A0A093H736_STRCA Loading...

L-dopachrome tautomerase

Plays a role in melanin biosynthesis. Catalyzes the conversion of L-dopachrome into 5,6-dihydroxyindole-2-carboxylic acid (DHICA).

AlphaFold DB , UniProt , Accession A0A093H736, Species STRCA (Struthio camelus australis), Gene n/a, Length 522 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	34.9	Very low	253 Å²	253	164.5 Å²	164.5	100%	1.246	89%	0.894	S	S	*	*				0	122.4	0	-60.3	148.6	103.1	0	0	106.2
2	G	35.2	Very low	35.1	Very low	82 Å²	82	164.6 Å²	164.6	85%	0.845	89%	0.892	S	S	*	*			cis	145.3	100.3	7.7	0	0	0	0	0	107.8
3	S	34	Very low	34.7	Very low	124 Å²	124	156.3 Å²	156.3	87%	0.867	87%	0.869	S	S	*	*			trans	-151.3	118.2	173.7	-176.6	0	0	0	0	109.2
4	Q	37.5	Very low	34.7	Very low	199 Å²	199	161.9 Å²	161.9	93%	0.93	87%	0.872	S	S	*	*			trans	-97.5	145.5	168.6	-70.9	-179.1	-11.8	0	0	108.7
5	G	33.1	Very low	34.6	Very low	77 Å²	77	162.8 Å²	162.8	79%	0.794	87%	0.872	S	S	*	*			trans	179.7	62.2	176.4	0	0	0	0	0	111.8	L7	G5-L7 PolarHBondContact O-N 3.47Å
6	R	35.8	Very low	34.6	Very low	238 Å²	238	158.2 Å²	158.2	90%	0.898	86%	0.856	S	S	*	*			trans	-71.4	126.6	178.5	-66.7	176.9	177.9	172.1	-1.7	109.9
7	L	34.6	Very low	34.3	Very low	167 Å²	167	155.5 Å²	155.5	87%	0.874	85%	0.85	S	S	*	*			trans	-118.3	144.5	152.8	-134.4	80.1	0	0	0	109.1	G5	G5-L7 PolarHBondContact O-N 3.47Å
8	F	32.2	Very low	34.1	Very low	206 Å²	206	152.8 Å²	152.8	90%	0.904	84%	0.843	S	S	*	*			trans	-74.3	130.8	-163.8	-87.1	-115.5	0	0	0	113.2
9	W	32.8	Very low	33.8	Very low	238 Å²	238	150 Å²	150	90%	0.902	83%	0.834	S	S	*	*			trans	-86.6	113.9	157.6	-82	95.6	0	0	0	109.2	V11	W9-V11 PolarHBondContact O-N 3.39Å
10	A	34.8	Very low	33.5	Very low	95 Å²	95	147.7 Å²	147.7	79%	0.785	83%	0.826	S	S	*	*			trans	-82.8	102	169.8	0	0	0	0	0	109.5
11	V	38.5	Very low	33.3	Very low	131 Å²	131	146 Å²	146	79%	0.794	82%	0.822	S	S	*	*			trans	-80	120.4	167.4	175.4	0	0	0	0	108.3	W9	W9-V11 PolarHBondContact O-N 3.39Å
12	L	36.6	Very low	33	Very low	165 Å²	165	143.6 Å²	143.6	86%	0.864	80%	0.799	S	S	*	*			trans	-124	96.1	163.5	-101.4	161.1	0	0	0	108.1
13	G	30.4	Very low	32.7	Very low	57 Å²	57	142.3 Å²	142.3	59%	0.588	78%	0.775	S	S	*	*			trans	-71.6	128.2	177.7	0	0	0	0	0	110.8	M15	G13-M15 VanDerWaalsContact C-N 3.25Å; G13-M15 PolarHBondContact O-N 3.45Å
14	Y	34.8	Very low	32.9	Very low	235 Å²	235	137.8 Å²	137.8	92%	0.922	74%	0.739	S	S	*	*			trans	-68.5	86.2	164.9	-111.5	-98.5	0	0	0	109	S16	Y14-S16 PolarHBondContact O-N 3.21Å
15	M	32.5	Very low	32.7	Very low	175 Å²	175	128.3 Å²	128.3	86%	0.862	70%	0.695	S	S	*	*			trans	-69.6	86.5	163.2	-82.2	-66.5	-68.7	0	0	108	G13 C17	G13-M15 VanDerWaalsContact C-N 3.25Å; G13-M15 PolarHBondContact O-N 3.45Å; M15-C17 PolarHBondContact O-N 2.99Å
16	S	34.2	Very low	34.6	Very low	89 Å²	89	124.7 Å²	124.7	62%	0.622	66%	0.658	S	S	*	*			trans	-56.9	103.6	168.1	-179.1	0	0	0	0	108.4	Y14 C18	Y14-S16 PolarHBondContact O-N 3.21Å; S16-C18 PolarHBondContact O-N 3.03Å; S16-C18 PolarHBondContact OG-SG 3.34Å; S16-C18 VanDerWaalsContact OG-SG 3.36Å
17	C	29.6	Very low	37.3	Very low	112 Å²	112	113.5 Å²	113.5	76%	0.757	62%	0.615	S	S	*	*			trans	-75.3	81.6	176.4	-161.1	0	0	0	0	108.3	M15 C19	M15-C17 PolarHBondContact O-N 2.99Å; C17-C19 PolarHBondContact O-N 3.42Å
18	C	32.1	Very low	40.2	Very low	107 Å²	107	105.5 Å²	105.5	72%	0.723	57%	0.574	S	S	*	*			trans	-69.3	74.1	176	-63.1	0	0	0	0	110.2	S16 P20	S16-C18 PolarHBondContact O-N 3.03Å; S16-C18 PolarHBondContact OG-SG 3.34Å; S16-C18 VanDerWaalsContact OG-SG 3.36Å; C18-P20 WeakPolarHBondContact O-CD 3.49Å
