å; C373-Y375 HydrophobicContact CB-CE2 4.05Å; C373-Y375 HydrophobicContact CB-CG 4.23Å; C373-Y375 PolarHBondContact O-N 2.84Å; C373-Y375 WeakPolarHBondContact SG-CD2 3.01Å; C373-Y375 WeakPolarHBondContact SG-CE2 3.44Å; Y375-G377 VanDerWaalsContact C-N 3.28Å; Y375-G377 PolarHBondContact O-N 2.95Å; Y375-I378 PolarHBondContact O-N 3.26Å; Y375-I378 VanDerWaalsContact O-N 3.1Å; Y375-C379 WeakPolarHBondContact O-CB 3.2Å; Y375-C379 PolarHBondContact O-N 3.2Å; Y375-C379 PolarHBondContact O-SG 3.46Å; Y375-S444 PolarHBondContact OH-O 3.02Å; Y375-C447 HydrophobicContact CE1-CB 4.16Å; Y375-C447 HydrophobicContact CE2-CB 4.41Å; Y375-C447 WeakPolarHBondContact OH-CB 3.32Å; Y375-L448 HydrophobicContact CD1-CB 4.49Å; Y375-L448 HydrophobicContact CD1-CD1 3.91Å; Y375-L448 HydrophobicContact CE1-CB 3.78Å; Y375-L448 HydrophobicContact CE1-CD1 3.88Å; Y375-L448 HydrophobicContact CE1-CG 4.48Å
376	S	65.2	Low	62.4	Low	44 Å²	44	47.8 Å²	47.8	31%	0.308	28%	0.278	S	S	.	.	H	α-helix	trans	-58.5	-43.3	-176.8	61.7	0	0	0	0	111.3	C373 P374 I378 C379 E380	C373-S376 PolarHBondContact O-N 3.09Å; C373-S376 PolarHBondContact O-OG 3.11Å; P374-S376 VanDerWaalsContact C-N 3.27Å; P374-S376 PolarHBondContact O-N 3.28Å; S376-I378 VanDerWaalsContact C-N 3.33Å; S376-I378 PolarHBondContact O-N 3.14Å; S376-C379 PolarHBondContact O-N 3.37Å; S376-E380 WeakPolarHBondContact O-CB 3.39Å; S376-E380 WeakPolarHBondContact O-CG 3.1Å; S376-E380 PolarHBondContact O-N 3.46Å
377	G	73.9	Confident	64.5	Low	23 Å²	23	48.7 Å²	48.7	24%	0.237	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-38.5	176.4	0	0	0	0	0	113.2	Y375 L381	Y375-G377 VanDerWaalsContact C-N 3.28Å; Y375-G377 PolarHBondContact O-N 2.95Å; G377-L381 PolarHBondContact O-N 3.32Å
378	I	79.7	Confident	66.7	Low	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-71.1	-44.6	177.2	-62.1	170.2	0	0	0	110.4	Y375 S376 E380 L381 F405 I408 V409 L448 S451 F452 T455	Y375-I378 PolarHBondContact O-N 3.26Å; Y375-I378 VanDerWaalsContact O-N 3.1Å; S376-I378 VanDerWaalsContact C-N 3.33Å; S376-I378 PolarHBondContact O-N 3.14Å; I378-E380 PolarHBondContact O-N 2.99Å; I378-L381 HydrophobicContact CG2-CD1 4.33Å; I378-L381 WeakPolarHBondContact O-CB 3.46Å; I378-L381 WeakPolarHBondContact O-CG 3.26Å; I378-L381 PolarHBondContact O-N 2.98Å; I378-L381 VanDerWaalsContact O-N 3.07Å; I378-F405 HydrophobicContact CD1-CD2 4.1Å; I378-F405 HydrophobicContact CD1-CE2 4.05Å; I378-F405 HydrophobicContact CG1-CD2 4.29Å; I378-F405 HydrophobicContact CG2-CD2 3.78Å; I378-F405 HydrophobicContact CG2-CE2 4.24Å; I378-I408 HydrophobicContact CD1-CG2 4.15Å; I378-I408 HydrophobicContact CG1-CB 4.25Å; I378-I408 HydrophobicContact CG1-CD1 4.31Å; I378-I408 HydrophobicContact CG1-CG2 3.74Å; I378-V409 HydrophobicContact CD1-CG2 4.02Å; I378-L448 HydrophobicContact CD1-CD1 3.68Å; I378-S451 WeakPolarHBondContact CD1-OG 3.32Å; I378-S451 WeakPolarHBondContact CG2-OG 3.49Å; I378-F452 HydrophobicContact CG2-CB 4.47Å; I378-T455 PolarHBondContact O-OG1 3.13Å
379	C	75.9	Confident	68.7	Low	2 Å²	2	50.6 Å²	50.6	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-31.5	177.9	-68.8	0	0	0	0	112.5	Y375 S376 L381 I454 R458	Y375-C379 WeakPolarHBondContact O-CB 3.2Å; Y375-C379 PolarHBondContact O-N 3.2Å; Y375-C379 PolarHBondContact O-SG 3.46Å; S376-C379 PolarHBondContact O-N 3.37Å; C379-L381 VanDerWaalsContact C-N 3.32Å; C379-I454 HydrophobicContact CB-CG2 4.39Å; C379-R458 VanDerWaalsContact C-NH1 3.32Å; C379-R458 WeakPolarHBondContact O-CD 3.42Å; C379-R458 PolarHBondContact O-NH1 3.16Å
380	E	80.4	Confident	70.6	Confident	105 Å²	105	51.1 Å²	51.1	49%	0.491	29%	0.285	S	S	.	.	H	α-helix	trans	-75.9	-17	176.3	-77.1	179.3	-171.5	0	0	113.7	S376 I378 A382 S383	S376-E380 WeakPolarHBondContact O-CB 3.39Å; S376-E380 WeakPolarHBondContact O-CG 3.1Å; S376-E380 PolarHBondContact O-N 3.46Å; I378-E380 PolarHBondContact O-N 2.99Å; E380-A382 PolarHBondContact O-N 3.41Å; E380-S383 WeakPolarHBondContact O-CB 3.41Å; E380-S383 PolarHBondContact O-N 2.93Å; E380-S383 PolarHBondContact O-OG 3Å
381	L	86	Confident	72.5	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-55.8	-29	178.4	-69.5	179.4	0	0	0	112.6	G377 I378 C379 S383 K384 E385 L401 M404 F405 I408 T455	G377-L381 PolarHBondContact O-N 3.32Å; I378-L381 HydrophobicContact CG2-CD1 4.33Å; I378-L381 WeakPolarHBondContact O-CB 3.46Å; I378-L381 WeakPolarHBondContact O-CG 3.26Å; I378-L381 PolarHBondContact O-N 2.98Å; I378-L381 VanDerWaalsContact O-N 3.07Å; C379-L381 VanDerWaalsContact C-N 3.32Å; L381-S383 PolarHBondContact O-N 2.96Å; L381-S383 VanDerWaalsContact O-N 3.16Å; L381-K384 HydrophobicContact CD2-CD 4.4Å; L381-K384 WeakPolarHBondContact O-CA 3.37Å; L381-K384 WeakPolarHBondContact O-CB 3.39Å; L381-K384 PolarHBondContact O-N 3.32Å; L381-E385 PolarHBondContact O-N 2.87Å; L381-L401 HydrophobicContact CB-CD2 3.53Å; L381-L401 HydrophobicContact CD1-CD2 4.46Å; L381-L401 HydrophobicContact CG-CD2 4.48Å; L381-L401 WeakPolarHBondContact O-CD2 3.17Å; L381-M404 HydrophobicContact CD1-CB 4.28Å; L381-M404 HydrophobicContact CD2-CB 3.74Å; L381-M404 HydrophobicContact CD2-CE 4.5Å; L381-M404 HydrophobicContact CD2-SD 4.23Å; L381-F405 HydrophobicContact CD1-CB 3.97Å; L381-I408 HydrophobicContact CD1-CD1 4.1Å; L381-I408 HydrophobicContact CD2-CD1 3.83Å; L381-I408 HydrophobicContact CG-CD1 4.07Å; L381-T455 HydrophobicContact CB-CG2 3.71Å
382	A	81.8	Confident	74.2	Confident	17 Å²	17	55.5 Å²	55.5	14%	0.14	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-57.2	-32.5	177.4	0	0	0	0	0	112.2	E380 K384 T455 R458 L459	E380-A382 PolarHBondContact O-N 3.41Å; A382-K384 VanDerWaalsContact C-N 3.3Å; A382-T455 HydrophobicContact CB-CG2 3.92Å; A382-R458 HydrophobicContact CB-CB 3.62Å; A382-L459 HydrophobicContact CB-CD2 4.04Å; A382-L459 HydrophobicContact CB-CG 4.02Å; A382-L459 VanDerWaalsContact O-CD2 3.3Å; A382-L459 WeakPolarHBondContact O-CD2 3.47Å
383	S	82.9	Confident	75.6	Confident	102 Å²	102	61 Å²	61	71%	0.713	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-74.7	-19.2	176.2	70.9	0	0	0	0	113.6	E380 L381	E380-S383 WeakPolarHBondContact O-CB 3.41Å; E380-S383 PolarHBondContact O-N 2.93Å; E380-S383 PolarHBondContact O-OG 3Å; L381-S383 PolarHBondContact O-N 2.96Å; L381-S383 VanDerWaalsContact O-N 3.16Å
384	K	85	Confident	76.3	Confident	117 Å²	117	68.7 Å²	68.7	51%	0.509	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-96.1	7.5	-178.7	-59.4	-178.9	-178	173.1	0	112.8	L381 A382 M404	L381-K384 HydrophobicContact CD2-CD 4.4Å; L381-K384 WeakPolarHBondContact O-CA 3.37Å; L381-K384 WeakPolarHBondContact O-CB 3.39Å; L381-K384 PolarHBondContact O-N 3.32Å; A382-K384 VanDerWaalsContact C-N 3.3Å; K384-M404 HydrophobicContact CB-CE 4.36Å
385	E	84.8	Confident	76.7	Confident	17 Å²	17	76.5 Å²	76.5	8%	0.079	40%	0.401	C	S	.	.			trans	-71.8	129.9	-177.3	178.2	45.7	-141.7	0	0	112	L381 W387 T399 L401 L459	L381-E385 PolarHBondContact O-N 2.87Å; E385-W387 HydrophobicContact CG-CD2 3.87Å; E385-W387 HydrophobicContact CG-CE3 4.39Å; E385-W387 HydrophobicContact CG-CG 4.11Å; E385-W387 HydrophobicContact CG-CZ2 4.16Å; E385-W387 VanDerWaalsContact OE1-CA 3.24Å; E385-W387 WeakPolarHBondContact OE1-CA 3.37Å; E385-W387 PolarHBondContact OE1-N 3.23Å; E385-T399 WeakPolarHBondContact OE1-CB 3.32Å; E385-T399 WeakPolarHBondContact OE1-CG2 3.01Å; E385-T399 PolarHBondContact OE1-OG1 3.17Å; E385-T399 PolarHBondContact OE2-OG1 2.87Å; E385-L401 HydrophobicContact CB-CD1 4.02Å; E385-L401 HydrophobicContact CB-CG 4.46Å; E385-L401 HydrophobicContact CG-CD1 3.93Å; E385-L401 WeakPolarHBondContact OE2-CD1 3.32Å; E385-L401 WeakPolarHBondContact OE2-CG 3.47Å; E385-L459 HydrophobicContact CB-CD2 3.55Å; E385-L459 HydrophobicContact CG-CD1 4.43Å; E385-L459 HydrophobicContact CG-CD2 3.74Å
386	T	82	Confident	77.3	Confident	79 Å²	79	77.3 Å²	77.3	49%	0.485	41%	0.405	S	S	.	.			trans	-97.4	-14.5	-173.5	58	0	0	0	0	113.6	K388	T386-K388 PolarHBondContact O-N 2.94Å
387	W	80.2	Confident	77.8	Confident	80 Å²	80	76.9 Å²	76.9	30%	0.303	40%	0.402	S	S	.	.			trans	59.2	22.7	-180	-54.4	90.9	0	0	0	114.7	E385 L459 K475 V478 V479	E385-W387 HydrophobicContact CG-CD2 3.87Å; E385-W387 HydrophobicContact CG-CE3 4.39Å; E385-W387 HydrophobicContact CG-CG 4.11Å; E385-W387 HydrophobicContact CG-CZ2 4.16Å; E385-W387 VanDerWaalsContact OE1-CA 3.24Å; E385-W387 WeakPolarHBondContact OE1-CA 3.37Å; E385-W387 PolarHBondContact OE1-N 3.23Å; W387-L459 HydrophobicContact CH2-CB 4.24Å; W387-L459 HydrophobicContact CH2-CD2 4.21Å; W387-L459 HydrophobicContact CZ2-CD2 3.88Å; W387-K475 HydrophobicContact CD2-CG 4.32Å; W387-K475 HydrophobicContact CE3-CB 4.05Å; W387-K475 HydrophobicContact CE3-CD 4.15Å; W387-K475 HydrophobicContact CE3-CG 3.61Å; W387-K475 HydrophobicContact CH2-CB 4.11Å; W387-K475 HydrophobicContact CH2-CD 3.91Å; W387-K475 HydrophobicContact CH2-CG 4.06Å; W387-K475 HydrophobicContact CZ2-CD 4.29Å; W387-K475 HydrophobicContact CZ3-CB 3.48Å; W387-K475 VanDerWaalsContact CZ3-CB 3.48Å; W387-K475 HydrophobicContact CZ3-CD 3.86Å; W387-K475 HydrophobicContact CZ3-CG 3.48Å; W387-K475 VanDerWaalsContact CZ3-CG 3.48Å; W387-V478 HydrophobicContact CE3-CB 4.32Å; W387-V478 HydrophobicContact CE3-CG1 4.1Å; W387-V478 HydrophobicContact CZ3-CG1 4.47Å; W387-V479 HydrophobicContact CH2-CG2 4.48Å; W387-V479 HydrophobicContact CZ3-CG2 4.29Å
388	K	81	Confident	78.4	Confident	162 Å²	162	76.4 Å²	76.4	70%	0.704	39%	0.394	S	S	*	.			trans	-108	112	176.8	-68.2	-177.4	-179.1	-179.3	0	109.7	T386 T399	T386-K388 PolarHBondContact O-N 2.94Å; K388-T399 WeakPolarHBondContact O-CG2 3.09Å
389	L	78.1	Confident	78.9	Confident	84 Å²	84	76.4 Å²	76.4	44%	0.44	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-73.5	128.8	172.3	-70.7	169.7	0	0	0	109.9	K398 T399 V478 A481	L389-K398 WeakPolarHBondContact CA-O 3.4Å; L389-T399 HydrophobicContact CD2-CG2 4.08Å; L389-V478 HydrophobicContact CD1-CG2 3.9Å; L389-V478 HydrophobicContact CD2-CG1 4.38Å; L389-V478 HydrophobicContact CD2-CG2 4.11Å; L389-V478 HydrophobicContact CG-CG2 3.84Å; L389-A481 HydrophobicContact CD2-CB 4.21Å
390	S	80.9	Confident	79.6	Confident	60 Å²	60	78.4 Å²	78.4	42%	0.42	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.7	162.9	48.8	0	0	0	0	108.7	S397 K398	S390-S397 WeakPolarHBondContact O-CA 2.92Å; S390-K398 PolarHBondContact N-O 3.23Å; S390-K398 PolarHBondContact O-N 2.86Å; S390-K398 VanDerWaalsContact O-N 3.16Å; S390-K398 PolarHBondContact OG-O 2.89Å
391	E	75.7	Confident	80	Confident	188 Å²	188	73.4 Å²	73.4	88%	0.879	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.7	167.9	-70.2	178.2	176.6	0	0	109.3
392	C	73.4	Confident	80.2	Confident	37 Å²	37	73.3 Å²	73.3	25%	0.25	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	167.2	175.6	-69.6	0	0	0	0	109.2	M396 Y485	C392-M396 WeakPolarHBondContact CB-O 3.28Å; C392-M396 PolarHBondContact N-O 3.49Å; C392-Y485 HydrophobicContact CB-CE2 4.29Å
393	D	69.6	Low	80.7	Confident	150 Å²	150	75.9 Å²	75.9	80%	0.802	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	142.3	171.4	-64.5	-36.2	0	0	0	111.4
394	K	66.6	Low	81.1	Confident	161 Å²	161	73.6 Å²	73.6	70%	0.7	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	45.7	176.8	-47.6	177.6	179.7	-177.8	0	116.3	M396 F489	K394-M396 WeakPolarHBondContact O-CG 3.26Å; K394-M396 PolarHBondContact O-N 3.46Å; K394-M396 VanDerWaalsContact O-N 3.1Å; K394-F489 HydrophobicContact CD-CE1 4.47Å
395	D	63.4	Low	81.3	Confident	175 Å²	175	68 Å²	68	94%	0.936	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	27.4	174.7	-58	-36.3	0	0	0	114.3
396	M	76	Confident	81.6	Confident	18 Å²	18	68.5 Å²	68.5	9%	0.089	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	145.6	-178.1	-73.5	-65.3	-61.6	0	0	110	C392 K394 D484 Y485 F489	C392-M396 WeakPolarHBondContact CB-O 3.28Å; C392-M396 PolarHBondContact N-O 3.49Å; K394-M396 WeakPolarHBondContact O-CG 3.26Å; K394-M396 PolarHBondContact O-N 3.46Å; K394-M396 VanDerWaalsContact O-N 3.1Å; M396-D484 HydrophobicContact CE-CB 4.06Å; M396-D484 WeakPolarHBondContact CE-OD2 3.32Å; M396-Y485 HydrophobicContact CB-CD2 4.48Å; M396-F489 HydrophobicContact CE-CE2 4.43Å; M396-F489 HydrophobicContact CG-CE2 4.01Å; M396-F489 HydrophobicContact CG-CZ 4.4Å
397	S	76.3	Confident	81.9	Confident	36 Å²	36	67.5 Å²	67.5	25%	0.252	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.3	172.7	60.4	0	0	0	0	110	S390 A481	S390-S397 WeakPolarHBondContact O-CA 2.92Å; S397-A481 WeakPolarHBondContact O-CB 3.44Å
398	K	86.3	Confident	82.1	Confident	12 Å²	12	65.3 Å²	65.3	5%	0.052	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	168.1	173.9	64.4	170.2	180	-172.1	0	110.3	L389 S390 P402 D403 N482 Y485	L389-K398 WeakPolarHBondContact CA-O 3.4Å; S390-K398 PolarHBondContact N-O 3.23Å; S390-K398 PolarHBondContact O-N 2.86Å; S390-K398 VanDerWaalsContact O-N 3.16Å; S390-K398 PolarHBondContact OG-O 2.89Å; K398-P402 HydrophobicContact CB-CG 4.13Å; K398-P402 HydrophobicContact CD-CB 4.19Å; K398-P402 HydrophobicContact CD-CG 4.16Å; K398-D403 WeakPolarHBondContact CE-OD2 3.29Å; K398-D403 IonicContact NZ-OD1 2.67Å; K398-D403 PolarHBondContact NZ-OD1 3.33Å; K398-D403 IonicContact NZ-OD2 2.62Å; K398-D403 PolarHBondContact NZ-OD2 3.42Å; K398-N482 WeakPolarHBondContact CA-OD1 3.36Å; K398-Y485 HydrophobicContact CB-CD2 4.18Å; K398-Y485 HydrophobicContact CB-CG 4.09Å; K398-Y485 HydrophobicContact CD-CD1 3.66Å; K398-Y485 HydrophobicContact CD-CD2 3.85Å; K398-Y485 HydrophobicContact CD-CE1 3.57Å; K398-Y485 HydrophobicContact CD-CE2 3.76Å; K398-Y485 HydrophobicContact CD-CG 3.8Å; K398-Y485 HydrophobicContact CG-CD2 4.19Å; K398-Y485 HydrophobicContact CG-CE2 4.32Å; K398-Y485 HydrophobicContact CG-CG 4.36Å; K398-Y485 VanDerWaalsContact NZ-CE1 3.32Å; K398-Y485 PolarHBondContact NZ-OH 2.83Å
399	T	90.3	Very high	82.2	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	31%	0.312	C	S	.	.			trans	-97	-169.4	163.6	75.5	0	0	0	0	109.4	E385 K388 L389 L401 P402 V478 N482	E385-T399 WeakPolarHBondContact OE1-CB 3.32Å; E385-T399 WeakPolarHBondContact OE1-CG2 3.01Å; E385-T399 PolarHBondContact OE1-OG1 3.17Å; E385-T399 PolarHBondContact OE2-OG1 2.87Å; K388-T399 WeakPolarHBondContact O-CG2 3.09Å; L389-T399 HydrophobicContact CD2-CG2 4.08Å; T399-L401 PolarHBondContact O-N 3.03Å; T399-L401 PolarHBondContact OG1-N 2.82Å; T399-P402 WeakPolarHBondContact O-CD 3.23Å; T399-V478 HydrophobicContact CG2-CG1 3.51Å; T399-N482 PolarHBondContact N-OD1 2.88Å; T399-N482 PolarHBondContact OG1-ND2 3.47Å; T399-N482 PolarHBondContact OG1-OD1 3.37Å
400	A	89.7	Confident	82.6	Confident	43 Å²	43	55.2 Å²	55.2	36%	0.355	30%	0.299	S	S	.	.	S	Bend	trans	-72.1	-11.3	176.2	0	0	0	0	0	114	D403 M404	A400-D403 PolarHBondContact O-N 2.65Å; A400-M404 HydrophobicContact CB-CE 4.13Å; A400-M404 WeakPolarHBondContact O-CG 3.14Å; A400-M404 PolarHBondContact O-N 2.97Å
401	L	90.3	Very high	82.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-49	-174.5	-89.9	174.5	0	0	0	115	L381 E385 T399 D403 M404 F405 F452 T455 L459	L381-L401 HydrophobicContact CB-CD2 3.53Å; L381-L401 HydrophobicContact CD1-CD2 4.46Å; L381-L401 HydrophobicContact CG-CD2 4.48Å; L381-L401 WeakPolarHBondContact O-CD2 3.17Å; E385-L401 HydrophobicContact CB-CD1 4.02Å; E385-L401 HydrophobicContact CB-CG 4.46Å; E385-L401 HydrophobicContact CG-CD1 3.93Å; E385-L401 WeakPolarHBondContact OE2-CD1 3.32Å; E385-L401 WeakPolarHBondContact OE2-CG 3.47Å; T399-L401 PolarHBondContact O-N 3.03Å; T399-L401 PolarHBondContact OG1-N 2.82Å; L401-D403 PolarHBondContact O-N 3.37Å; L401-M404 HydrophobicContact CD2-CE 3.91Å; L401-M404 HydrophobicContact CG-CE 4.21Å; L401-M404 PolarHBondContact O-N 3.46Å; L401-F405 WeakPolarHBondContact O-CB 3.16Å; L401-F405 PolarHBondContact O-N 3.14Å; L401-F452 HydrophobicContact CB-CE2 4.4Å; L401-F452 HydrophobicContact CB-CZ 4.41Å; L401-T455 HydrophobicContact CD2-CG2 4.25Å; L401-L459 HydrophobicContact CD1-CD1 3.39Å
402	P	90.5	Very high	82.5	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.1	-38.9	178	-28.9	39.2	0	0	0	112.7	K398 T399 F405 E406 N482 Y485 V486	K398-P402 HydrophobicContact CB-CG 4.13Å; K398-P402 HydrophobicContact CD-CB 4.19Å; K398-P402 HydrophobicContact CD-CG 4.16Å; T399-P402 WeakPolarHBondContact O-CD 3.23Å; P402-F405 PolarHBondContact O-N 3.44Å; P402-E406 WeakPolarHBondContact O-CB 3.49Å; P402-E406 PolarHBondContact O-N 3.35Å; P402-N482 HydrophobicContact CG-CB 4.09Å; P402-Y485 HydrophobicContact CB-CD1 3.76Å; P402-Y485 HydrophobicContact CB-CE1 4.34Å; P402-Y485 HydrophobicContact CG-CD1 4.23Å; P402-V486 HydrophobicContact CB-CG2 3.64Å; P402-V486 HydrophobicContact CG-CG2 3.96Å
403	D	91	Very high	82.4	Confident	71 Å²	71	48.6 Å²	48.6	38%	0.38	26%	0.259	S	S	.	.	H	α-helix	trans	-70.7	-40.9	179.3	-63.1	-40.4	0	0	0	111.8	K398 A400 L401 F405 E406 S407	K398-D403 WeakPolarHBondContact CE-OD2 3.29Å; K398-D403 IonicContact NZ-OD1 2.67Å; K398-D403 PolarHBondContact NZ-OD1 3.33Å; K398-D403 IonicContact NZ-OD2 2.62Å; K398-D403 PolarHBondContact NZ-OD2 3.42Å; A400-D403 PolarHBondContact O-N 2.65Å; L401-D403 PolarHBondContact O-N 3.37Å; D403-F405 VanDerWaalsContact C-N 3.35Å; D403-E406 PolarHBondContact O-N 3.45Å; D403-S407 WeakPolarHBondContact O-CB 3.45Å; D403-S407 PolarHBondContact O-N 3.06Å
404	M	91.4	Very high	82.5	Confident	55 Å²	55	44 Å²	44	27%	0.271	24%	0.237	S	C	.	.	H	α-helix	trans	-64	-40.9	174.5	-69.8	-172.5	-71	0	0	111.8	L381 K384 A400 L401 S407 I408	L381-M404 HydrophobicContact CD1-CB 4.28Å; L381-M404 HydrophobicContact CD2-CB 3.74Å; L381-M404 HydrophobicContact CD2-CE 4.5Å; L381-M404 HydrophobicContact CD2-SD 4.23Å; K384-M404 HydrophobicContact CB-CE 4.36Å; A400-M404 HydrophobicContact CB-CE 4.13Å; A400-M404 WeakPolarHBondContact O-CG 3.14Å; A400-M404 PolarHBondContact O-N 2.97Å; L401-M404 HydrophobicContact CD2-CE 3.91Å; L401-M404 HydrophobicContact CG-CE 4.21Å; L401-M404 PolarHBondContact O-N 3.46Å; M404-S407 PolarHBondContact O-N 2.98Å; M404-I408 WeakPolarHBondContact O-CG1 3.34Å; M404-I408 PolarHBondContact O-N 3.13Å; M404-I408 VanDerWaalsContact O-N 3.08Å
405	F	90.6	Very high	82.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-51	173.5	164.4	-109	0	0	0	111.2	I378 L381 L401 P402 D403 S407 I408 V409 F452 V486 L494	I378-F405 HydrophobicContact CD1-CD2 4.1Å; I378-F405 HydrophobicContact CD1-CE2 4.05Å; I378-F405 HydrophobicContact CG1-CD2 4.29Å; I378-F405 HydrophobicContact CG2-CD2 3.78Å; I378-F405 HydrophobicContact CG2-CE2 4.24Å; L381-F405 HydrophobicContact CD1-CB 3.97Å; L401-F405 WeakPolarHBondContact O-CB 3.16Å; L401-F405 PolarHBondContact O-N 3.14Å; P402-F405 PolarHBondContact O-N 3.44Å; D403-F405 VanDerWaalsContact C-N 3.35Å; F405-S407 VanDerWaalsContact C-N 3.29Å; F405-S407 PolarHBondContact O-N 3.47Å; F405-I408 PolarHBondContact O-N 3.49Å; F405-V409 HydrophobicContact CD2-CG2 3.99Å; F405-V409 HydrophobicContact CE2-CG2 3.56Å; F405-V409 HydrophobicContact CZ-CG2 3.88Å; F405-V409 WeakPolarHBondContact O-CG2 3.46Å; F405-V409 PolarHBondContact O-N 3.03Å; F405-F452 HydrophobicContact CB-CD2 3.66Å; F405-F452 HydrophobicContact CB-CE2 3.8Å; F405-F452 HydrophobicContact CD1-CD2 4.22Å; F405-F452 HydrophobicContact CD1-CG 4.36Å; F405-F452 HydrophobicContact CD2-CB 3.83Å; F405-F452 AromaticContact CD2-CD2 3.75Å; F405-F452 HydrophobicContact CD2-CD2 3.75Å; F405-F452 HydrophobicContact CD2-CG 4.1Å; F405-F452 HydrophobicContact CE1-CB 4.45Å; F405-F452 HydrophobicContact CE2-CB 3.69Å; F405-F452 HydrophobicContact CE2-CD2 4.47Å; F405-F452 HydrophobicContact CE2-CG 4.38Å; F405-F452 HydrophobicContact CG-CB 4.27Å; F405-F452 AromaticContact CG-CD2 3.6Å; F405-F452 HydrophobicContact CG-CD2 3.6Å; F405-F452 HydrophobicContact CG-CE2 4.17Å; F405-F452 HydrophobicContact CG-CG 4.07Å; F405-F452 HydrophobicContact CZ-CB 4.01Å; F405-V486 HydrophobicContact CD1-CG1 4.26Å; F405-V486 HydrophobicContact CD1-CG2 4.29Å; F405-V486 HydrophobicContact CE1-CG1 3.91Å; F405-L494 HydrophobicContact CE1-CD1 3.78Å; F405-L494 HydrophobicContact CZ-CD1 4.17Å
406	E	90	Very high	82.7	Confident	27 Å²	27	30.5 Å²	30.5	13%	0.126	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-38.6	178.9	-176.3	168.7	-179.3	0	0	111.4	P402 D403 N410 C490 L494	P402-E406 WeakPolarHBondContact O-CB 3.49Å; P402-E406 PolarHBondContact O-N 3.35Å; D403-E406 PolarHBondContact O-N 3.45Å; E406-N410 WeakPolarHBondContact CG-ND2 3.42Å; E406-N410 VanDerWaalsContact O-CB 3.26Å; E406-N410 WeakPolarHBondContact O-CB 3.32Å; E406-N410 VanDerWaalsContact O-CG 3.25Å; E406-N410 PolarHBondContact O-N 3.12Å; E406-N410 PolarHBondContact O-ND2 3.31Å; E406-C490 PolarHBondContact OE2-SG 2.97Å; E406-L494 HydrophobicContact CG-CD2 4.06Å; E406-L494 HydrophobicContact CG-CG 4.37Å
407	S	89.3	Confident	82.3	Confident	58 Å²	58	31 Å²	31	41%	0.406	18%	0.176	S	C	.	.	H	α-helix	trans	-60.9	-49.9	175	-165.2	0	0	0	0	112.1	D403 M404 F405 V409 N410 E411	D403-S407 WeakPolarHBondContact O-CB 3.45Å; D403-S407 PolarHBondContact O-N 3.06Å; M404-S407 PolarHBondContact O-N 2.98Å; F405-S407 VanDerWaalsContact C-N 3.29Å; F405-S407 PolarHBondContact O-N 3.47Å; S407-V409 PolarHBondContact O-N 3.33Å; S407-N410 PolarHBondContact O-N 3Å; S407-E411 WeakPolarHBondContact O-CG 3.41Å; S407-E411 PolarHBondContact O-N 3.47Å; S407-E411 PolarHBondContact OG-OE1 3.48Å
408	I	84.6	Confident	81.7	Confident	34 Å²	34	31.4 Å²	31.4	17%	0.174	18%	0.176	C	C	.	.	H	α-helix	trans	-61.6	-45.5	-179.4	-67.3	171.2	0	0	0	110.6	I378 L381 M404 F405 N410 E411 V412	I378-I408 HydrophobicContact CD1-CG2 4.15Å; I378-I408 HydrophobicContact CG1-CB 4.25Å; I378-I408 HydrophobicContact CG1-CD1 4.31Å; I378-I408 HydrophobicContact CG1-CG2 3.74Å; L381-I408 HydrophobicContact CD1-CD1 4.1Å; L381-I408 HydrophobicContact CD2-CD1 3.83Å; L381-I408 HydrophobicContact CG-CD1 4.07Å; M404-I408 WeakPolarHBondContact O-CG1 3.34Å; M404-I408 PolarHBondContact O-N 3.13Å; M404-I408 VanDerWaalsContact O-N 3.08Å; F405-I408 PolarHBondContact O-N 3.49Å; I408-N410 VanDerWaalsContact C-N 3.31Å; I408-N410 PolarHBondContact O-N 3.37Å; I408-E411 PolarHBondContact O-N 2.56Å; I408-V412 HydrophobicContact CG2-CG2 4.36Å; I408-V412 VanDerWaalsContact O-CG2 3.3Å; I408-V412 WeakPolarHBondContact O-CG2 3.11Å; I408-V412 PolarHBondContact O-N 2.75Å
409	V	83.2	Confident	80.6	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-42.3	178.8	176.9	0	0	0	0	110.9	I378 F405 S407 E411 V412 Q413 L448 F449 L494	I378-V409 HydrophobicContact CD1-CG2 4.02Å; F405-V409 HydrophobicContact CD2-CG2 3.99Å; F405-V409 HydrophobicContact CE2-CG2 3.56Å; F405-V409 HydrophobicContact CZ-CG2 3.88Å; F405-V409 WeakPolarHBondContact O-CG2 3.46Å; F405-V409 PolarHBondContact O-N 3.03Å; S407-V409 PolarHBondContact O-N 3.33Å; V409-E411 VanDerWaalsContact C-N 3.28Å; V409-E411 PolarHBondContact O-N 3.02Å; V409-V412 PolarHBondContact O-N 3.25Å; V409-Q413 WeakPolarHBondContact O-CB 3.22Å; V409-Q413 PolarHBondContact O-N 3.39Å; V409-L448 HydrophobicContact CG1-CD2 3.94Å; V409-L448 HydrophobicContact CG2-CD2 4.44Å; V409-L448 HydrophobicContact CG2-CG 4.25Å; V409-F449 HydrophobicContact CG1-CD1 4.28Å; V409-F449 HydrophobicContact CG1-CE1 3.78Å; V409-L494 HydrophobicContact CB-CD1 4.18Å; V409-L494 HydrophobicContact CB-CD2 3.91Å; V409-L494 HydrophobicContact CG1-CD1 3.99Å; V409-L494 HydrophobicContact CG1-CD2 3.58Å; V409-L494 HydrophobicContact CG1-CG 4.28Å; V409-L494 HydrophobicContact CG2-CD1 4.36Å
410	N	85.1	Confident	79.3	Confident	32 Å²	32	33.3 Å²	33.3	17%	0.171	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-29	177.4	-81.3	-51.2	0	0	0	113.6	E406 S407 I408 P414 R497	E406-N410 WeakPolarHBondContact CG-ND2 3.42Å; E406-N410 VanDerWaalsContact O-CB 3.26Å; E406-N410 WeakPolarHBondContact O-CB 3.32Å; E406-N410 VanDerWaalsContact O-CG 3.25Å; E406-N410 PolarHBondContact O-N 3.12Å; E406-N410 PolarHBondContact O-ND2 3.31Å; S407-N410 PolarHBondContact O-N 3Å; I408-N410 VanDerWaalsContact C-N 3.31Å; I408-N410 PolarHBondContact O-N 3.37Å; N410-P414 WeakPolarHBondContact O-CD 3.41Å; N410-R497 VanDerWaalsContact CG-NH1 3.3Å; N410-R497 WeakPolarHBondContact OD1-CD 3.34Å; N410-R497 PolarHBondContact OD1-NE 2.89Å; N410-R497 PolarHBondContact OD1-NH1 3.39Å
411	E	81.1	Confident	78.1	Confident	123 Å²	123	32.4 Å²	32.4	58%	0.575	18%	0.176	S	C	*	.	H	α-helix	trans	-75	-37.9	173.5	-73.8	171.6	-159.4	0	0	112.1	S407 I408 V409 P414 I415	S407-E411 WeakPolarHBondContact O-CG 3.41Å; S407-E411 PolarHBondContact O-N 3.47Å; S407-E411 PolarHBondContact OG-OE1 3.48Å; I408-E411 PolarHBondContact O-N 2.56Å; V409-E411 VanDerWaalsContact C-N 3.28Å; V409-E411 PolarHBondContact O-N 3.02Å; E411-P414 WeakPolarHBondContact O-CD 3.16Å; E411-P414 WeakPolarHBondContact O-CG 3.32Å; E411-I415 WeakPolarHBondContact O-CD1 3.49Å
412	V	73.9	Confident	76.6	Confident	15 Å²	15	35.3 Å²	35.3	9%	0.091	19%	0.19	C	C	.	.	H	α-helix	trans	-74.8	-37.3	-178.3	173.2	0	0	0	0	112	W365 P374 I408 V409 I415 V416 L448	W365-V412 HydrophobicContact CH2-CG1 3.7Å; W365-V412 HydrophobicContact CZ2-CG1 3.96Å; P374-V412 HydrophobicContact CB-CB 4.45Å; P374-V412 HydrophobicContact CB-CG1 3.93Å; P374-V412 HydrophobicContact CB-CG2 3.62Å; P374-V412 HydrophobicContact CG-CG1 3.98Å; I408-V412 HydrophobicContact CG2-CG2 4.36Å; I408-V412 VanDerWaalsContact O-CG2 3.3Å; I408-V412 WeakPolarHBondContact O-CG2 3.11Å; I408-V412 PolarHBondContact O-N 2.75Å; V409-V412 PolarHBondContact O-N 3.25Å; V412-I415 VanDerWaalsContact O-CB 3.31Å; V412-I415 WeakPolarHBondContact O-CB 2.97Å; V412-I415 PolarHBondContact O-N 3.13Å; V412-I415 VanDerWaalsContact O-N 3.14Å; V412-V416 HydrophobicContact CG1-CG2 4.18Å; V412-V416 WeakPolarHBondContact O-CG2 3.18Å; V412-V416 PolarHBondContact O-N 3.39Å; V412-V416 VanDerWaalsContact O-N 3.08Å; V412-L448 HydrophobicContact CG1-CD2 4.29Å
413	Q	72.2	Confident	75	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-57.5	-47.1	-174.6	-167.4	-178.5	-32.6	0	0	115.7	V409 I415 V416 N417 R497 A498 C501	V409-Q413 WeakPolarHBondContact O-CB 3.22Å; V409-Q413 PolarHBondContact O-N 3.39Å; Q413-I415 VanDerWaalsContact C-N 3.26Å; Q413-I415 PolarHBondContact O-N 3.36Å; Q413-V416 WeakPolarHBondContact O-CB 3.09Å; Q413-V416 PolarHBondContact O-N 2.98Å; Q413-N417 PolarHBondContact O-N 3.42Å; Q413-N417 VanDerWaalsContact O-N 3.16Å; Q413-R497 PolarHBondContact NE2-O 2.98Å; Q413-R497 VanDerWaalsContact NE2-O 3.11Å; Q413-A498 VanDerWaalsContact NE2-N 3.11Å; Q413-C501 PolarHBondContact NE2-SG 3.15Å
414	P	70.8	Confident	73.4	Confident	55 Å²	55	42.3 Å²	42.3	36%	0.357	23%	0.227	S	C	.	.	H	α-helix	trans	-65.3	-31.3	176.5	24.6	-33.5	0	0	0	112.5	N410 E411 V416 N417 T418	N410-P414 WeakPolarHBondContact O-CD 3.41Å; E411-P414 WeakPolarHBondContact O-CD 3.16Å; E411-P414 WeakPolarHBondContact O-CG 3.32Å; P414-V416 VanDerWaalsContact C-N 3.33Å; P414-N417 PolarHBondContact O-N 3.14Å; P414-T418 PolarHBondContact O-N 3.46Å; P414-T418 PolarHBondContact O-OG1 3.06Å
415	I	67.6	Low	71.6	Confident	39 Å²	39	41.6 Å²	41.6	20%	0.2	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-44.8	175.5	-62.1	173.1	0	0	0	109.5	T311 E411 V412 Q413 N417 T418 F419	T311-I415 WeakPolarHBondContact OG1-CG2 3.09Å; E411-I415 WeakPolarHBondContact O-CD1 3.49Å; V412-I415 VanDerWaalsContact O-CB 3.31Å; V412-I415 WeakPolarHBondContact O-CB 2.97Å; V412-I415 PolarHBondContact O-N 3.13Å; V412-I415 VanDerWaalsContact O-N 3.14Å; Q413-I415 VanDerWaalsContact C-N 3.26Å; Q413-I415 PolarHBondContact O-N 3.36Å; I415-N417 PolarHBondContact O-N 3.01Å; I415-T418 WeakPolarHBondContact O-CB 3.07Å; I415-T418 PolarHBondContact O-N 3.35Å; I415-T418 VanDerWaalsContact O-N 3.15Å; I415-F419 HydrophobicContact CG2-CD2 3.7Å; I415-F419 HydrophobicContact CG2-CE2 3.47Å; I415-F419 VanDerWaalsContact CG2-CE2 3.47Å; I415-F419 WeakPolarHBondContact O-CD2 3.27Å; I415-F419 PolarHBondContact O-N 3.33Å
416	V	65.7	Low	69.8	Low	12 Å²	12	45.3 Å²	45.3	7%	0.073	25%	0.246	C	C	.	.	H	α-helix	trans	-57.7	-49.4	175.6	174.4	0	0	0	0	112.2	W365 V412 Q413 P414 T418 F419 L420	W365-V416 HydrophobicContact CH2-CG2 3.32Å; W365-V416 HydrophobicContact CZ2-CB 4.4Å; W365-V416 HydrophobicContact CZ2-CG2 3.02Å; V412-V416 HydrophobicContact CG1-CG2 4.18Å; V412-V416 WeakPolarHBondContact O-CG2 3.18Å; V412-V416 PolarHBondContact O-N 3.39Å; V412-V416 VanDerWaalsContact O-N 3.08Å; Q413-V416 WeakPolarHBondContact O-CB 3.09Å; Q413-V416 PolarHBondContact O-N 2.98Å; P414-V416 VanDerWaalsContact C-N 3.33Å; V416-T418 PolarHBondContact O-N 3.27Å; V416-F419 PolarHBondContact O-N 2.8Å; V416-L420 HydrophobicContact CG1-CD1 3.45Å; V416-L420 VanDerWaalsContact CG1-CD1 3.45Å; V416-L420 HydrophobicContact CG1-CG 4.17Å; V416-L420 WeakPolarHBondContact O-CB 3.49Å; V416-L420 WeakPolarHBondContact O-CG 3.45Å; V416-L420 PolarHBondContact O-N 3.34Å
417	N	67.9	Low	68.1	Low	30 Å²	30	53.1 Å²	53.1	16%	0.16	28%	0.283	C	S	.	.	H	α-helix	trans	-58	-40.2	177.5	-85.3	20.6	0	0	0	111.7	Q413 P414 I415 F419 L420 S421 C501	Q413-N417 PolarHBondContact O-N 3.42Å; Q413-N417 VanDerWaalsContact O-N 3.16Å; P414-N417 PolarHBondContact O-N 3.14Å; I415-N417 PolarHBondContact O-N 3.01Å; N417-F419 VanDerWaalsContact C-N 3.28Å; N417-F419 PolarHBondContact O-N 2.72Å; N417-L420 PolarHBondContact O-N 3.31Å; N417-S421 WeakPolarHBondContact O-CB 3.49Å; N417-S421 PolarHBondContact O-N 2.67Å; N417-S421 PolarHBondContact O-OG 3.05Å; N417-C501 WeakPolarHBondContact ND2-CA 3.4Å; N417-C501 WeakPolarHBondContact ND2-CB 3.14Å; N417-C501 PolarHBondContact ND2-O 3.33Å; N417-C501 PolarHBondContact ND2-SG 3.38Å; N417-C501 VanDerWaalsContact ND2-SG 3.4Å
418	T	65.3	Low	66.4	Low	43 Å²	43	53.1 Å²	53.1	26%	0.264	28%	0.276	S	S	.	.	H	α-helix	trans	-67	-31.2	178.6	-48.1	0	0	0	0	111.7	T311 P414 I415 V416 N423	T311-T418 HydrophobicContact CG2-CG2 3.33Å; P414-T418 PolarHBondContact O-N 3.46Å; P414-T418 PolarHBondContact O-OG1 3.06Å; I415-T418 WeakPolarHBondContact O-CB 3.07Å; I415-T418 PolarHBondContact O-N 3.35Å; I415-T418 VanDerWaalsContact O-N 3.15Å; V416-T418 PolarHBondContact O-N 3.27Å; T418-N423 WeakPolarHBondContact CG2-ND2 3.39Å; T418-N423 PolarHBondContact O-ND2 3.04Å
419	F	61.6	Low	65.1	Low	49 Å²	49	58.5 Å²	58.5	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-81.5	-32.4	176.2	-80.4	-65.6	0	0	0	114.4	V310 T311 Y314 V361 I415 V416 N417	V310-F419 HydrophobicContact CB-CZ 4.35Å; V310-F419 HydrophobicContact CG1-CE1 4.48Å; V310-F419 HydrophobicContact CG1-CZ 3.94Å; T311-F419 HydrophobicContact CG2-CE2 4.47Å; T311-F419 HydrophobicContact CG2-CZ 4.47Å; T311-F419 WeakPolarHBondContact OG1-CE2 3.49Å; T311-F419 VanDerWaalsContact OG1-CZ 3.3Å; T311-F419 WeakPolarHBondContact OG1-CZ 3.16Å; Y314-F419 HydrophobicContact CD1-CD1 4.45Å; Y314-F419 HydrophobicContact CD1-CE1 4.29Å; V361-F419 HydrophobicContact CG1-CB 4.14Å; I415-F419 HydrophobicContact CG2-CD2 3.7Å; I415-F419 HydrophobicContact CG2-CE2 3.47Å; I415-F419 VanDerWaalsContact CG2-CE2 3.47Å; I415-F419 WeakPolarHBondContact O-CD2 3.27Å; I415-F419 PolarHBondContact O-N 3.33Å; V416-F419 PolarHBondContact O-N 2.8Å; N417-F419 VanDerWaalsContact C-N 3.28Å; N417-F419 PolarHBondContact O-N 2.72Å
420	L	63.6	Low	64.2	Low	4 Å²	4	59.5 Å²	59.5	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-91.8	-25.9	-175.1	-67.4	176.5	0	0	0	113.3	V361 V416 N417 L431 L432 V441	V361-L420 HydrophobicContact CB-CD2 3.57Å; V361-L420 HydrophobicContact CG1-CD2 3.29Å; V361-L420 HydrophobicContact CG1-CG 4Å; V361-L420 HydrophobicContact CG2-CD2 4.18Å; V416-L420 HydrophobicContact CG1-CD1 3.45Å; V416-L420 VanDerWaalsContact CG1-CD1 3.45Å; V416-L420 HydrophobicContact CG1-CG 4.17Å; V416-L420 WeakPolarHBondContact O-CB 3.49Å; V416-L420 WeakPolarHBondContact O-CG 3.45Å; V416-L420 PolarHBondContact O-N 3.34Å; N417-L420 PolarHBondContact O-N 3.31Å; L420-L431 HydrophobicContact CB-CB 4.41Å; L420-L431 HydrophobicContact CD2-CB 4.08Å; L420-L431 HydrophobicContact CD2-CD1 3.82Å; L420-L431 PolarHBondContact O-N 2.89Å; L420-L432 HydrophobicContact CB-CD1 4.25Å; L420-L432 HydrophobicContact CB-CD2 3.77Å; L420-L432 HydrophobicContact CB-CG 3.71Å; L420-L432 HydrophobicContact CD1-CD2 3.55Å; L420-L432 HydrophobicContact CD1-CG 4.43Å; L420-L432 HydrophobicContact CG-CD2 4.3Å; L420-V441 HydrophobicContact CD1-CG1 4.16Å; L420-V441 HydrophobicContact CD1-CG2 4.03Å
421	S	64.9	Low	63.1	Low	24 Å²	24	59.1 Å²	59.1	17%	0.168	30%	0.301	C	S	.	.	S	Bend	trans	-84.3	157.9	176.9	70.2	0	0	0	0	112.3	N417 N423	N417-S421 WeakPolarHBondContact O-CB 3.49Å; N417-S421 PolarHBondContact O-N 2.67Å; N417-S421 PolarHBondContact O-OG 3.05Å; S421-N423 VanDerWaalsContact C-N 3.26Å; S421-N423 PolarHBondContact O-N 3.03Å; S421-N423 PolarHBondContact OG-OD1 3.02Å; S421-N423 VanDerWaalsContact OG-OD1 3.06Å
422	H	59.1	Low	62.2	Low	62 Å²	62	55 Å²	55	29%	0.287	28%	0.283	S	S	.	.			trans	-74.6	-10.1	-176.8	67.6	93.7	0	0	0	114	N424 F425 E428 D430	H422-N424 PolarHBondContact ND1-N 3.49Å; H422-N424 PolarHBondContact O-N 2.73Å; H422-F425 WeakPolarHBondContact O-CB 3.47Å; H422-F425 PolarHBondContact O-N 3.21Å; H422-E428 HydrophobicContact CB-CB 4.36Å; H422-D430 HydrophobicContact CB-CB 4.45Å; H422-D430 IonicContact CD2-OD2 3.78Å
423	N	57.4	Low	61.9	Low	70 Å²	70	61.2 Å²	61.2	37%	0.374	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	38.1	45.6	-179.2	-67.2	-35.4	0	0	0	114.7	T418 S421 F425	T418-N423 WeakPolarHBondContact CG2-ND2 3.39Å; T418-N423 PolarHBondContact O-ND2 3.04Å; S421-N423 VanDerWaalsContact C-N 3.26Å; S421-N423 PolarHBondContact O-N 3.03Å; S421-N423 PolarHBondContact OG-OD1 3.02Å; S421-N423 VanDerWaalsContact OG-OD1 3.06Å; N423-F425 PolarHBondContact O-N 3.27Å; N423-F425 VanDerWaalsContact O-N 3.16Å
424	N	55.9	Low	61.5	Low	147 Å²	147	63.3 Å²	63.3	79%	0.786	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	17.9	-178.2	-58.6	-32.5	0	0	0	115.9	H422 P426	H422-N424 PolarHBondContact ND1-N 3.49Å; H422-N424 PolarHBondContact O-N 2.73Å; N424-P426 WeakPolarHBondContact O-CD 3.25Å
425	F	53.9	Low	61.3	Low	40 Å²	40	67.4 Å²	67.4	18%	0.175	34%	0.337	C	S	.	.			trans	-83.3	117.5	175.1	-155	-89.2	0	0	0	110.3	K318 C322 H422 N423 H427 E428	K318-F425 HydrophobicContact CB-CD2 4.01Å; K318-F425 HydrophobicContact CB-CE2 3.84Å; K318-F425 HydrophobicContact CD-CD2 4.09Å; K318-F425 HydrophobicContact CG-CD2 4.13Å; K318-F425 HydrophobicContact CG-CE2 4.07Å; C322-F425 HydrophobicContact CB-CE2 4.48Å; C322-F425 VanDerWaalsContact SG-CD2 3.53Å; C322-F425 WeakPolarHBondContact SG-CE2 3.44Å; H422-F425 WeakPolarHBondContact O-CB 3.47Å; H422-F425 PolarHBondContact O-N 3.21Å; N423-F425 PolarHBondContact O-N 3.27Å; N423-F425 VanDerWaalsContact O-N 3.16Å; F425-H427 PolarHBondContact O-N 2.87Å; F425-E428 HydrophobicContact CB-CB 4.31Å; F425-E428 PolarHBondContact O-N 3.34Å
426	P	52.3	Low	61.2	Low	78 Å²	78	69.6 Å²	69.6	51%	0.506	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	138	176	24.3	-30.3	0	0	0	109.8	N424	N424-P426 WeakPolarHBondContact O-CD 3.25Å
427	H	54.1	Low	61	Low	192 Å²	192	70.9 Å²	70.9	89%	0.889	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-9	-176.4	-47.3	-72.3	0	0	0	117.8	F425	F425-H427 PolarHBondContact O-N 2.87Å
428	E	53.8	Low	60.9	Low	57 Å²	57	72.8 Å²	72.8	27%	0.266	37%	0.369	S	S	.	.			trans	-84.8	139.2	170.3	-161.5	170.4	-156.1	0	0	109.9	Y314 K318 H422 F425	Y314-E428 PolarHBondContact OH-OE1 2.99Å; K318-E428 WeakPolarHBondContact CE-OE2 3.47Å; K318-E428 IonicContact NZ-OE1 3.75Å; K318-E428 PolarHBondContact NZ-OE1 3.32Å; K318-E428 IonicContact NZ-OE2 2.97Å; K318-E428 PolarHBondContact NZ-OE2 2.97Å; H422-E428 HydrophobicContact CB-CB 4.36Å; F425-E428 HydrophobicContact CB-CB 4.31Å; F425-E428 PolarHBondContact O-N 3.34Å
429	K	58.7	Low	60.8	Low	148 Å²	148	74.2 Å²	74.2	64%	0.643	38%	0.379	S	S	*	.			trans	-93.7	135	176.4	-59.6	-175.4	-178.6	178.4	0	109	L431 L434	K429-L431 PolarHBondContact O-N 3.45Å; K429-L431 VanDerWaalsContact O-N 3.13Å; K429-L434 HydrophobicContact CB-CD1 3.56Å; K429-L434 HydrophobicContact CD-CD1 3.95Å; K429-L434 HydrophobicContact CG-CD1 4.39Å
430	D	63.6	Low	60.9	Low	22 Å²	22	73.7 Å²	73.7	12%	0.118	38%	0.382	C	S	.	.			trans	-68.2	107.9	169.8	-165.8	-23.3	0	0	0	109.5	H422 L432 Q433 L434	H422-D430 HydrophobicContact CB-CB 4.45Å; H422-D430 IonicContact CD2-OD2 3.78Å; D430-L432 PolarHBondContact O-N 3.41Å; D430-L432 VanDerWaalsContact OD1-CB 3.27Å; D430-L432 WeakPolarHBondContact OD1-CB 2.87Å; D430-L432 PolarHBondContact OD1-N 3.44Å; D430-Q433 HydrophobicContact CB-CB 4.03Å; D430-Q433 HydrophobicContact CB-CG 3.9Å; D430-Q433 PolarHBondContact O-N 2.93Å; D430-Q433 WeakPolarHBondContact OD2-CG 3.38Å; D430-Q433 PolarHBondContact OD2-NE2 3.36Å; D430-L434 WeakPolarHBondContact O-CG 3.25Å; D430-L434 PolarHBondContact O-N 2.79Å
431	L	62.4	Low	61.1	Low	23 Å²	23	73.8 Å²	73.8	12%	0.12	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.5	-179.8	-62.6	177.6	0	0	0	111.6	V361 L420 K429 Q433 L434 Y437	V361-L431 HydrophobicContact CB-CD1 4.2Å; V361-L431 HydrophobicContact CG2-CD1 3.72Å; L420-L431 HydrophobicContact CB-CB 4.41Å; L420-L431 HydrophobicContact CD2-CB 4.08Å; L420-L431 HydrophobicContact CD2-CD1 3.82Å; L420-L431 PolarHBondContact O-N 2.89Å; K429-L431 PolarHBondContact O-N 3.45Å; K429-L431 VanDerWaalsContact O-N 3.13Å; L431-Q433 VanDerWaalsContact C-N 3.34Å; L431-L434 HydrophobicContact CD2-CD1 4.03Å; L431-Y437 HydrophobicContact CD2-CD1 4.22Å; L431-Y437 HydrophobicContact CD2-CD2 3.72Å; L431-Y437 HydrophobicContact CD2-CE1 4.21Å; L431-Y437 HydrophobicContact CD2-CE2 3.71Å; L431-Y437 HydrophobicContact CD2-CG 3.97Å
432	L	62.5	Low	61.3	Low	37 Å²	37	73.9 Å²	73.9	19%	0.194	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-29.6	175.5	-59.9	177.5	0	0	0	112	L420 D430 V441 V503	L420-L432 HydrophobicContact CB-CD1 4.25Å; L420-L432 HydrophobicContact CB-CD2 3.77Å; L420-L432 HydrophobicContact CB-CG 3.71Å; L420-L432 HydrophobicContact CD1-CD2 3.55Å; L420-L432 HydrophobicContact CD1-CG 4.43Å; L420-L432 HydrophobicContact CG-CD2 4.3Å; D430-L432 PolarHBondContact O-N 3.41Å; D430-L432 VanDerWaalsContact OD1-CB 3.27Å; D430-L432 WeakPolarHBondContact OD1-CB 2.87Å; D430-L432 PolarHBondContact OD1-N 3.44Å; L432-V441 HydrophobicContact CD2-CG1 4.25Å; L432-V503 HydrophobicContact CD2-CG2 4.1Å
433	Q	66.2	Low	61.7	Low	145 Å²	145	75.5 Å²	75.5	68%	0.678	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-14.1	178	-63.4	179.2	23.4	0	0	113	D430 L431 E435	D430-Q433 HydrophobicContact CB-CB 4.03Å; D430-Q433 HydrophobicContact CB-CG 3.9Å; D430-Q433 PolarHBondContact O-N 2.93Å; D430-Q433 WeakPolarHBondContact OD2-CG 3.38Å; D430-Q433 PolarHBondContact OD2-NE2 3.36Å; L431-Q433 VanDerWaalsContact C-N 3.34Å; Q433-E435 PolarHBondContact O-N 3.18Å
434	L	65.4	Low	62.2	Low	53 Å²	53	72.6 Å²	72.6	28%	0.277	38%	0.376	S	S	.	.			trans	-88.3	110.2	-178	-74.4	166.2	0	0	0	111.2	K429 D430 L431 A436 Y437 R438	K429-L434 HydrophobicContact CB-CD1 3.56Å; K429-L434 HydrophobicContact CD-CD1 3.95Å; K429-L434 HydrophobicContact CG-CD1 4.39Å; D430-L434 WeakPolarHBondContact O-CG 3.25Å; D430-L434 PolarHBondContact O-N 2.79Å; L431-L434 HydrophobicContact CD2-CD1 4.03Å; L434-A436 PolarHBondContact O-N 3.04Å; L434-Y437 HydrophobicContact CB-CD2 3.63Å; L434-Y437 HydrophobicContact CB-CE2 4.22Å; L434-Y437 HydrophobicContact CD1-CD2 3.93Å; L434-Y437 HydrophobicContact CD1-CE2 3.79Å; L434-Y437 HydrophobicContact CG-CD2 4.44Å; L434-Y437 PolarHBondContact O-N 2.95Å; L434-R438 PolarHBondContact O-N 2.74Å
435	E	66	Low	62.9	Low	141 Å²	141	66 Å²	66	66%	0.659	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-32.3	177.3	-71.2	-65.4	164	0	0	113.7	Q433 Y437 R438	Q433-E435 PolarHBondContact O-N 3.18Å; E435-Y437 VanDerWaalsContact C-N 3.28Å; E435-Y437 PolarHBondContact O-N 3.06Å; E435-R438 WeakPolarHBondContact O-CB 3.3Å; E435-R438 PolarHBondContact O-N 3.33Å; E435-R438 WeakPolarHBondContact OE2-CD 3.28Å
436	A	65.2	Low	63.7	Low	84 Å²	84	64.7 Å²	64.7	69%	0.694	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.1	179.3	0	0	0	0	0	114.3	L434	L434-A436 PolarHBondContact O-N 3.04Å
437	Y	60.9	Low	64.6	Low	39 Å²	39	63.1 Å²	63.1	15%	0.153	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-13.9	-177.5	-62.4	-84.5	0	0	0	113.1	D357 G358 K359 L362 L431 L434 E435 P439 S440 V441	D357-Y437 PolarHBondContact O-OH 3.46Å; G358-Y437 WeakPolarHBondContact O-CE1 3.41Å; K359-Y437 HydrophobicContact CG-CE1 4.42Å; L362-Y437 HydrophobicContact CD1-CD1 4.44Å; L431-Y437 HydrophobicContact CD2-CD1 4.22Å; L431-Y437 HydrophobicContact CD2-CD2 3.72Å; L431-Y437 HydrophobicContact CD2-CE1 4.21Å; L431-Y437 HydrophobicContact CD2-CE2 3.71Å; L431-Y437 HydrophobicContact CD2-CG 3.97Å; L434-Y437 HydrophobicContact CB-CD2 3.63Å; L434-Y437 HydrophobicContact CB-CE2 4.22Å; L434-Y437 HydrophobicContact CD1-CD2 3.93Å; L434-Y437 HydrophobicContact CD1-CE2 3.79Å; L434-Y437 HydrophobicContact CG-CD2 4.44Å; L434-Y437 PolarHBondContact O-N 2.95Å; E435-Y437 VanDerWaalsContact C-N 3.28Å; E435-Y437 PolarHBondContact O-N 3.06Å; Y437-P439 VanDerWaalsContact C-CD 3.48Å; Y437-S440 PolarHBondContact O-N 2.93Å; Y437-V441 WeakPolarHBondContact O-CG2 3.35Å; Y437-V441 PolarHBondContact O-N 3.05Å
438	R	66.8	Low	65.6	Low	70 Å²	70	54.1 Å²	54.1	26%	0.264	28%	0.284	S	S	.	.	H	α-helix	trans	-48.1	-48.9	178.8	-180	-170.2	178.5	90.4	4.4	112.8	L434 E435 S440 V441 L442 W504	L434-R438 PolarHBondContact O-N 2.74Å; E435-R438 WeakPolarHBondContact O-CB 3.3Å; E435-R438 PolarHBondContact O-N 3.33Å; E435-R438 WeakPolarHBondContact OE2-CD 3.28Å; R438-S440 VanDerWaalsContact C-N 3.31Å; R438-S440 PolarHBondContact O-N 2.87Å; R438-V441 PolarHBondContact O-N 3.38Å; R438-L442 HydrophobicContact CG-CD1 4.09Å; R438-L442 HydrophobicContact CG-CG 4.42Å; R438-L442 VanDerWaalsContact O-CG 3.28Å; R438-L442 WeakPolarHBondContact O-CG 3.39Å; R438-L442 PolarHBondContact O-N 3.11Å; R438-W504 PolarHBondContact NH2-O 3.12Å
439	P	63.1	Low	66.7	Low	74 Å²	74	51.4 Å²	51.4	48%	0.481	27%	0.271	S	S	.	.	H	α-helix	trans	-60	-41.1	-179.7	-23.1	34.2	0	0	0	112.9	Y437 L442 I443	Y437-P439 VanDerWaalsContact C-CD 3.48Å; P439-L442 PolarHBondContact O-N 3.1Å; P439-I443 WeakPolarHBondContact O-CD1 3.39Å; P439-I443 VanDerWaalsContact O-CG1 3.25Å; P439-I443 WeakPolarHBondContact O-CG1 3.33Å; P439-I443 PolarHBondContact O-N 3.39Å
440	S	63.8	Low	67.5	Low	37 Å²	37	45.5 Å²	45.5	26%	0.259	25%	0.248	S	C	.	.	H	α-helix	trans	-68.4	-40.2	179.8	-66.2	0	0	0	0	111.8	Y437 R438 L442 I443 S444	Y437-S440 PolarHBondContact O-N 2.93Å; R438-S440 VanDerWaalsContact C-N 3.31Å; R438-S440 PolarHBondContact O-N 2.87Å; S440-L442 VanDerWaalsContact C-N 3.32Å; S440-L442 PolarHBondContact O-N 3.25Å; S440-I443 PolarHBondContact O-N 3.27Å; S440-S444 PolarHBondContact O-N 3Å; S440-S444 VanDerWaalsContact O-N 3.07Å; S440-S444 PolarHBondContact O-OG 3.22Å; S440-S444 VanDerWaalsContact O-OG 3.05Å
441	V	66.8	Low	68.1	Low	6 Å²	6	44.5 Å²	44.5	4%	0.036	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-42.2	174.7	178.5	0	0	0	0	111	L362 L420 L432 Y437 R438 S444 L445 V503	L362-V441 HydrophobicContact CD1-CG2 3.88Å; L362-V441 VanDerWaalsContact CD2-CA 3.45Å; L362-V441 HydrophobicContact CD2-CB 4.17Å; L362-V441 HydrophobicContact CD2-CG2 3.8Å; L362-V441 HydrophobicContact CG-CG2 4.41Å; L420-V441 HydrophobicContact CD1-CG1 4.16Å; L420-V441 HydrophobicContact CD1-CG2 4.03Å; L432-V441 HydrophobicContact CD2-CG1 4.25Å; Y437-V441 WeakPolarHBondContact O-CG2 3.35Å; Y437-V441 PolarHBondContact O-N 3.05Å; R438-V441 PolarHBondContact O-N 3.38Å; V441-S444 WeakPolarHBondContact O-CB 3.19Å; V441-S444 PolarHBondContact O-N 3.41Å; V441-L445 HydrophobicContact CG1-CD1 4.41Å; V441-L445 PolarHBondContact O-N 3.33Å; V441-V503 HydrophobicContact CG1-CG1 4.15Å
442	L	68.9	Low	69	Low	27 Å²	27	43.4 Å²	43.4	14%	0.141	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-44.8	178.6	-68	179.3	0	0	0	111.8	R438 P439 S440 S444 L445 E446 V503 L505 P508	R438-L442 HydrophobicContact CG-CD1 4.09Å; R438-L442 HydrophobicContact CG-CG 4.42Å; R438-L442 VanDerWaalsContact O-CG 3.28Å; R438-L442 WeakPolarHBondContact O-CG 3.39Å; R438-L442 PolarHBondContact O-N 3.11Å; P439-L442 PolarHBondContact O-N 3.1Å; S440-L442 VanDerWaalsContact C-N 3.32Å; S440-L442 PolarHBondContact O-N 3.25Å; L442-S444 VanDerWaalsContact C-N 3.29Å; L442-S444 PolarHBondContact O-N 3.43Å; L442-L445 PolarHBondContact O-N 3.3Å; L442-E446 VanDerWaalsContact O-CB 3.28Å; L442-E446 WeakPolarHBondContact O-CB 3.42Å; L442-E446 PolarHBondContact O-N 3.04Å; L442-V503 HydrophobicContact CD2-CG1 4.13Å; L442-L505 HydrophobicContact CD2-CD2 3.72Å; L442-L505 HydrophobicContact CD2-CG 3.81Å; L442-P508 HydrophobicContact CB-CG 4.38Å; L442-P508 HydrophobicContact CD1-CG 3.99Å; L442-P508 HydrophobicContact CD2-CG 4.04Å; L442-P508 HydrophobicContact CG-CG 4.34Å
443	I	67	Low	69.6	Low	95 Å²	95	44 Å²	44	49%	0.487	24%	0.238	S	C	.	.	H	α-helix	trans	-57.9	-44.2	175.3	-69.4	162.6	0	0	0	110.6	P439 S440 E446 C447	P439-I443 WeakPolarHBondContact O-CD1 3.39Å; P439-I443 VanDerWaalsContact O-CG1 3.25Å; P439-I443 WeakPolarHBondContact O-CG1 3.33Å; P439-I443 PolarHBondContact O-N 3.39Å; S440-I443 PolarHBondContact O-N 3.27Å; I443-E446 WeakPolarHBondContact O-CB 3.18Å; I443-E446 PolarHBondContact O-N 2.91Å; I443-C447 PolarHBondContact O-N 3.09Å; I443-C447 PolarHBondContact O-SG 2.63Å
444	S	68.3	Low	70	Confident	9 Å²	9	38.9 Å²	38.9	6%	0.063	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-48.5	177.9	-62.7	0	0	0	0	112.3	L362 W365 Y375 S440 V441 L442 E446 C447 L448	L362-S444 WeakPolarHBondContact CD2-OG 3.24Å; W365-S444 VanDerWaalsContact CB-CB 3.49Å; W365-S444 VanDerWaalsContact CB-OG 3.23Å; W365-S444 WeakPolarHBondContact CB-OG 3.48Å; W365-S444 VanDerWaalsContact CE3-O 3.26Å; Y375-S444 PolarHBondContact OH-O 3.02Å; S440-S444 PolarHBondContact O-N 3Å; S440-S444 VanDerWaalsContact O-N 3.07Å; S440-S444 PolarHBondContact O-OG 3.22Å; S440-S444 VanDerWaalsContact O-OG 3.05Å; V441-S444 WeakPolarHBondContact O-CB 3.19Å; V441-S444 PolarHBondContact O-N 3.41Å; L442-S444 VanDerWaalsContact C-N 3.29Å; L442-S444 PolarHBondContact O-N 3.43Å; S444-E446 VanDerWaalsContact C-N 3.32Å; S444-E446 PolarHBondContact O-N 2.79Å; S444-C447 WeakPolarHBondContact O-CB 3.38Å; S444-C447 PolarHBondContact O-N 3.46Å; S444-L448 PolarHBondContact O-N 3.11Å
445	L	71.4	Confident	70.8	Confident	8 Å²	8	36.4 Å²	36.4	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-38.7	176.6	-72.5	179.5	0	0	0	112.4	W365 V441 L442 L448 F449 V503 L505	W365-L445 HydrophobicContact CZ3-CD2 4.3Å; V441-L445 HydrophobicContact CG1-CD1 4.41Å; V441-L445 PolarHBondContact O-N 3.33Å; L442-L445 PolarHBondContact O-N 3.3Å; L445-L448 WeakPolarHBondContact O-CB 3.5Å; L445-L448 PolarHBondContact O-N 3.29Å; L445-L448 VanDerWaalsContact O-N 3.16Å; L445-F449 HydrophobicContact CB-CE2 4.03Å; L445-F449 WeakPolarHBondContact O-CD2 3.46Å; L445-F449 WeakPolarHBondContact O-CG 3.03Å; L445-F449 PolarHBondContact O-N 3.22Å; L445-V503 HydrophobicContact CD1-CB 4.13Å; L445-V503 HydrophobicContact CD1-CG1 3.57Å; L445-V503 HydrophobicContact CD1-CG2 4.22Å; L445-L505 HydrophobicContact CD1-CD1 3.93Å; L445-L505 HydrophobicContact CD1-CD2 4.37Å; L445-L505 HydrophobicContact CD1-CG 4.5Å