19	C	28	Very low	43.1	Very low	100 Å²	100	98 Å²	98	68%	0.676	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-65.9	120.3	158.8	-69.2	0	0	0	0	107.2	C17	C17-C19 PolarHBondContact O-N 3.42Å
20	P	26.7	Very low	46.1	Very low	103 Å²	103	90.3 Å²	90.3	67%	0.669	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-62	136.7	174.5	26.3	-33.1	0	0	0	108.9	C18 R22	C18-P20 WeakPolarHBondContact O-CD 3.49Å; P20-R22 PolarHBondContact O-N 3.45Å; P20-R22 VanDerWaalsContact O-N 3.1Å
21	P	29.8	Very low	49	Very low	114 Å²	114	86 Å²	86	74%	0.74	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-63.2	116.3	179.9	25.7	-33.1	0	0	0	109.2	V23	P21-V23 WeakPolarHBondContact O-CG2 3.44Å
22	R	30.8	Very low	51.7	Low	202 Å²	202	79.9 Å²	79.9	76%	0.762	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-76.1	139.5	175.5	-68.9	-173	177.5	-177	-0.5	110.5	P20 R29	P20-R22 PolarHBondContact O-N 3.45Å; P20-R22 VanDerWaalsContact O-N 3.1Å; R22-R29 PolarHBondContact O-NH1 3.48Å
23	V	29	Very low	54.4	Low	55 Å²	55	74.7 Å²	74.7	33%	0.333	42%	0.421	S	S	.	.			trans	-123.3	129.4	-166.6	-173.4	0	0	0	0	106.2	P21 I178 A179 N180	P21-V23 WeakPolarHBondContact O-CG2 3.44Å; V23-I178 WeakPolarHBondContact O-CD1 3.47Å; V23-I178 WeakPolarHBondContact O-CG1 3.34Å; V23-A179 VanDerWaalsContact CG1-CA 3.48Å; V23-N180 HydrophobicContact CG1-CB 3.92Å
24	E	37.5	Very low	57.6	Low	28 Å²	28	73.3 Å²	73.3	13%	0.131	40%	0.401	C	S	.	.			trans	-141.7	-157.7	-164.6	-60.7	-178	-170.9	0	0	111.2	R29 M32 V159 I178 A179	E24-R29 HydrophobicContact CB-CB 4.13Å; E24-R29 HydrophobicContact CB-CG 3.84Å; E24-R29 HydrophobicContact CG-CG 4.01Å; E24-R29 WeakPolarHBondContact OE2-CA 3.31Å; E24-R29 WeakPolarHBondContact OE2-CG 3.46Å; E24-M32 HydrophobicContact CB-CB 4.09Å; E24-V159 VanDerWaalsContact C-CG2 3.46Å; E24-V159 HydrophobicContact CB-CG2 3.97Å; E24-V159 WeakPolarHBondContact O-CB 3.5Å; E24-V159 VanDerWaalsContact O-CG1 3.26Å; E24-V159 WeakPolarHBondContact O-CG1 3.3Å; E24-I178 HydrophobicContact CG-CD1 4.33Å; E24-I178 WeakPolarHBondContact O-CB 3.37Å; E24-A179 PolarHBondContact O-N 2.92Å
25	T	33.2	Very low	60.5	Low	0 Å²	0	68.5 Å²	68.5	0%	0	39%	0.387	C	S	.	.			trans	-123.3	-169.4	-173.5	89.8	0	0	0	0	122.8	F27 M32 V159 I160 A161 I178	T25-F27 CarbonylContact C-O 3.49Å; T25-F27 VanDerWaalsContact C-O 3.27Å; T25-F27 CarbonylContact O-C 3.33Å; T25-F27 PolarHBondContact O-N 3.27Å; T25-F27 VanDerWaalsContact O-N 3.16Å; T25-F27 PolarHBondContact OG1-N 3Å; T25-M32 HydrophobicContact CG2-CB 4.25Å; T25-M32 HydrophobicContact CG2-CE 3.28Å; T25-M32 HydrophobicContact CG2-CG 3.89Å; T25-M32 HydrophobicContact CG2-SD 4.2Å; T25-M32 WeakPolarHBondContact OG1-CE 3.43Å; T25-M32 WeakPolarHBondContact OG1-CG 3.49Å; T25-M32 PolarHBondContact OG1-SD 3.33Å; T25-V159 CarbonylContact C-O 3.47Å; T25-V159 CarbonylContact O-C 3.5Å; T25-V159 WeakPolarHBondContact O-CA 3.37Å; T25-V159 WeakPolarHBondContact O-CB 3.47Å; T25-V159 WeakPolarHBondContact O-CG2 3.47Å; T25-V159 PolarHBondContact O-N 3.29Å; T25-V159 VanDerWaalsContact O-O 3.09Å; T25-I160 VanDerWaalsContact C-N 3.28Å; T25-I160 WeakPolarHBondContact CA-O 3.48Å; T25-I160 VanDerWaalsContact CB-C 3.48Å; T25-I160 WeakPolarHBondContact CB-O 3.36Å; T25-A161 HydrophobicContact CG2-CB 3.98Å; T25-I178 HydrophobicContact CG2-CB 3.5Å; T25-I178 VanDerWaalsContact CG2-CB 3.5Å; T25-I178 HydrophobicContact CG2-CG2 2.97Å