446	E	70	Confident	71.3	Confident	14 Å²	14	29.7 Å²	29.7	7%	0.065	17%	0.171	C	C	.	.	H	α-helix	trans	-58.8	-47	173.4	166.7	171.7	-150.1	0	0	111.2	L442 I443 S444 L448 F449 C450 V512 R515	L442-E446 VanDerWaalsContact O-CB 3.28Å; L442-E446 WeakPolarHBondContact O-CB 3.42Å; L442-E446 PolarHBondContact O-N 3.04Å; I443-E446 WeakPolarHBondContact O-CB 3.18Å; I443-E446 PolarHBondContact O-N 2.91Å; S444-E446 VanDerWaalsContact C-N 3.32Å; S444-E446 PolarHBondContact O-N 2.79Å; E446-L448 VanDerWaalsContact C-N 3.26Å; E446-L448 PolarHBondContact O-N 2.9Å; E446-F449 PolarHBondContact O-N 3.35Å; E446-C450 WeakPolarHBondContact O-CB 3.35Å; E446-C450 PolarHBondContact O-N 3.5Å; E446-C450 PolarHBondContact O-SG 3.27Å; E446-V512 HydrophobicContact CB-CG2 3.94Å; E446-V512 HydrophobicContact CG-CG2 3.89Å; E446-R515 WeakPolarHBondContact OE1-CD 2.96Å; E446-R515 IonicContact OE1-CZ 3.59Å; E446-R515 IonicContact OE1-NE 3.68Å; E446-R515 PolarHBondContact OE1-NE 3.36Å; E446-R515 VanDerWaalsContact OE1-NE 3.12Å; E446-R515 IonicContact OE1-NH1 3.04Å; E446-R515 PolarHBondContact OE1-NH1 2.92Å; E446-R515 IonicContact OE1-NH2 2.72Å; E446-R515 IonicContact OE2-NH1 2.72Å; E446-R515 PolarHBondContact OE2-NH1 3.27Å
447	C	71.4	Confident	71.5	Confident	45 Å²	45	29 Å²	29	30%	0.304	15%	0.153	S	C	.	.	H	α-helix	trans	-59.5	-37.7	174.8	-71.7	0	0	0	0	111.9	Y375 I443 S444 C450 S451	Y375-C447 HydrophobicContact CE1-CB 4.16Å; Y375-C447 HydrophobicContact CE2-CB 4.41Å; Y375-C447 WeakPolarHBondContact OH-CB 3.32Å; I443-C447 PolarHBondContact O-N 3.09Å; I443-C447 PolarHBondContact O-SG 2.63Å; S444-C447 WeakPolarHBondContact O-CB 3.38Å; S444-C447 PolarHBondContact O-N 3.46Å; C447-C450 PolarHBondContact O-N 2.94Å; C447-S451 WeakPolarHBondContact O-CB 3.42Å; C447-S451 PolarHBondContact O-N 3.37Å
448	L	74.8	Confident	72.3	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-49.5	175.8	-175.9	67	0	0	0	112.4	W365 Y375 I378 V409 V412 S444 L445 E446 C450 S451	W365-L448 HydrophobicContact CE3-CB 4.4Å; W365-L448 HydrophobicContact CH2-CD2 3.89Å; W365-L448 HydrophobicContact CZ3-CB 3.75Å; W365-L448 HydrophobicContact CZ3-CD1 4.48Å; W365-L448 HydrophobicContact CZ3-CD2 3.77Å; W365-L448 HydrophobicContact CZ3-CG 4.21Å; Y375-L448 HydrophobicContact CD1-CB 4.49Å; Y375-L448 HydrophobicContact CD1-CD1 3.91Å; Y375-L448 HydrophobicContact CE1-CB 3.78Å; Y375-L448 HydrophobicContact CE1-CD1 3.88Å; Y375-L448 HydrophobicContact CE1-CG 4.48Å; I378-L448 HydrophobicContact CD1-CD1 3.68Å; V409-L448 HydrophobicContact CG1-CD2 3.94Å; V409-L448 HydrophobicContact CG2-CD2 4.44Å; V409-L448 HydrophobicContact CG2-CG 4.25Å; V412-L448 HydrophobicContact CG1-CD2 4.29Å; S444-L448 PolarHBondContact O-N 3.11Å; L445-L448 WeakPolarHBondContact O-CB 3.5Å; L445-L448 PolarHBondContact O-N 3.29Å; L445-L448 VanDerWaalsContact O-N 3.16Å; E446-L448 VanDerWaalsContact C-N 3.26Å; E446-L448 PolarHBondContact O-N 2.9Å; L448-C450 VanDerWaalsContact C-N 3.33Å; L448-C450 PolarHBondContact O-N 3.46Å; L448-S451 WeakPolarHBondContact O-CB 3.39Å; L448-S451 PolarHBondContact O-N 2.97Å; L448-S451 PolarHBondContact O-OG 3.33Å
449	F	77.7	Confident	72.7	Confident	1 Å²	1	29.6 Å²	29.6	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-42.2	177.5	-59.6	-41.7	0	0	0	110.9	V409 L445 E446 S451 L491 L494 F495 V512 L516	V409-F449 HydrophobicContact CG1-CD1 4.28Å; V409-F449 HydrophobicContact CG1-CE1 3.78Å; L445-F449 HydrophobicContact CB-CE2 4.03Å; L445-F449 WeakPolarHBondContact O-CD2 3.46Å; L445-F449 WeakPolarHBondContact O-CG 3.03Å; L445-F449 PolarHBondContact O-N 3.22Å; E446-F449 PolarHBondContact O-N 3.35Å; F449-S451 PolarHBondContact O-N 3.01Å; F449-L491 HydrophobicContact CB-CD2 3.95Å; F449-L491 HydrophobicContact CD1-CD2 4.33Å; F449-L491 HydrophobicContact CG-CD2 4.2Å; F449-L494 HydrophobicContact CD1-CD1 4.28Å; F449-L494 HydrophobicContact CE1-CB 3.89Å; F449-L494 HydrophobicContact CE1-CD1 4.23Å; F449-L494 HydrophobicContact CZ-CB 4.42Å; F449-F495 HydrophobicContact CD2-CD1 4.24Å; F449-F495 AromaticContact CD2-CE1 3.43Å; F449-F495 HydrophobicContact CD2-CE1 3.43Å; F449-F495 VanDerWaalsContact CD2-CE1 3.43Å; F449-F495 HydrophobicContact CD2-CZ 4.08Å; F449-F495 AromaticContact CE2-CD1 3.65Å; F449-F495 HydrophobicContact CE2-CD1 3.65Å; F449-F495 AromaticContact CE2-CE1 3.28Å; F449-F495 HydrophobicContact CE2-CE1 3.28Å; F449-F495 HydrophobicContact CE2-CZ 4.32Å; F449-F495 HydrophobicContact CG-CE1 4.35Å; F449-F495 HydrophobicContact CZ-CD1 4.11Å; F449-F495 HydrophobicContact CZ-CE1 4.11Å; F449-V512 HydrophobicContact CB-CG1 3.58Å; F449-V512 HydrophobicContact CD2-CG1 4.22Å; F449-V512 HydrophobicContact CG-CG1 4.32Å; F449-L516 HydrophobicContact CB-CD1 4.35Å; F449-L516 WeakPolarHBondContact O-CD1 3.37Å
450	C	74.9	Confident	72.9	Confident	23 Å²	23	27.6 Å²	27.6	16%	0.155	14%	0.141	C	C	.	.	H	α-helix	trans	-69.7	-16.5	178.5	-67.2	0	0	0	0	113.8	E446 C447 L448 F452 K453	E446-C450 WeakPolarHBondContact O-CB 3.35Å; E446-C450 PolarHBondContact O-N 3.5Å; E446-C450 PolarHBondContact O-SG 3.27Å; C447-C450 PolarHBondContact O-N 2.94Å; L448-C450 VanDerWaalsContact C-N 3.33Å; L448-C450 PolarHBondContact O-N 3.46Å; C450-F452 PolarHBondContact O-N 3.29Å; C450-K453 WeakPolarHBondContact O-CB 3.29Å; C450-K453 PolarHBondContact O-N 3.4Å
451	S	76.1	Confident	72.8	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-25.8	178.8	69.6	0	0	0	0	113.1	I378 C447 L448 F449 K453 I454 T455	I378-S451 WeakPolarHBondContact CD1-OG 3.32Å; I378-S451 WeakPolarHBondContact CG2-OG 3.49Å; C447-S451 WeakPolarHBondContact O-CB 3.42Å; C447-S451 PolarHBondContact O-N 3.37Å; L448-S451 WeakPolarHBondContact O-CB 3.39Å; L448-S451 PolarHBondContact O-N 2.97Å; L448-S451 PolarHBondContact O-OG 3.33Å; F449-S451 PolarHBondContact O-N 3.01Å; S451-K453 PolarHBondContact O-N 2.9Å; S451-I454 WeakPolarHBondContact O-CB 3.47Å; S451-I454 PolarHBondContact O-N 2.89Å; S451-I454 VanDerWaalsContact O-N 3.09Å; S451-T455 PolarHBondContact O-N 2.87Å
452	F	82	Confident	71.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-27.4	172.1	-168.5	-110.6	0	0	0	112.9	I378 L401 F405 C450 I454 T455 L456 V486 L516	I378-F452 HydrophobicContact CG2-CB 4.47Å; L401-F452 HydrophobicContact CB-CE2 4.4Å; L401-F452 HydrophobicContact CB-CZ 4.41Å; F405-F452 HydrophobicContact CB-CD2 3.66Å; F405-F452 HydrophobicContact CB-CE2 3.8Å; F405-F452 HydrophobicContact CD1-CD2 4.22Å; F405-F452 HydrophobicContact CD1-CG 4.36Å; F405-F452 HydrophobicContact CD2-CB 3.83Å; F405-F452 AromaticContact CD2-CD2 3.75Å; F405-F452 HydrophobicContact CD2-CD2 3.75Å; F405-F452 HydrophobicContact CD2-CG 4.1Å; F405-F452 HydrophobicContact CE1-CB 4.45Å; F405-F452 HydrophobicContact CE2-CB 3.69Å; F405-F452 HydrophobicContact CE2-CD2 4.47Å; F405-F452 HydrophobicContact CE2-CG 4.38Å; F405-F452 HydrophobicContact CG-CB 4.27Å; F405-F452 AromaticContact CG-CD2 3.6Å; F405-F452 HydrophobicContact CG-CD2 3.6Å; F405-F452 HydrophobicContact CG-CE2 4.17Å; F405-F452 HydrophobicContact CG-CG 4.07Å; F405-F452 HydrophobicContact CZ-CB 4.01Å; C450-F452 PolarHBondContact O-N 3.29Å; F452-I454 VanDerWaalsContact C-N 3.27Å; F452-I454 PolarHBondContact O-N 2.94Å; F452-T455 HydrophobicContact CE2-CG2 4.45Å; F452-T455 WeakPolarHBondContact O-CA 3.44Å; F452-T455 WeakPolarHBondContact O-CB 3.29Å; F452-T455 PolarHBondContact O-N 3.38Å; F452-T455 VanDerWaalsContact O-N 3.11Å; F452-L456 HydrophobicContact CD1-CD1 3.8Å; F452-L456 HydrophobicContact CD1-CD2 4.4Å; F452-L456 HydrophobicContact CD1-CG 3.96Å; F452-L456 HydrophobicContact CE1-CD1 3.74Å; F452-L456 HydrophobicContact CE1-CD2 3.67Å; F452-L456 HydrophobicContact CE1-CG 3.74Å; F452-L456 HydrophobicContact CZ-CD2 3.98Å; F452-L456 HydrophobicContact CZ-CG 4.35Å; F452-L456 WeakPolarHBondContact O-CG 3.39Å; F452-L456 PolarHBondContact O-N 3.24Å; F452-V486 HydrophobicContact CD1-CB 4.36Å; F452-V486 HydrophobicContact CD1-CG1 4.14Å; F452-V486 HydrophobicContact CD1-CG2 4.04Å; F452-V486 HydrophobicContact CE1-CB 4.15Å; F452-V486 HydrophobicContact CE1-CG1 4.42Å; F452-V486 HydrophobicContact CE1-CG2 3.55Å; F452-V486 HydrophobicContact CZ-CG2 3.87Å; F452-L516 HydrophobicContact CB-CD2 4.22Å
453	K	74.6	Confident	70.8	Confident	48 Å²	48	37.6 Å²	37.6	21%	0.209	18%	0.183	C	C	.	.	H	α-helix	trans	-57.2	-43.8	173	-171.2	-172.2	178.6	-168	0	111	C450 S451 T455 L456 E457 L516	C450-K453 WeakPolarHBondContact O-CB 3.29Å; C450-K453 PolarHBondContact O-N 3.4Å; S451-K453 PolarHBondContact O-N 2.9Å; K453-T455 VanDerWaalsContact C-N 3.26Å; K453-T455 PolarHBondContact O-N 3.29Å; K453-L456 PolarHBondContact O-N 3.05Å; K453-L456 VanDerWaalsContact O-N 3.14Å; K453-E457 WeakPolarHBondContact CE-OE1 3.49Å; K453-E457 HydrophobicContact CG-CG 4.48Å; K453-E457 IonicContact NZ-OE1 2.87Å; K453-E457 WeakPolarHBondContact O-CG 3.32Å; K453-E457 PolarHBondContact O-N 3.41Å; K453-L516 HydrophobicContact CB-CD2 4.15Å
454	I	75.1	Confident	69.7	Low	39 Å²	39	38.6 Å²	38.6	20%	0.2	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-38.3	178.6	-56.9	172.5	0	0	0	109.9	Y367 C379 S451 F452 E457 R458	Y367-I454 HydrophobicContact CE1-CD1 4.2Å; Y367-I454 HydrophobicContact CE2-CD1 4.45Å; C379-I454 HydrophobicContact CB-CG2 4.39Å; S451-I454 WeakPolarHBondContact O-CB 3.47Å; S451-I454 PolarHBondContact O-N 2.89Å; S451-I454 VanDerWaalsContact O-N 3.09Å; F452-I454 VanDerWaalsContact C-N 3.27Å; F452-I454 PolarHBondContact O-N 2.94Å; I454-E457 PolarHBondContact O-N 3.34Å; I454-R458 WeakPolarHBondContact O-CB 3.33Å; I454-R458 VanDerWaalsContact O-CG 3.29Å; I454-R458 WeakPolarHBondContact O-CG 3.29Å; I454-R458 PolarHBondContact O-N 3.39Å
455	T	81.6	Confident	68.6	Low	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-47.6	173.7	-46.6	0	0	0	0	111.4	I378 L381 A382 L401 S451 F452 K453 R458 L459	I378-T455 PolarHBondContact O-OG1 3.13Å; L381-T455 HydrophobicContact CB-CG2 3.71Å; A382-T455 HydrophobicContact CB-CG2 3.92Å; L401-T455 HydrophobicContact CD2-CG2 4.25Å; S451-T455 PolarHBondContact O-N 2.87Å; F452-T455 HydrophobicContact CE2-CG2 4.45Å; F452-T455 WeakPolarHBondContact O-CA 3.44Å; F452-T455 WeakPolarHBondContact O-CB 3.29Å; F452-T455 PolarHBondContact O-N 3.38Å; F452-T455 VanDerWaalsContact O-N 3.11Å; K453-T455 VanDerWaalsContact C-N 3.26Å; K453-T455 PolarHBondContact O-N 3.29Å; T455-R458 PolarHBondContact O-N 2.94Å; T455-L459 WeakPolarHBondContact O-CG 3.33Å; T455-L459 PolarHBondContact O-N 2.86Å; T455-L459 VanDerWaalsContact O-N 3.12Å
456	L	76.2	Confident	67.3	Low	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-42.2	178.3	-62.5	171.5	0	0	0	112	F452 K453 R458 L459 I460 V479 C483	F452-L456 HydrophobicContact CD1-CD1 3.8Å; F452-L456 HydrophobicContact CD1-CD2 4.4Å; F452-L456 HydrophobicContact CD1-CG 3.96Å; F452-L456 HydrophobicContact CE1-CD1 3.74Å; F452-L456 HydrophobicContact CE1-CD2 3.67Å; F452-L456 HydrophobicContact CE1-CG 3.74Å; F452-L456 HydrophobicContact CZ-CD2 3.98Å; F452-L456 HydrophobicContact CZ-CG 4.35Å; F452-L456 WeakPolarHBondContact O-CG 3.39Å; F452-L456 PolarHBondContact O-N 3.24Å; K453-L456 PolarHBondContact O-N 3.05Å; K453-L456 VanDerWaalsContact O-N 3.14Å; L456-R458 VanDerWaalsContact C-N 3.31Å; L456-R458 PolarHBondContact O-N 2.97Å; L456-L459 HydrophobicContact CD2-CD1 4.47Å; L456-L459 WeakPolarHBondContact O-CB 3.42Å; L456-L459 PolarHBondContact O-N 3.44Å; L456-L459 VanDerWaalsContact O-N 3.17Å; L456-I460 WeakPolarHBondContact O-CG1 3.48Å; L456-I460 PolarHBondContact O-N 2.92Å; L456-I460 VanDerWaalsContact O-N 3.16Å; L456-V479 HydrophobicContact CB-CG1 4.27Å; L456-V479 HydrophobicContact CD2-CG1 3.88Å; L456-C483 HydrophobicContact CD1-CB 3.65Å; L456-C483 VanDerWaalsContact CD1-SG 3.53Å; L456-C483 HydrophobicContact CD2-CB 4.48Å
457	E	70.8	Confident	65.9	Low	69 Å²	69	59.7 Å²	59.7	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-41.8	175.7	-73.4	171.6	173.3	0	0	111.6	K453 I454 L459 I460 N461	K453-E457 WeakPolarHBondContact CE-OE1 3.49Å; K453-E457 HydrophobicContact CG-CG 4.48Å; K453-E457 IonicContact NZ-OE1 2.87Å; K453-E457 WeakPolarHBondContact O-CG 3.32Å; K453-E457 PolarHBondContact O-N 3.41Å; I454-E457 PolarHBondContact O-N 3.34Å; E457-L459 PolarHBondContact O-N 3.26Å; E457-I460 PolarHBondContact O-N 3.4Å; E457-N461 PolarHBondContact O-N 2.87Å
458	R	76.7	Confident	64.5	Low	114 Å²	114	61.7 Å²	61.7	43%	0.43	30%	0.304	S	S	.	.	H	α-helix	trans	-64.6	-36.8	175.2	-74.8	175.2	178	-163.8	-2.4	112.6	C379 A382 I454 T455 L456 I460 N461	C379-R458 VanDerWaalsContact C-NH1 3.32Å; C379-R458 WeakPolarHBondContact O-CD 3.42Å; C379-R458 PolarHBondContact O-NH1 3.16Å; A382-R458 HydrophobicContact CB-CB 3.62Å; I454-R458 WeakPolarHBondContact O-CB 3.33Å; I454-R458 VanDerWaalsContact O-CG 3.29Å; I454-R458 WeakPolarHBondContact O-CG 3.29Å; I454-R458 PolarHBondContact O-N 3.39Å; T455-R458 PolarHBondContact O-N 2.94Å; L456-R458 VanDerWaalsContact C-N 3.31Å; L456-R458 PolarHBondContact O-N 2.97Å; R458-I460 VanDerWaalsContact C-N 3.31Å; R458-I460 PolarHBondContact O-N 3.4Å; R458-N461 WeakPolarHBondContact O-CA 3.36Å; R458-N461 PolarHBondContact O-N 3.12Å; R458-N461 PolarHBondContact O-OD1 2.7Å
459	L	75.4	Confident	63.3	Low	8 Å²	8	64.8 Å²	64.8	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-66.6	-33.2	176.9	-70.5	170.3	0	0	0	113.2	A382 E385 W387 L401 T455 L456 E457 N461 V479	A382-L459 HydrophobicContact CB-CD2 4.04Å; A382-L459 HydrophobicContact CB-CG 4.02Å; A382-L459 VanDerWaalsContact O-CD2 3.3Å; A382-L459 WeakPolarHBondContact O-CD2 3.47Å; E385-L459 HydrophobicContact CB-CD2 3.55Å; E385-L459 HydrophobicContact CG-CD1 4.43Å; E385-L459 HydrophobicContact CG-CD2 3.74Å; W387-L459 HydrophobicContact CH2-CB 4.24Å; W387-L459 HydrophobicContact CH2-CD2 4.21Å; W387-L459 HydrophobicContact CZ2-CD2 3.88Å; L401-L459 HydrophobicContact CD1-CD1 3.39Å; T455-L459 WeakPolarHBondContact O-CG 3.33Å; T455-L459 PolarHBondContact O-N 2.86Å; T455-L459 VanDerWaalsContact O-N 3.12Å; L456-L459 HydrophobicContact CD2-CD1 4.47Å; L456-L459 WeakPolarHBondContact O-CB 3.42Å; L456-L459 PolarHBondContact O-N 3.44Å; L456-L459 VanDerWaalsContact O-N 3.17Å; E457-L459 PolarHBondContact O-N 3.26Å; L459-N461 PolarHBondContact O-N 3.02Å; L459-V479 HydrophobicContact CB-CG2 4.02Å; L459-V479 HydrophobicContact CD1-CG2 4.4Å
460	I	67.4	Low	62	Low	32 Å²	32	74.2 Å²	74.2	16%	0.164	37%	0.366	C	S	.	.	H	α-helix	trans	-73.1	-10.9	175.1	-61.7	166.5	0	0	0	111	L456 E457 R458 L471 V479	L456-I460 WeakPolarHBondContact O-CG1 3.48Å; L456-I460 PolarHBondContact O-N 2.92Å; L456-I460 VanDerWaalsContact O-N 3.16Å; E457-I460 PolarHBondContact O-N 3.4Å; R458-I460 VanDerWaalsContact C-N 3.31Å; R458-I460 PolarHBondContact O-N 3.4Å; I460-L471 HydrophobicContact CG2-CD2 4.16Å; I460-V479 HydrophobicContact CD1-CG1 4.01Å; I460-V479 HydrophobicContact CG1-CG1 4.09Å; I460-V479 HydrophobicContact CG1-CG2 4.42Å
461	N	61.3	Low	61.1	Low	73 Å²	73	75 Å²	75	39%	0.39	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	49.5	172.1	-88.4	-35.7	0	0	0	114.1	E457 R458 L459 E463 P469	E457-N461 PolarHBondContact O-N 2.87Å; R458-N461 WeakPolarHBondContact O-CA 3.36Å; R458-N461 PolarHBondContact O-N 3.12Å; R458-N461 PolarHBondContact O-OD1 2.7Å; L459-N461 PolarHBondContact O-N 3.02Å; N461-E463 VanDerWaalsContact C-N 3.3Å; N461-E463 PolarHBondContact O-N 2.91Å; N461-E463 VanDerWaalsContact O-N 3.08Å; N461-P469 HydrophobicContact CB-CG 3.45Å; N461-P469 VanDerWaalsContact CB-CG 3.45Å; N461-P469 WeakPolarHBondContact ND2-CG 3.48Å
462	F	48.1	Very low	60.2	Low	119 Å²	119	78.3 Å²	78.3	52%	0.522	39%	0.388	S	S	.	.			trans	-82.6	79.3	165.5	-150.5	-96.1	0	0	0	111.1	P464 F524	F462-P464 HydrophobicContact CD1-CB 4.43Å; F462-P464 HydrophobicContact CE1-CB 4.12Å; F462-P464 VanDerWaalsContact O-CD 3.32Å; F462-P464 WeakPolarHBondContact O-CD 3.27Å; F462-F524 HydrophobicContact CB-CE1 4.05Å; F462-F524 HydrophobicContact CB-CE2 3.69Å; F462-F524 HydrophobicContact CB-CZ 3.48Å; F462-F524 VanDerWaalsContact CB-CZ 3.48Å; F462-F524 HydrophobicContact CD1-CE1 4.27Å; F462-F524 AromaticContact CD1-CE2 3.62Å; F462-F524 HydrophobicContact CD1-CE2 3.62Å; F462-F524 AromaticContact CD1-CZ 3.21Å; F462-F524 HydrophobicContact CD1-CZ 3.21Å; F462-F524 HydrophobicContact CD2-CD1 4.47Å; F462-F524 AromaticContact CD2-CE1 3.19Å; F462-F524 HydrophobicContact CD2-CE1 3.19Å; F462-F524 HydrophobicContact CD2-CE2 4.05Å; F462-F524 AromaticContact CD2-CZ 2.99Å; F462-F524 HydrophobicContact CD2-CZ 2.99Å; F462-F524 HydrophobicContact CE1-CE2 4.17Å; F462-F524 AromaticContact CE1-CZ 3.51Å; F462-F524 HydrophobicContact CE1-CZ 3.51Å; F462-F524 AromaticContact CE2-CE1 3.49Å; F462-F524 HydrophobicContact CE2-CE1 3.49Å; F462-F524 VanDerWaalsContact CE2-CE1 3.49Å; F462-F524 AromaticContact CE2-CZ 3.3Å; F462-F524 HydrophobicContact CE2-CZ 3.3Å; F462-F524 AromaticContact CG-CE1 3.6Å; F462-F524 HydrophobicContact CG-CE1 3.6Å; F462-F524 AromaticContact CG-CE2 3.53Å; F462-F524 HydrophobicContact CG-CE2 3.53Å; F462-F524 AromaticContact CG-CZ 2.9Å; F462-F524 HydrophobicContact CG-CZ 2.9Å; F462-F524 HydrophobicContact CZ-CE1 4.14Å; F462-F524 AromaticContact CZ-CZ 3.54Å; F462-F524 HydrophobicContact CZ-CZ 3.54Å
463	E	45.2	Very low	59.2	Low	88 Å²	88	83 Å²	83	41%	0.411	41%	0.41	S	S	.	.			trans	-83.5	109.3	156	-85	-175.8	149.5	0	0	107.2	N461 S465 K466	N461-E463 VanDerWaalsContact C-N 3.3Å; N461-E463 PolarHBondContact O-N 2.91Å; N461-E463 VanDerWaalsContact O-N 3.08Å; E463-S465 PolarHBondContact O-N 3.22Å; E463-K466 HydrophobicContact CB-CB 4.16Å; E463-K466 VanDerWaalsContact CD-NZ 3.3Å; E463-K466 PolarHBondContact O-N 3.33Å; E463-K466 IonicContact OE1-NZ 2.88Å; E463-K466 PolarHBondContact OE1-NZ 3.47Å; E463-K466 WeakPolarHBondContact OE2-CB 3.39Å; E463-K466 WeakPolarHBondContact OE2-CD 3.44Å; E463-K466 WeakPolarHBondContact OE2-CE 3.49Å; E463-K466 WeakPolarHBondContact OE2-CG 3.31Å; E463-K466 IonicContact OE2-NZ 2.56Å; E463-K466 PolarHBondContact OE2-NZ 3.26Å
464	P	43.8	Very low	58.8	Low	115 Å²	115	88.7 Å²	88.7	75%	0.747	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.9	178.4	22.3	-31.6	0	0	0	112.8	F462	F462-P464 HydrophobicContact CD1-CB 4.43Å; F462-P464 HydrophobicContact CE1-CB 4.12Å; F462-P464 VanDerWaalsContact O-CD 3.32Å; F462-P464 WeakPolarHBondContact O-CD 3.27Å
465	S	46.8	Very low	58.6	Low	106 Å²	106	90.5 Å²	90.5	74%	0.741	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-10.9	-177.3	52.5	0	0	0	0	114.9	E463	E463-S465 PolarHBondContact O-N 3.22Å
466	K	42.9	Very low	57.9	Low	127 Å²	127	90.7 Å²	90.7	55%	0.552	44%	0.443	S	S	*	.	S	Bend	trans	-119.5	148.7	175.8	-64.4	-155	-162.5	100.9	0	110.2	E463 P468	E463-K466 HydrophobicContact CB-CB 4.16Å; E463-K466 VanDerWaalsContact CD-NZ 3.3Å; E463-K466 PolarHBondContact O-N 3.33Å; E463-K466 IonicContact OE1-NZ 2.88Å; E463-K466 PolarHBondContact OE1-NZ 3.47Å; E463-K466 WeakPolarHBondContact OE2-CB 3.39Å; E463-K466 WeakPolarHBondContact OE2-CD 3.44Å; E463-K466 WeakPolarHBondContact OE2-CE 3.49Å; E463-K466 WeakPolarHBondContact OE2-CG 3.31Å; E463-K466 IonicContact OE2-NZ 2.56Å; E463-K466 PolarHBondContact OE2-NZ 3.26Å; K466-P468 WeakPolarHBondContact O-CD 3.33Å; K466-P468 VanDerWaalsContact O-N 3.09Å
467	R	40.6	Very low	57.6	Low	242 Å²	242	94.2 Å²	94.2	91%	0.913	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-54.1	121.8	170.2	-80.1	-178.2	176.6	175.1	-1	107.4
468	P	43.1	Very low	57.9	Low	86 Å²	86	91.4 Å²	91.4	56%	0.558	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-56.6	129.5	-178.2	21.6	-31.4	0	0	0	107.5	K466 K470	K466-P468 WeakPolarHBondContact O-CD 3.33Å; K466-P468 VanDerWaalsContact O-N 3.09Å; P468-K470 PolarHBondContact O-N 3.44Å
469	P	48.2	Very low	57.9	Low	67 Å²	67	86.3 Å²	86.3	44%	0.435	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-54.5	135.9	168.5	23.2	-29.2	0	0	0	106.7	N461 L471	N461-P469 HydrophobicContact CB-CG 3.45Å; N461-P469 VanDerWaalsContact CB-CG 3.45Å; N461-P469 WeakPolarHBondContact ND2-CG 3.48Å; P469-L471 VanDerWaalsContact C-N 3.33Å; P469-L471 PolarHBondContact O-N 3.06Å
470	K	50.7	Low	57.8	Low	200 Å²	200	87.2 Å²	87.2	87%	0.87	44%	0.436	S	S	*	.			trans	-53.8	101.2	177.1	-77.4	-176.1	175.6	-175.7	0	108	P468 T472	P468-K470 PolarHBondContact O-N 3.44Å; K470-T472 PolarHBondContact O-N 3.25Å
471	L	56	Low	58.2	Low	39 Å²	39	86.4 Å²	86.4	20%	0.204	43%	0.434	C	S	.	.			trans	-62.6	111.3	171.7	-171.6	76.4	0	0	0	105.3	I460 P469 K475 L476	I460-L471 HydrophobicContact CG2-CD2 4.16Å; P469-L471 VanDerWaalsContact C-N 3.33Å; P469-L471 PolarHBondContact O-N 3.06Å; L471-K475 HydrophobicContact CD1-CB 4.01Å; L471-L476 HydrophobicContact CD2-CB 3.93Å; L471-L476 HydrophobicContact CD2-CD1 3.92Å; L471-L476 HydrophobicContact CD2-CG 4.36Å; L471-L476 HydrophobicContact CG-CB 4.37Å
472	T	58.4	Low	59.3	Low	72 Å²	72	82.9 Å²	82.9	44%	0.442	42%	0.415	S	S	.	.			trans	-76.7	148.5	176.9	57	0	0	0	0	108.8	K470 K474 K475 L476	K470-T472 PolarHBondContact O-N 3.25Å; T472-K474 PolarHBondContact O-N 3.34Å; T472-K474 VanDerWaalsContact O-N 3.07Å; T472-K475 WeakPolarHBondContact O-CA 3.37Å; T472-K475 WeakPolarHBondContact O-CB 3.5Å; T472-K475 PolarHBondContact O-N 2.93Å; T472-K475 WeakPolarHBondContact OG1-CG 3.26Å; T472-L476 PolarHBondContact O-N 2.85Å; T472-L476 VanDerWaalsContact O-N 3.14Å
473	E	59.8	Low	60.7	Low	97 Å²	97	77.3 Å²	77.3	45%	0.453	39%	0.39	S	S	.	.	H	α-helix	trans	-42.4	-45	172.4	-72	170.7	177.4	0	0	112	K475 L476 L477 V557 C558	E473-K475 PolarHBondContact O-N 2.96Å; E473-L476 PolarHBondContact O-N 3.42Å; E473-L477 WeakPolarHBondContact O-CG 3.34Å; E473-L477 PolarHBondContact O-N 2.84Å; E473-V557 WeakPolarHBondContact CG-O 3.48Å; E473-C558 HydrophobicContact CG-CB 4.34Å
474	K	65.9	Low	62.2	Low	168 Å²	168	75 Å²	75	73%	0.73	38%	0.381	S	S	*	.	H	α-helix	trans	-59	-42.6	177.9	-64.4	-172.5	178.4	-175.8	0	112.9	T472 V478	T472-K474 PolarHBondContact O-N 3.34Å; T472-K474 VanDerWaalsContact O-N 3.07Å; K474-V478 WeakPolarHBondContact O-CG2 3.45Å; K474-V478 PolarHBondContact O-N 2.91Å; K474-V478 VanDerWaalsContact O-N 3.1Å
475	K	71.3	Confident	64	Low	78 Å²	78	70.4 Å²	70.4	34%	0.339	35%	0.349	S	S	.	.	H	α-helix	trans	-69.6	-39.3	179.6	-74.7	-171.8	173.2	-171.1	0	111.8	W387 L471 T472 E473 V478 V479	W387-K475 HydrophobicContact CD2-CG 4.32Å; W387-K475 HydrophobicContact CE3-CB 4.05Å; W387-K475 HydrophobicContact CE3-CD 4.15Å; W387-K475 HydrophobicContact CE3-CG 3.61Å; W387-K475 HydrophobicContact CH2-CB 4.11Å; W387-K475 HydrophobicContact CH2-CD 3.91Å; W387-K475 HydrophobicContact CH2-CG 4.06Å; W387-K475 HydrophobicContact CZ2-CD 4.29Å; W387-K475 HydrophobicContact CZ3-CB 3.48Å; W387-K475 VanDerWaalsContact CZ3-CB 3.48Å; W387-K475 HydrophobicContact CZ3-CD 3.86Å; W387-K475 HydrophobicContact CZ3-CG 3.48Å; W387-K475 VanDerWaalsContact CZ3-CG 3.48Å; L471-K475 HydrophobicContact CD1-CB 4.01Å; T472-K475 WeakPolarHBondContact O-CA 3.37Å; T472-K475 WeakPolarHBondContact O-CB 3.5Å; T472-K475 PolarHBondContact O-N 2.93Å; T472-K475 WeakPolarHBondContact OG1-CG 3.26Å; E473-K475 PolarHBondContact O-N 2.96Å; K475-V478 PolarHBondContact O-N 3.38Å; K475-V479 WeakPolarHBondContact O-CG2 3.48Å; K475-V479 PolarHBondContact O-N 2.83Å