26	Q	73.1	Confident	63.5	Low	2 Å²	2	60.8 Å²	60.8	1%	0.009	35%	0.351	C	S	.	.	S	Bend	trans	-45.5	-36	171.1	169.7	56.1	37.4	0	0	112.6	Y158 V159 I160 Y186 W189 P436	Q26-Y158 WeakPolarHBondContact O-CD1 3.42Å; Q26-V159 WeakPolarHBondContact CA-O 3.29Å; Q26-V159 VanDerWaalsContact N-C 3.32Å; Q26-V159 PolarHBondContact N-O 3.18Å; Q26-I160 VanDerWaalsContact N-CA 3.34Å; Q26-Y186 PolarHBondContact NE2-OH 2.98Å; Q26-W189 HydrophobicContact CB-CE3 4.41Å; Q26-W189 HydrophobicContact CB-CH2 3.9Å; Q26-W189 HydrophobicContact CB-CZ3 3.64Å; Q26-W189 HydrophobicContact CG-CE3 4.44Å; Q26-W189 HydrophobicContact CG-CH2 4.2Å; Q26-W189 HydrophobicContact CG-CZ3 3.6Å; Q26-P436 HydrophobicContact CG-CB 4.15Å; Q26-P436 HydrophobicContact CG-CG 4.29Å; Q26-P436 PolarHBondContact NE2-O 3.4Å
27	F	93	Very high	66.4	Low	2 Å²	2	57.3 Å²	57.3	1%	0.009	33%	0.325	C	S	.	.	S	Bend	trans	-82.1	150.9	170	-55.5	-81.8	0	0	0	109.8	T25 R29 M32 W88 P89 F92 F93 F438	T25-F27 CarbonylContact C-O 3.49Å; T25-F27 VanDerWaalsContact C-O 3.27Å; T25-F27 CarbonylContact O-C 3.33Å; T25-F27 PolarHBondContact O-N 3.27Å; T25-F27 VanDerWaalsContact O-N 3.16Å; T25-F27 PolarHBondContact OG1-N 3Å; F27-R29 PolarHBondContact O-N 3.49Å; F27-M32 HydrophobicContact CB-CG 4.05Å; F27-M32 HydrophobicContact CB-SD 3.69Å; F27-M32 HydrophobicContact CD2-CE 4.43Å; F27-M32 HydrophobicContact CD2-SD 3.71Å; F27-M32 HydrophobicContact CG-SD 4.09Å; F27-W88 AromaticContact CE1-CH2 3.66Å; F27-W88 HydrophobicContact CE1-CH2 3.66Å; F27-W88 AromaticContact CE1-CZ2 3.59Å; F27-W88 HydrophobicContact CE1-CZ2 3.59Å; F27-W88 HydrophobicContact CE2-CH2 4.03Å; F27-W88 AromaticContact CZ-CH2 3.19Å; F27-W88 HydrophobicContact CZ-CH2 3.19Å; F27-W88 AromaticContact CZ-CZ2 3.67Å; F27-W88 HydrophobicContact CZ-CZ2 3.67Å; F27-W88 AromaticContact CZ-CZ3 3.92Å; F27-W88 HydrophobicContact CZ-CZ3 3.92Å; F27-P89 HydrophobicContact CE1-CB 3.98Å; F27-P89 HydrophobicContact CZ-CB 4.34Å; F27-F92 HydrophobicContact CD2-CD1 4.48Å; F27-F92 HydrophobicContact CE1-CB 4.32Å; F27-F92 HydrophobicContact CE2-CB 3.73Å; F27-F92 AromaticContact CE2-CD1 3.52Å; F27-F92 HydrophobicContact CE2-CD1 3.52Å; F27-F92 AromaticContact CE2-CD2 3.86Å; F27-F92 HydrophobicContact CE2-CD2 3.86Å; F27-F92 HydrophobicContact CE2-CE1 4.03Å; F27-F92 HydrophobicContact CE2-CE2 4.34Å; F27-F92 AromaticContact CE2-CG 3.42Å; F27-F92 HydrophobicContact CE2-CG 3.42Å; F27-F92 VanDerWaalsContact CE2-CG 3.42Å; F27-F92 HydrophobicContact CE2-CZ 4.42Å; F27-F92 HydrophobicContact CZ-CB 3.54Å; F27-F92 HydrophobicContact CZ-CD1 4.04Å; F27-F92 AromaticContact CZ-CD2 3.53Å; F27-F92 HydrophobicContact CZ-CD2 3.53Å; F27-F92 HydrophobicContact CZ-CE2 4.22Å; F27-F92 AromaticContact CZ-CG 3.43Å; F27-F92 HydrophobicContact CZ-CG 3.43Å; F27-F92 VanDerWaalsContact CZ-CG 3.43Å; F27-F93 HydrophobicContact CB-CE2 3.8Å; F27-F93 AromaticContact CD1-CD2 3.63Å; F27-F93 HydrophobicContact CD1-CD2 3.63Å; F27-F93 AromaticContact CD1-CE2 3.65Å; F27-F93 HydrophobicContact CD1-CE2 3.65Å; F27-F93 HydrophobicContact CD2-CD2 4.31Å; F27-F93 AromaticContact CD2-CE2 3.7Å; F27-F93 HydrophobicContact CD2-CE2 3.7Å; F27-F93 AromaticContact CE1-CD2 3.74Å; F27-F93 HydrophobicContact CE1-CD2 3.74Å; F27-F93 HydrophobicContact CE1-CE2 4.09Å; F27-F93 HydrophobicContact CE2-CD2 4.4Å; F27-F93 HydrophobicContact CE2-CE2 4.13Å; F27-F93 AromaticContact CG-CD2 3.92Å; F27-F93 HydrophobicContact CG-CD2 3.92Å; F27-F93 AromaticContact CG-CE2 3.43Å; F27-F93 HydrophobicContact CG-CE2 3.43Å; F27-F93 VanDerWaalsContact CG-CE2 3.43Å; F27-F93 HydrophobicContact CZ-CD2 4.12Å; F27-F93 HydrophobicContact CZ-CE2 4.3Å; F27-F438 HydrophobicContact CD1-CB 4.02Å; F27-F438 HydrophobicContact CD1-CD1 4.4Å; F27-F438 AromaticContact CD1-CD2 3.47Å; F27-F438 HydrophobicContact CD1-CD2 3.47Å; F27-F438 VanDerWaalsContact CD1-CD2 3.47Å; F27-F438 HydrophobicContact CD1-CE2 4.01Å; F27-F438 AromaticContact CD1-CG 3.68Å; F27-F438 HydrophobicContact CD1-CG 3.68Å; F27-F438 HydrophobicContact CE1-CB 4.47Å; F27-F438 AromaticContact CE1-CD2 3.67Å; F27-F438 HydrophobicContact CE1-CD2 3.67Å; F27-F438 HydrophobicContact CE1-CE2 4.25Å; F27-F438 HydrophobicContact CE1-CG 4.24Å
28	P	94.2	Very high	69.6	Low	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.316	C	S	.	.			trans	-43.7	130.4	-178.1	-22.8	26.9	0	0	0	111.1	V30 C31 Y106 Y158 F438	P28-V30 VanDerWaalsContact C-N 3.25Å; P28-V30 HydrophobicContact CB-CG2 3.92Å; P28-V30 PolarHBondContact O-N 3.46Å; P28-V30 VanDerWaalsContact O-N 3.1Å; P28-C31 WeakPolarHBondContact O-CA 3.31Å; P28-C31 VanDerWaalsContact O-CB 3.3Å; P28-C31 WeakPolarHBondContact O-CB 3.29Å; P28-C31 PolarHBondContact O-N 2.85Å; P28-Y106 HydrophobicContact CB-CD1 4.21Å; P28-Y106 HydrophobicContact CB-CD2 3.61Å; P28-Y106 HydrophobicContact CB-CE2 3.99Å; P28-Y106 HydrophobicContact CB-CG 3.74Å; P28-Y106 HydrophobicContact CG-CD1 4.06Å; P28-Y106 HydrophobicContact CG-CD2 3.66Å; P28-Y106 HydrophobicContact CG-CG 3.4Å; P28-Y158 HydrophobicContact CB-CE1 4.41Å; P28-Y158 HydrophobicContact CG-CD1 4.33Å; P28-Y158 HydrophobicContact CG-CE1 3.75Å; P28-F438 HydrophobicContact CG-CD1 3.81Å; P28-F438 HydrophobicContact CG-CE1 4.04Å
29	R	94.1	Very high	72.7	Confident	47 Å²	47	58 Å²	58	18%	0.177	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-30.7	-62.4	178.8	178.5	170.8	-53.7	-74.5	-0.7	111.1	R22 E24 F27 C31 M32 H155 P156 D157 V159 N180	R22-R29 PolarHBondContact O-NH1 3.48Å; E24-R29 HydrophobicContact CB-CB 4.13Å; E24-R29 HydrophobicContact CB-CG 3.84Å; E24-R29 HydrophobicContact CG-CG 4.01Å; E24-R29 WeakPolarHBondContact OE2-CA 3.31Å; E24-R29 WeakPolarHBondContact OE2-CG 3.46Å; F27-R29 PolarHBondContact O-N 3.49Å; R29-C31 PolarHBondContact O-N 3.45Å; R29-M32 PolarHBondContact O-N 2.89Å; R29-H155 PolarHBondContact NH2-O 3.41Å; R29-P156 PolarHBondContact NE-O 3.37Å; R29-D157 WeakPolarHBondContact CB-O 3.35Å; R29-D157 PolarHBondContact N-O 2.89Å; R29-V159 HydrophobicContact CB-CG2 3.9Å; R29-N180 PolarHBondContact NH1-OD1 3.12Å; R29-N180 PolarHBondContact NH2-OD1 2.9Å
30	V	94.4	Very high	76	Confident	78 Å²	78	56.4 Å²	56.4	47%	0.473	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-48.1	-23.2	176.3	-62.6	0	0	0	0	117.5	P28 P44 Y106	P28-V30 VanDerWaalsContact C-N 3.25Å; P28-V30 HydrophobicContact CB-CG2 3.92Å; P28-V30 PolarHBondContact O-N 3.46Å; P28-V30 VanDerWaalsContact O-N 3.1Å; V30-P44 HydrophobicContact CB-CB 4.32Å; V30-P44 HydrophobicContact CG2-CB 3.59Å; V30-P44 HydrophobicContact CG2-CG 3.77Å; V30-Y106 HydrophobicContact CG2-CD2 4.47Å; V30-Y106 HydrophobicContact CG2-CE2 3.96Å
31	C	95.8	Very high	79.4	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.02	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-93.4	-11.2	177.3	-65.6	0	0	0	0	114	P28 R29 T33 A36 C42 F93	P28-C31 WeakPolarHBondContact O-CA 3.31Å; P28-C31 VanDerWaalsContact O-CB 3.3Å; P28-C31 WeakPolarHBondContact O-CB 3.29Å; P28-C31 PolarHBondContact O-N 2.85Å; R29-C31 PolarHBondContact O-N 3.45Å; C31-T33 PolarHBondContact O-N 2.86Å; C31-T33 VanDerWaalsContact O-N 3.14Å; C31-A36 WeakPolarHBondContact O-CB 3.49Å; C31-C42 HydrophobicContact CB-CB 3.59Å; C31-C42 WeakPolarHBondContact CB-SG 3.49Å; C31-C42 WeakPolarHBondContact SG-CA 3.4Å; C31-C42 WeakPolarHBondContact SG-CB 3.42Å; C31-C42 CovalentContact SG-SG 2.03Å; C31-C42 PolarHBondContact SG-SG 3.23Å; C31-F93 HydrophobicContact CB-CE1 4.39Å; C31-F93 HydrophobicContact CB-CZ 4.02Å; C31-F93 WeakPolarHBondContact O-CZ 3.35Å