476	L	68.2	Low	65.8	Low	4 Å²	4	65.4 Å²	65.4	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-63.8	-45	176	-177	63.5	0	0	0	110.9	L471 T472 E473 V478 V479 V480 F522 V557 C558 L561	L471-L476 HydrophobicContact CD2-CB 3.93Å; L471-L476 HydrophobicContact CD2-CD1 3.92Å; L471-L476 HydrophobicContact CD2-CG 4.36Å; L471-L476 HydrophobicContact CG-CB 4.37Å; T472-L476 PolarHBondContact O-N 2.85Å; T472-L476 VanDerWaalsContact O-N 3.14Å; E473-L476 PolarHBondContact O-N 3.42Å; L476-V478 VanDerWaalsContact C-N 3.28Å; L476-V478 PolarHBondContact O-N 3.44Å; L476-V479 PolarHBondContact O-N 2.84Å; L476-V480 HydrophobicContact CD1-CG2 4.44Å; L476-V480 HydrophobicContact CG-CG2 4.44Å; L476-V480 VanDerWaalsContact O-CG2 3.27Å; L476-V480 WeakPolarHBondContact O-CG2 3.27Å; L476-V480 PolarHBondContact O-N 3.35Å; L476-F522 HydrophobicContact CD1-CE1 4.43Å; L476-F522 HydrophobicContact CD1-CZ 4.23Å; L476-V557 HydrophobicContact CD2-CG1 4.37Å; L476-C558 HydrophobicContact CD2-CB 3.78Å; L476-L561 HydrophobicContact CD2-CD1 4.08Å; L476-L561 HydrophobicContact CG-CD1 4.17Å
477	L	69.2	Low	67.4	Low	74 Å²	74	60.7 Å²	60.7	39%	0.387	30%	0.295	S	S	.	.	H	α-helix	trans	-57.3	-40.7	174.9	-76.4	165.7	0	0	0	112.2	E473 V480 A481 L561	E473-L477 WeakPolarHBondContact O-CG 3.34Å; E473-L477 PolarHBondContact O-N 2.84Å; L477-V480 PolarHBondContact O-N 3.35Å; L477-A481 VanDerWaalsContact O-CB 3.26Å; L477-A481 WeakPolarHBondContact O-CB 3.36Å; L477-A481 PolarHBondContact O-N 3.05Å; L477-L561 HydrophobicContact CD2-CD1 3.89Å; L477-L561 HydrophobicContact CD2-CD2 3.82Å; L477-L561 HydrophobicContact CD2-CG 3.91Å; L477-L561 HydrophobicContact CG-CD1 4.38Å
478	V	76.9	Confident	69.1	Low	10 Å²	10	55.9 Å²	55.9	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-46.6	175.7	171.2	0	0	0	0	112	W387 L389 T399 K474 K475 L476 V480 A481 N482	W387-V478 HydrophobicContact CE3-CB 4.32Å; W387-V478 HydrophobicContact CE3-CG1 4.1Å; W387-V478 HydrophobicContact CZ3-CG1 4.47Å; L389-V478 HydrophobicContact CD1-CG2 3.9Å; L389-V478 HydrophobicContact CD2-CG1 4.38Å; L389-V478 HydrophobicContact CD2-CG2 4.11Å; L389-V478 HydrophobicContact CG-CG2 3.84Å; T399-V478 HydrophobicContact CG2-CG1 3.51Å; K474-V478 WeakPolarHBondContact O-CG2 3.45Å; K474-V478 PolarHBondContact O-N 2.91Å; K474-V478 VanDerWaalsContact O-N 3.1Å; K475-V478 PolarHBondContact O-N 3.38Å; L476-V478 VanDerWaalsContact C-N 3.28Å; L476-V478 PolarHBondContact O-N 3.44Å; V478-V480 VanDerWaalsContact C-N 3.31Å; V478-V480 PolarHBondContact O-N 3.48Å; V478-A481 PolarHBondContact O-N 3.02Å; V478-N482 WeakPolarHBondContact O-CB 3.46Å; V478-N482 PolarHBondContact O-N 3.22Å
479	V	76.3	Confident	71.1	Confident	7 Å²	7	53.6 Å²	53.6	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-62.6	-41.6	178.4	174	0	0	0	0	110.7	W387 L456 L459 I460 K475 L476 C483	W387-V479 HydrophobicContact CH2-CG2 4.48Å; W387-V479 HydrophobicContact CZ3-CG2 4.29Å; L456-V479 HydrophobicContact CB-CG1 4.27Å; L456-V479 HydrophobicContact CD2-CG1 3.88Å; L459-V479 HydrophobicContact CB-CG2 4.02Å; L459-V479 HydrophobicContact CD1-CG2 4.4Å; I460-V479 HydrophobicContact CD1-CG1 4.01Å; I460-V479 HydrophobicContact CG1-CG1 4.09Å; I460-V479 HydrophobicContact CG1-CG2 4.42Å; K475-V479 WeakPolarHBondContact O-CG2 3.48Å; K475-V479 PolarHBondContact O-N 2.83Å; L476-V479 PolarHBondContact O-N 2.84Å; V479-C483 WeakPolarHBondContact O-CB 3.18Å; V479-C483 PolarHBondContact O-N 2.95Å
480	V	73	Confident	73	Confident	28 Å²	28	50.4 Å²	50.4	17%	0.17	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-47.5	176.3	169.5	0	0	0	0	111.1	L476 L477 V478 N482 C483 D484 I518 L561	L476-V480 HydrophobicContact CD1-CG2 4.44Å; L476-V480 HydrophobicContact CG-CG2 4.44Å; L476-V480 VanDerWaalsContact O-CG2 3.27Å; L476-V480 WeakPolarHBondContact O-CG2 3.27Å; L476-V480 PolarHBondContact O-N 3.35Å; L477-V480 PolarHBondContact O-N 3.35Å; V478-V480 VanDerWaalsContact C-N 3.31Å; V478-V480 PolarHBondContact O-N 3.48Å; V480-N482 PolarHBondContact O-N 3.35Å; V480-C483 PolarHBondContact O-N 3.46Å; V480-D484 WeakPolarHBondContact O-CB 3.4Å; V480-D484 PolarHBondContact O-N 3.49Å; V480-I518 HydrophobicContact CB-CD1 4Å; V480-I518 HydrophobicContact CG1-CD1 3.72Å; V480-I518 HydrophobicContact CG2-CD1 4.08Å; V480-L561 HydrophobicContact CG2-CD1 4.16Å
481	A	77.2	Confident	74.5	Confident	14 Å²	14	40.9 Å²	40.9	12%	0.116	20%	0.196	C	C	.	.	H	α-helix	trans	-60.1	-44.4	179.1	0	0	0	0	0	111.8	L389 S397 L477 V478 C483 D484 Y485	L389-A481 HydrophobicContact CD2-CB 4.21Å; S397-A481 WeakPolarHBondContact O-CB 3.44Å; L477-A481 VanDerWaalsContact O-CB 3.26Å; L477-A481 WeakPolarHBondContact O-CB 3.36Å; L477-A481 PolarHBondContact O-N 3.05Å; V478-A481 PolarHBondContact O-N 3.02Å; A481-C483 PolarHBondContact O-N 2.96Å; A481-D484 PolarHBondContact O-N 3.29Å; A481-Y485 WeakPolarHBondContact O-CB 3.45Å; A481-Y485 PolarHBondContact O-N 2.81Å
482	N	84.1	Confident	75.8	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62	-43.5	175.5	-78.3	-16.8	0	0	0	112.7	K398 T399 P402 V478 V480 Y485 V486	K398-N482 WeakPolarHBondContact CA-OD1 3.36Å; T399-N482 PolarHBondContact N-OD1 2.88Å; T399-N482 PolarHBondContact OG1-ND2 3.47Å; T399-N482 PolarHBondContact OG1-OD1 3.37Å; P402-N482 HydrophobicContact CG-CB 4.09Å; V478-N482 WeakPolarHBondContact O-CB 3.46Å; V478-N482 PolarHBondContact O-N 3.22Å; V480-N482 PolarHBondContact O-N 3.35Å; N482-Y485 PolarHBondContact O-N 3.28Å; N482-V486 WeakPolarHBondContact O-CG2 3.35Å; N482-V486 PolarHBondContact O-N 3.4Å
483	C	77.9	Confident	77.2	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.007	21%	0.206	C	C	.	.	H	α-helix	trans	-68.3	-43.4	179.9	-169.7	0	0	0	0	111.7	L456 V479 V480 A481 Y485 V486 L487 L516 I518	L456-C483 HydrophobicContact CD1-CB 3.65Å; L456-C483 VanDerWaalsContact CD1-SG 3.53Å; L456-C483 HydrophobicContact CD2-CB 4.48Å; V479-C483 WeakPolarHBondContact O-CB 3.18Å; V479-C483 PolarHBondContact O-N 2.95Å; V480-C483 PolarHBondContact O-N 3.46Å; A481-C483 PolarHBondContact O-N 2.96Å; C483-Y485 VanDerWaalsContact C-N 3.3Å; C483-Y485 PolarHBondContact O-N 2.94Å; C483-V486 PolarHBondContact O-N 3.48Å; C483-L487 VanDerWaalsContact O-CG 3.29Å; C483-L487 WeakPolarHBondContact O-CG 3.09Å; C483-L487 PolarHBondContact O-N 3.31Å; C483-L516 PolarHBondContact SG-O 3.16Å; C483-I518 HydrophobicContact CB-CD1 3.75Å; C483-I518 HydrophobicContact CB-CG1 3.57Å; C483-I518 WeakPolarHBondContact SG-CG1 3.25Å
484	D	75.2	Confident	78.4	Confident	39 Å²	39	39.7 Å²	39.7	21%	0.209	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-39.8	175.2	-168.4	46.3	0	0	0	111.4	M396 V480 A481 L487 R488	M396-D484 HydrophobicContact CE-CB 4.06Å; M396-D484 WeakPolarHBondContact CE-OD2 3.32Å; V480-D484 WeakPolarHBondContact O-CB 3.4Å; V480-D484 PolarHBondContact O-N 3.49Å; A481-D484 PolarHBondContact O-N 3.29Å; D484-L487 PolarHBondContact O-N 3.1Å; D484-R488 VanDerWaalsContact CG-CZ 3.43Å; D484-R488 VanDerWaalsContact CG-NE 3.28Å; D484-R488 VanDerWaalsContact CG-NH2 3.31Å; D484-R488 WeakPolarHBondContact O-CB 3.35Å; D484-R488 VanDerWaalsContact O-CG 3.3Å; D484-R488 WeakPolarHBondContact O-CG 3.15Å; D484-R488 PolarHBondContact O-N 3.47Å; D484-R488 IonicContact OD1-CZ 3.17Å; D484-R488 IonicContact OD1-NE 2.78Å; D484-R488 PolarHBondContact OD1-NE 2.85Å; D484-R488 IonicContact OD1-NH2 2.95Å; D484-R488 PolarHBondContact OD1-NH2 2.96Å; D484-R488 IonicContact OD2-CZ 2.91Å; D484-R488 IonicContact OD2-NE 3.16Å; D484-R488 PolarHBondContact OD2-NE 3.27Å; D484-R488 VanDerWaalsContact OD2-NE 3.16Å; D484-R488 IonicContact OD2-NH1 3.43Å; D484-R488 PolarHBondContact OD2-NH1 3.49Å; D484-R488 IonicContact OD2-NH2 2.88Å; D484-R488 PolarHBondContact OD2-NH2 2.68Å
485	Y	82.5	Confident	79	Confident	20 Å²	20	32.2 Å²	32.2	8%	0.078	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-45.9	173.8	-167.5	-82.9	0	0	0	112.5	C392 M396 K398 P402 A481 N482 C483 L487 R488 F489	C392-Y485 HydrophobicContact CB-CE2 4.29Å; M396-Y485 HydrophobicContact CB-CD2 4.48Å; K398-Y485 HydrophobicContact CB-CD2 4.18Å; K398-Y485 HydrophobicContact CB-CG 4.09Å; K398-Y485 HydrophobicContact CD-CD1 3.66Å; K398-Y485 HydrophobicContact CD-CD2 3.85Å; K398-Y485 HydrophobicContact CD-CE1 3.57Å; K398-Y485 HydrophobicContact CD-CE2 3.76Å; K398-Y485 HydrophobicContact CD-CG 3.8Å; K398-Y485 HydrophobicContact CG-CD2 4.19Å; K398-Y485 HydrophobicContact CG-CE2 4.32Å; K398-Y485 HydrophobicContact CG-CG 4.36Å; K398-Y485 VanDerWaalsContact NZ-CE1 3.32Å; K398-Y485 PolarHBondContact NZ-OH 2.83Å; P402-Y485 HydrophobicContact CB-CD1 3.76Å; P402-Y485 HydrophobicContact CB-CE1 4.34Å; P402-Y485 HydrophobicContact CG-CD1 4.23Å; A481-Y485 WeakPolarHBondContact O-CB 3.45Å; A481-Y485 PolarHBondContact O-N 2.81Å; N482-Y485 PolarHBondContact O-N 3.28Å; C483-Y485 VanDerWaalsContact C-N 3.3Å; C483-Y485 PolarHBondContact O-N 2.94Å; Y485-L487 VanDerWaalsContact C-N 3.34Å; Y485-L487 PolarHBondContact O-N 2.83Å; Y485-R488 PolarHBondContact O-N 3.33Å; Y485-F489 HydrophobicContact CD1-CB 4.4Å; Y485-F489 HydrophobicContact CD1-CD2 4.3Å; Y485-F489 AromaticContact CD2-CD2 3.68Å; Y485-F489 HydrophobicContact CD2-CD2 3.68Å; Y485-F489 HydrophobicContact CD2-CE2 4.07Å; Y485-F489 HydrophobicContact CE1-CB 4.05Å; Y485-F489 HydrophobicContact CE1-CD2 4.34Å; Y485-F489 AromaticContact CE2-CD2 3.73Å; Y485-F489 HydrophobicContact CE2-CD2 3.73Å; Y485-F489 HydrophobicContact CE2-CE2 4.17Å; Y485-F489 HydrophobicContact CE2-CG 4.4Å; Y485-F489 AromaticContact CG-CD2 3.99Å; Y485-F489 HydrophobicContact CG-CD2 3.99Å; Y485-F489 PolarHBondContact O-N 3.27Å
486	V	83.9	Confident	79.5	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.006	16%	0.159	C	C	.	.	I	π-helix	trans	-61.3	-44.4	178.6	166.7	0	0	0	0	111.2	P402 F405 F452 N482 C483 C490 L491	P402-V486 HydrophobicContact CB-CG2 3.64Å; P402-V486 HydrophobicContact CG-CG2 3.96Å; F405-V486 HydrophobicContact CD1-CG1 4.26Å; F405-V486 HydrophobicContact CD1-CG2 4.29Å; F405-V486 HydrophobicContact CE1-CG1 3.91Å; F452-V486 HydrophobicContact CD1-CB 4.36Å; F452-V486 HydrophobicContact CD1-CG1 4.14Å; F452-V486 HydrophobicContact CD1-CG2 4.04Å; F452-V486 HydrophobicContact CE1-CB 4.15Å; F452-V486 HydrophobicContact CE1-CG1 4.42Å; F452-V486 HydrophobicContact CE1-CG2 3.55Å; F452-V486 HydrophobicContact CZ-CG2 3.87Å; N482-V486 WeakPolarHBondContact O-CG2 3.35Å; N482-V486 PolarHBondContact O-N 3.4Å; C483-V486 PolarHBondContact O-N 3.48Å; V486-C490 HydrophobicContact CB-CB 4.4Å; V486-C490 HydrophobicContact CG1-CB 4.29Å; V486-C490 HydrophobicContact CG2-CB 4.36Å; V486-C490 PolarHBondContact O-N 2.86Å; V486-L491 HydrophobicContact CG1-CG 4.06Å; V486-L491 PolarHBondContact O-N 3.33Å
487	L	76.9	Confident	80.1	Confident	28 Å²	28	38.4 Å²	38.4	15%	0.147	18%	0.177	C	C	.	.	I	π-helix	trans	-64.4	-42	179.6	-70.5	164.8	0	0	0	112.4	C483 D484 Y485 L491 P492 S513 L516	C483-L487 VanDerWaalsContact O-CG 3.29Å; C483-L487 WeakPolarHBondContact O-CG 3.09Å; C483-L487 PolarHBondContact O-N 3.31Å; D484-L487 PolarHBondContact O-N 3.1Å; Y485-L487 VanDerWaalsContact C-N 3.34Å; Y485-L487 PolarHBondContact O-N 2.83Å; L487-L491 HydrophobicContact CD2-CD1 3.87Å; L487-P492 WeakPolarHBondContact O-CD 3.41Å; L487-S513 WeakPolarHBondContact CD2-O 3.47Å; L487-L516 HydrophobicContact CD2-CB 3.67Å
488	R	77.4	Confident	80.3	Confident	140 Å²	140	34.9 Å²	34.9	53%	0.528	16%	0.159	S	C	.	.	I	π-helix	trans	-82.5	-30.1	-175.3	-69.2	-178.1	-168	-176	6.1	114.2	D484 Y485	D484-R488 VanDerWaalsContact CG-CZ 3.43Å; D484-R488 VanDerWaalsContact CG-NE 3.28Å; D484-R488 VanDerWaalsContact CG-NH2 3.31Å; D484-R488 WeakPolarHBondContact O-CB 3.35Å; D484-R488 VanDerWaalsContact O-CG 3.3Å; D484-R488 WeakPolarHBondContact O-CG 3.15Å; D484-R488 PolarHBondContact O-N 3.47Å; D484-R488 IonicContact OD1-CZ 3.17Å; D484-R488 IonicContact OD1-NE 2.78Å; D484-R488 PolarHBondContact OD1-NE 2.85Å; D484-R488 IonicContact OD1-NH2 2.95Å; D484-R488 PolarHBondContact OD1-NH2 2.96Å; D484-R488 IonicContact OD2-CZ 2.91Å; D484-R488 IonicContact OD2-NE 3.16Å; D484-R488 PolarHBondContact OD2-NE 3.27Å; D484-R488 VanDerWaalsContact OD2-NE 3.16Å; D484-R488 IonicContact OD2-NH1 3.43Å; D484-R488 PolarHBondContact OD2-NH1 3.49Å; D484-R488 IonicContact OD2-NH2 2.88Å; D484-R488 PolarHBondContact OD2-NH2 2.68Å; Y485-R488 PolarHBondContact O-N 3.33Å
489	F	84.8	Confident	80.2	Confident	38 Å²	38	36.7 Å²	36.7	17%	0.167	17%	0.172	C	C	.	.	I	π-helix	trans	-126	-51.5	-169.8	-56.7	-73.5	0	0	0	113.8	K394 M396 Y485 R493	K394-F489 HydrophobicContact CD-CE1 4.47Å; M396-F489 HydrophobicContact CE-CE2 4.43Å; M396-F489 HydrophobicContact CG-CE2 4.01Å; M396-F489 HydrophobicContact CG-CZ 4.4Å; Y485-F489 HydrophobicContact CD1-CB 4.4Å; Y485-F489 HydrophobicContact CD1-CD2 4.3Å; Y485-F489 AromaticContact CD2-CD2 3.68Å; Y485-F489 HydrophobicContact CD2-CD2 3.68Å; Y485-F489 HydrophobicContact CD2-CE2 4.07Å; Y485-F489 HydrophobicContact CE1-CB 4.05Å; Y485-F489 HydrophobicContact CE1-CD2 4.34Å; Y485-F489 AromaticContact CE2-CD2 3.73Å; Y485-F489 HydrophobicContact CE2-CD2 3.73Å; Y485-F489 HydrophobicContact CE2-CE2 4.17Å; Y485-F489 HydrophobicContact CE2-CG 4.4Å; Y485-F489 AromaticContact CG-CD2 3.99Å; Y485-F489 HydrophobicContact CG-CD2 3.99Å; Y485-F489 PolarHBondContact O-N 3.27Å; F489-R493 WeakPolarHBondContact O-CD 3.08Å; F489-R493 VanDerWaalsContact O-CG 3.25Å; F489-R493 WeakPolarHBondContact O-CG 3.25Å; F489-R493 PolarHBondContact O-N 2.96Å
490	C	87.8	Confident	80	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.202	C	C	.	.	I	π-helix	trans	-67.8	-50.8	-175.2	-59.5	0	0	0	0	111.3	E406 V486 R493 L494	E406-C490 PolarHBondContact OE2-SG 2.97Å; V486-C490 HydrophobicContact CB-CB 4.4Å; V486-C490 HydrophobicContact CG1-CB 4.29Å; V486-C490 HydrophobicContact CG2-CB 4.36Å; V486-C490 PolarHBondContact O-N 2.86Å; C490-R493 PolarHBondContact O-N 3.38Å; C490-L494 WeakPolarHBondContact O-CB 3.18Å; C490-L494 VanDerWaalsContact O-CG 3.24Å; C490-L494 WeakPolarHBondContact O-CG 3.32Å; C490-L494 PolarHBondContact O-N 3.45Å
491	L	82.7	Confident	79.7	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-49.7	-178.8	-72.3	-178.2	0	0	0	112.9	F449 V486 L487 R493 L494 F495 V512 L516	F449-L491 HydrophobicContact CB-CD2 3.95Å; F449-L491 HydrophobicContact CD1-CD2 4.33Å; F449-L491 HydrophobicContact CG-CD2 4.2Å; V486-L491 HydrophobicContact CG1-CG 4.06Å; V486-L491 PolarHBondContact O-N 3.33Å; L487-L491 HydrophobicContact CD2-CD1 3.87Å; L491-R493 VanDerWaalsContact C-N 3.29Å; L491-R493 PolarHBondContact O-N 3.46Å; L491-L494 PolarHBondContact O-N 3.28Å; L491-F495 HydrophobicContact CB-CD2 4.2Å; L491-F495 HydrophobicContact CB-CE2 3.78Å; L491-F495 HydrophobicContact CB-CZ 4.5Å; L491-F495 HydrophobicContact CD2-CZ 4.46Å; L491-F495 WeakPolarHBondContact O-CB 3.36Å; L491-F495 WeakPolarHBondContact O-CD2 3.43Å; L491-F495 VanDerWaalsContact O-CG 3.26Å; L491-F495 WeakPolarHBondContact O-CG 3.49Å; L491-F495 PolarHBondContact O-N 3.08Å; L491-V512 HydrophobicContact CD1-CG1 4.41Å; L491-V512 HydrophobicContact CD2-CG1 4.44Å; L491-L516 HydrophobicContact CD1-CB 4.48Å; L491-L516 HydrophobicContact CD1-CD1 3.42Å; L491-L516 VanDerWaalsContact CD1-CD1 3.42Å; L491-L516 HydrophobicContact CD2-CD1 3.73Å; L491-L516 HydrophobicContact CG-CD1 4.06Å
492	P	81.7	Confident	79	Confident	64 Å²	64	44.8 Å²	44.8	42%	0.416	22%	0.215	S	C	.	.	H	α-helix	trans	-54.8	-42	175.5	-29.4	37.5	0	0	0	113.7	L487 F495 E496	L487-P492 WeakPolarHBondContact O-CD 3.41Å; P492-F495 PolarHBondContact O-N 3.11Å; P492-E496 WeakPolarHBondContact O-CB 3.29Å; P492-E496 PolarHBondContact O-N 3.41Å
493	R	87.8	Confident	78	Confident	119 Å²	119	45.4 Å²	45.4	45%	0.449	22%	0.218	S	C	.	.	H	α-helix	trans	-66.6	-43.9	177.5	-70.3	172.4	-175	170.3	1.6	112.3	F489 C490 L491 F495 E496 R497	F489-R493 WeakPolarHBondContact O-CD 3.08Å; F489-R493 VanDerWaalsContact O-CG 3.25Å; F489-R493 WeakPolarHBondContact O-CG 3.25Å; F489-R493 PolarHBondContact O-N 2.96Å; C490-R493 PolarHBondContact O-N 3.38Å; L491-R493 VanDerWaalsContact C-N 3.29Å; L491-R493 PolarHBondContact O-N 3.46Å; R493-F495 VanDerWaalsContact C-N 3.33Å; R493-E496 PolarHBondContact O-N 3.18Å; R493-R497 WeakPolarHBondContact O-CB 3.22Å; R493-R497 PolarHBondContact O-N 2.82Å
494	L	84.8	Confident	76.8	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-40.4	176.9	-70.2	173.2	0	0	0	111.2	F405 E406 V409 F449 C490 L491 R497 A498	F405-L494 HydrophobicContact CE1-CD1 3.78Å; F405-L494 HydrophobicContact CZ-CD1 4.17Å; E406-L494 HydrophobicContact CG-CD2 4.06Å; E406-L494 HydrophobicContact CG-CG 4.37Å; V409-L494 HydrophobicContact CB-CD1 4.18Å; V409-L494 HydrophobicContact CB-CD2 3.91Å; V409-L494 HydrophobicContact CG1-CD1 3.99Å; V409-L494 HydrophobicContact CG1-CD2 3.58Å; V409-L494 HydrophobicContact CG1-CG 4.28Å; V409-L494 HydrophobicContact CG2-CD1 4.36Å; F449-L494 HydrophobicContact CD1-CD1 4.28Å; F449-L494 HydrophobicContact CE1-CB 3.89Å; F449-L494 HydrophobicContact CE1-CD1 4.23Å; F449-L494 HydrophobicContact CZ-CB 4.42Å; C490-L494 WeakPolarHBondContact O-CB 3.18Å; C490-L494 VanDerWaalsContact O-CG 3.24Å; C490-L494 WeakPolarHBondContact O-CG 3.32Å; C490-L494 PolarHBondContact O-N 3.45Å; L491-L494 PolarHBondContact O-N 3.28Å; L494-R497 PolarHBondContact O-N 2.91Å; L494-A498 WeakPolarHBondContact O-CB 3.39Å; L494-A498 PolarHBondContact O-N 3.08Å
495	F	78.5	Confident	75.8	Confident	11 Å²	11	51.5 Å²	51.5	5%	0.048	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-43.7	174.3	-67.3	-47.9	0	0	0	112.7	F449 L491 P492 R493 R497 A498 S499 L505 I509 V512	F449-F495 HydrophobicContact CD2-CD1 4.24Å; F449-F495 AromaticContact CD2-CE1 3.43Å; F449-F495 HydrophobicContact CD2-CE1 3.43Å; F449-F495 VanDerWaalsContact CD2-CE1 3.43Å; F449-F495 HydrophobicContact CD2-CZ 4.08Å; F449-F495 AromaticContact CE2-CD1 3.65Å; F449-F495 HydrophobicContact CE2-CD1 3.65Å; F449-F495 AromaticContact CE2-CE1 3.28Å; F449-F495 HydrophobicContact CE2-CE1 3.28Å; F449-F495 HydrophobicContact CE2-CZ 4.32Å; F449-F495 HydrophobicContact CG-CE1 4.35Å; F449-F495 HydrophobicContact CZ-CD1 4.11Å; F449-F495 HydrophobicContact CZ-CE1 4.11Å; L491-F495 HydrophobicContact CB-CD2 4.2Å; L491-F495 HydrophobicContact CB-CE2 3.78Å; L491-F495 HydrophobicContact CB-CZ 4.5Å; L491-F495 HydrophobicContact CD2-CZ 4.46Å; L491-F495 WeakPolarHBondContact O-CB 3.36Å; L491-F495 WeakPolarHBondContact O-CD2 3.43Å; L491-F495 VanDerWaalsContact O-CG 3.26Å; L491-F495 WeakPolarHBondContact O-CG 3.49Å; L491-F495 PolarHBondContact O-N 3.08Å; P492-F495 PolarHBondContact O-N 3.11Å; R493-F495 VanDerWaalsContact C-N 3.33Å; F495-R497 VanDerWaalsContact C-N 3.26Å; F495-R497 PolarHBondContact O-N 2.9Å; F495-A498 PolarHBondContact O-N 3.38Å; F495-S499 PolarHBondContact O-N 3.24Å; F495-S499 PolarHBondContact O-OG 2.9Å; F495-L505 HydrophobicContact CD1-CD1 4.4Å; F495-L505 HydrophobicContact CD1-CD2 4.34Å; F495-L505 HydrophobicContact CE1-CD2 4.34Å; F495-I509 HydrophobicContact CD2-CB 4.47Å; F495-I509 HydrophobicContact CD2-CG1 3.99Å; F495-I509 HydrophobicContact CD2-CG2 4.04Å; F495-I509 HydrophobicContact CE2-CB 4.29Å; F495-I509 HydrophobicContact CE2-CG1 4.22Å; F495-I509 HydrophobicContact CE2-CG2 3.88Å; F495-I509 HydrophobicContact CG-CG1 4.16Å; F495-V512 HydrophobicContact CE1-CG1 4.47Å; F495-V512 HydrophobicContact CE1-CG2 4.5Å; F495-V512 HydrophobicContact CZ-CB 3.85Å; F495-V512 HydrophobicContact CZ-CG1 3.76Å; F495-V512 HydrophobicContact CZ-CG2 4.27Å
496	E	82	Confident	74.3	Confident	104 Å²	104	56.5 Å²	56.5	49%	0.486	27%	0.266	S	S	.	.	H	α-helix	trans	-61.7	-37.4	175.6	-167.4	-164.6	155.1	0	0	111.4	P492 R493 S499 K500	P492-E496 WeakPolarHBondContact O-CB 3.29Å; P492-E496 PolarHBondContact O-N 3.41Å; R493-E496 PolarHBondContact O-N 3.18Å; E496-S499 PolarHBondContact O-OG 3.49Å; E496-K500 WeakPolarHBondContact O-CG 3.28Å; E496-K500 PolarHBondContact O-N 2.91Å; E496-K500 VanDerWaalsContact O-N 3.16Å; E496-K500 VanDerWaalsContact OE1-CE 3.29Å; E496-K500 WeakPolarHBondContact OE1-CE 3.22Å; E496-K500 IonicContact OE1-NZ 2.67Å; E496-K500 PolarHBondContact OE1-NZ 3.04Å
497	R	81.1	Confident	72.8	Confident	108 Å²	108	64.3 Å²	64.3	41%	0.408	30%	0.302	S	S	.	.	H	α-helix	trans	-68.3	-43.4	173.8	-165.2	-175.9	177.1	139.7	-1.3	111.1	N410 Q413 R493 L494 F495 S499 K500 C501	N410-R497 VanDerWaalsContact CG-NH1 3.3Å; N410-R497 WeakPolarHBondContact OD1-CD 3.34Å; N410-R497 PolarHBondContact OD1-NE 2.89Å; N410-R497 PolarHBondContact OD1-NH1 3.39Å; Q413-R497 PolarHBondContact NE2-O 2.98Å; Q413-R497 VanDerWaalsContact NE2-O 3.11Å; R493-R497 WeakPolarHBondContact O-CB 3.22Å; R493-R497 PolarHBondContact O-N 2.82Å; L494-R497 PolarHBondContact O-N 2.91Å; F495-R497 VanDerWaalsContact C-N 3.26Å; F495-R497 PolarHBondContact O-N 2.9Å; R497-S499 VanDerWaalsContact C-N 3.29Å; R497-S499 PolarHBondContact O-N 2.91Å; R497-K500 PolarHBondContact O-N 2.91Å; R497-C501 WeakPolarHBondContact O-CB 2.93Å; R497-C501 PolarHBondContact O-N 2.56Å
498	A	74.4	Confident	71.6	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-38	178.9	0	0	0	0	0	112.2	Q413 L494 F495 C501 G502 V503 L505	Q413-A498 VanDerWaalsContact NE2-N 3.11Å; L494-A498 WeakPolarHBondContact O-CB 3.39Å; L494-A498 PolarHBondContact O-N 3.08Å; F495-A498 PolarHBondContact O-N 3.38Å; A498-C501 WeakPolarHBondContact O-CB 3.45Å; A498-C501 PolarHBondContact O-N 3.11Å; A498-G502 PolarHBondContact O-N 3.36Å; A498-V503 CarbonylContact C-O 3.58Å; A498-V503 WeakPolarHBondContact O-CB 3.47Å; A498-V503 PolarHBondContact O-N 3.4Å; A498-L505 HydrophobicContact CB-CD1 3.3Å
499	S	74	Confident	70.5	Confident	48 Å²	48	60.3 Å²	60.3	34%	0.336	29%	0.291	S	S	.	.	H	α-helix	trans	-66.6	-42.4	173.3	69.7	0	0	0	0	112.6	F495 E496 R497 C501 G502 V503	F495-S499 PolarHBondContact O-N 3.24Å; F495-S499 PolarHBondContact O-OG 2.9Å; E496-S499 PolarHBondContact O-OG 3.49Å; R497-S499 VanDerWaalsContact C-N 3.29Å; R497-S499 PolarHBondContact O-N 2.91Å; S499-C501 PolarHBondContact O-N 3.49Å; S499-G502 PolarHBondContact O-N 3.07Å; S499-V503 VanDerWaalsContact CA-O 3.3Å; S499-V503 WeakPolarHBondContact CA-O 3.46Å
500	K	73.2	Confident	69.2	Low	154 Å²	154	66.5 Å²	66.5	67%	0.67	32%	0.321	S	S	*	.	H	α-helix	trans	-62.2	-29.3	172.6	-71.4	173.3	-173	169.5	0	113	E496 R497 G502	E496-K500 WeakPolarHBondContact O-CG 3.28Å; E496-K500 PolarHBondContact O-N 2.91Å; E496-K500 VanDerWaalsContact O-N 3.16Å; E496-K500 VanDerWaalsContact OE1-CE 3.29Å; E496-K500 WeakPolarHBondContact OE1-CE 3.22Å; E496-K500 IonicContact OE1-NZ 2.67Å; E496-K500 PolarHBondContact OE1-NZ 3.04Å; R497-K500 PolarHBondContact O-N 2.91Å; K500-G502 PolarHBondContact O-N 3.28Å
501	C	65.3	Low	67.9	Low	33 Å²	33	70.8 Å²	70.8	22%	0.223	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	1.3	174.2	-85.6	0	0	0	0	113.8	Q413 N417 R497 A498 S499	Q413-C501 PolarHBondContact NE2-SG 3.15Å; N417-C501 WeakPolarHBondContact ND2-CA 3.4Å; N417-C501 WeakPolarHBondContact ND2-CB 3.14Å; N417-C501 PolarHBondContact ND2-O 3.33Å; N417-C501 PolarHBondContact ND2-SG 3.38Å; N417-C501 VanDerWaalsContact ND2-SG 3.4Å; R497-C501 WeakPolarHBondContact O-CB 2.93Å; R497-C501 PolarHBondContact O-N 2.56Å; A498-C501 WeakPolarHBondContact O-CB 3.45Å; A498-C501 PolarHBondContact O-N 3.11Å; S499-C501 PolarHBondContact O-N 3.49Å
502	G	62.8	Low	66.8	Low	32 Å²	32	70.8 Å²	70.8	33%	0.33	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	0.5	178.7	0	0	0	0	0	114.5	A498 S499 K500 W504	A498-G502 PolarHBondContact O-N 3.36Å; S499-G502 PolarHBondContact O-N 3.07Å; K500-G502 PolarHBondContact O-N 3.28Å; G502-W504 PolarHBondContact O-N 2.91Å
503	V	62.3	Low	65.7	Low	12 Å²	12	69.1 Å²	69.1	7%	0.073	33%	0.331	C	S	.	.			trans	-91.6	98.2	175	-166.1	0	0	0	0	109.2	L432 V441 L442 L445 A498 S499 L505	L432-V503 HydrophobicContact CD2-CG2 4.1Å; V441-V503 HydrophobicContact CG1-CG1 4.15Å; L442-V503 HydrophobicContact CD2-CG1 4.13Å; L445-V503 HydrophobicContact CD1-CB 4.13Å; L445-V503 HydrophobicContact CD1-CG1 3.57Å; L445-V503 HydrophobicContact CD1-CG2 4.22Å; A498-V503 CarbonylContact C-O 3.58Å; A498-V503 WeakPolarHBondContact O-CB 3.47Å; A498-V503 PolarHBondContact O-N 3.4Å; S499-V503 VanDerWaalsContact CA-O 3.3Å; S499-V503 WeakPolarHBondContact CA-O 3.46Å; V503-L505 VanDerWaalsContact C-N 3.28Å; V503-L505 HydrophobicContact CB-CD1 4.17Å; V503-L505 HydrophobicContact CG1-CD1 3.97Å; V503-L505 HydrophobicContact CG1-CG 4.15Å; V503-L505 PolarHBondContact O-N 3.01Å