32	M	95	Very high	82.6	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.015	24%	0.237	C	C	.	.			trans	-94.4	50.2	-175.9	-64.5	-54.6	-60	0	0	111.8	E24 T25 F27 R29 L37 F93 L168 P176 I178	E24-M32 HydrophobicContact CB-CB 4.09Å; T25-M32 HydrophobicContact CG2-CB 4.25Å; T25-M32 HydrophobicContact CG2-CE 3.28Å; T25-M32 HydrophobicContact CG2-CG 3.89Å; T25-M32 HydrophobicContact CG2-SD 4.2Å; T25-M32 WeakPolarHBondContact OG1-CE 3.43Å; T25-M32 WeakPolarHBondContact OG1-CG 3.49Å; T25-M32 PolarHBondContact OG1-SD 3.33Å; F27-M32 HydrophobicContact CB-CG 4.05Å; F27-M32 HydrophobicContact CB-SD 3.69Å; F27-M32 HydrophobicContact CD2-CE 4.43Å; F27-M32 HydrophobicContact CD2-SD 3.71Å; F27-M32 HydrophobicContact CG-SD 4.09Å; R29-M32 PolarHBondContact O-N 2.89Å; M32-L37 HydrophobicContact CE-CD1 3.72Å; M32-L37 HydrophobicContact CE-CD2 3.81Å; M32-L37 HydrophobicContact CE-CG 4.23Å; M32-L37 HydrophobicContact SD-CD2 3.98Å; M32-L37 HydrophobicContact SD-CG 4.49Å; M32-F93 HydrophobicContact SD-CE2 4Å; M32-F93 HydrophobicContact SD-CZ 3.89Å; M32-L168 HydrophobicContact CE-CD1 4.12Å; M32-L168 HydrophobicContact CE-CD2 4.04Å; M32-L168 HydrophobicContact CE-CG 4.33Å; M32-P176 WeakPolarHBondContact O-CG 3.32Å; M32-I178 HydrophobicContact CE-CG2 4.49Å
33	T	95.2	Very high	85.8	Confident	56 Å²	56	42.4 Å²	42.4	34%	0.344	21%	0.205	S	C	.	.	S	Bend	trans	-107.8	156.8	174.1	67.9	0	0	0	0	109.9	C31 E35 A36 L37	C31-T33 PolarHBondContact O-N 2.86Å; C31-T33 VanDerWaalsContact O-N 3.14Å; T33-E35 PolarHBondContact O-N 3.49Å; T33-A36 PolarHBondContact O-N 3.31Å; T33-A36 WeakPolarHBondContact OG1-CB 3.4Å; T33-A36 PolarHBondContact OG1-N 2.85Å; T33-L37 WeakPolarHBondContact O-CB 3.45Å; T33-L37 WeakPolarHBondContact O-CG 3.39Å; T33-L37 PolarHBondContact O-N 2.87Å; T33-L37 VanDerWaalsContact O-N 3.08Å
34	V	96.4	Very high	89	Confident	28 Å²	28	40.7 Å²	40.7	17%	0.17	20%	0.195	C	C	.	.	H	α-helix	trans	-55.4	-38	176	-178.2	0	0	0	0	111.5	R38 L169 M174 P176	V34-R38 HydrophobicContact CG1-CG 4.47Å; V34-R38 VanDerWaalsContact CG1-NE 3.35Å; V34-R38 WeakPolarHBondContact O-CB 3.47Å; V34-R38 WeakPolarHBondContact O-CG 3.48Å; V34-R38 PolarHBondContact O-N 3.24Å; V34-R38 VanDerWaalsContact O-N 3.09Å; V34-L169 HydrophobicContact CG2-CD2 4.43Å; V34-M174 WeakPolarHBondContact CG2-O 3.36Å; V34-P176 HydrophobicContact CG2-CG 4.13Å
35	E	95.8	Very high	91.8	Very high	134 Å²	134	40.8 Å²	40.8	63%	0.626	20%	0.201	S	C	*	.	H	α-helix	trans	-67.2	-55.3	179.3	-175.9	-177.9	164.8	0	0	111.7	T33 L37 R38 L39	T33-E35 PolarHBondContact O-N 3.49Å; E35-L37 VanDerWaalsContact C-N 3.29Å; E35-L37 PolarHBondContact O-N 2.86Å; E35-R38 PolarHBondContact O-N 3.48Å; E35-L39 HydrophobicContact CG-CD1 3.84Å; E35-L39 HydrophobicContact CG-CG 4.4Å; E35-L39 WeakPolarHBondContact O-CB 3.48Å; E35-L39 WeakPolarHBondContact O-CG 3.48Å; E35-L39 PolarHBondContact O-N 3.32Å
36	A	95.8	Very high	94.8	Very high	13 Å²	13	42.1 Å²	42.1	11%	0.107	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-38	-177.2	0	0	0	0	0	112.4	C31 T33 K40 R41 F93	C31-A36 WeakPolarHBondContact O-CB 3.49Å; T33-A36 PolarHBondContact O-N 3.31Å; T33-A36 WeakPolarHBondContact OG1-CB 3.4Å; T33-A36 PolarHBondContact OG1-N 2.85Å; A36-K40 WeakPolarHBondContact O-CA 3.45Å; A36-K40 PolarHBondContact O-N 3.37Å; A36-R41 PolarHBondContact O-N 3.47Å; A36-F93 HydrophobicContact CB-CE1 4.37Å