504	W	54.7	Low	64.3	Low	160 Å²	160	65.9 Å²	65.9	61%	0.606	33%	0.326	S	S	*	.			trans	-71.8	78.3	-179.2	-61.8	92.2	0	0	0	111.8	R438 G502 I506	R438-W504 PolarHBondContact NH2-O 3.12Å; G502-W504 PolarHBondContact O-N 2.91Å; W504-I506 VanDerWaalsContact C-N 3.26Å; W504-I506 HydrophobicContact CE3-CD1 4.42Å; W504-I506 PolarHBondContact O-N 2.9Å
505	L	53	Low	63	Low	9 Å²	9	70.6 Å²	70.6	5%	0.047	34%	0.344	C	S	.	.			trans	-78.3	68.8	173.2	-70.3	125.3	0	0	0	110.8	L442 L445 F495 A498 V503 P508	L442-L505 HydrophobicContact CD2-CD2 3.72Å; L442-L505 HydrophobicContact CD2-CG 3.81Å; L445-L505 HydrophobicContact CD1-CD1 3.93Å; L445-L505 HydrophobicContact CD1-CD2 4.37Å; L445-L505 HydrophobicContact CD1-CG 4.5Å; F495-L505 HydrophobicContact CD1-CD1 4.4Å; F495-L505 HydrophobicContact CD1-CD2 4.34Å; F495-L505 HydrophobicContact CE1-CD2 4.34Å; A498-L505 HydrophobicContact CB-CD1 3.3Å; V503-L505 VanDerWaalsContact C-N 3.28Å; V503-L505 HydrophobicContact CB-CD1 4.17Å; V503-L505 HydrophobicContact CG1-CD1 3.97Å; V503-L505 HydrophobicContact CG1-CG 4.15Å; V503-L505 PolarHBondContact O-N 3.01Å; L505-P508 HydrophobicContact CD2-CB 4.29Å; L505-P508 HydrophobicContact CD2-CG 4.13Å
506	I	50.9	Low	61.8	Low	124 Å²	124	70.1 Å²	70.1	64%	0.636	34%	0.342	S	S	*	.	S	Bend	trans	-81	-35.7	176.1	-58.7	174.5	0	0	0	110.3	W504	W504-I506 VanDerWaalsContact C-N 3.26Å; W504-I506 HydrophobicContact CE3-CD1 4.42Å; W504-I506 PolarHBondContact O-N 2.9Å
507	E	52.8	Low	60.6	Low	166 Å²	166	66.9 Å²	66.9	78%	0.776	33%	0.331	S	S	*	.	S	Bend	trans	-100.6	-28.3	-170.1	-68.9	175.5	160.4	0	0	116.2	I509	E507-I509 PolarHBondContact O-N 3.49Å
508	P	52.2	Low	59.1	Low	13 Å²	13	63.3 Å²	63.3	8%	0.084	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-3	-176.2	-17.7	33.6	0	0	0	116.4	L442 L505 Q510 E511 V512	L442-P508 HydrophobicContact CB-CG 4.38Å; L442-P508 HydrophobicContact CD1-CG 3.99Å; L442-P508 HydrophobicContact CD2-CG 4.04Å; L442-P508 HydrophobicContact CG-CG 4.34Å; L505-P508 HydrophobicContact CD2-CB 4.29Å; L505-P508 HydrophobicContact CD2-CG 4.13Å; P508-Q510 VanDerWaalsContact C-N 3.31Å; P508-Q510 PolarHBondContact O-N 3.3Å; P508-E511 PolarHBondContact O-N 2.8Å; P508-V512 HydrophobicContact CB-CG2 4.37Å; P508-V512 WeakPolarHBondContact O-CB 3.48Å; P508-V512 VanDerWaalsContact O-CG2 3.31Å; P508-V512 WeakPolarHBondContact O-CG2 3.32Å; P508-V512 PolarHBondContact O-N 3.34Å
509	I	54.4	Low	57.7	Low	70 Å²	70	64.4 Å²	64.4	36%	0.359	33%	0.328	S	S	.	.	H	α-helix	trans	-58.3	-46.8	-175.8	-61.7	175.2	0	0	0	110.2	F495 E507 S513	F495-I509 HydrophobicContact CD2-CB 4.47Å; F495-I509 HydrophobicContact CD2-CG1 3.99Å; F495-I509 HydrophobicContact CD2-CG2 4.04Å; F495-I509 HydrophobicContact CE2-CB 4.29Å; F495-I509 HydrophobicContact CE2-CG1 4.22Å; F495-I509 HydrophobicContact CE2-CG2 3.88Å; F495-I509 HydrophobicContact CG-CG1 4.16Å; E507-I509 PolarHBondContact O-N 3.49Å; I509-S513 WeakPolarHBondContact O-CB 3.44Å; I509-S513 PolarHBondContact O-N 3.01Å; I509-S513 PolarHBondContact O-OG 3.04Å
510	Q	56.7	Low	56.2	Low	169 Å²	169	64.8 Å²	64.8	79%	0.79	32%	0.324	S	S	*	.	H	α-helix	trans	-66.4	-39.6	-179.4	-73.1	-177.2	-20.9	0	0	112.1	P508 S514	P508-Q510 VanDerWaalsContact C-N 3.31Å; P508-Q510 PolarHBondContact O-N 3.3Å; Q510-S514 WeakPolarHBondContact O-CB 3.21Å; Q510-S514 PolarHBondContact O-N 3.23Å; Q510-S514 PolarHBondContact O-OG 2.88Å
511	E	60.2	Low	54.8	Low	89 Å²	89	57.9 Å²	57.9	42%	0.416	30%	0.295	S	S	.	.	H	α-helix	trans	-67.8	-49.3	-179.5	-165.4	170.9	-177.2	0	0	111.5	P508 S513 S514 R515	P508-E511 PolarHBondContact O-N 2.8Å; E511-S513 PolarHBondContact O-N 2.82Å; E511-S514 PolarHBondContact O-N 3.12Å; E511-S514 VanDerWaalsContact O-N 3.14Å; E511-S514 PolarHBondContact O-OG 2.89Å; E511-R515 WeakPolarHBondContact O-CG 3.46Å; E511-R515 PolarHBondContact O-N 3.27Å; E511-R515 IonicContact OE1-CZ 3.77Å; E511-R515 IonicContact OE1-NE 3.83Å; E511-R515 IonicContact OE1-NH2 2.62Å; E511-R515 PolarHBondContact OE1-NH2 3.24Å
512	V	59.2	Low	53.8	Low	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-47.5	176.9	175.3	0	0	0	0	110.9	E446 F449 L491 F495 P508 S514 R515 L516	E446-V512 HydrophobicContact CB-CG2 3.94Å; E446-V512 HydrophobicContact CG-CG2 3.89Å; F449-V512 HydrophobicContact CB-CG1 3.58Å; F449-V512 HydrophobicContact CD2-CG1 4.22Å; F449-V512 HydrophobicContact CG-CG1 4.32Å; L491-V512 HydrophobicContact CD1-CG1 4.41Å; L491-V512 HydrophobicContact CD2-CG1 4.44Å; F495-V512 HydrophobicContact CE1-CG1 4.47Å; F495-V512 HydrophobicContact CE1-CG2 4.5Å; F495-V512 HydrophobicContact CZ-CB 3.85Å; F495-V512 HydrophobicContact CZ-CG1 3.76Å; F495-V512 HydrophobicContact CZ-CG2 4.27Å; P508-V512 HydrophobicContact CB-CG2 4.37Å; P508-V512 WeakPolarHBondContact O-CB 3.48Å; P508-V512 VanDerWaalsContact O-CG2 3.31Å; P508-V512 WeakPolarHBondContact O-CG2 3.32Å; P508-V512 PolarHBondContact O-N 3.34Å; V512-S514 VanDerWaalsContact C-N 3.28Å; V512-S514 PolarHBondContact O-N 3.16Å; V512-R515 PolarHBondContact O-N 3.09Å; V512-L516 HydrophobicContact CG1-CD1 3.77Å; V512-L516 WeakPolarHBondContact O-CB 3.36Å; V512-L516 PolarHBondContact O-N 2.84Å
513	S	59.3	Low	52.7	Low	30 Å²	30	56.7 Å²	56.7	21%	0.21	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-39.9	175.7	-70.8	0	0	0	0	111.4	L487 I509 E511 S517	L487-S513 WeakPolarHBondContact CD2-O 3.47Å; I509-S513 WeakPolarHBondContact O-CB 3.44Å; I509-S513 PolarHBondContact O-N 3.01Å; I509-S513 PolarHBondContact O-OG 3.04Å; E511-S513 PolarHBondContact O-N 2.82Å; S513-S517 WeakPolarHBondContact O-CA 3.39Å; S513-S517 VanDerWaalsContact O-CB 3.3Å; S513-S517 WeakPolarHBondContact O-CB 3.33Å; S513-S517 PolarHBondContact O-N 2.77Å; S513-S517 PolarHBondContact O-OG 3.27Å
514	S	58.4	Low	51.8	Low	50 Å²	50	59.7 Å²	59.7	35%	0.35	29%	0.292	S	S	.	.	H	α-helix	trans	-68	-35.6	177.7	77.1	0	0	0	0	113.3	Q510 E511 V512 S517 H520	Q510-S514 WeakPolarHBondContact O-CB 3.21Å; Q510-S514 PolarHBondContact O-N 3.23Å; Q510-S514 PolarHBondContact O-OG 2.88Å; E511-S514 PolarHBondContact O-N 3.12Å; E511-S514 VanDerWaalsContact O-N 3.14Å; E511-S514 PolarHBondContact O-OG 2.89Å; V512-S514 VanDerWaalsContact C-N 3.28Å; V512-S514 PolarHBondContact O-N 3.16Å; S514-S517 WeakPolarHBondContact O-CB 3.48Å; S514-H520 PolarHBondContact O-ND1 3.35Å
515	R	57.1	Low	51	Low	99 Å²	99	55 Å²	55	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-75.6	-32.7	178.5	-73.1	179.8	-179.4	-168.5	3.6	113	E446 E511 V512 H520	E446-R515 WeakPolarHBondContact OE1-CD 2.96Å; E446-R515 IonicContact OE1-CZ 3.59Å; E446-R515 IonicContact OE1-NE 3.68Å; E446-R515 PolarHBondContact OE1-NE 3.36Å; E446-R515 VanDerWaalsContact OE1-NE 3.12Å; E446-R515 IonicContact OE1-NH1 3.04Å; E446-R515 PolarHBondContact OE1-NH1 2.92Å; E446-R515 IonicContact OE1-NH2 2.72Å; E446-R515 IonicContact OE2-NH1 2.72Å; E446-R515 PolarHBondContact OE2-NH1 3.27Å; E511-R515 WeakPolarHBondContact O-CG 3.46Å; E511-R515 PolarHBondContact O-N 3.27Å; E511-R515 IonicContact OE1-CZ 3.77Å; E511-R515 IonicContact OE1-NE 3.83Å; E511-R515 IonicContact OE1-NH2 2.62Å; E511-R515 PolarHBondContact OE1-NH2 3.24Å; V512-R515 PolarHBondContact O-N 3.09Å; R515-H520 WeakPolarHBondContact O-CB 3.28Å
516	L	54.7	Low	50.5	Low	1 Å²	1	54.7 Å²	54.7	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-81.7	-23	172.5	-79.4	165	0	0	0	113	F449 F452 K453 C483 L487 L491 V512 I518	F449-L516 HydrophobicContact CB-CD1 4.35Å; F449-L516 WeakPolarHBondContact O-CD1 3.37Å; F452-L516 HydrophobicContact CB-CD2 4.22Å; K453-L516 HydrophobicContact CB-CD2 4.15Å; C483-L516 PolarHBondContact SG-O 3.16Å; L487-L516 HydrophobicContact CD2-CB 3.67Å; L491-L516 HydrophobicContact CD1-CB 4.48Å; L491-L516 HydrophobicContact CD1-CD1 3.42Å; L491-L516 VanDerWaalsContact CD1-CD1 3.42Å; L491-L516 HydrophobicContact CD2-CD1 3.73Å; L491-L516 HydrophobicContact CG-CD1 4.06Å; V512-L516 HydrophobicContact CG1-CD1 3.77Å; V512-L516 WeakPolarHBondContact O-CB 3.36Å; V512-L516 PolarHBondContact O-N 2.84Å; L516-I518 PolarHBondContact O-N 2.75Å
517	S	55.6	Low	49.9	Very low	36 Å²	36	50.7 Å²	50.7	25%	0.252	26%	0.264	S	S	.	.	S	Bend	trans	-53.8	133.5	177.5	-73.6	0	0	0	0	109.7	S513 S514 S519 H520 S521	S513-S517 WeakPolarHBondContact O-CA 3.39Å; S513-S517 VanDerWaalsContact O-CB 3.3Å; S513-S517 WeakPolarHBondContact O-CB 3.33Å; S513-S517 PolarHBondContact O-N 2.77Å; S513-S517 PolarHBondContact O-OG 3.27Å; S514-S517 WeakPolarHBondContact O-CB 3.48Å; S517-S519 PolarHBondContact O-N 3.11Å; S517-H520 WeakPolarHBondContact O-CA 3.08Å; S517-H520 WeakPolarHBondContact O-CB 3.32Å; S517-H520 PolarHBondContact O-N 3.04Å; S517-S521 PolarHBondContact O-N 3.19Å
518	I	49.5	Very low	49.2	Very low	33 Å²	33	52.2 Å²	52.2	17%	0.169	27%	0.268	C	S	.	.	H	α-helix	trans	-55.8	-21.7	-179.8	-56.5	168.2	0	0	0	111.6	V480 C483 L516 H520 S521 F522	V480-I518 HydrophobicContact CB-CD1 4Å; V480-I518 HydrophobicContact CG1-CD1 3.72Å; V480-I518 HydrophobicContact CG2-CD1 4.08Å; C483-I518 HydrophobicContact CB-CD1 3.75Å; C483-I518 HydrophobicContact CB-CG1 3.57Å; C483-I518 WeakPolarHBondContact SG-CG1 3.25Å; L516-I518 PolarHBondContact O-N 2.75Å; I518-H520 PolarHBondContact O-N 3.42Å; I518-S521 CarbonylContact O-C 3.04Å; I518-S521 WeakPolarHBondContact O-CA 3.47Å; I518-S521 PolarHBondContact O-N 3.03Å; I518-F522 HydrophobicContact CB-CD2 4.48Å; I518-F522 HydrophobicContact CB-CE2 4.48Å; I518-F522 HydrophobicContact CG2-CD2 3.31Å; I518-F522 HydrophobicContact CG2-CE2 3.13Å; I518-F522 HydrophobicContact CG2-CG 4.37Å; I518-F522 HydrophobicContact CG2-CZ 4.12Å; I518-F522 WeakPolarHBondContact O-CD2 3.28Å; I518-F522 PolarHBondContact O-N 2.78Å
519	S	44.9	Very low	48.8	Very low	25 Å²	25	56.6 Å²	56.6	18%	0.175	29%	0.287	C	S	.	.	H	α-helix	trans	-47.6	-44.4	166.5	-179.4	0	0	0	0	112	S517 T523	S517-S519 PolarHBondContact O-N 3.11Å; S519-T523 PolarHBondContact O-N 2.83Å; S519-T523 VanDerWaalsContact O-N 3.17Å
520	H	42.6	Very low	48.1	Very low	56 Å²	56	58.8 Å²	58.8	26%	0.259	30%	0.299	S	S	.	.	H	α-helix	trans	-75	-34.5	171.2	-89.7	99.6	0	0	0	113.3	S514 R515 S517 I518 F522 T523	S514-H520 PolarHBondContact O-ND1 3.35Å; R515-H520 WeakPolarHBondContact O-CB 3.28Å; S517-H520 WeakPolarHBondContact O-CA 3.08Å; S517-H520 WeakPolarHBondContact O-CB 3.32Å; S517-H520 PolarHBondContact O-N 3.04Å; I518-H520 PolarHBondContact O-N 3.42Å; H520-F522 PolarHBondContact O-N 2.93Å; H520-T523 WeakPolarHBondContact O-CB 3.37Å; H520-T523 PolarHBondContact O-N 3.46Å; H520-T523 PolarHBondContact O-OG1 3.39Å
521	S	43.8	Very low	47.3	Very low	9 Å²	9	57.9 Å²	57.9	6%	0.063	30%	0.3	C	S	.	.	H	α-helix	trans	-64.5	-28.8	172.5	-56.9	0	0	0	0	112.4	S517 I518 F524	S517-S521 PolarHBondContact O-N 3.19Å; I518-S521 CarbonylContact O-C 3.04Å; I518-S521 WeakPolarHBondContact O-CA 3.47Å; I518-S521 PolarHBondContact O-N 3.03Å; S521-F524 WeakPolarHBondContact O-CB 3.32Å; S521-F524 PolarHBondContact O-N 3.34Å
522	F	44	Very low	46.4	Very low	11 Å²	11	59.9 Å²	59.9	5%	0.048	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-10.4	170.6	-74.5	-69.1	0	0	0	112.8	L476 I518 H520 F524 F525 V565 V569	L476-F522 HydrophobicContact CD1-CE1 4.43Å; L476-F522 HydrophobicContact CD1-CZ 4.23Å; I518-F522 HydrophobicContact CB-CD2 4.48Å; I518-F522 HydrophobicContact CB-CE2 4.48Å; I518-F522 HydrophobicContact CG2-CD2 3.31Å; I518-F522 HydrophobicContact CG2-CE2 3.13Å; I518-F522 HydrophobicContact CG2-CG 4.37Å; I518-F522 HydrophobicContact CG2-CZ 4.12Å; I518-F522 WeakPolarHBondContact O-CD2 3.28Å; I518-F522 PolarHBondContact O-N 2.78Å; H520-F522 PolarHBondContact O-N 2.93Å; F522-F524 PolarHBondContact O-N 3.46Å; F522-F525 HydrophobicContact CB-CD2 4.43Å; F522-F525 AromaticContact CD1-CD2 3.42Å; F522-F525 HydrophobicContact CD1-CD2 3.42Å; F522-F525 VanDerWaalsContact CD1-CD2 3.42Å; F522-F525 AromaticContact CD1-CE2 3.37Å; F522-F525 HydrophobicContact CD1-CE2 3.37Å; F522-F525 HydrophobicContact CD1-CG 4.5Å; F522-F525 HydrophobicContact CD1-CZ 4.44Å; F522-F525 HydrophobicContact CE1-CD2 4.16Å; F522-F525 AromaticContact CE1-CE2 3.62Å; F522-F525 HydrophobicContact CE1-CE2 3.62Å; F522-F525 HydrophobicContact CE1-CZ 4.41Å; F522-F525 HydrophobicContact CG-CD2 4.38Å; F522-F525 WeakPolarHBondContact O-CB 3.1Å; F522-F525 PolarHBondContact O-N 3.3Å; F522-V565 HydrophobicContact CD1-CG1 4.21Å; F522-V565 HydrophobicContact CD2-CG1 3.49Å; F522-V565 VanDerWaalsContact CD2-CG1 3.49Å; F522-V565 HydrophobicContact CD2-CG2 4.34Å; F522-V565 HydrophobicContact CE1-CG1 4.26Å; F522-V565 HydrophobicContact CE2-CB 4.22Å; F522-V565 HydrophobicContact CE2-CG1 3.51Å; F522-V565 HydrophobicContact CE2-CG2 3.59Å; F522-V565 HydrophobicContact CG-CG1 3.92Å; F522-V565 HydrophobicContact CZ-CG1 3.96Å; F522-V565 HydrophobicContact CZ-CG2 3.99Å; F522-V569 HydrophobicContact CB-CG2 4.46Å
523	T	40.6	Very low	45.7	Very low	29 Å²	29	66.1 Å²	66.1	18%	0.178	35%	0.351	C	S	.	.	H	α-helix	trans	-59.4	-16.5	163	69	0	0	0	0	111.9	S519 H520 F525 I526 G527	S519-T523 PolarHBondContact O-N 2.83Å; S519-T523 VanDerWaalsContact O-N 3.17Å; H520-T523 WeakPolarHBondContact O-CB 3.37Å; H520-T523 PolarHBondContact O-N 3.46Å; H520-T523 PolarHBondContact O-OG1 3.39Å; T523-F525 VanDerWaalsContact C-N 3.29Å; T523-F525 PolarHBondContact O-N 2.87Å; T523-I526 HydrophobicContact CG2-CD1 3.99Å; T523-I526 WeakPolarHBondContact O-CA 3.24Å; T523-I526 VanDerWaalsContact O-CB 3.26Å; T523-I526 WeakPolarHBondContact O-CB 3.44Å; T523-I526 PolarHBondContact O-N 3.41Å; T523-G527 PolarHBondContact O-N 2.85Å
524	F	42.6	Very low	45.3	Very low	75 Å²	75	68.2 Å²	68.2	33%	0.329	36%	0.356	S	S	.	.	H	α-helix	trans	-52.7	-43.8	164.2	-174.4	-91.7	0	0	0	113.1	F462 S521 F522 I526	F462-F524 HydrophobicContact CB-CE1 4.05Å; F462-F524 HydrophobicContact CB-CE2 3.69Å; F462-F524 HydrophobicContact CB-CZ 3.48Å; F462-F524 VanDerWaalsContact CB-CZ 3.48Å; F462-F524 HydrophobicContact CD1-CE1 4.27Å; F462-F524 AromaticContact CD1-CE2 3.62Å; F462-F524 HydrophobicContact CD1-CE2 3.62Å; F462-F524 AromaticContact CD1-CZ 3.21Å; F462-F524 HydrophobicContact CD1-CZ 3.21Å; F462-F524 HydrophobicContact CD2-CD1 4.47Å; F462-F524 AromaticContact CD2-CE1 3.19Å; F462-F524 HydrophobicContact CD2-CE1 3.19Å; F462-F524 HydrophobicContact CD2-CE2 4.05Å; F462-F524 AromaticContact CD2-CZ 2.99Å; F462-F524 HydrophobicContact CD2-CZ 2.99Å; F462-F524 HydrophobicContact CE1-CE2 4.17Å; F462-F524 AromaticContact CE1-CZ 3.51Å; F462-F524 HydrophobicContact CE1-CZ 3.51Å; F462-F524 AromaticContact CE2-CE1 3.49Å; F462-F524 HydrophobicContact CE2-CE1 3.49Å; F462-F524 VanDerWaalsContact CE2-CE1 3.49Å; F462-F524 AromaticContact CE2-CZ 3.3Å; F462-F524 HydrophobicContact CE2-CZ 3.3Å; F462-F524 AromaticContact CG-CE1 3.6Å; F462-F524 HydrophobicContact CG-CE1 3.6Å; F462-F524 AromaticContact CG-CE2 3.53Å; F462-F524 HydrophobicContact CG-CE2 3.53Å; F462-F524 AromaticContact CG-CZ 2.9Å; F462-F524 HydrophobicContact CG-CZ 2.9Å; F462-F524 HydrophobicContact CZ-CE1 4.14Å; F462-F524 AromaticContact CZ-CZ 3.54Å; F462-F524 HydrophobicContact CZ-CZ 3.54Å; S521-F524 WeakPolarHBondContact O-CB 3.32Å; S521-F524 PolarHBondContact O-N 3.34Å; F522-F524 PolarHBondContact O-N 3.46Å; F524-I526 PolarHBondContact O-N 3.39Å
525	F	39.5	Very low	45	Very low	62 Å²	62	68.6 Å²	68.6	27%	0.272	36%	0.359	S	S	.	.	H	α-helix	trans	-73.2	-14	173.1	-68.9	-97.5	0	0	0	112.8	F522 T523 V550 E553	F522-F525 HydrophobicContact CB-CD2 4.43Å; F522-F525 AromaticContact CD1-CD2 3.42Å; F522-F525 HydrophobicContact CD1-CD2 3.42Å; F522-F525 VanDerWaalsContact CD1-CD2 3.42Å; F522-F525 AromaticContact CD1-CE2 3.37Å; F522-F525 HydrophobicContact CD1-CE2 3.37Å; F522-F525 HydrophobicContact CD1-CG 4.5Å; F522-F525 HydrophobicContact CD1-CZ 4.44Å; F522-F525 HydrophobicContact CE1-CD2 4.16Å; F522-F525 AromaticContact CE1-CE2 3.62Å; F522-F525 HydrophobicContact CE1-CE2 3.62Å; F522-F525 HydrophobicContact CE1-CZ 4.41Å; F522-F525 HydrophobicContact CG-CD2 4.38Å; F522-F525 WeakPolarHBondContact O-CB 3.1Å; F522-F525 PolarHBondContact O-N 3.3Å; T523-F525 VanDerWaalsContact C-N 3.29Å; T523-F525 PolarHBondContact O-N 2.87Å; F525-V550 HydrophobicContact CB-CB 4.42Å; F525-V550 HydrophobicContact CB-CG1 4.18Å; F525-V550 HydrophobicContact CB-CG2 3.72Å; F525-E553 HydrophobicContact CD1-CB 4.06Å; F525-E553 HydrophobicContact CD1-CG 4.46Å; F525-E553 HydrophobicContact CE1-CB 3.96Å
526	I	41.8	Very low	44.8	Very low	1 Å²	1	64.2 Å²	64.2	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-84.5	-12.1	-174.5	-65.7	-176.3	0	0	0	112.5	T523 F524 R546 V550 V569 Y573	T523-I526 HydrophobicContact CG2-CD1 3.99Å; T523-I526 WeakPolarHBondContact O-CA 3.24Å; T523-I526 VanDerWaalsContact O-CB 3.26Å; T523-I526 WeakPolarHBondContact O-CB 3.44Å; T523-I526 PolarHBondContact O-N 3.41Å; F524-I526 PolarHBondContact O-N 3.39Å; I526-R546 WeakPolarHBondContact O-CD 3.16Å; I526-R546 PolarHBondContact O-NH1 2.81Å; I526-V550 HydrophobicContact CG1-CG2 4.23Å; I526-V569 HydrophobicContact CD1-CG1 4.36Å; I526-Y573 VanDerWaalsContact CA-OH 3.28Å; I526-Y573 WeakPolarHBondContact CA-OH 2.86Å; I526-Y573 HydrophobicContact CB-CE2 4.25Å; I526-Y573 WeakPolarHBondContact CB-OH 3.43Å; I526-Y573 HydrophobicContact CD1-CD2 3.89Å; I526-Y573 HydrophobicContact CD1-CE2 3.35Å; I526-Y573 HydrophobicContact CG1-CD2 4.46Å; I526-Y573 HydrophobicContact CG1-CE2 3.46Å; I526-Y573 VanDerWaalsContact CG1-CE2 3.46Å; I526-Y573 VanDerWaalsContact CG1-OH 3.23Å; I526-Y573 WeakPolarHBondContact CG1-OH 3.49Å; I526-Y573 HydrophobicContact CG2-CE1 3.73Å; I526-Y573 HydrophobicContact CG2-CE2 4.16Å; I526-Y573 VanDerWaalsContact CG2-CZ 3.41Å; I526-Y573 WeakPolarHBondContact CG2-OH 3.26Å; I526-Y573 PolarHBondContact O-OH 3.34Å
527	G	37.4	Very low	44.8	Very low	41 Å²	41	65.1 Å²	65.1	42%	0.423	35%	0.35	S	S	.	.			trans	69	152	173.5	0	0	0	0	0	114.5	T523 R546	T523-G527 PolarHBondContact O-N 2.85Å; G527-R546 PolarHBondContact O-NH1 3.31Å
528	K	39.1	Very low	44.8	Very low	198 Å²	198	65.8 Å²	65.8	86%	0.861	35%	0.353	S	S	*	.			trans	-61	151.5	175.2	-109	-177.7	173.8	-178.4	0	111.6	R546	K528-R546 PolarHBondContact O-NH1 3.43Å; K528-R546 PolarHBondContact O-NH2 3.4Å
529	E	43.8	Very low	45.2	Very low	104 Å²	104	66.1 Å²	66.1	49%	0.486	35%	0.352	S	S	.	.			trans	-68.8	131.5	169.9	-74.2	174.7	150.2	0	0	109.3
530	D	39	Very low	45.8	Very low	116 Å²	116	65.2 Å²	65.2	62%	0.62	35%	0.345	S	S	*	.			trans	-82.2	115.5	156.2	-82.2	-35.9	0	0	0	105.6	D532	D530-D532 PolarHBondContact O-N 2.91Å
531	D	41.3	Very low	46.5	Very low	150 Å²	150	66.4 Å²	66.4	80%	0.802	35%	0.35	S	S	*	.			trans	-65.1	-0.4	177.1	-86	-38.6	0	0	0	113.4	V533	D531-V533 PolarHBondContact O-N 2.98Å
532	D	40.3	Very low	47.1	Very low	132 Å²	132	68 Å²	68	71%	0.706	36%	0.358	S	S	*	.	S	Bend	trans	-66.6	119.9	176.7	-86.4	-23.3	0	0	0	109.9	D530 K534	D530-D532 PolarHBondContact O-N 2.91Å; D532-K534 PolarHBondContact O-N 3.48Å
533	V	44.4	Very low	47.9	Very low	130 Å²	130	67.8 Å²	67.8	79%	0.788	36%	0.357	S	S	*	.			trans	-57.9	80.2	-177	-175	0	0	0	0	110.5	D531	D531-V533 PolarHBondContact O-N 2.98Å
534	K	50.2	Low	48.8	Very low	74 Å²	74	67.5 Å²	67.5	32%	0.322	35%	0.354	S	S	.	.			trans	-75.6	139.7	170	-80.1	-178.8	-166.8	-176.2	0	107.4	D532 T538 D542	D532-K534 PolarHBondContact O-N 3.48Å; K534-T538 VanDerWaalsContact CB-OG1 3.32Å; K534-T538 WeakPolarHBondContact CB-OG1 3.36Å; K534-D542 WeakPolarHBondContact CD-OD2 3.3Å; K534-D542 IonicContact NZ-OD1 3.4Å; K534-D542 IonicContact NZ-OD2 3.12Å; K534-D542 PolarHBondContact NZ-OD2 2.86Å
535	S	52.4	Low	49.4	Very low	59 Å²	59	67.9 Å²	67.9	41%	0.413	36%	0.359	S	S	.	.			trans	-50.1	149.8	165.4	75.8	0	0	0	0	109.3	S537 T538 Y539	S535-S537 PolarHBondContact O-N 3.39Å; S535-T538 WeakPolarHBondContact CA-OG1 3.1Å; S535-T538 PolarHBondContact N-OG1 3.06Å; S535-T538 WeakPolarHBondContact O-CA 3.02Å; S535-T538 PolarHBondContact O-N 2.98Å; S535-T538 PolarHBondContact O-OG1 2.64Å; S535-T538 PolarHBondContact OG-N 2.85Å; S535-T538 PolarHBondContact OG-OG1 3.08Å; S535-Y539 PolarHBondContact O-N 2.96Å; S535-Y539 VanDerWaalsContact O-N 3.08Å
536	V	53.8	Low	50.3	Low	7 Å²	7	67.9 Å²	67.9	4%	0.042	36%	0.357	C	S	.	.	H	α-helix	trans	-55.7	-31.3	-178.6	179.5	0	0	0	0	111.7	T538 Y539 I540 R584 M588 V596	V536-T538 PolarHBondContact O-N 2.96Å; V536-Y539 PolarHBondContact O-N 2.99Å; V536-I540 HydrophobicContact CG1-CD1 3.8Å; V536-I540 HydrophobicContact CG1-CG1 4.26Å; V536-I540 VanDerWaalsContact O-CG1 3.26Å; V536-I540 WeakPolarHBondContact O-CG1 3.44Å; V536-I540 PolarHBondContact O-N 3.45Å; V536-R584 HydrophobicContact CG2-CB 4.39Å; V536-M588 HydrophobicContact CB-CE 3.67Å; V536-M588 HydrophobicContact CG1-CE 3.32Å; V536-M588 HydrophobicContact CG2-CE 3.52Å; V536-V596 HydrophobicContact CG1-CG2 4.13Å
537	S	53.1	Low	51.1	Low	19 Å²	19	68.6 Å²	68.6	13%	0.133	36%	0.362	C	S	.	.	H	α-helix	trans	-56.3	-49.3	171.2	-165.5	0	0	0	0	113.3	S535 I540 K541 Q595	S535-S537 PolarHBondContact O-N 3.39Å; S537-I540 PolarHBondContact O-N 3.43Å; S537-K541 WeakPolarHBondContact O-CB 3.42Å; S537-K541 WeakPolarHBondContact O-CG 3.28Å; S537-K541 PolarHBondContact O-N 3.43Å; S537-Q595 PolarHBondContact OG-OE1 2.9Å
538	T	57	Low	51.9	Low	51 Å²	51	68 Å²	68	31%	0.313	35%	0.35	S	S	.	.	H	α-helix	trans	-68.4	-35	180	25.1	0	0	0	0	111.9	K534 S535 V536 K541 D542	K534-T538 VanDerWaalsContact CB-OG1 3.32Å; K534-T538 WeakPolarHBondContact CB-OG1 3.36Å; S535-T538 WeakPolarHBondContact CA-OG1 3.1Å; S535-T538 PolarHBondContact N-OG1 3.06Å; S535-T538 WeakPolarHBondContact O-CA 3.02Å; S535-T538 PolarHBondContact O-N 2.98Å; S535-T538 PolarHBondContact O-OG1 2.64Å; S535-T538 PolarHBondContact OG-N 2.85Å; S535-T538 PolarHBondContact OG-OG1 3.08Å; V536-T538 PolarHBondContact O-N 2.96Å; T538-K541 PolarHBondContact O-N 2.79Å; T538-D542 WeakPolarHBondContact O-CB 3.48Å; T538-D542 PolarHBondContact O-N 3.19Å
539	Y	57.7	Low	52.5	Low	39 Å²	39	61 Å²	61	15%	0.153	33%	0.329	C	S	.	.	H	α-helix	trans	-64.1	-45.6	173	-178.1	-99.1	0	0	0	111.8	S535 V536 K541 D542 C543 I577 H580	S535-Y539 PolarHBondContact O-N 2.96Å; S535-Y539 VanDerWaalsContact O-N 3.08Å; V536-Y539 PolarHBondContact O-N 2.99Å; Y539-K541 PolarHBondContact O-N 3.3Å; Y539-D542 PolarHBondContact O-N 3.37Å; Y539-C543 PolarHBondContact O-N 3.47Å; Y539-C543 PolarHBondContact O-SG 2.93Å; Y539-I577 HydrophobicContact CE1-CG1 4.32Å; Y539-H580 HydrophobicContact CD1-CB 4.35Å; Y539-H580 AromaticContact CD1-CD2 3.82Å; Y539-H580 AromaticContact CD1-CG 3.96Å; Y539-H580 HydrophobicContact CE1-CB 3.86Å; Y539-H580 AromaticContact CE1-CG 3.82Å
540	I	58	Low	53	Low	7 Å²	7	56.2 Å²	56.2	4%	0.036	31%	0.307	C	S	.	.	H	α-helix	trans	-62.5	-44.5	176.8	-67.6	167.2	0	0	0	110.7	V536 S537 D542 C543 I544 I577 V596	V536-I540 HydrophobicContact CG1-CD1 3.8Å; V536-I540 HydrophobicContact CG1-CG1 4.26Å; V536-I540 VanDerWaalsContact O-CG1 3.26Å; V536-I540 WeakPolarHBondContact O-CG1 3.44Å; V536-I540 PolarHBondContact O-N 3.45Å; S537-I540 PolarHBondContact O-N 3.43Å; I540-D542 PolarHBondContact O-N 2.87Å; I540-C543 WeakPolarHBondContact O-CB 3.43Å; I540-C543 PolarHBondContact O-N 2.98Å; I540-I544 HydrophobicContact CG2-CD1 3.91Å; I540-I544 HydrophobicContact CG2-CG1 4.46Å; I540-I544 WeakPolarHBondContact O-CG1 3.23Å; I540-I544 PolarHBondContact O-N 3.35Å; I540-I577 HydrophobicContact CD1-CG2 4.24Å; I540-I577 HydrophobicContact CG1-CG2 3.85Å; I540-V596 HydrophobicContact CD1-CB 4.34Å; I540-V596 HydrophobicContact CD1-CG2 3.99Å
541	K	55.7	Low	53.9	Low	81 Å²	81	51.3 Å²	51.3	35%	0.352	28%	0.28	S	S	.	.	H	α-helix	trans	-59.1	-46.5	175.7	-76.7	177.6	176.2	-173.4	0	112.2	S537 T538 Y539 C543 I544 L545	S537-K541 WeakPolarHBondContact O-CB 3.42Å; S537-K541 WeakPolarHBondContact O-CG 3.28Å; S537-K541 PolarHBondContact O-N 3.43Å; T538-K541 PolarHBondContact O-N 2.79Å; Y539-K541 PolarHBondContact O-N 3.3Å; K541-C543 VanDerWaalsContact C-N 3.3Å; K541-C543 PolarHBondContact O-N 3.23Å; K541-I544 PolarHBondContact O-N 3.43Å; K541-L545 WeakPolarHBondContact O-CB 3.41Å; K541-L545 WeakPolarHBondContact O-CG 3.35Å; K541-L545 PolarHBondContact O-N 3.39Å
542	D	58.4	Low	54.3	Low	43 Å²	43	47 Å²	47	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-41.5	175.7	-83.9	3.9	0	0	0	111.3	K534 T538 Y539 I540 L545 R546	K534-D542 WeakPolarHBondContact CD-OD2 3.3Å; K534-D542 IonicContact NZ-OD1 3.4Å; K534-D542 IonicContact NZ-OD2 3.12Å; K534-D542 PolarHBondContact NZ-OD2 2.86Å; T538-D542 WeakPolarHBondContact O-CB 3.48Å; T538-D542 PolarHBondContact O-N 3.19Å; Y539-D542 PolarHBondContact O-N 3.37Å; I540-D542 PolarHBondContact O-N 2.87Å; D542-L545 PolarHBondContact O-N 3.27Å; D542-R546 WeakPolarHBondContact O-CB 3.39Å; D542-R546 WeakPolarHBondContact O-CG 3.19Å; D542-R546 PolarHBondContact O-N 2.83Å
543	C	60.7	Low	54.7	Low	5 Å²	5	45 Å²	45	3%	0.034	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-47	176.3	-69.4	0	0	0	0	111.9	Y539 I540 K541 R546 V547 Y573 I577	Y539-C543 PolarHBondContact O-N 3.47Å; Y539-C543 PolarHBondContact O-SG 2.93Å; I540-C543 WeakPolarHBondContact O-CB 3.43Å; I540-C543 PolarHBondContact O-N 2.98Å; K541-C543 VanDerWaalsContact C-N 3.3Å; K541-C543 PolarHBondContact O-N 3.23Å; C543-R546 PolarHBondContact O-N 2.97Å; C543-V547 WeakPolarHBondContact O-CG2 3.18Å; C543-V547 PolarHBondContact O-N 3.35Å; C543-Y573 HydrophobicContact CB-CD1 3.65Å; C543-Y573 HydrophobicContact CB-CE1 4.04Å; C543-I577 HydrophobicContact CB-CD1 3.81Å; C543-I577 HydrophobicContact CB-CG1 4.13Å
544	I	59.4	Low	55.1	Low	23 Å²	23	39 Å²	39	12%	0.118	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-46.7	178.1	-67	170	0	0	0	110.6	I540 K541 R546 V547 V548	I540-I544 HydrophobicContact CG2-CD1 3.91Å; I540-I544 HydrophobicContact CG2-CG1 4.46Å; I540-I544 WeakPolarHBondContact O-CG1 3.23Å; I540-I544 PolarHBondContact O-N 3.35Å; K541-I544 PolarHBondContact O-N 3.43Å; I544-R546 VanDerWaalsContact C-N 3.25Å; I544-R546 PolarHBondContact O-N 3.21Å; I544-V547 WeakPolarHBondContact O-CB 3.49Å; I544-V547 PolarHBondContact O-N 2.89Å; I544-V547 VanDerWaalsContact O-N 3.14Å; I544-V548 WeakPolarHBondContact O-CG2 3.35Å; I544-V548 PolarHBondContact O-N 3.46Å
545	L	54.4	Low	55.4	Low	83 Å²	83	37.8 Å²	37.8	44%	0.435	21%	0.21	S	C	.	.	H	α-helix	trans	-60.2	-37	177.5	-73.7	172.7	0	0	0	112	K541 D542 V548 A549 L643	K541-L545 WeakPolarHBondContact O-CB 3.41Å; K541-L545 WeakPolarHBondContact O-CG 3.35Å; K541-L545 PolarHBondContact O-N 3.39Å; D542-L545 PolarHBondContact O-N 3.27Å; L545-V548 PolarHBondContact O-N 2.95Å; L545-A549 WeakPolarHBondContact O-CB 3.23Å; L545-A549 PolarHBondContact O-N 2.82Å; L545-L643 HydrophobicContact CD2-CD1 4.09Å; L545-L643 HydrophobicContact CD2-CD2 3.91Å
546	R	57.5	Low	55	Low	62 Å²	62	41.4 Å²	41.4	23%	0.234	22%	0.224	C	C	.	.	H	α-helix	trans	-71.3	-36.4	175.4	-66.7	166.9	178.2	-151.6	5.9	112.5	I526 G527 K528 D542 C543 I544 V548 A549 V550 Y573	I526-R546 WeakPolarHBondContact O-CD 3.16Å; I526-R546 PolarHBondContact O-NH1 2.81Å; G527-R546 PolarHBondContact O-NH1 3.31Å; K528-R546 PolarHBondContact O-NH1 3.43Å; K528-R546 PolarHBondContact O-NH2 3.4Å; D542-R546 WeakPolarHBondContact O-CB 3.39Å; D542-R546 WeakPolarHBondContact O-CG 3.19Å; D542-R546 PolarHBondContact O-N 2.83Å; C543-R546 PolarHBondContact O-N 2.97Å; I544-R546 VanDerWaalsContact C-N 3.25Å; I544-R546 PolarHBondContact O-N 3.21Å; R546-V548 VanDerWaalsContact C-N 3.32Å; R546-V548 PolarHBondContact O-N 3.23Å; R546-A549 PolarHBondContact O-N 3.23Å; R546-V550 WeakPolarHBondContact O-CG2 3.49Å; R546-V550 PolarHBondContact O-N 2.78Å; R546-Y573 HydrophobicContact CB-CE1 4.24Å; R546-Y573 WeakPolarHBondContact CB-OH 3.44Å
547	V	59.8	Low	54.6	Low	16 Å²	16	42.7 Å²	42.7	10%	0.097	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-46.3	170.4	171.1	0	0	0	0	110.7	C543 I544 A549 V550 Q551 V569 V570 Y573	C543-V547 WeakPolarHBondContact O-CG2 3.18Å; C543-V547 PolarHBondContact O-N 3.35Å; I544-V547 WeakPolarHBondContact O-CB 3.49Å; I544-V547 PolarHBondContact O-N 2.89Å; I544-V547 VanDerWaalsContact O-N 3.14Å; V547-A549 VanDerWaalsContact C-N 3.31Å; V547-A549 PolarHBondContact O-N 2.98Å; V547-V550 PolarHBondContact O-N 3.06Å; V547-Q551 WeakPolarHBondContact O-CB 3.46Å; V547-Q551 PolarHBondContact O-N 2.99Å; V547-V569 HydrophobicContact CG2-CG1 4.5Å; V547-V570 HydrophobicContact CG1-CG2 3.83Å; V547-Y573 HydrophobicContact CG2-CD2 3.22Å; V547-Y573 HydrophobicContact CG2-CE2 3.57Å; V547-Y573 HydrophobicContact CG2-CG 3.75Å
548	V	53.6	Low	54.4	Low	29 Å²	29	41.8 Å²	41.8	18%	0.176	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-41.3	177	175.4	0	0	0	0	110.8	I544 L545 R546 Q551 A552 L643 L647	I544-V548 WeakPolarHBondContact O-CG2 3.35Å; I544-V548 PolarHBondContact O-N 3.46Å; L545-V548 PolarHBondContact O-N 2.95Å; R546-V548 VanDerWaalsContact C-N 3.32Å; R546-V548 PolarHBondContact O-N 3.23Å; V548-Q551 WeakPolarHBondContact O-CB 3.27Å; V548-Q551 PolarHBondContact O-N 2.81Å; V548-A552 PolarHBondContact O-N 3.13Å; V548-L643 HydrophobicContact CG1-CD2 4.24Å; V548-L643 HydrophobicContact CG2-CD2 4.21Å; V548-L647 HydrophobicContact CG2-CD1 4.23Å; V548-L647 HydrophobicContact CG2-CD2 3.89Å; V548-L647 HydrophobicContact CG2-CG 4.17Å
549	A	51.8	Low	54.2	Low	51 Å²	51	42 Å²	42	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-64.4	-45.3	176.3	0	0	0	0	0	112.2	L545 R546 V547 Q551 A552 E553	L545-A549 WeakPolarHBondContact O-CB 3.23Å; L545-A549 PolarHBondContact O-N 2.82Å; R546-A549 PolarHBondContact O-N 3.23Å; V547-A549 VanDerWaalsContact C-N 3.31Å; V547-A549 PolarHBondContact O-N 2.98Å; A549-Q551 VanDerWaalsContact C-N 3.29Å; A549-Q551 PolarHBondContact O-N 2.87Å; A549-A552 PolarHBondContact O-N 2.83Å; A549-E553 WeakPolarHBondContact O-CG 3.38Å; A549-E553 PolarHBondContact O-N 2.99Å
550	V	55.2	Low	53.8	Low	3 Å²	3	45.6 Å²	45.6	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-59.4	-43.2	175.5	177.4	0	0	0	0	110.3	F525 I526 R546 V547 E553 L554 V569	F525-V550 HydrophobicContact CB-CB 4.42Å; F525-V550 HydrophobicContact CB-CG1 4.18Å; F525-V550 HydrophobicContact CB-CG2 3.72Å; I526-V550 HydrophobicContact CG1-CG2 4.23Å; R546-V550 WeakPolarHBondContact O-CG2 3.49Å; R546-V550 PolarHBondContact O-N 2.78Å; V547-V550 PolarHBondContact O-N 3.06Å; V550-E553 PolarHBondContact O-N 2.98Å; V550-L554 WeakPolarHBondContact O-CB 3.28Å; V550-L554 PolarHBondContact O-N 2.93Å; V550-V569 HydrophobicContact CB-CG1 4.16Å; V550-V569 HydrophobicContact CG1-CB 4.44Å; V550-V569 HydrophobicContact CG1-CG1 3.91Å; V550-V569 HydrophobicContact CG1-CG2 3.81Å; V550-V569 HydrophobicContact CG2-CG1 4.25Å
551	Q	56.7	Low	53.5	Low	14 Å²	14	46.1 Å²	46.1	7%	0.065	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-48.1	175.4	165.9	164.8	-14.7	0	0	111.8	V547 V548 A549 E553 L554 F555 Y562 I566	V547-Q551 WeakPolarHBondContact O-CB 3.46Å; V547-Q551 PolarHBondContact O-N 2.99Å; V548-Q551 WeakPolarHBondContact O-CB 3.27Å; V548-Q551 PolarHBondContact O-N 2.81Å; A549-Q551 VanDerWaalsContact C-N 3.29Å; A549-Q551 PolarHBondContact O-N 2.87Å; Q551-E553 VanDerWaalsContact C-N 3.35Å; Q551-E553 PolarHBondContact O-N 2.78Å; Q551-L554 PolarHBondContact O-N 2.81Å; Q551-F555 HydrophobicContact CG-CD2 3.72Å; Q551-F555 HydrophobicContact CG-CE2 3.83Å; Q551-F555 WeakPolarHBondContact O-CD2 3.44Å; Q551-F555 PolarHBondContact O-N 2.9Å; Q551-Y562 HydrophobicContact CB-CE2 4.27Å; Q551-Y562 HydrophobicContact CG-CE2 3.66Å; Q551-Y562 PolarHBondContact NE2-OH 3.28Å; Q551-Y562 PolarHBondContact OE1-OH 3.23Å; Q551-I566 HydrophobicContact CB-CD1 3.91Å
552	A	49.3	Very low	53.5	Low	58 Å²	58	43.3 Å²	43.3	48%	0.479	24%	0.244	S	C	.	.	H	α-helix	trans	-60.5	-44.4	179.5	0	0	0	0	0	111.9	V548 A549 L556	V548-A552 PolarHBondContact O-N 3.13Å; A549-A552 PolarHBondContact O-N 2.83Å; A552-L556 WeakPolarHBondContact O-CB 3.26Å; A552-L556 PolarHBondContact O-N 3.04Å
553	E	50.4	Low	53.3	Low	91 Å²	91	48.6 Å²	48.6	43%	0.425	27%	0.266	S	S	.	.	H	α-helix	trans	-65.6	-41.7	176	-71.2	-66.1	159.2	0	0	111.9	F525 A549 V550 Q551 F555 L556 V557	F525-E553 HydrophobicContact CD1-CB 4.06Å; F525-E553 HydrophobicContact CD1-CG 4.46Å; F525-E553 HydrophobicContact CE1-CB 3.96Å; A549-E553 WeakPolarHBondContact O-CG 3.38Å; A549-E553 PolarHBondContact O-N 2.99Å; V550-E553 PolarHBondContact O-N 2.98Å; Q551-E553 VanDerWaalsContact C-N 3.35Å; Q551-E553 PolarHBondContact O-N 2.78Å; E553-F555 PolarHBondContact O-N 3.44Å; E553-L556 PolarHBondContact O-N 3Å; E553-V557 WeakPolarHBondContact O-CB 3.46Å; E553-V557 VanDerWaalsContact O-CG2 3.28Å; E553-V557 WeakPolarHBondContact O-CG2 3.32Å; E553-V557 PolarHBondContact O-N 3.05Å
554	L	52.7	Low	52.9	Low	5 Å²	5	52.4 Å²	52.4	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-40.4	179.1	-171.9	65.6	0	0	0	111.7	V550 Q551 L556 C558 Y562 V565	V550-L554 WeakPolarHBondContact O-CB 3.28Å; V550-L554 PolarHBondContact O-N 2.93Å; Q551-L554 PolarHBondContact O-N 2.81Å; L554-L556 VanDerWaalsContact C-N 3.34Å; L554-C558 CarbonylContact O-C 3.53Å; L554-C558 WeakPolarHBondContact O-CA 3.35Å; L554-C558 PolarHBondContact O-N 3.19Å; L554-Y562 HydrophobicContact CD2-CD2 3.88Å; L554-Y562 HydrophobicContact CG-CD2 4.39Å; L554-V565 HydrophobicContact CD1-CB 4.26Å; L554-V565 HydrophobicContact CD1-CG1 4.19Å; L554-V565 HydrophobicContact CD2-CB 3.76Å; L554-V565 HydrophobicContact CD2-CG1 3.83Å
555	F	55.6	Low	52.7	Low	47 Å²	47	51.8 Å²	51.8	21%	0.206	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-35.7	172.4	-91.1	-69.4	0	0	0	112.7	Q551 E553 P559 Y562 V650	Q551-F555 HydrophobicContact CG-CD2 3.72Å; Q551-F555 HydrophobicContact CG-CE2 3.83Å; Q551-F555 WeakPolarHBondContact O-CD2 3.44Å; Q551-F555 PolarHBondContact O-N 2.9Å; E553-F555 PolarHBondContact O-N 3.44Å; F555-P559 HydrophobicContact CD1-CB 4.07Å; F555-Y562 AromaticContact CD2-CD2 3.72Å; F555-Y562 HydrophobicContact CD2-CD2 3.72Å; F555-Y562 AromaticContact CD2-CE2 3.79Å; F555-Y562 HydrophobicContact CD2-CE2 3.79Å; F555-Y562 HydrophobicContact CD2-CG 4.35Å; F555-Y562 HydrophobicContact CE1-CD1 4.21Å; F555-Y562 HydrophobicContact CE1-CD2 4.36Å; F555-Y562 HydrophobicContact CE1-CG 4.04Å; F555-Y562 AromaticContact CE2-CD1 3.97Å; F555-Y562 HydrophobicContact CE2-CD1 3.97Å; F555-Y562 AromaticContact CE2-CD2 3.36Å; F555-Y562 HydrophobicContact CE2-CD2 3.36Å; F555-Y562 AromaticContact CE2-CE1 3.78Å; F555-Y562 HydrophobicContact CE2-CE1 3.78Å; F555-Y562 AromaticContact CE2-CE2 3.19Å; F555-Y562 HydrophobicContact CE2-CE2 3.19Å; F555-Y562 AromaticContact CE2-CG 3.76Å; F555-Y562 HydrophobicContact CE2-CG 3.76Å; F555-Y562 AromaticContact CE2-CZ 3.38Å; F555-Y562 HydrophobicContact CG-CD2 4.37Å; F555-Y562 AromaticContact CZ-CD1 3.52Å; F555-Y562 HydrophobicContact CZ-CD1 3.52Å; F555-Y562 AromaticContact CZ-CD2 3.71Å; F555-Y562 HydrophobicContact CZ-CD2 3.71Å; F555-Y562 AromaticContact CZ-CE1 3.58Å; F555-Y562 HydrophobicContact CZ-CE1 3.58Å; F555-Y562 AromaticContact CZ-CE2 3.82Å; F555-Y562 HydrophobicContact CZ-CE2 3.82Å; F555-Y562 AromaticContact CZ-CG 3.57Å; F555-Y562 HydrophobicContact CZ-CG 3.57Å; F555-Y562 AromaticContact CZ-CZ 3.72Å; F555-V650 HydrophobicContact CD1-CG1 4.15Å; F555-V650 HydrophobicContact CE1-CB 4.44Å; F555-V650 HydrophobicContact CE1-CG1 3.86Å; F555-V650 HydrophobicContact CE2-CB 4.39Å; F555-V650 HydrophobicContact CZ-CB 4.14Å; F555-V650 HydrophobicContact CZ-CG1 4.07Å; F555-V650 VanDerWaalsContact CZ-O 3.26Å; F555-V650 WeakPolarHBondContact CZ-O 3.31Å
556	L	44.2	Very low	53	Low	135 Å²	135	48.7 Å²	48.7	71%	0.707	27%	0.271	S	S	*	.	H	α-helix	trans	-72.1	-38.8	178.6	-174.8	68.4	0	0	0	112.2	A552 E553 L554	A552-L556 WeakPolarHBondContact O-CB 3.26Å; A552-L556 PolarHBondContact O-N 3.04Å; E553-L556 PolarHBondContact O-N 3Å; L554-L556 VanDerWaalsContact C-N 3.34Å
557	V	44.8	Very low	53.1	Low	34 Å²	34	47.3 Å²	47.3	21%	0.206	28%	0.276	C	S	.	.	H	α-helix	trans	-95.2	-37.5	-171.2	178	0	0	0	0	112.7	E473 L476 E553	E473-V557 WeakPolarHBondContact CG-O 3.48Å; L476-V557 HydrophobicContact CD2-CG1 4.37Å; E553-V557 WeakPolarHBondContact O-CB 3.46Å; E553-V557 VanDerWaalsContact O-CG2 3.28Å; E553-V557 WeakPolarHBondContact O-CG2 3.32Å; E553-V557 PolarHBondContact O-N 3.05Å
558	C	49.5	Very low	52.9	Low	1 Å²	1	52 Å²	52	1%	0.007	30%	0.295	C	S	.	.			trans	-161.1	79.5	-178.1	-165.1	0	0	0	0	112.7	E473 L476 L554 V560 L561	E473-C558 HydrophobicContact CG-CB 4.34Å; L476-C558 HydrophobicContact CD2-CB 3.78Å; L554-C558 CarbonylContact O-C 3.53Å; L554-C558 WeakPolarHBondContact O-CA 3.35Å; L554-C558 PolarHBondContact O-N 3.19Å; C558-V560 PolarHBondContact O-N 3.39Å; C558-V560 VanDerWaalsContact O-N 3.16Å; C558-L561 HydrophobicContact CB-CD1 4.44Å; C558-L561 PolarHBondContact O-N 2.79Å; C558-L561 VanDerWaalsContact O-N 3.14Å
559	P	51.9	Low	53.1	Low	54 Å²	54	50.7 Å²	50.7	35%	0.351	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-62.5	-25.5	-177	23	-31.7	0	0	0	113.3	F555 L561 Y562	F555-P559 HydrophobicContact CD1-CB 4.07Å; P559-L561 VanDerWaalsContact C-N 3.29Å; P559-L561 PolarHBondContact O-N 3.5Å; P559-Y562 WeakPolarHBondContact O-CB 3.49Å; P559-Y562 PolarHBondContact O-N 2.78Å; P559-Y562 VanDerWaalsContact O-N 3.1Å
560	V	49.6	Very low	53.4	Low	115 Å²	115	49 Å²	49	70%	0.697	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-65	-33.5	178.3	-170.4	0	0	0	0	112.1	C558 Y562	C558-V560 PolarHBondContact O-N 3.39Å; C558-V560 VanDerWaalsContact O-N 3.16Å; V560-Y562 VanDerWaalsContact C-N 3.27Å
561	L	53	Low	53.6	Low	18 Å²	18	53.3 Å²	53.3	9%	0.094	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-83.9	-4	177.4	-71.8	178.1	0	0	0	112.9	L476 L477 V480 C558 P559 H563 T564 V565	L476-L561 HydrophobicContact CD2-CD1 4.08Å; L476-L561 HydrophobicContact CG-CD1 4.17Å; L477-L561 HydrophobicContact CD2-CD1 3.89Å; L477-L561 HydrophobicContact CD2-CD2 3.82Å; L477-L561 HydrophobicContact CD2-CG 3.91Å; L477-L561 HydrophobicContact CG-CD1 4.38Å; V480-L561 HydrophobicContact CG2-CD1 4.16Å; C558-L561 HydrophobicContact CB-CD1 4.44Å; C558-L561 PolarHBondContact O-N 2.79Å; C558-L561 VanDerWaalsContact O-N 3.14Å; P559-L561 VanDerWaalsContact C-N 3.29Å; P559-L561 PolarHBondContact O-N 3.5Å; L561-H563 PolarHBondContact O-N 2.76Å; L561-T564 PolarHBondContact O-N 2.9Å; L561-T564 VanDerWaalsContact O-N 3.14Å; L561-V565 HydrophobicContact CB-CG2 4.11Å; L561-V565 WeakPolarHBondContact O-CB 3.46Å; L561-V565 WeakPolarHBondContact O-CG2 3.45Å; L561-V565 PolarHBondContact O-N 3.23Å
562	Y	55.3	Low	53.7	Low	23 Å²	23	53.5 Å²	53.5	9%	0.09	29%	0.291	C	S	.	.	H	α-helix	trans	-51.6	-57.7	-175.1	176.2	-104.8	0	0	0	112.1	Q551 L554 F555 P559 V560 T564 V565 I566	Q551-Y562 HydrophobicContact CB-CE2 4.27Å; Q551-Y562 HydrophobicContact CG-CE2 3.66Å; Q551-Y562 PolarHBondContact NE2-OH 3.28Å; Q551-Y562 PolarHBondContact OE1-OH 3.23Å; L554-Y562 HydrophobicContact CD2-CD2 3.88Å; L554-Y562 HydrophobicContact CG-CD2 4.39Å; F555-Y562 AromaticContact CD2-CD2 3.72Å; F555-Y562 HydrophobicContact CD2-CD2 3.72Å; F555-Y562 AromaticContact CD2-CE2 3.79Å; F555-Y562 HydrophobicContact CD2-CE2 3.79Å; F555-Y562 HydrophobicContact CD2-CG 4.35Å; F555-Y562 HydrophobicContact CE1-CD1 4.21Å; F555-Y562 HydrophobicContact CE1-CD2 4.36Å; F555-Y562 HydrophobicContact CE1-CG 4.04Å; F555-Y562 AromaticContact CE2-CD1 3.97Å; F555-Y562 HydrophobicContact CE2-CD1 3.97Å; F555-Y562 AromaticContact CE2-CD2 3.36Å; F555-Y562 HydrophobicContact CE2-CD2 3.36Å; F555-Y562 AromaticContact CE2-CE1 3.78Å; F555-Y562 HydrophobicContact CE2-CE1 3.78Å; F555-Y562 AromaticContact CE2-CE2 3.19Å; F555-Y562 HydrophobicContact CE2-CE2 3.19Å; F555-Y562 AromaticContact CE2-CG 3.76Å; F555-Y562 HydrophobicContact CE2-CG 3.76Å; F555-Y562 AromaticContact CE2-CZ 3.38Å; F555-Y562 HydrophobicContact CG-CD2 4.37Å; F555-Y562 AromaticContact CZ-CD1 3.52Å; F555-Y562 HydrophobicContact CZ-CD1 3.52Å; F555-Y562 AromaticContact CZ-CD2 3.71Å; F555-Y562 HydrophobicContact CZ-CD2 3.71Å; F555-Y562 AromaticContact CZ-CE1 3.58Å; F555-Y562 HydrophobicContact CZ-CE1 3.58Å; F555-Y562 AromaticContact CZ-CE2 3.82Å; F555-Y562 HydrophobicContact CZ-CE2 3.82Å; F555-Y562 AromaticContact CZ-CG 3.57Å; F555-Y562 HydrophobicContact CZ-CG 3.57Å; F555-Y562 AromaticContact CZ-CZ 3.72Å; P559-Y562 WeakPolarHBondContact O-CB 3.49Å; P559-Y562 PolarHBondContact O-N 2.78Å; P559-Y562 VanDerWaalsContact O-N 3.1Å; V560-Y562 VanDerWaalsContact C-N 3.27Å; Y562-T564 PolarHBondContact O-N 3.04Å; Y562-V565 PolarHBondContact O-N 2.89Å; Y562-I566 HydrophobicContact CD1-CG2 4.47Å; Y562-I566 HydrophobicContact CD2-CB 4.19Å; Y562-I566 HydrophobicContact CD2-CG2 4.48Å; Y562-I566 HydrophobicContact CE1-CG2 4.1Å; Y562-I566 HydrophobicContact CE2-CB 3.76Å; Y562-I566 HydrophobicContact CE2-CD1 4.13Å; Y562-I566 HydrophobicContact CE2-CG1 3.75Å; Y562-I566 HydrophobicContact CE2-CG2 4.05Å; Y562-I566 WeakPolarHBondContact O-CB 3.27Å; Y562-I566 WeakPolarHBondContact O-CG2 3.37Å; Y562-I566 PolarHBondContact O-N 3.24Å
563	H	54	Low	54.3	Low	153 Å²	153	51 Å²	51	71%	0.708	27%	0.27	S	S	*	.	H	α-helix	trans	-61.7	-31	-177.2	-69.9	-67.4	0	0	0	113.1	L561	L561-H563 PolarHBondContact O-N 2.76Å
564	T	52.5	Low	54.7	Low	85 Å²	85	47.3 Å²	47.3	52%	0.521	25%	0.252	S	S	.	.	H	α-helix	trans	-77.6	-44.2	179.2	-45.9	0	0	0	0	111.2	L561 Y562 F568	L561-T564 PolarHBondContact O-N 2.9Å; L561-T564 VanDerWaalsContact O-N 3.14Å; Y562-T564 PolarHBondContact O-N 3.04Å; T564-F568 WeakPolarHBondContact O-CD2 3.46Å; T564-F568 VanDerWaalsContact O-CE2 3.26Å; T564-F568 WeakPolarHBondContact O-CE2 2.96Å
565	V	54.4	Low	54.9	Low	10 Å²	10	50.8 Å²	50.8	6%	0.061	27%	0.271	C	S	.	.	H	α-helix	trans	-87.2	-38.5	-169.9	172.1	0	0	0	0	112.5	F522 L554 L561 Y562 G567 F568 V569	F522-V565 HydrophobicContact CD1-CG1 4.21Å; F522-V565 HydrophobicContact CD2-CG1 3.49Å; F522-V565 VanDerWaalsContact CD2-CG1 3.49Å; F522-V565 HydrophobicContact CD2-CG2 4.34Å; F522-V565 HydrophobicContact CE1-CG1 4.26Å; F522-V565 HydrophobicContact CE2-CB 4.22Å; F522-V565 HydrophobicContact CE2-CG1 3.51Å; F522-V565 HydrophobicContact CE2-CG2 3.59Å; F522-V565 HydrophobicContact CG-CG1 3.92Å; F522-V565 HydrophobicContact CZ-CG1 3.96Å; F522-V565 HydrophobicContact CZ-CG2 3.99Å; L554-V565 HydrophobicContact CD1-CB 4.26Å; L554-V565 HydrophobicContact CD1-CG1 4.19Å; L554-V565 HydrophobicContact CD2-CB 3.76Å; L554-V565 HydrophobicContact CD2-CG1 3.83Å; L561-V565 HydrophobicContact CB-CG2 4.11Å; L561-V565 WeakPolarHBondContact O-CB 3.46Å; L561-V565 WeakPolarHBondContact O-CG2 3.45Å; L561-V565 PolarHBondContact O-N 3.23Å; Y562-V565 PolarHBondContact O-N 2.89Å; V565-G567 VanDerWaalsContact C-N 3.29Å; V565-G567 PolarHBondContact O-N 3.33Å; V565-F568 PolarHBondContact O-N 2.98Å; V565-F568 VanDerWaalsContact O-N 3.07Å; V565-V569 HydrophobicContact CG1-CG2 4.03Å; V565-V569 PolarHBondContact O-N 2.76Å; V565-V569 VanDerWaalsContact O-N 3.11Å
566	I	61.4	Low	55.1	Low	19 Å²	19	52 Å²	52	10%	0.097	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-37.7	-173.4	-163.9	61.4	0	0	0	112.1	Q551 Y562 F568 V569 V570	Q551-I566 HydrophobicContact CB-CD1 3.91Å; Y562-I566 HydrophobicContact CD1-CG2 4.47Å; Y562-I566 HydrophobicContact CD2-CB 4.19Å; Y562-I566 HydrophobicContact CD2-CG2 4.48Å; Y562-I566 HydrophobicContact CE1-CG2 4.1Å; Y562-I566 HydrophobicContact CE2-CB 3.76Å; Y562-I566 HydrophobicContact CE2-CD1 4.13Å; Y562-I566 HydrophobicContact CE2-CG1 3.75Å; Y562-I566 HydrophobicContact CE2-CG2 4.05Å; Y562-I566 WeakPolarHBondContact O-CB 3.27Å; Y562-I566 WeakPolarHBondContact O-CG2 3.37Å; Y562-I566 PolarHBondContact O-N 3.24Å; I566-F568 VanDerWaalsContact C-N 3.27Å; I566-F568 PolarHBondContact O-N 2.97Å; I566-V569 PolarHBondContact O-N 3.5Å; I566-V570 HydrophobicContact CD1-CG2 4.42Å; I566-V570 HydrophobicContact CG1-CG2 4.26Å; I566-V570 VanDerWaalsContact O-CG2 3.29Å; I566-V570 WeakPolarHBondContact O-CG2 3.42Å; I566-V570 PolarHBondContact O-N 3.07Å
567	G	58.5	Low	55.8	Low	33 Å²	33	45.7 Å²	45.7	34%	0.34	24%	0.241	S	C	.	.	H	α-helix	trans	-58.6	-38.6	176.8	0	0	0	0	0	112.7	V565 K571	V565-G567 VanDerWaalsContact C-N 3.29Å; V565-G567 PolarHBondContact O-N 3.33Å; G567-K571 WeakPolarHBondContact O-CB 3.39Å; G567-K571 PolarHBondContact O-N 2.94Å; G567-K571 VanDerWaalsContact O-N 3.11Å
568	F	56	Low	56.5	Low	115 Å²	115	44.7 Å²	44.7	50%	0.504	24%	0.235	S	C	.	.	H	α-helix	trans	-73	-39.9	176.6	-67.5	-72	0	0	0	112.8	T564 V565 I566 V570 K571 N572	T564-F568 WeakPolarHBondContact O-CD2 3.46Å; T564-F568 VanDerWaalsContact O-CE2 3.26Å; T564-F568 WeakPolarHBondContact O-CE2 2.96Å; V565-F568 PolarHBondContact O-N 2.98Å; V565-F568 VanDerWaalsContact O-N 3.07Å; I566-F568 VanDerWaalsContact C-N 3.27Å; I566-F568 PolarHBondContact O-N 2.97Å; F568-V570 VanDerWaalsContact C-N 3.33Å; F568-K571 PolarHBondContact O-N 2.76Å; F568-N572 WeakPolarHBondContact O-CB 3.24Å; F568-N572 PolarHBondContact O-N 2.81Å
569	V	57.4	Low	57	Low	1 Å²	1	50.5 Å²	50.5	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-49.2	176.8	172	0	0	0	0	109.7	F522 I526 V547 V550 V565 I566 K571 N572 Y573	F522-V569 HydrophobicContact CB-CG2 4.46Å; I526-V569 HydrophobicContact CD1-CG1 4.36Å; V547-V569 HydrophobicContact CG2-CG1 4.5Å; V550-V569 HydrophobicContact CB-CG1 4.16Å; V550-V569 HydrophobicContact CG1-CB 4.44Å; V550-V569 HydrophobicContact CG1-CG1 3.91Å; V550-V569 HydrophobicContact CG1-CG2 3.81Å; V550-V569 HydrophobicContact CG2-CG1 4.25Å; V565-V569 HydrophobicContact CG1-CG2 4.03Å; V565-V569 PolarHBondContact O-N 2.76Å; V565-V569 VanDerWaalsContact O-N 3.11Å; I566-V569 PolarHBondContact O-N 3.5Å; V569-K571 PolarHBondContact O-N 3.22Å; V569-N572 PolarHBondContact O-N 2.96Å; V569-Y573 HydrophobicContact CG1-CD2 3.94Å; V569-Y573 HydrophobicContact CG1-CE2 3.88Å; V569-Y573 WeakPolarHBondContact O-CD2 3.44Å; V569-Y573 PolarHBondContact O-N 3.5Å; V569-Y573 VanDerWaalsContact O-N 3.09Å
570	V	59.1	Low	57.5	Low	16 Å²	16	49.4 Å²	49.4	10%	0.097	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-39.7	-178.1	-175.9	0	0	0	0	111.6	V547 I566 F568 N572 Y573 H574 L606	V547-V570 HydrophobicContact CG1-CG2 3.83Å; I566-V570 HydrophobicContact CD1-CG2 4.42Å; I566-V570 HydrophobicContact CG1-CG2 4.26Å; I566-V570 VanDerWaalsContact O-CG2 3.29Å; I566-V570 WeakPolarHBondContact O-CG2 3.42Å; I566-V570 PolarHBondContact O-N 3.07Å; F568-V570 VanDerWaalsContact C-N 3.33Å; V570-N572 VanDerWaalsContact C-N 3.33Å; V570-N572 PolarHBondContact O-N 2.96Å; V570-Y573 PolarHBondContact O-N 3.12Å; V570-H574 WeakPolarHBondContact O-CB 3.22Å; V570-H574 PolarHBondContact O-N 2.9Å; V570-L606 HydrophobicContact CB-CD2 4.25Å; V570-L606 HydrophobicContact CG1-CD2 3.08Å
571	K	59.3	Low	57.9	Low	93 Å²	93	44 Å²	44	40%	0.404	22%	0.22	S	C	.	.	H	α-helix	trans	-59.6	-42.5	173.3	-175.2	177.3	177.8	176.5	0	112	G567 F568 V569 H574 D575	G567-K571 WeakPolarHBondContact O-CB 3.39Å; G567-K571 PolarHBondContact O-N 2.94Å; G567-K571 VanDerWaalsContact O-N 3.11Å; F568-K571 PolarHBondContact O-N 2.76Å; V569-K571 PolarHBondContact O-N 3.22Å; K571-H574 WeakPolarHBondContact O-CB 3.29Å; K571-H574 PolarHBondContact O-N 3.47Å; K571-D575 VanDerWaalsContact O-CG 3.27Å; K571-D575 PolarHBondContact O-N 3.13Å