37	L	95.8	Very high	95.6	Very high	16 Å²	16	45 Å²	45	8%	0.084	24%	0.238	C	C	.	.	H	α-helix	trans	-69.9	-41.1	176.1	-70	168.9	0	0	0	113.1	M32 T33 E35 L39 K40 F93 L168 L169 P176	M32-L37 HydrophobicContact CE-CD1 3.72Å; M32-L37 HydrophobicContact CE-CD2 3.81Å; M32-L37 HydrophobicContact CE-CG 4.23Å; M32-L37 HydrophobicContact SD-CD2 3.98Å; M32-L37 HydrophobicContact SD-CG 4.49Å; T33-L37 WeakPolarHBondContact O-CB 3.45Å; T33-L37 WeakPolarHBondContact O-CG 3.39Å; T33-L37 PolarHBondContact O-N 2.87Å; T33-L37 VanDerWaalsContact O-N 3.08Å; E35-L37 VanDerWaalsContact C-N 3.29Å; E35-L37 PolarHBondContact O-N 2.86Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-K40 PolarHBondContact O-N 2.89Å; L37-F93 HydrophobicContact CD2-CE1 4.02Å; L37-F93 HydrophobicContact CD2-CE2 4.08Å; L37-F93 HydrophobicContact CD2-CZ 3.49Å; L37-F93 VanDerWaalsContact CD2-CZ 3.49Å; L37-F93 HydrophobicContact CG-CZ 4.29Å; L37-L168 HydrophobicContact CD1-CD2 4.12Å; L37-L168 HydrophobicContact CD1-CG 4.34Å; L37-L168 HydrophobicContact CD2-CD2 3.8Å; L37-L169 HydrophobicContact CB-CD2 4.2Å; L37-L169 HydrophobicContact CD1-CD2 3.64Å; L37-P176 HydrophobicContact CD1-CB 3.97Å; L37-P176 HydrophobicContact CD1-CG 4.03Å
38	R	95.4	Very high	95.6	Very high	150 Å²	150	53.5 Å²	53.5	57%	0.566	28%	0.283	S	S	*	.	H	α-helix	trans	-67.5	-35.7	174.8	-74.5	176.9	-175.3	175.3	5.7	112.3	V34 E35 K40 L169 G173 M174	V34-R38 HydrophobicContact CG1-CG 4.47Å; V34-R38 VanDerWaalsContact CG1-NE 3.35Å; V34-R38 WeakPolarHBondContact O-CB 3.47Å; V34-R38 WeakPolarHBondContact O-CG 3.48Å; V34-R38 PolarHBondContact O-N 3.24Å; V34-R38 VanDerWaalsContact O-N 3.09Å; E35-R38 PolarHBondContact O-N 3.48Å; R38-K40 VanDerWaalsContact C-N 3.27Å; R38-L169 HydrophobicContact CG-CD1 4.14Å; R38-G173 PolarHBondContact NH2-O 2.89Å; R38-M174 PolarHBondContact NH2-SD 3.46Å
39	L	96.8	Very high	95.5	Very high	83 Å²	83	58.1 Å²	58.1	44%	0.435	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-12	173.7	-67.8	178.1	0	0	0	113.4	E35 L37 R41	E35-L39 HydrophobicContact CG-CD1 3.84Å; E35-L39 HydrophobicContact CG-CG 4.4Å; E35-L39 WeakPolarHBondContact O-CB 3.48Å; E35-L39 WeakPolarHBondContact O-CG 3.48Å; E35-L39 PolarHBondContact O-N 3.32Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L39-R41 HydrophobicContact CB-CB 4.2Å; L39-R41 PolarHBondContact O-N 2.92Å
40	K	97.6	Very high	95.4	Very high	68 Å²	68	60.7 Å²	60.7	30%	0.296	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	33	-169	-65.1	-160.2	155.7	-157.5	0	113.9	A36 L37 R38 L90 K91 F92 F93 N94 Q95	A36-K40 WeakPolarHBondContact O-CA 3.45Å; A36-K40 PolarHBondContact O-N 3.37Å; L37-K40 PolarHBondContact O-N 2.89Å; R38-K40 VanDerWaalsContact C-N 3.27Å; K40-L90 PolarHBondContact NZ-O 3.29Å; K40-K91 WeakPolarHBondContact CE-O 3.28Å; K40-K91 PolarHBondContact NZ-O 2.93Å; K40-F92 WeakPolarHBondContact CG-O 3.32Å; K40-F93 CarbonylContact O-C 3.58Å; K40-F93 VanDerWaalsContact O-CA 3.24Å; K40-F93 WeakPolarHBondContact O-CA 3.42Å; K40-N94 HydrophobicContact CB-CB 4.46Å; K40-N94 WeakPolarHBondContact CB-OD1 3.34Å; K40-N94 PolarHBondContact O-N 3.43Å; K40-N94 PolarHBondContact O-OD1 3.13Å; K40-Q95 PolarHBondContact O-N 2.66Å; K40-Q95 VanDerWaalsContact O-N 3.12Å
41	R	98	Very high	95.4	Very high	109 Å²	109	60.2 Å²	60.2	41%	0.411	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	113.4	-176.2	-178.1	177.3	67.5	-176.3	-0.1	112.2	A36 L39 C43 Q95	A36-R41 PolarHBondContact O-N 3.47Å; L39-R41 HydrophobicContact CB-CB 4.2Å; L39-R41 PolarHBondContact O-N 2.92Å; R41-C43 HydrophobicContact CG-CB 3.96Å; R41-Q95 HydrophobicContact CB-CB 4.14Å; R41-Q95 VanDerWaalsContact CD-OE1 3.26Å; R41-Q95 HydrophobicContact CG-CB 3.9Å
42	C	97.8	Very high	95.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	79.3	170	177.7	0	0	0	0	109.8	C31 F93 Q95 S96 F438	C31-C42 HydrophobicContact CB-CB 3.59Å; C31-C42 WeakPolarHBondContact CB-SG 3.49Å; C31-C42 WeakPolarHBondContact SG-CA 3.4Å; C31-C42 WeakPolarHBondContact SG-CB 3.42Å; C31-C42 CovalentContact SG-SG 2.03Å; C31-C42 PolarHBondContact SG-SG 3.23Å; C42-F93 HydrophobicContact CB-CB 4.42Å; C42-F93 HydrophobicContact CB-CD1 3.56Å; C42-F93 HydrophobicContact CB-CD2 4.1Å; C42-F93 HydrophobicContact CB-CE1 3.74Å; C42-F93 HydrophobicContact CB-CE2 4.27Å; C42-F93 HydrophobicContact CB-CG 3.75Å; C42-F93 HydrophobicContact CB-CZ 4.09Å; C42-Q95 PolarHBondContact N-O 3.49Å; C42-S96 WeakPolarHBondContact O-CA 3.49Å; C42-F438 HydrophobicContact CB-CE1 4.16Å; C42-F438 HydrophobicContact CB-CZ 3.69Å; C42-F438 WeakPolarHBondContact SG-CE1 3.38Å; C42-F438 VanDerWaalsContact SG-CZ 3.51Å