572	N	59.6	Low	58.3	Low	17 Å²	17	48.4 Å²	48.4	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-45.7	179.2	-167.7	-78	0	0	0	112.2	F568 V569 V570 H574 D575 R576	F568-N572 WeakPolarHBondContact O-CB 3.24Å; F568-N572 PolarHBondContact O-N 2.81Å; V569-N572 PolarHBondContact O-N 2.96Å; V570-N572 VanDerWaalsContact C-N 3.33Å; V570-N572 PolarHBondContact O-N 2.96Å; N572-H574 VanDerWaalsContact C-N 3.31Å; N572-H574 PolarHBondContact O-N 2.95Å; N572-D575 PolarHBondContact O-N 2.79Å; N572-R576 WeakPolarHBondContact O-CG 3.48Å; N572-R576 PolarHBondContact O-N 2.79Å
573	Y	61	Low	58.7	Low	6 Å²	6	54 Å²	54	2%	0.024	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-36.8	173.9	-82.5	-74.5	0	0	0	112.8	I526 C543 R546 V547 V569 V570 R576 I577	I526-Y573 VanDerWaalsContact CA-OH 3.28Å; I526-Y573 WeakPolarHBondContact CA-OH 2.86Å; I526-Y573 HydrophobicContact CB-CE2 4.25Å; I526-Y573 WeakPolarHBondContact CB-OH 3.43Å; I526-Y573 HydrophobicContact CD1-CD2 3.89Å; I526-Y573 HydrophobicContact CD1-CE2 3.35Å; I526-Y573 HydrophobicContact CG1-CD2 4.46Å; I526-Y573 HydrophobicContact CG1-CE2 3.46Å; I526-Y573 VanDerWaalsContact CG1-CE2 3.46Å; I526-Y573 VanDerWaalsContact CG1-OH 3.23Å; I526-Y573 WeakPolarHBondContact CG1-OH 3.49Å; I526-Y573 HydrophobicContact CG2-CE1 3.73Å; I526-Y573 HydrophobicContact CG2-CE2 4.16Å; I526-Y573 VanDerWaalsContact CG2-CZ 3.41Å; I526-Y573 WeakPolarHBondContact CG2-OH 3.26Å; I526-Y573 PolarHBondContact O-OH 3.34Å; C543-Y573 HydrophobicContact CB-CD1 3.65Å; C543-Y573 HydrophobicContact CB-CE1 4.04Å; R546-Y573 HydrophobicContact CB-CE1 4.24Å; R546-Y573 WeakPolarHBondContact CB-OH 3.44Å; V547-Y573 HydrophobicContact CG2-CD2 3.22Å; V547-Y573 HydrophobicContact CG2-CE2 3.57Å; V547-Y573 HydrophobicContact CG2-CG 3.75Å; V569-Y573 HydrophobicContact CG1-CD2 3.94Å; V569-Y573 HydrophobicContact CG1-CE2 3.88Å; V569-Y573 WeakPolarHBondContact O-CD2 3.44Å; V569-Y573 PolarHBondContact O-N 3.5Å; V569-Y573 VanDerWaalsContact O-N 3.09Å; V570-Y573 PolarHBondContact O-N 3.12Å; Y573-R576 PolarHBondContact O-N 3.14Å; Y573-I577 WeakPolarHBondContact O-CB 3.23Å; Y573-I577 WeakPolarHBondContact O-CD1 3.47Å; Y573-I577 WeakPolarHBondContact O-CG1 3.46Å; Y573-I577 PolarHBondContact O-N 3.45Å
574	H	58.4	Low	59.1	Low	13 Å²	13	50.4 Å²	50.4	6%	0.06	25%	0.245	C	C	.	.	H	α-helix	trans	-58.1	-49.8	173.3	167.1	-82.8	0	0	0	110.9	V570 K571 N572 R576 I577 T578 T610 I614	V570-H574 WeakPolarHBondContact O-CB 3.22Å; V570-H574 PolarHBondContact O-N 2.9Å; K571-H574 WeakPolarHBondContact O-CB 3.29Å; K571-H574 PolarHBondContact O-N 3.47Å; N572-H574 VanDerWaalsContact C-N 3.31Å; N572-H574 PolarHBondContact O-N 2.95Å; H574-R576 VanDerWaalsContact C-N 3.33Å; H574-R576 PolarHBondContact O-N 2.87Å; H574-I577 PolarHBondContact O-N 2.87Å; H574-T578 VanDerWaalsContact O-CB 3.3Å; H574-T578 WeakPolarHBondContact O-CB 3.47Å; H574-T578 PolarHBondContact O-N 3.49Å; H574-T578 PolarHBondContact O-OG1 2.8Å; H574-T610 HydrophobicContact CB-CG2 4.4Å; H574-I614 WeakPolarHBondContact NE2-CG1 3.45Å
575	D	56.5	Low	59.4	Low	79 Å²	79	48.7 Å²	48.7	42%	0.422	23%	0.233	S	C	.	.	H	α-helix	trans	-63	-41.3	-178.4	-65.2	-15.8	0	0	0	110.9	K571 N572 T578 E579	K571-D575 VanDerWaalsContact O-CG 3.27Å; K571-D575 PolarHBondContact O-N 3.13Å; N572-D575 PolarHBondContact O-N 2.79Å; D575-T578 WeakPolarHBondContact O-CB 3.4Å; D575-T578 PolarHBondContact O-N 2.84Å; D575-E579 WeakPolarHBondContact O-CB 3.47Å; D575-E579 PolarHBondContact O-N 3.41Å
576	R	60.3	Low	59.6	Low	71 Å²	71	55.5 Å²	55.5	27%	0.268	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-47	174.5	-76.8	-177.7	156.4	-166	-7.9	114	N572 Y573 H574 T578 E579 H580	N572-R576 WeakPolarHBondContact O-CG 3.48Å; N572-R576 PolarHBondContact O-N 2.79Å; Y573-R576 PolarHBondContact O-N 3.14Å; H574-R576 VanDerWaalsContact C-N 3.33Å; H574-R576 PolarHBondContact O-N 2.87Å; R576-T578 PolarHBondContact O-N 3.43Å; R576-E579 PolarHBondContact O-N 3.27Å; R576-H580 VanDerWaalsContact O-CB 3.31Å; R576-H580 WeakPolarHBondContact O-CB 3.22Å; R576-H580 PolarHBondContact O-N 2.85Å
577	I	59.8	Low	59.6	Low	4 Å²	4	59.8 Å²	59.8	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-39.6	176.3	-68.3	163.8	0	0	0	109.6	Y539 I540 C543 Y573 H574 A581 L599	Y539-I577 HydrophobicContact CE1-CG1 4.32Å; I540-I577 HydrophobicContact CD1-CG2 4.24Å; I540-I577 HydrophobicContact CG1-CG2 3.85Å; C543-I577 HydrophobicContact CB-CD1 3.81Å; C543-I577 HydrophobicContact CB-CG1 4.13Å; Y573-I577 WeakPolarHBondContact O-CB 3.23Å; Y573-I577 WeakPolarHBondContact O-CD1 3.47Å; Y573-I577 WeakPolarHBondContact O-CG1 3.46Å; Y573-I577 PolarHBondContact O-N 3.45Å; H574-I577 PolarHBondContact O-N 2.87Å; I577-A581 WeakPolarHBondContact O-CB 3.29Å; I577-A581 PolarHBondContact O-N 2.85Å; I577-L599 HydrophobicContact CB-CD1 4.43Å; I577-L599 HydrophobicContact CD1-CD1 4.43Å; I577-L599 HydrophobicContact CD1-CD2 4.09Å; I577-L599 HydrophobicContact CG2-CD1 3.73Å
578	T	59.2	Low	59.5	Low	13 Å²	13	58.8 Å²	58.8	8%	0.08	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-45.5	178.1	-57.4	0	0	0	0	111.2	H574 D575 R576 A581 K582 F617	H574-T578 VanDerWaalsContact O-CB 3.3Å; H574-T578 WeakPolarHBondContact O-CB 3.47Å; H574-T578 PolarHBondContact O-N 3.49Å; H574-T578 PolarHBondContact O-OG1 2.8Å; D575-T578 WeakPolarHBondContact O-CB 3.4Å; D575-T578 PolarHBondContact O-N 2.84Å; R576-T578 PolarHBondContact O-N 3.43Å; T578-A581 PolarHBondContact O-N 3.23Å; T578-K582 HydrophobicContact CG2-CD 4.27Å; T578-K582 WeakPolarHBondContact O-CB 3.44Å; T578-K582 VanDerWaalsContact O-CG 3.23Å; T578-K582 WeakPolarHBondContact O-CG 3.37Å; T578-K582 PolarHBondContact O-N 2.92Å; T578-F617 HydrophobicContact CG2-CD2 3.69Å; T578-F617 HydrophobicContact CG2-CE1 4.45Å; T578-F617 HydrophobicContact CG2-CE2 3.58Å; T578-F617 HydrophobicContact CG2-CG 4.22Å; T578-F617 HydrophobicContact CG2-CZ 3.98Å
579	E	60.2	Low	59.7	Low	123 Å²	123	55.9 Å²	55.9	58%	0.575	28%	0.277	S	S	*	.	H	α-helix	trans	-63.5	-50.8	176.8	-171.9	172.3	-155.9	0	0	111.5	D575 R576 A581 K582 E583	D575-E579 WeakPolarHBondContact O-CB 3.47Å; D575-E579 PolarHBondContact O-N 3.41Å; R576-E579 PolarHBondContact O-N 3.27Å; E579-A581 VanDerWaalsContact C-N 3.3Å; E579-A581 PolarHBondContact O-N 2.82Å; E579-K582 WeakPolarHBondContact O-CB 3.42Å; E579-K582 PolarHBondContact O-N 3.46Å; E579-K582 VanDerWaalsContact O-N 3.08Å; E579-E583 PolarHBondContact O-N 2.78Å
580	H	61.3	Low	59.6	Low	30 Å²	30	60.5 Å²	60.5	14%	0.139	31%	0.309	C	S	.	.	H	α-helix	trans	-60.8	-37.6	177.5	-170.4	94.6	0	0	0	112.7	Y539 R576 R584	Y539-H580 HydrophobicContact CD1-CB 4.35Å; Y539-H580 AromaticContact CD1-CD2 3.82Å; Y539-H580 AromaticContact CD1-CG 3.96Å; Y539-H580 HydrophobicContact CE1-CB 3.86Å; Y539-H580 AromaticContact CE1-CG 3.82Å; R576-H580 VanDerWaalsContact O-CB 3.31Å; R576-H580 WeakPolarHBondContact O-CB 3.22Å; R576-H580 PolarHBondContact O-N 2.85Å; H580-R584 PolarHBondContact CE1-NH1 3.31Å; H580-R584 PolarHBondContact ND1-NH1 2.83Å; H580-R584 PolarHBondContact NE2-NH1 2.68Å; H580-R584 PolarHBondContact O-N 2.84Å
581	A	59	Low	59.3	Low	1 Å²	1	65.9 Å²	65.9	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-70.1	-36.9	175.3	0	0	0	0	0	112	I577 T578 E579 R584 L585 M588 V596 F617	I577-A581 WeakPolarHBondContact O-CB 3.29Å; I577-A581 PolarHBondContact O-N 2.85Å; T578-A581 PolarHBondContact O-N 3.23Å; E579-A581 VanDerWaalsContact C-N 3.3Å; E579-A581 PolarHBondContact O-N 2.82Å; A581-R584 PolarHBondContact O-N 3.19Å; A581-L585 WeakPolarHBondContact O-CA 3.31Å; A581-L585 WeakPolarHBondContact O-CB 3.35Å; A581-L585 PolarHBondContact O-N 2.84Å; A581-M588 HydrophobicContact CB-CE 4.12Å; A581-V596 HydrophobicContact CB-CG1 4.06Å; A581-V596 HydrophobicContact CB-CG2 4.17Å; A581-F617 HydrophobicContact CB-CZ 4.2Å
582	K	60.1	Low	59	Low	112 Å²	112	64 Å²	64	49%	0.487	33%	0.326	S	S	.	.	H	α-helix	trans	-64.3	-46.1	175.2	-80	172.8	179.2	176.8	0	111.7	T578 E579 R584 L585 F617	T578-K582 HydrophobicContact CG2-CD 4.27Å; T578-K582 WeakPolarHBondContact O-CB 3.44Å; T578-K582 VanDerWaalsContact O-CG 3.23Å; T578-K582 WeakPolarHBondContact O-CG 3.37Å; T578-K582 PolarHBondContact O-N 2.92Å; E579-K582 WeakPolarHBondContact O-CB 3.42Å; E579-K582 PolarHBondContact O-N 3.46Å; E579-K582 VanDerWaalsContact O-N 3.08Å; K582-R584 PolarHBondContact O-N 3.04Å; K582-L585 WeakPolarHBondContact O-CB 3.31Å; K582-L585 PolarHBondContact O-N 3.21Å; K582-F617 HydrophobicContact CG-CE2 4.03Å
583	E	63.8	Low	58.6	Low	139 Å²	139	66.8 Å²	66.8	65%	0.65	34%	0.335	S	S	*	.	H	α-helix	trans	-60.2	-33.5	178.1	-72.4	-173.4	158.8	0	0	112.9	E579	E579-E583 PolarHBondContact O-N 2.78Å
584	R	63.7	Low	58.2	Low	78 Å²	78	67.7 Å²	67.7	29%	0.294	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	1.9	-177.9	-72.9	178.1	164.2	79.9	-3.5	114	V536 H580 A581 K582 D586 T587 M588	V536-R584 HydrophobicContact CG2-CB 4.39Å; H580-R584 PolarHBondContact CE1-NH1 3.31Å; H580-R584 PolarHBondContact ND1-NH1 2.83Å; H580-R584 PolarHBondContact NE2-NH1 2.68Å; H580-R584 PolarHBondContact O-N 2.84Å; A581-R584 PolarHBondContact O-N 3.19Å; K582-R584 PolarHBondContact O-N 3.04Å; R584-D586 PolarHBondContact O-N 2.97Å; R584-D586 VanDerWaalsContact O-N 3.17Å; R584-T587 CarbonylContact O-C 3.45Å; R584-T587 WeakPolarHBondContact O-CA 3.21Å; R584-T587 PolarHBondContact O-N 3.33Å; R584-T587 PolarHBondContact O-OG1 3.28Å; R584-M588 WeakPolarHBondContact O-CG 3.34Å; R584-M588 PolarHBondContact O-N 3.05Å
585	L	58.3	Low	57.7	Low	49 Å²	49	70 Å²	70	26%	0.257	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-38.2	-170.3	-163.9	75.1	0	0	0	113	A581 K582 T587 M588 R593 I621	A581-L585 WeakPolarHBondContact O-CA 3.31Å; A581-L585 WeakPolarHBondContact O-CB 3.35Å; A581-L585 PolarHBondContact O-N 2.84Å; K582-L585 WeakPolarHBondContact O-CB 3.31Å; K582-L585 PolarHBondContact O-N 3.21Å; L585-T587 VanDerWaalsContact C-N 3.32Å; L585-M588 PolarHBondContact O-N 3.08Å; L585-R593 PolarHBondContact O-NH2 3.46Å; L585-I621 HydrophobicContact CD1-CG1 4.36Å
586	D	59.3	Low	57.5	Low	153 Å²	153	66.4 Å²	66.4	82%	0.818	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-28	179.7	-65.3	-23.6	0	0	0	112.4	R584	R584-D586 PolarHBondContact O-N 2.97Å; R584-D586 VanDerWaalsContact O-N 3.17Å
587	T	61	Low	57.1	Low	109 Å²	109	64.7 Å²	64.7	67%	0.669	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-9.4	179.6	61.5	0	0	0	0	113.8	R584 L585	R584-T587 CarbonylContact O-C 3.45Å; R584-T587 WeakPolarHBondContact O-CA 3.21Å; R584-T587 PolarHBondContact O-N 3.33Å; R584-T587 PolarHBondContact O-OG1 3.28Å; L585-T587 VanDerWaalsContact C-N 3.32Å
588	M	57	Low	56.5	Low	12 Å²	12	65.6 Å²	65.6	6%	0.059	34%	0.335	C	S	.	.			trans	-75	129.4	-175.8	-81.6	-176.3	166.7	0	0	112.8	V536 A581 R584 L585 Q592 R593 V596	V536-M588 HydrophobicContact CB-CE 3.67Å; V536-M588 HydrophobicContact CG1-CE 3.32Å; V536-M588 HydrophobicContact CG2-CE 3.52Å; A581-M588 HydrophobicContact CB-CE 4.12Å; R584-M588 WeakPolarHBondContact O-CG 3.34Å; R584-M588 PolarHBondContact O-N 3.05Å; L585-M588 PolarHBondContact O-N 3.08Å; M588-Q592 HydrophobicContact CB-CB 4.09Å; M588-Q592 HydrophobicContact CG-CB 4.02Å; M588-R593 HydrophobicContact CB-CG 3.83Å; M588-R593 HydrophobicContact SD-CG 4.12Å; M588-V596 HydrophobicContact CE-CG2 3.51Å; M588-V596 HydrophobicContact SD-CG2 4.07Å
589	S	59.6	Low	56	Low	55 Å²	55	65.9 Å²	65.9	39%	0.385	34%	0.335	S	S	.	.			trans	-64.4	159.7	165	75	0	0	0	0	111.4	Q591 Q592 R593	S589-Q591 PolarHBondContact O-N 3.01Å; S589-Q592 PolarHBondContact O-N 3.11Å; S589-Q592 WeakPolarHBondContact OG-CG 3.21Å; S589-Q592 PolarHBondContact OG-N 3.2Å; S589-R593 PolarHBondContact O-N 3.37Å
590	S	54.7	Low	55.4	Low	97 Å²	97	62.7 Å²	62.7	68%	0.678	32%	0.32	S	S	*	.	H	α-helix	trans	-55.1	-36.9	174.8	58.2	0	0	0	0	112.2	S594	S590-S594 WeakPolarHBondContact O-CB 3.29Å; S590-S594 PolarHBondContact O-N 3.03Å; S590-S594 VanDerWaalsContact O-N 3.13Å; S590-S594 PolarHBondContact O-OG 2.86Å
591	Q	52.9	Low	54.7	Low	129 Å²	129	62 Å²	62	60%	0.603	32%	0.319	S	S	*	.	H	α-helix	trans	-65.2	-35.1	173.1	-94.7	-176.9	-18.4	0	0	113.6	S589 S594 Q595	S589-Q591 PolarHBondContact O-N 3.01Å; Q591-S594 VanDerWaalsContact O-CB 3.29Å; Q591-S594 WeakPolarHBondContact O-CB 3.25Å; Q591-Q595 WeakPolarHBondContact O-CG 3.35Å; Q591-Q595 PolarHBondContact O-N 2.9Å
592	Q	53.6	Low	54.1	Low	54 Å²	54	63 Å²	63	25%	0.252	33%	0.325	S	S	.	.	H	α-helix	trans	-73.5	-40.7	177.2	-73.5	170.3	-31.1	0	0	111.5	M588 S589 S594 Q595 V596	M588-Q592 HydrophobicContact CB-CB 4.09Å; M588-Q592 HydrophobicContact CG-CB 4.02Å; S589-Q592 PolarHBondContact O-N 3.11Å; S589-Q592 WeakPolarHBondContact OG-CG 3.21Å; S589-Q592 PolarHBondContact OG-N 3.2Å; Q592-S594 PolarHBondContact O-N 3.36Å; Q592-Q595 PolarHBondContact O-N 3.23Å; Q592-V596 PolarHBondContact O-N 2.78Å
593	R	51.7	Low	53.5	Low	76 Å²	76	61.7 Å²	61.7	29%	0.287	32%	0.319	S	S	.	.	H	α-helix	trans	-56.6	-40.8	173.4	-65.3	-179	-177.7	-171.6	-4.3	111.5	L585 M588 S589 Q595 V596 I597	L585-R593 PolarHBondContact O-NH2 3.46Å; M588-R593 HydrophobicContact CB-CG 3.83Å; M588-R593 HydrophobicContact SD-CG 4.12Å; S589-R593 PolarHBondContact O-N 3.37Å; R593-Q595 VanDerWaalsContact C-N 3.34Å; R593-Q595 PolarHBondContact O-N 2.88Å; R593-V596 PolarHBondContact O-N 2.78Å; R593-I597 PolarHBondContact O-N 3.31Å
594	S	50.6	Low	52.8	Low	25 Å²	25	59.7 Å²	59.7	18%	0.175	32%	0.32	C	S	.	.	H	α-helix	trans	-60.7	-38.4	175.4	-59.8	0	0	0	0	113.9	S590 Q591 Q592 I597 L629	S590-S594 WeakPolarHBondContact O-CB 3.29Å; S590-S594 PolarHBondContact O-N 3.03Å; S590-S594 VanDerWaalsContact O-N 3.13Å; S590-S594 PolarHBondContact O-OG 2.86Å; Q591-S594 VanDerWaalsContact O-CB 3.29Å; Q591-S594 WeakPolarHBondContact O-CB 3.25Å; Q592-S594 PolarHBondContact O-N 3.36Å; S594-I597 WeakPolarHBondContact O-CB 3.25Å; S594-I597 PolarHBondContact O-N 3.43Å; S594-L629 WeakPolarHBondContact OG-CD2 3.5Å
595	Q	49.8	Very low	51.9	Low	60 Å²	60	59 Å²	59	28%	0.28	32%	0.32	S	S	.	.	H	α-helix	trans	-76.6	-22.4	179.3	-72.5	168.8	-15.4	0	0	113.3	S537 Q591 Q592 R593 I597 L598	S537-Q595 PolarHBondContact OG-OE1 2.9Å; Q591-Q595 WeakPolarHBondContact O-CG 3.35Å; Q591-Q595 PolarHBondContact O-N 2.9Å; Q592-Q595 PolarHBondContact O-N 3.23Å; R593-Q595 VanDerWaalsContact C-N 3.34Å; R593-Q595 PolarHBondContact O-N 2.88Å; Q595-I597 VanDerWaalsContact C-N 3.28Å; Q595-L598 HydrophobicContact CG-CD1 4.34Å; Q595-L598 WeakPolarHBondContact O-CB 3.34Å; Q595-L598 PolarHBondContact O-N 2.86Å
596	V	51.5	Low	51.1	Low	5 Å²	5	57.5 Å²	57.5	3%	0.03	31%	0.312	C	S	.	.	H	α-helix	trans	-67	-35.5	169.4	-178.3	0	0	0	0	110.5	V536 I540 A581 M588 Q592 R593 L598 L599 F617	V536-V596 HydrophobicContact CG1-CG2 4.13Å; I540-V596 HydrophobicContact CD1-CB 4.34Å; I540-V596 HydrophobicContact CD1-CG2 3.99Å; A581-V596 HydrophobicContact CB-CG1 4.06Å; A581-V596 HydrophobicContact CB-CG2 4.17Å; M588-V596 HydrophobicContact CE-CG2 3.51Å; M588-V596 HydrophobicContact SD-CG2 4.07Å; Q592-V596 PolarHBondContact O-N 2.78Å; R593-V596 PolarHBondContact O-N 2.78Å; V596-L598 PolarHBondContact O-N 3.44Å; V596-L599 PolarHBondContact O-N 3.08Å; V596-F617 HydrophobicContact CG1-CE1 3.81Å
597	I	51.1	Low	50.4	Low	35 Å²	35	53 Å²	53	18%	0.179	29%	0.292	C	S	.	.	H	α-helix	trans	-68.2	-21.2	178	-59.7	168.7	0	0	0	111.6	R593 S594 Q595 L599 E600 W625	R593-I597 PolarHBondContact O-N 3.31Å; S594-I597 WeakPolarHBondContact O-CB 3.25Å; S594-I597 PolarHBondContact O-N 3.43Å; Q595-I597 VanDerWaalsContact C-N 3.28Å; I597-L599 PolarHBondContact O-N 3.06Å; I597-E600 WeakPolarHBondContact O-CB 3.44Å; I597-E600 PolarHBondContact O-N 3.05Å; I597-W625 HydrophobicContact CG2-CH2 3.52Å; I597-W625 HydrophobicContact CG2-CZ2 4.42Å; I597-W625 HydrophobicContact CG2-CZ3 3.69Å
598	L	48.8	Very low	49.8	Very low	23 Å²	23	51.5 Å²	51.5	12%	0.12	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-59.1	-14.8	176.7	-121.2	158.9	0	0	0	113.3	Q595 V596 E600 S601 L633 Y636	Q595-L598 HydrophobicContact CG-CD1 4.34Å; Q595-L598 WeakPolarHBondContact O-CB 3.34Å; Q595-L598 PolarHBondContact O-N 2.86Å; V596-L598 PolarHBondContact O-N 3.44Å; L598-E600 PolarHBondContact O-N 2.83Å; L598-S601 WeakPolarHBondContact O-CB 3.23Å; L598-S601 PolarHBondContact O-N 3.28Å; L598-S601 PolarHBondContact O-OG 3.47Å; L598-L633 HydrophobicContact CD2-CD1 3.7Å; L598-L633 HydrophobicContact CG-CD1 3.84Å; L598-Y636 HydrophobicContact CD1-CD2 3.94Å; L598-Y636 HydrophobicContact CD1-CE2 4.42Å; L598-Y636 HydrophobicContact CD1-CG 4.02Å; L598-Y636 HydrophobicContact CD2-CD1 3.17Å; L598-Y636 HydrophobicContact CD2-CD2 3.98Å; L598-Y636 HydrophobicContact CD2-CE1 3.63Å; L598-Y636 HydrophobicContact CD2-CE2 4.33Å; L598-Y636 HydrophobicContact CD2-CG 3.37Å; L598-Y636 HydrophobicContact CG-CD1 4.48Å; L598-Y636 HydrophobicContact CG-CG 4.33Å
599	L	48	Very low	49	Very low	19 Å²	19	58.1 Å²	58.1	10%	0.099	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-51.3	-22.6	163.7	-89.7	163.6	0	0	0	113.6	I577 V596 I597 S601 V602	I577-L599 HydrophobicContact CB-CD1 4.43Å; I577-L599 HydrophobicContact CD1-CD1 4.43Å; I577-L599 HydrophobicContact CD1-CD2 4.09Å; I577-L599 HydrophobicContact CG2-CD1 3.73Å; V596-L599 PolarHBondContact O-N 3.08Å; I597-L599 PolarHBondContact O-N 3.06Å; L599-S601 PolarHBondContact O-N 2.9Å; L599-V602 PolarHBondContact O-N 3.09Å; L599-V602 VanDerWaalsContact O-N 3.1Å
600	E	47.2	Very low	48.1	Very low	55 Å²	55	55.8 Å²	55.8	26%	0.257	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-62.3	-24.1	175.5	-159	167.2	-152.6	0	0	112.9	I597 L598 V602 K603 W625	I597-E600 WeakPolarHBondContact O-CB 3.44Å; I597-E600 PolarHBondContact O-N 3.05Å; L598-E600 PolarHBondContact O-N 2.83Å; E600-V602 PolarHBondContact O-N 3.45Å; E600-K603 HydrophobicContact CG-CB 4.43Å; E600-K603 HydrophobicContact CG-CD 4.06Å; E600-K603 WeakPolarHBondContact O-CB 3.39Å; E600-K603 PolarHBondContact O-N 2.86Å; E600-K603 IonicContact OE1-NZ 3.62Å; E600-W625 WeakPolarHBondContact OE2-CH2 3.29Å; E600-W625 VanDerWaalsContact OE2-CZ2 3.3Å; E600-W625 WeakPolarHBondContact OE2-CZ2 3.47Å
601	S	47	Very low	47.8	Very low	17 Å²	17	54.4 Å²	54.4	12%	0.119	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-60.5	-26.3	173.5	58.6	0	0	0	0	113.4	L598 L599	L598-S601 WeakPolarHBondContact O-CB 3.23Å; L598-S601 PolarHBondContact O-N 3.28Å; L598-S601 PolarHBondContact O-OG 3.47Å; L599-S601 PolarHBondContact O-N 2.9Å
602	V	45.5	Very low	47.7	Very low	20 Å²	20	53.2 Å²	53.2	12%	0.121	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-94.4	-0.6	-179.9	-163.5	0	0	0	0	111.5	L599 E600 S604 F605	L599-V602 PolarHBondContact O-N 3.09Å; L599-V602 VanDerWaalsContact O-N 3.1Å; E600-V602 PolarHBondContact O-N 3.45Å; V602-S604 PolarHBondContact O-N 2.69Å; V602-F605 HydrophobicContact CG1-CB 4.12Å; V602-F605 HydrophobicContact CG1-CD2 3.81Å; V602-F605 HydrophobicContact CG1-CG 4.38Å; V602-F605 WeakPolarHBondContact O-CB 3.24Å; V602-F605 WeakPolarHBondContact O-CD2 3.28Å; V602-F605 PolarHBondContact O-N 2.87Å
603	K	47.7	Very low	47.2	Very low	86 Å²	86	52.4 Å²	52.4	37%	0.374	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-52.4	-36.2	-173.4	-174.8	-177.3	-175.9	176.4	0	114.1	E600 F605 L606 Q611	E600-K603 HydrophobicContact CG-CB 4.43Å; E600-K603 HydrophobicContact CG-CD 4.06Å; E600-K603 WeakPolarHBondContact O-CB 3.39Å; E600-K603 PolarHBondContact O-N 2.86Å; E600-K603 IonicContact OE1-NZ 3.62Å; K603-F605 PolarHBondContact O-N 3.43Å; K603-L606 WeakPolarHBondContact O-CB 3.5Å; K603-L606 PolarHBondContact O-N 2.84Å; K603-L606 VanDerWaalsContact O-N 3.12Å; K603-Q611 HydrophobicContact CG-CG 3.89Å; K603-Q611 PolarHBondContact O-NE2 3.43Å
604	S	49.4	Very low	46.9	Very low	96 Å²	96	50.3 Å²	50.3	67%	0.671	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-61.4	-22.9	177.6	51.9	0	0	0	0	113.6	V602	V602-S604 PolarHBondContact O-N 2.69Å
605	F	44.7	Very low	47	Very low	63 Å²	63	57.7 Å²	57.7	28%	0.276	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-96	-6	-179.7	-54	-77.2	0	0	0	112.9	V602 K603 I644 L647	V602-F605 HydrophobicContact CG1-CB 4.12Å; V602-F605 HydrophobicContact CG1-CD2 3.81Å; V602-F605 HydrophobicContact CG1-CG 4.38Å; V602-F605 WeakPolarHBondContact O-CB 3.24Å; V602-F605 WeakPolarHBondContact O-CD2 3.28Å; V602-F605 PolarHBondContact O-N 2.87Å; K603-F605 PolarHBondContact O-N 3.43Å; F605-I644 HydrophobicContact CE2-CG2 4.46Å; F605-L647 HydrophobicContact CD1-CB 4.39Å; F605-L647 HydrophobicContact CD2-CD1 4.43Å; F605-L647 HydrophobicContact CE1-CB 3.66Å; F605-L647 WeakPolarHBondContact CE1-O 3.34Å; F605-L647 HydrophobicContact CE2-CB 3.89Å; F605-L647 HydrophobicContact CE2-CD1 4.1Å; F605-L647 HydrophobicContact CZ-CB 3.36Å; F605-L647 HydrophobicContact CZ-CD1 4.43Å; F605-L647 HydrophobicContact CZ-CG 4.49Å
606	L	42.9	Very low	47.1	Very low	19 Å²	19	58.8 Å²	58.8	10%	0.099	31%	0.314	C	S	.	.	S	Bend	trans	-90.3	139.7	-176.1	-57.5	-176.6	0	0	0	110.9	V570 K603 T610 Q611 I614	V570-L606 HydrophobicContact CB-CD2 4.25Å; V570-L606 HydrophobicContact CG1-CD2 3.08Å; K603-L606 WeakPolarHBondContact O-CB 3.5Å; K603-L606 PolarHBondContact O-N 2.84Å; K603-L606 VanDerWaalsContact O-N 3.12Å; L606-T610 HydrophobicContact CB-CG2 4.32Å; L606-T610 HydrophobicContact CD1-CG2 4.13Å; L606-T610 HydrophobicContact CD2-CG2 4.09Å; L606-T610 HydrophobicContact CG-CG2 4.42Å; L606-Q611 HydrophobicContact CB-CG 3.93Å; L606-Q611 PolarHBondContact O-NE2 2.97Å; L606-I614 HydrophobicContact CD1-CD1 3.17Å
607	S	43.2	Very low	46.7	Very low	57 Å²	57	59.5 Å²	59.5	40%	0.399	32%	0.317	S	S	.	.			trans	-58.6	154.5	167.9	71.6	0	0	0	0	110.7	E609 T610 Q611	S607-E609 PolarHBondContact O-N 2.94Å; S607-T610 PolarHBondContact O-N 3.49Å; S607-T610 PolarHBondContact OG-N 2.87Å; S607-T610 PolarHBondContact OG-OG1 3.3Å; S607-Q611 WeakPolarHBondContact O-CG 3.42Å; S607-Q611 PolarHBondContact O-N 3.07Å
608	A	48.3	Very low	46.5	Very low	78 Å²	78	62.1 Å²	62.1	65%	0.645	33%	0.327	S	S	*	.	H	α-helix	trans	-55.9	-34.5	178.9	0	0	0	0	0	112.7	Q611 L612	A608-Q611 PolarHBondContact O-N 3.11Å; A608-L612 PolarHBondContact O-N 3.4Å; A608-L612 VanDerWaalsContact O-N 3.11Å
609	E	41.3	Very low	46.7	Very low	151 Å²	151	67.4 Å²	67.4	71%	0.706	36%	0.355	S	S	*	.	H	α-helix	trans	-63.1	-45.8	174.1	-73.9	-179.6	157.3	0	0	112.2	S607 Q611 L612 A613	S607-E609 PolarHBondContact O-N 2.94Å; E609-Q611 VanDerWaalsContact C-N 3.34Å; E609-Q611 PolarHBondContact O-N 3.42Å; E609-L612 WeakPolarHBondContact O-CB 3.23Å; E609-L612 PolarHBondContact O-N 2.98Å; E609-L612 VanDerWaalsContact O-N 3.15Å; E609-A613 PolarHBondContact O-N 3.34Å
610	T	39.7	Very low	46.7	Very low	7 Å²	7	73 Å²	73	4%	0.043	38%	0.38	C	S	.	.	H	α-helix	trans	-67.4	-37	179.1	-50.6	0	0	0	0	111.2	H574 L606 S607 L612 A613 I614	H574-T610 HydrophobicContact CB-CG2 4.4Å; L606-T610 HydrophobicContact CB-CG2 4.32Å; L606-T610 HydrophobicContact CD1-CG2 4.13Å; L606-T610 HydrophobicContact CD2-CG2 4.09Å; L606-T610 HydrophobicContact CG-CG2 4.42Å; S607-T610 PolarHBondContact O-N 3.49Å; S607-T610 PolarHBondContact OG-N 2.87Å; S607-T610 PolarHBondContact OG-OG1 3.3Å; T610-L612 PolarHBondContact O-N 3.13Å; T610-A613 WeakPolarHBondContact O-CB 3.29Å; T610-A613 PolarHBondContact O-N 2.85Å; T610-I614 WeakPolarHBondContact O-CG1 3.37Å; T610-I614 PolarHBondContact O-N 2.81Å