43	C	97.8	Very high	95.5	Very high	16 Å²	16	62.4 Å²	62.4	11%	0.108	34%	0.34	C	S	.	.			trans	-129.8	72.2	179.2	-65.6	0	0	0	0	110.3	R41 V53 C63	R41-C43 HydrophobicContact CG-CB 3.96Å; C43-V53 HydrophobicContact CB-CG1 3.84Å; C43-C63 HydrophobicContact CB-CB 3.53Å; C43-C63 WeakPolarHBondContact CB-SG 3.38Å; C43-C63 VanDerWaalsContact SG-CA 3.57Å; C43-C63 WeakPolarHBondContact SG-CB 3.46Å; C43-C63 CovalentContact SG-SG 2.03Å; C43-C63 PolarHBondContact SG-SG 2.82Å
44	P	96.9	Very high	95.6	Very high	18 Å²	18	59.8 Å²	59.8	12%	0.117	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-71.2	157.2	-179	26.3	-29.3	0	0	0	112.1	V30 C54 Y106 N107	V30-P44 HydrophobicContact CB-CB 4.32Å; V30-P44 HydrophobicContact CG2-CB 3.59Å; V30-P44 HydrophobicContact CG2-CG 3.77Å; P44-C54 PolarHBondContact O-N 2.97Å; P44-Y106 HydrophobicContact CG-CD2 3.53Å; P44-Y106 HydrophobicContact CG-CE2 3.82Å; P44-N107 HydrophobicContact CG-CB 4.09Å
45	A	96.4	Very high	95.6	Very high	30 Å²	30	58.4 Å²	58.4	25%	0.248	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-73.9	153.3	175	0	0	0	0	0	112.1	E49 N52	A45-E49 WeakPolarHBondContact CB-O 3.31Å; A45-N52 CarbonylContact C-O 3.54Å; A45-N52 WeakPolarHBondContact CA-O 3.31Å
46	L	94.6	Very high	95.7	Very high	28 Å²	28	56.7 Å²	56.7	15%	0.147	31%	0.309	C	S	.	.	S	Bend	trans	-96.8	116.6	171.7	178.8	60.4	0	0	0	110	N52 K60 G109	L46-N52 PolarHBondContact N-O 3.45Å; L46-N52 PolarHBondContact O-ND2 3.3Å; L46-K60 HydrophobicContact CD2-CD 3.78Å; L46-G109 VanDerWaalsContact CD1-CA 3.48Å
47	G	91.8	Very high	95.7	Very high	63 Å²	63	61.5 Å²	61.5	65%	0.649	33%	0.333	S	S	*	.	S	Bend	trans	82.9	-156.1	-176.3	0	0	0	0	0	113.1
48	L	91.3	Very high	95.7	Very high	181 Å²	181	66.2 Å²	66.2	95%	0.948	35%	0.354	S	S	*	.	S	Bend	trans	-84.2	-18.1	-174.5	-62.8	177.1	0	0	0	114.2	P50	L48-P50 VanDerWaalsContact O-CD 3.26Å; L48-P50 WeakPolarHBondContact O-CD 3.31Å
49	E	93.1	Very high	95.7	Very high	97 Å²	97	61.2 Å²	61.2	45%	0.453	35%	0.349	S	S	.	.			trans	-83.1	109.1	-174.1	176.2	45.4	-117.9	0	0	110.4	A45 S51 N52 L57	A45-E49 WeakPolarHBondContact CB-O 3.31Å; E49-S51 VanDerWaalsContact CD-OG 3.28Å; E49-S51 WeakPolarHBondContact CG-OG 3.41Å; E49-S51 PolarHBondContact O-N 2.92Å; E49-S51 VanDerWaalsContact O-N 3.16Å; E49-S51 WeakPolarHBondContact OE1-CB 3.3Å; E49-S51 PolarHBondContact OE1-N 2.97Å; E49-S51 PolarHBondContact OE1-OG 3.48Å; E49-N52 HydrophobicContact CB-CB 4.19Å; E49-N52 HydrophobicContact CG-CB 4.24Å; E49-N52 WeakPolarHBondContact O-CB 3.46Å; E49-N52 PolarHBondContact O-N 3.42Å; E49-L57 HydrophobicContact CG-CD1 3.86Å
50	P	92.3	Very high	95.7	Very high	101 Å²	101	58.4 Å²	58.4	66%	0.656	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.9	-172.6	-21.7	35	0	0	0	113.6	L48 N52	L48-P50 VanDerWaalsContact O-CD 3.26Å; L48-P50 WeakPolarHBondContact O-CD 3.31Å; P50-N52 VanDerWaalsContact C-N 3.27Å; P50-N52 PolarHBondContact O-N 2.93Å
51	S	93.7	Very high	95.7	Very high	68 Å²	68	55.4 Å²	55.4	48%	0.476	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-13	174.9	64	0	0	0	0	113.7	E49 V53	E49-S51 VanDerWaalsContact CD-OG 3.28Å; E49-S51 WeakPolarHBondContact CG-OG 3.41Å; E49-S51 PolarHBondContact O-N 2.92Å; E49-S51 VanDerWaalsContact O-N 3.16Å; E49-S51 WeakPolarHBondContact OE1-CB 3.3Å; E49-S51 PolarHBondContact OE1-N 2.97Å; E49-S51 PolarHBondContact OE1-OG 3.48Å; S51-V53 PolarHBondContact O-N 3.32Å