611	Q	49.2	Very low	46.6	Very low	67 Å²	67	71.3 Å²	71.3	31%	0.313	37%	0.373	S	S	.	.	H	α-helix	trans	-60.5	-36.7	172.7	-64.7	-176.4	1	0	0	112.1	K603 L606 S607 A608 E609 R615	K603-Q611 HydrophobicContact CG-CG 3.89Å; K603-Q611 PolarHBondContact O-NE2 3.43Å; L606-Q611 HydrophobicContact CB-CG 3.93Å; L606-Q611 PolarHBondContact O-NE2 2.97Å; S607-Q611 WeakPolarHBondContact O-CG 3.42Å; S607-Q611 PolarHBondContact O-N 3.07Å; A608-Q611 PolarHBondContact O-N 3.11Å; E609-Q611 VanDerWaalsContact C-N 3.34Å; E609-Q611 PolarHBondContact O-N 3.42Å; Q611-R615 PolarHBondContact O-N 3.49Å
612	L	51.2	Low	46.5	Very low	104 Å²	104	73.6 Å²	73.6	55%	0.545	40%	0.399	S	S	.	.	H	α-helix	trans	-70.8	-38.5	177.4	-159.9	140.8	0	0	0	111.4	A608 E609 T610 R615 N616	A608-L612 PolarHBondContact O-N 3.4Å; A608-L612 VanDerWaalsContact O-N 3.11Å; E609-L612 WeakPolarHBondContact O-CB 3.23Å; E609-L612 PolarHBondContact O-N 2.98Å; E609-L612 VanDerWaalsContact O-N 3.15Å; T610-L612 PolarHBondContact O-N 3.13Å; L612-R615 WeakPolarHBondContact O-CB 3.47Å; L612-R615 PolarHBondContact O-N 2.6Å; L612-N616 PolarHBondContact O-N 2.91Å
613	A	42.3	Very low	46.7	Very low	38 Å²	38	75 Å²	75	31%	0.314	41%	0.408	S	S	.	.	H	α-helix	trans	-61	-45.3	172.5	0	0	0	0	0	112.2	E609 T610 R615 N616 F617	E609-A613 PolarHBondContact O-N 3.34Å; T610-A613 WeakPolarHBondContact O-CB 3.29Å; T610-A613 PolarHBondContact O-N 2.85Å; A613-R615 VanDerWaalsContact C-N 3.29Å; A613-R615 PolarHBondContact O-N 3.29Å; A613-N616 PolarHBondContact O-N 3.27Å; A613-F617 PolarHBondContact O-N 2.87Å
614	I	44.8	Very low	46.6	Very low	31 Å²	31	76.3 Å²	76.3	16%	0.159	42%	0.423	C	S	.	.	H	α-helix	trans	-60.1	-41.5	174.3	-68.9	174.9	0	0	0	110.9	H574 L606 T610 N616 F617 K618	H574-I614 WeakPolarHBondContact NE2-CG1 3.45Å; L606-I614 HydrophobicContact CD1-CD1 3.17Å; T610-I614 WeakPolarHBondContact O-CG1 3.37Å; T610-I614 PolarHBondContact O-N 2.81Å; I614-N616 VanDerWaalsContact C-N 3.32Å; I614-N616 PolarHBondContact O-N 2.97Å; I614-F617 PolarHBondContact O-N 2.9Å; I614-K618 WeakPolarHBondContact O-CB 3.42Å; I614-K618 PolarHBondContact O-N 3.16Å
615	R	53.4	Low	46.2	Very low	181 Å²	181	76.3 Å²	76.3	68%	0.683	41%	0.408	S	S	*	.	H	α-helix	trans	-62.7	-40.7	178	-155.8	-178.4	-163	172.4	4.4	111.6	Q611 L612 A613 K618 L619	Q611-R615 PolarHBondContact O-N 3.49Å; L612-R615 WeakPolarHBondContact O-CB 3.47Å; L612-R615 PolarHBondContact O-N 2.6Å; A613-R615 VanDerWaalsContact C-N 3.29Å; A613-R615 PolarHBondContact O-N 3.29Å; R615-K618 WeakPolarHBondContact O-CB 3.27Å; R615-K618 PolarHBondContact O-N 2.99Å; R615-L619 WeakPolarHBondContact O-CG 3.46Å; R615-L619 PolarHBondContact O-N 3.48Å; R615-L619 VanDerWaalsContact O-N 3.15Å
616	N	51.1	Low	46.4	Very low	83 Å²	83	76 Å²	76	44%	0.444	41%	0.412	S	S	.	.	H	α-helix	trans	-67.3	-39.9	174.7	-73.3	-16.7	0	0	0	111.9	L612 A613 I614 L619 Q620	L612-N616 PolarHBondContact O-N 2.91Å; A613-N616 PolarHBondContact O-N 3.27Å; I614-N616 VanDerWaalsContact C-N 3.32Å; I614-N616 PolarHBondContact O-N 2.97Å; N616-L619 WeakPolarHBondContact O-CB 3.4Å; N616-L619 PolarHBondContact O-N 3.49Å; N616-Q620 PolarHBondContact O-N 3.06Å; N616-Q620 VanDerWaalsContact O-N 3.1Å
617	F	43.1	Very low	46.5	Very low	19 Å²	19	83.4 Å²	83.4	8%	0.083	45%	0.446	C	S	.	.	H	α-helix	trans	-65.3	-37.7	175.2	-171.9	-120.7	0	0	0	112.3	T578 A581 K582 V596 A613 I614 L619 Q620 I621	T578-F617 HydrophobicContact CG2-CD2 3.69Å; T578-F617 HydrophobicContact CG2-CE1 4.45Å; T578-F617 HydrophobicContact CG2-CE2 3.58Å; T578-F617 HydrophobicContact CG2-CG 4.22Å; T578-F617 HydrophobicContact CG2-CZ 3.98Å; A581-F617 HydrophobicContact CB-CZ 4.2Å; K582-F617 HydrophobicContact CG-CE2 4.03Å; V596-F617 HydrophobicContact CG1-CE1 3.81Å; A613-F617 PolarHBondContact O-N 2.87Å; I614-F617 PolarHBondContact O-N 2.9Å; F617-L619 VanDerWaalsContact C-N 3.31Å; F617-L619 PolarHBondContact O-N 3.11Å; F617-Q620 WeakPolarHBondContact O-CB 3.24Å; F617-Q620 PolarHBondContact O-N 2.87Å; F617-I621 HydrophobicContact CD1-CD1 3.56Å; F617-I621 HydrophobicContact CD1-CG1 4.45Å; F617-I621 HydrophobicContact CD2-CD1 4.48Å; F617-I621 HydrophobicContact CE1-CD1 3.2Å; F617-I621 HydrophobicContact CE1-CG1 4.16Å; F617-I621 HydrophobicContact CE2-CD1 4.16Å; F617-I621 HydrophobicContact CE2-CG1 4.26Å; F617-I621 HydrophobicContact CG-CD1 4.21Å; F617-I621 HydrophobicContact CZ-CD1 3.53Å; F617-I621 HydrophobicContact CZ-CG1 4.05Å; F617-I621 WeakPolarHBondContact O-CG1 3.39Å; F617-I621 PolarHBondContact O-N 3.48Å
618	K	47.2	Very low	46.4	Very low	90 Å²	90	84.4 Å²	84.4	39%	0.391	45%	0.453	S	S	.	.	H	α-helix	trans	-59.3	-39.6	171.3	176.6	175.5	169.1	166.4	0	112.3	I614 R615 Q620 W625	I614-K618 WeakPolarHBondContact O-CB 3.42Å; I614-K618 PolarHBondContact O-N 3.16Å; R615-K618 WeakPolarHBondContact O-CB 3.27Å; R615-K618 PolarHBondContact O-N 2.99Å; K618-Q620 VanDerWaalsContact C-N 3.31Å; K618-W625 HydrophobicContact CD-CE3 4.37Å; K618-W625 HydrophobicContact CD-CH2 4.18Å; K618-W625 HydrophobicContact CD-CZ3 3.58Å; K618-W625 VanDerWaalsContact CE-CE3 3.41Å; K618-W625 HydrophobicContact CG-CZ3 4.29Å; K618-W625 VanDerWaalsContact NZ-CE3 3.29Å
619	L	54	Low	46	Very low	135 Å²	135	82.1 Å²	82.1	71%	0.707	43%	0.43	S	S	*	.	H	α-helix	trans	-65.5	-34.3	173.6	-69.6	169	0	0	0	111.8	R615 N616 F617	R615-L619 WeakPolarHBondContact O-CG 3.46Å; R615-L619 PolarHBondContact O-N 3.48Å; R615-L619 VanDerWaalsContact O-N 3.15Å; N616-L619 WeakPolarHBondContact O-CB 3.4Å; N616-L619 PolarHBondContact O-N 3.49Å; F617-L619 VanDerWaalsContact C-N 3.31Å; F617-L619 PolarHBondContact O-N 3.11Å
620	Q	47.4	Very low	46.2	Very low	135 Å²	135	78.7 Å²	78.7	63%	0.631	41%	0.414	S	S	*	.	H	α-helix	trans	-72.5	-37.7	177.8	-72.5	-177.2	-14.5	0	0	113.6	N616 F617 K618 G622	N616-Q620 PolarHBondContact O-N 3.06Å; N616-Q620 VanDerWaalsContact O-N 3.1Å; F617-Q620 WeakPolarHBondContact O-CB 3.24Å; F617-Q620 PolarHBondContact O-N 2.87Å; K618-Q620 VanDerWaalsContact C-N 3.31Å; Q620-G622 PolarHBondContact O-N 3.28Å
621	I	44.6	Very low	46.5	Very low	20 Å²	20	83.4 Å²	83.4	10%	0.103	44%	0.438	C	S	.	.	H	α-helix	trans	-72.4	-19.5	-178.8	-63.9	165	0	0	0	112	L585 F617 T623	L585-I621 HydrophobicContact CD1-CG1 4.36Å; F617-I621 HydrophobicContact CD1-CD1 3.56Å; F617-I621 HydrophobicContact CD1-CG1 4.45Å; F617-I621 HydrophobicContact CD2-CD1 4.48Å; F617-I621 HydrophobicContact CE1-CD1 3.2Å; F617-I621 HydrophobicContact CE1-CG1 4.16Å; F617-I621 HydrophobicContact CE2-CD1 4.16Å; F617-I621 HydrophobicContact CE2-CG1 4.26Å; F617-I621 HydrophobicContact CG-CD1 4.21Å; F617-I621 HydrophobicContact CZ-CD1 3.53Å; F617-I621 HydrophobicContact CZ-CG1 4.05Å; F617-I621 WeakPolarHBondContact O-CG1 3.39Å; F617-I621 PolarHBondContact O-N 3.48Å; I621-T623 HydrophobicContact CG2-CG2 4.01Å; I621-T623 PolarHBondContact O-N 3.29Å
622	G	45.6	Very low	46.2	Very low	66 Å²	66	84.4 Å²	84.4	68%	0.68	45%	0.445	S	S	*	.			trans	66	10.7	166.5	0	0	0	0	0	116.6	Q620	Q620-G622 PolarHBondContact O-N 3.28Å
623	T	50.4	Low	45.7	Very low	49 Å²	49	80.8 Å²	80.8	30%	0.301	43%	0.426	S	S	.	.			trans	-94.2	132.9	-171.1	50.5	0	0	0	0	114.1	I621 W625	I621-T623 HydrophobicContact CG2-CG2 4.01Å; I621-T623 PolarHBondContact O-N 3.29Å; T623-W625 PolarHBondContact O-N 3.38Å
624	T	44.3	Very low	45.8	Very low	113 Å²	113	83 Å²	83	69%	0.693	43%	0.433	S	S	*	.			trans	-46.8	111.7	168.8	48.7	0	0	0	0	112.7	T626	T624-T626 PolarHBondContact O-N 2.76Å
625	W	41.5	Very low	45.9	Very low	96 Å²	96	85.6 Å²	85.6	36%	0.364	45%	0.447	S	S	.	.			trans	-62.3	119.6	165.6	-141	-87.7	0	0	0	108.4	I597 E600 K618 T623	I597-W625 HydrophobicContact CG2-CH2 3.52Å; I597-W625 HydrophobicContact CG2-CZ2 4.42Å; I597-W625 HydrophobicContact CG2-CZ3 3.69Å; E600-W625 WeakPolarHBondContact OE2-CH2 3.29Å; E600-W625 VanDerWaalsContact OE2-CZ2 3.3Å; E600-W625 WeakPolarHBondContact OE2-CZ2 3.47Å; K618-W625 HydrophobicContact CD-CE3 4.37Å; K618-W625 HydrophobicContact CD-CH2 4.18Å; K618-W625 HydrophobicContact CD-CZ3 3.58Å; K618-W625 VanDerWaalsContact CE-CE3 3.41Å; K618-W625 HydrophobicContact CG-CZ3 4.29Å; K618-W625 VanDerWaalsContact NZ-CE3 3.29Å; T623-W625 PolarHBondContact O-N 3.38Å
626	T	48.6	Very low	45.4	Very low	57 Å²	57	78.7 Å²	78.7	35%	0.35	42%	0.421	S	S	.	.			trans	-113.1	156	176.9	54.6	0	0	0	0	110.5	T624 S628 L629 Q630	T624-T626 PolarHBondContact O-N 2.76Å; T626-S628 WeakPolarHBondContact CB-OG 3.35Å; T626-S628 PolarHBondContact O-N 2.98Å; T626-S628 PolarHBondContact OG1-OG 3.06Å; T626-L629 VanDerWaalsContact O-CB 3.25Å; T626-L629 WeakPolarHBondContact O-CB 3.36Å; T626-L629 PolarHBondContact O-N 3.16Å; T626-L629 WeakPolarHBondContact OG1-CD1 3.45Å; T626-L629 WeakPolarHBondContact OG1-CG 3.24Å; T626-L629 PolarHBondContact OG1-N 2.83Å; T626-Q630 PolarHBondContact O-N 3.29Å
627	E	45.6	Very low	44.9	Very low	175 Å²	175	77.3 Å²	77.3	82%	0.818	41%	0.413	S	S	*	.	H	α-helix	trans	-57.2	-35.7	173	-83.1	-177.2	143.4	0	0	112.4	L629 Q630 L631	E627-L629 PolarHBondContact O-N 3.12Å; E627-Q630 WeakPolarHBondContact O-CB 3.38Å; E627-Q630 PolarHBondContact O-N 3.06Å; E627-L631 PolarHBondContact O-N 3.35Å
628	S	41	Very low	45.1	Very low	78 Å²	78	79.4 Å²	79.4	55%	0.545	43%	0.431	S	S	.	.	H	α-helix	trans	-60.9	-29.1	175	45.3	0	0	0	0	113.2	T626 L632	T626-S628 WeakPolarHBondContact CB-OG 3.35Å; T626-S628 PolarHBondContact O-N 2.98Å; T626-S628 PolarHBondContact OG1-OG 3.06Å; S628-L632 PolarHBondContact O-N 2.77Å
629	L	38.9	Very low	45	Very low	30 Å²	30	83.8 Å²	83.8	16%	0.157	45%	0.45	C	S	.	.	H	α-helix	trans	-72.6	-43.8	174.5	-83.4	168.8	0	0	0	112.2	S594 T626 E627 L631 L632 L633	S594-L629 WeakPolarHBondContact OG-CD2 3.5Å; T626-L629 VanDerWaalsContact O-CB 3.25Å; T626-L629 WeakPolarHBondContact O-CB 3.36Å; T626-L629 PolarHBondContact O-N 3.16Å; T626-L629 WeakPolarHBondContact OG1-CD1 3.45Å; T626-L629 WeakPolarHBondContact OG1-CG 3.24Å; T626-L629 PolarHBondContact OG1-N 2.83Å; E627-L629 PolarHBondContact O-N 3.12Å; L629-L631 VanDerWaalsContact C-N 3.27Å; L629-L631 PolarHBondContact O-N 2.76Å; L629-L632 PolarHBondContact O-N 2.8Å; L629-L633 PolarHBondContact O-N 2.86Å
630	Q	45.9	Very low	44.4	Very low	79 Å²	79	79.2 Å²	79.2	37%	0.369	43%	0.425	S	S	.	.	H	α-helix	trans	-59.2	-42.9	176.2	-159.4	73.5	19.8	0	0	110.6	T626 E627 L632 L633 D634	T626-Q630 PolarHBondContact O-N 3.29Å; E627-Q630 WeakPolarHBondContact O-CB 3.38Å; E627-Q630 PolarHBondContact O-N 3.06Å; Q630-L632 PolarHBondContact O-N 3.24Å; Q630-L633 WeakPolarHBondContact O-CB 3.25Å; Q630-L633 PolarHBondContact O-N 3.47Å; Q630-D634 VanDerWaalsContact O-CG 3.26Å; Q630-D634 PolarHBondContact O-N 2.6Å
631	L	46.3	Very low	44.3	Very low	106 Å²	106	79.3 Å²	79.3	56%	0.555	43%	0.425	S	S	*	.	H	α-helix	trans	-64.2	-35	178.1	-119.5	159.5	0	0	0	113.7	E627 L629 N635	E627-L631 PolarHBondContact O-N 3.35Å; L629-L631 VanDerWaalsContact C-N 3.27Å; L629-L631 PolarHBondContact O-N 2.76Å; L631-N635 WeakPolarHBondContact O-CB 3.28Å; L631-N635 PolarHBondContact O-N 3.19Å; L631-N635 VanDerWaalsContact O-N 3.08Å; L631-N635 PolarHBondContact O-ND2 3.28Å
632	L	42.9	Very low	44.2	Very low	88 Å²	88	84.9 Å²	84.9	46%	0.461	46%	0.455	S	S	.	.	H	α-helix	trans	-70.1	-38.5	174.1	-91.7	162.4	0	0	0	111.7	S628 L629 Q630 Y636	S628-L632 PolarHBondContact O-N 2.77Å; L629-L632 PolarHBondContact O-N 2.8Å; Q630-L632 PolarHBondContact O-N 3.24Å; L632-Y636 WeakPolarHBondContact O-CB 3.44Å; L632-Y636 PolarHBondContact O-N 2.65Å
633	L	40.1	Very low	44	Very low	28 Å²	28	84.1 Å²	84.1	15%	0.147	43%	0.434	C	S	.	.	H	α-helix	trans	-62.4	-49	174.5	-172.3	73.2	0	0	0	110.7	L598 L629 Q630 N635 Y636 L637	L598-L633 HydrophobicContact CD2-CD1 3.7Å; L598-L633 HydrophobicContact CG-CD1 3.84Å; L629-L633 PolarHBondContact O-N 2.86Å; Q630-L633 WeakPolarHBondContact O-CB 3.25Å; Q630-L633 PolarHBondContact O-N 3.47Å; L633-N635 VanDerWaalsContact C-N 3.34Å; L633-N635 PolarHBondContact O-N 2.87Å; L633-Y636 PolarHBondContact O-N 3.35Å; L633-Y636 VanDerWaalsContact O-N 3.11Å; L633-L637 HydrophobicContact CD2-CD1 4.44Å; L633-L637 HydrophobicContact CG-CD1 3.96Å; L633-L637 HydrophobicContact CG-CG 4.43Å; L633-L637 WeakPolarHBondContact O-CB 3.29Å; L633-L637 VanDerWaalsContact O-CG 3.3Å; L633-L637 WeakPolarHBondContact O-CG 3.31Å; L633-L637 PolarHBondContact O-N 2.8Å
634	D	45.9	Very low	43.7	Very low	83 Å²	83	83.7 Å²	83.7	44%	0.444	43%	0.43	S	S	.	.	H	α-helix	trans	-62.8	-39.7	179.8	-64.8	-21	0	0	0	111.8	Q630 Y636 S638	Q630-D634 VanDerWaalsContact O-CG 3.26Å; Q630-D634 PolarHBondContact O-N 2.6Å; D634-Y636 VanDerWaalsContact C-N 3.33Å; D634-Y636 PolarHBondContact O-N 3.49Å; D634-S638 WeakPolarHBondContact O-CB 3.11Å; D634-S638 PolarHBondContact O-N 2.89Å; D634-S638 PolarHBondContact O-OG 3.32Å
635	N	45.8	Very low	43.6	Very low	87 Å²	87	80 Å²	80	47%	0.465	41%	0.409	S	S	.	.	H	α-helix	trans	-68.3	-29.3	174.6	-84.1	-53	0	0	0	113.6	L631 L633 S638 K639	L631-N635 WeakPolarHBondContact O-CB 3.28Å; L631-N635 PolarHBondContact O-N 3.19Å; L631-N635 VanDerWaalsContact O-N 3.08Å; L631-N635 PolarHBondContact O-ND2 3.28Å; L633-N635 VanDerWaalsContact C-N 3.34Å; L633-N635 PolarHBondContact O-N 2.87Å; N635-S638 WeakPolarHBondContact CA-OG 3.32Å; N635-S638 PolarHBondContact O-OG 3.38Å; N635-S638 VanDerWaalsContact O-OG 3.06Å; N635-K639 WeakPolarHBondContact O-CG 3.41Å; N635-K639 PolarHBondContact O-N 2.9Å
636	Y	42.6	Very low	43.6	Very low	35 Å²	35	78.9 Å²	78.9	14%	0.137	42%	0.415	C	S	.	.	H	α-helix	trans	-76.4	-48.5	175.2	-176.4	-82	0	0	0	111	L598 L632 L633 D634 S638 K639 E640	L598-Y636 HydrophobicContact CD1-CD2 3.94Å; L598-Y636 HydrophobicContact CD1-CE2 4.42Å; L598-Y636 HydrophobicContact CD1-CG 4.02Å; L598-Y636 HydrophobicContact CD2-CD1 3.17Å; L598-Y636 HydrophobicContact CD2-CD2 3.98Å; L598-Y636 HydrophobicContact CD2-CE1 3.63Å; L598-Y636 HydrophobicContact CD2-CE2 4.33Å; L598-Y636 HydrophobicContact CD2-CG 3.37Å; L598-Y636 HydrophobicContact CG-CD1 4.48Å; L598-Y636 HydrophobicContact CG-CG 4.33Å; L632-Y636 WeakPolarHBondContact O-CB 3.44Å; L632-Y636 PolarHBondContact O-N 2.65Å; L633-Y636 PolarHBondContact O-N 3.35Å; L633-Y636 VanDerWaalsContact O-N 3.11Å; D634-Y636 VanDerWaalsContact C-N 3.33Å; D634-Y636 PolarHBondContact O-N 3.49Å; Y636-S638 PolarHBondContact O-N 2.94Å; Y636-K639 PolarHBondContact O-N 3.48Å; Y636-E640 HydrophobicContact CE1-CB 4.28Å; Y636-E640 HydrophobicContact CE1-CG 4.11Å; Y636-E640 WeakPolarHBondContact CE1-OE2 3.32Å; Y636-E640 PolarHBondContact O-N 3.48Å; Y636-E640 PolarHBondContact OH-OE1 2.8Å; Y636-E640 PolarHBondContact OH-OE2 3.47Å
637	L	42.1	Very low	43.2	Very low	54 Å²	54	76.9 Å²	76.9	28%	0.283	40%	0.402	S	S	.	.	H	α-helix	trans	-56.2	-38.7	177.6	-73.8	172	0	0	0	111.9	L633 E641 I644	L633-L637 HydrophobicContact CD2-CD1 4.44Å; L633-L637 HydrophobicContact CG-CD1 3.96Å; L633-L637 HydrophobicContact CG-CG 4.43Å; L633-L637 WeakPolarHBondContact O-CB 3.29Å; L633-L637 VanDerWaalsContact O-CG 3.3Å; L633-L637 WeakPolarHBondContact O-CG 3.31Å; L633-L637 PolarHBondContact O-N 2.8Å; L637-E641 WeakPolarHBondContact O-CA 3.27Å; L637-E641 PolarHBondContact O-N 3.31Å; L637-I644 HydrophobicContact CD2-CD1 3.49Å; L637-I644 VanDerWaalsContact CD2-CD1 3.49Å
638	S	45.6	Very low	43.2	Very low	64 Å²	64	72.2 Å²	72.2	45%	0.448	39%	0.389	S	S	.	.	H	α-helix	trans	-71.7	-31.7	175.4	52.9	0	0	0	0	113.9	D634 N635 Y636	D634-S638 WeakPolarHBondContact O-CB 3.11Å; D634-S638 PolarHBondContact O-N 2.89Å; D634-S638 PolarHBondContact O-OG 3.32Å; N635-S638 WeakPolarHBondContact CA-OG 3.32Å; N635-S638 PolarHBondContact O-OG 3.38Å; N635-S638 VanDerWaalsContact O-OG 3.06Å; Y636-S638 PolarHBondContact O-N 2.94Å
639	K	45.7	Very low	43.2	Very low	182 Å²	182	78.6 Å²	78.6	79%	0.791	40%	0.401	S	S	*	.	H	α-helix	trans	-77.5	-33.4	176.9	-80.6	-176.9	177.9	-179.3	0	113.3	N635 Y636	N635-K639 WeakPolarHBondContact O-CG 3.41Å; N635-K639 PolarHBondContact O-N 2.9Å; Y636-K639 PolarHBondContact O-N 3.48Å
640	E	42.4	Very low	43.3	Very low	39 Å²	39	80.4 Å²	80.4	18%	0.182	41%	0.413	C	S	.	.	S	Bend	trans	-99.4	14.7	178.1	-71.1	-162.1	173	0	0	113.4	Y636 L642 L643 I644	Y636-E640 HydrophobicContact CE1-CB 4.28Å; Y636-E640 HydrophobicContact CE1-CG 4.11Å; Y636-E640 WeakPolarHBondContact CE1-OE2 3.32Å; Y636-E640 PolarHBondContact O-N 3.48Å; Y636-E640 PolarHBondContact OH-OE1 2.8Å; Y636-E640 PolarHBondContact OH-OE2 3.47Å; E640-L642 PolarHBondContact O-N 3.33Å; E640-L643 HydrophobicContact CB-CB 4.31Å; E640-L643 HydrophobicContact CG-CD1 4.15Å; E640-L643 WeakPolarHBondContact O-CA 3.37Å; E640-L643 WeakPolarHBondContact O-CB 3.3Å; E640-L643 PolarHBondContact O-N 2.98Å; E640-I644 PolarHBondContact O-N 3.37Å
641	E	44.9	Very low	42.7	Very low	136 Å²	136	80.6 Å²	80.6	64%	0.636	43%	0.428	S	S	*	.	H	α-helix	trans	-51.9	-34.9	-179.7	-152.7	176.7	-148.8	0	0	111.7	L637 S645	L637-E641 WeakPolarHBondContact O-CA 3.27Å; L637-E641 PolarHBondContact O-N 3.31Å; E641-S645 WeakPolarHBondContact O-CA 3.43Å; E641-S645 WeakPolarHBondContact O-CB 3.49Å; E641-S645 PolarHBondContact O-N 2.97Å; E641-S645 PolarHBondContact O-OG 3.47Å
642	L	42.5	Very low	42.3	Very low	138 Å²	138	80.5 Å²	80.5	72%	0.723	43%	0.434	S	S	*	.	H	α-helix	trans	-64.3	-47.3	172.4	-97	160.7	0	0	0	113.3	E640 S645 C646	E640-L642 PolarHBondContact O-N 3.33Å; L642-S645 WeakPolarHBondContact CA-OG 3.35Å; L642-S645 PolarHBondContact O-N 3.48Å; L642-S645 PolarHBondContact O-OG 3.29Å; L642-C646 PolarHBondContact O-N 3.45Å; L642-C646 PolarHBondContact O-SG 3.3Å
643	L	40.7	Very low	41.8	Very low	49 Å²	49	80 Å²	80	26%	0.257	44%	0.442	S	S	.	.	H	α-helix	trans	-64.5	-43.2	178	-91.9	154.8	0	0	0	111.4	L545 V548 E640 C646 L647	L545-L643 HydrophobicContact CD2-CD1 4.09Å; L545-L643 HydrophobicContact CD2-CD2 3.91Å; V548-L643 HydrophobicContact CG1-CD2 4.24Å; V548-L643 HydrophobicContact CG2-CD2 4.21Å; E640-L643 HydrophobicContact CB-CB 4.31Å; E640-L643 HydrophobicContact CG-CD1 4.15Å; E640-L643 WeakPolarHBondContact O-CA 3.37Å; E640-L643 WeakPolarHBondContact O-CB 3.3Å; E640-L643 PolarHBondContact O-N 2.98Å; L643-C646 WeakPolarHBondContact O-CB 3.33Å; L643-C646 PolarHBondContact O-N 3.45Å; L643-L647 WeakPolarHBondContact O-CG 3.49Å; L643-L647 PolarHBondContact O-N 3.34Å; L643-L647 VanDerWaalsContact O-N 3.12Å
644	I	43.3	Very low	41.3	Very low	40 Å²	40	84.3 Å²	84.3	21%	0.205	48%	0.475	C	S	.	.	H	α-helix	trans	-68.9	-35.7	176.2	-60.4	174.7	0	0	0	110.8	F605 L637 E640 C646 L647 S648	F605-I644 HydrophobicContact CE2-CG2 4.46Å; L637-I644 HydrophobicContact CD2-CD1 3.49Å; L637-I644 VanDerWaalsContact CD2-CD1 3.49Å; E640-I644 PolarHBondContact O-N 3.37Å; I644-C646 VanDerWaalsContact C-N 3.33Å; I644-C646 PolarHBondContact O-N 3.42Å; I644-L647 WeakPolarHBondContact O-CB 3.09Å; I644-L647 PolarHBondContact O-N 2.95Å; I644-S648 PolarHBondContact O-N 3Å; I644-S648 PolarHBondContact O-OG 3.08Å
645	S	42.9	Very low	40.5	Very low	35 Å²	35	87.2 Å²	87.2	25%	0.245	49%	0.49	C	S	.	.	H	α-helix	trans	-66.2	-35.3	174.5	79.1	0	0	0	0	112.4	E641 L642 L647 S648 R649	E641-S645 WeakPolarHBondContact O-CA 3.43Å; E641-S645 WeakPolarHBondContact O-CB 3.49Å; E641-S645 PolarHBondContact O-N 2.97Å; E641-S645 PolarHBondContact O-OG 3.47Å; L642-S645 WeakPolarHBondContact CA-OG 3.35Å; L642-S645 PolarHBondContact O-N 3.48Å; L642-S645 PolarHBondContact O-OG 3.29Å; S645-L647 VanDerWaalsContact C-N 3.3Å; S645-S648 WeakPolarHBondContact CA-OG 3.38Å; S645-S648 PolarHBondContact O-N 3.36Å; S645-S648 PolarHBondContact O-OG 3.46Å; S645-R649 VanDerWaalsContact O-CB 3.29Å; S645-R649 WeakPolarHBondContact O-CB 3.34Å; S645-R649 WeakPolarHBondContact O-CG 3.43Å; S645-R649 PolarHBondContact O-N 3.3Å
646	C	42.7	Very low	39.6	Very low	73 Å²	73	93.1 Å²	93.1	49%	0.493	53%	0.53	S	S	.	.	H	α-helix	trans	-64.6	-37.6	172.3	-71.4	0	0	0	0	111	L642 L643 I644	L642-C646 PolarHBondContact O-N 3.45Å; L642-C646 PolarHBondContact O-SG 3.3Å; L643-C646 WeakPolarHBondContact O-CB 3.33Å; L643-C646 PolarHBondContact O-N 3.45Å; I644-C646 VanDerWaalsContact C-N 3.33Å; I644-C646 PolarHBondContact O-N 3.42Å
647	L	40.3	Very low	39.5	Very low	16 Å²	16	96.1 Å²	96.1	8%	0.084	55%	0.55	C	S	.	.	H	α-helix	trans	-67.4	-36.2	173.4	-69.3	171	0	0	0	112.3	V548 F605 L643 I644 S645	V548-L647 HydrophobicContact CG2-CD1 4.23Å; V548-L647 HydrophobicContact CG2-CD2 3.89Å; V548-L647 HydrophobicContact CG2-CG 4.17Å; F605-L647 HydrophobicContact CD1-CB 4.39Å; F605-L647 HydrophobicContact CD2-CD1 4.43Å; F605-L647 HydrophobicContact CE1-CB 3.66Å; F605-L647 WeakPolarHBondContact CE1-O 3.34Å; F605-L647 HydrophobicContact CE2-CB 3.89Å; F605-L647 HydrophobicContact CE2-CD1 4.1Å; F605-L647 HydrophobicContact CZ-CB 3.36Å; F605-L647 HydrophobicContact CZ-CD1 4.43Å; F605-L647 HydrophobicContact CZ-CG 4.49Å; L643-L647 WeakPolarHBondContact O-CG 3.49Å; L643-L647 PolarHBondContact O-N 3.34Å; L643-L647 VanDerWaalsContact O-N 3.12Å; I644-L647 WeakPolarHBondContact O-CB 3.09Å; I644-L647 PolarHBondContact O-N 2.95Å; S645-L647 VanDerWaalsContact C-N 3.3Å
648	S	45.5	Very low	39.3	Very low	77 Å²	77	98.3 Å²	98.3	54%	0.538	56%	0.564	S	S	.	*	H	α-helix	trans	-83.9	-22.1	-176.3	70.1	0	0	0	0	115.2	I644 S645	I644-S648 PolarHBondContact O-N 3Å; I644-S648 PolarHBondContact O-OG 3.08Å; S645-S648 WeakPolarHBondContact CA-OG 3.38Å; S645-S648 PolarHBondContact O-N 3.36Å; S645-S648 PolarHBondContact O-OG 3.46Å
649	R	40.8	Very low	39	Very low	211 Å²	211	100.2 Å²	100.2	80%	0.796	57%	0.57	S	S	*	*	S	Bend	trans	-87.2	4.1	-168.5	-87.5	-172.8	171.4	-173.9	-0.4	117.8	S645	S645-R649 VanDerWaalsContact O-CB 3.29Å; S645-R649 WeakPolarHBondContact O-CB 3.34Å; S645-R649 WeakPolarHBondContact O-CG 3.43Å; S645-R649 PolarHBondContact O-N 3.3Å
650	V	41.3	Very low	38.6	Very low	69 Å²	69	95.4 Å²	95.4	42%	0.418	56%	0.557	S	S	.	*			trans	-126.1	45.8	-173	-158.7	0	0	0	0	114	F555 P652	F555-V650 HydrophobicContact CD1-CG1 4.15Å; F555-V650 HydrophobicContact CE1-CB 4.44Å; F555-V650 HydrophobicContact CE1-CG1 3.86Å; F555-V650 HydrophobicContact CE2-CB 4.39Å; F555-V650 HydrophobicContact CZ-CB 4.14Å; F555-V650 HydrophobicContact CZ-CG1 4.07Å; F555-V650 VanDerWaalsContact CZ-O 3.26Å; F555-V650 WeakPolarHBondContact CZ-O 3.31Å; V650-P652 VanDerWaalsContact C-CD 3.46Å; V650-P652 VanDerWaalsContact O-CD 3.24Å; V650-P652 WeakPolarHBondContact O-CD 3.46Å
651	A	32.3	Very low	38.4	Very low	82 Å²	82	98.9 Å²	98.9	68%	0.678	58%	0.581	S	S	*	*			trans	-96.6	92.5	147.8	0	0	0	0	0	107.4	A653	A651-A653 PolarHBondContact O-N 3.35Å; A651-A653 VanDerWaalsContact O-N 3.15Å
652	P	37.1	Very low	37.9	Very low	104 Å²	104	96.4 Å²	96.4	68%	0.675	58%	0.577	S	S	*	*			trans	-58.5	120.5	155.2	-6.5	21.2	0	0	0	105.3	V650 S654	V650-P652 VanDerWaalsContact C-CD 3.46Å; V650-P652 VanDerWaalsContact O-CD 3.24Å; V650-P652 WeakPolarHBondContact O-CD 3.46Å; P652-S654 PolarHBondContact O-N 3.37Å
653	A	33.4	Very low	37.6	Very low	78 Å²	78	93.4 Å²	93.4	65%	0.645	57%	0.567	S	S	*	*			trans	-47.9	131.8	168.4	0	0	0	0	0	107.5	A651 D655	A651-A653 PolarHBondContact O-N 3.35Å; A651-A653 VanDerWaalsContact O-N 3.15Å; A653-D655 PolarHBondContact O-N 3.29Å
654	S	29.5	Very low	37.4	Very low	119 Å²	119	96.8 Å²	96.8	83%	0.832	59%	0.59	S	S	*	*			trans	-59.7	87	169.2	52.8	0	0	0	0	108.2	P652 T656	P652-S654 PolarHBondContact O-N 3.37Å; S654-T656 PolarHBondContact O-N 2.94Å
655	D	28.2	Very low	36.9	Very low	143 Å²	143	101.6 Å²	101.6	77%	0.765	62%	0.622	S	S	*	*			trans	-73.5	102.1	158.8	-80.4	-22.8	0	0	0	105.7	A653	A653-D655 PolarHBondContact O-N 3.29Å
656	T	28.4	Very low	36.3	Very low	212 Å²	212	107.6 Å²	107.6	100%	1.301	66%	0.657	S	S	*	*			trans	73.1	0	164.4	60.9	0	0	0	0	119.6	S654	S654-T656 PolarHBondContact O-N 2.94Å

Retrieved 656 of 656 residues in 434.1 ms (Link to these results)

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