52	N	96.1	Very high	95.7	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.032	32%	0.322	C	S	.	.			trans	-79.9	44.7	178.9	-163.2	25	0	0	0	113.5	A45 L46 E49 P50 C54 G55 M56 L57	A45-N52 CarbonylContact C-O 3.54Å; A45-N52 WeakPolarHBondContact CA-O 3.31Å; L46-N52 PolarHBondContact N-O 3.45Å; L46-N52 PolarHBondContact O-ND2 3.3Å; E49-N52 HydrophobicContact CB-CB 4.19Å; E49-N52 HydrophobicContact CG-CB 4.24Å; E49-N52 WeakPolarHBondContact O-CB 3.46Å; E49-N52 PolarHBondContact O-N 3.42Å; P50-N52 VanDerWaalsContact C-N 3.27Å; P50-N52 PolarHBondContact O-N 2.93Å; N52-C54 PolarHBondContact O-N 3.4Å; N52-G55 PolarHBondContact O-N 2.97Å; N52-G55 VanDerWaalsContact OD1-CA 3.28Å; N52-G55 WeakPolarHBondContact OD1-CA 3.26Å; N52-M56 PolarHBondContact OD1-N 2.99Å; N52-L57 HydrophobicContact CB-CB 4.49Å; N52-L57 HydrophobicContact CB-CD1 3.94Å; N52-L57 HydrophobicContact CB-CG 4.16Å; N52-L57 WeakPolarHBondContact OD1-CB 3.23Å; N52-L57 PolarHBondContact OD1-N 2.93Å
53	V	97.3	Very high	95.7	Very high	46 Å²	46	56.2 Å²	56.2	28%	0.279	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-52.5	123.6	178.5	172.1	0	0	0	0	110.1	C43 S51 G55 M56 C63	C43-V53 HydrophobicContact CB-CG1 3.84Å; S51-V53 PolarHBondContact O-N 3.32Å; V53-G55 PolarHBondContact O-N 3.37Å; V53-G55 VanDerWaalsContact O-N 3.09Å; V53-M56 VanDerWaalsContact O-CB 3.22Å; V53-M56 WeakPolarHBondContact O-CB 3.25Å; V53-M56 PolarHBondContact O-N 3.49Å; V53-C63 HydrophobicContact CG1-CB 3.81Å
54	C	97.4	Very high	95.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	24.5	-178.2	-51.6	0	0	0	0	115.1	P44 N52 M56 G61 C97 N107 C108	P44-C54 PolarHBondContact O-N 2.97Å; N52-C54 PolarHBondContact O-N 3.4Å; C54-M56 VanDerWaalsContact C-N 3.31Å; C54-M56 PolarHBondContact O-N 2.98Å; C54-G61 CarbonylContact O-C 3.49Å; C54-G61 VanDerWaalsContact O-C 3.29Å; C54-G61 VanDerWaalsContact O-CA 3.29Å; C54-G61 WeakPolarHBondContact O-CA 3.26Å; C54-G61 PolarHBondContact O-N 3.42Å; C54-C97 WeakPolarHBondContact CA-SG 3.33Å; C54-C97 HydrophobicContact CB-CB 3.6Å; C54-C97 WeakPolarHBondContact CB-SG 3.44Å; C54-C97 WeakPolarHBondContact SG-CA 3.27Å; C54-C97 WeakPolarHBondContact SG-CB 3.36Å; C54-C97 CovalentContact SG-SG 2.03Å; C54-C97 PolarHBondContact SG-SG 2.7Å; C54-N107 CarbonylContact C-O 3.14Å; C54-N107 VanDerWaalsContact C-O 3.27Å; C54-N107 WeakPolarHBondContact CA-O 3.36Å; C54-C108 WeakPolarHBondContact O-CB 3.16Å
55	G	96.6	Very high	95.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	21.1	-176.5	0	0	0	0	0	114.6	N52 V53 L57 Q58 G59 K60	N52-G55 PolarHBondContact O-N 2.97Å; N52-G55 VanDerWaalsContact OD1-CA 3.28Å; N52-G55 WeakPolarHBondContact OD1-CA 3.26Å; V53-G55 PolarHBondContact O-N 3.37Å; V53-G55 VanDerWaalsContact O-N 3.09Å; G55-L57 VanDerWaalsContact C-N 3.33Å; G55-L57 PolarHBondContact O-N 3.39Å; G55-Q58 CarbonylContact O-C 3.24Å; G55-Q58 WeakPolarHBondContact O-CA 3.38Å; G55-Q58 PolarHBondContact O-N 2.92Å; G55-G59 PolarHBondContact O-N 2.99Å; G55-G59 VanDerWaalsContact O-N 3.17Å; G55-K60 PolarHBondContact O-N 2.87Å
56	M	97.3	Very high	95.8	Very high	97 Å²	97	59.9 Å²	59.9	48%	0.478	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-57	-37.8	-176.2	-179.6	-179.8	-75.8	0	0	114	N52 V53 C54 Q58 G59 G61 Q62	N52-M56 PolarHBondContact OD1-N 2.99Å; V53-M56 VanDerWaalsContact O-CB 3.22Å; V53-M56 WeakPolarHBondContact O-CB 3.25Å; V53-M56 PolarHBondContact O-N 3.49Å; C54-M56 VanDerWaalsContact C-N 3.31Å; C54-M56 PolarHBondContact O-N 2.98Å; M56-Q58 PolarHBondContact O-N 3.41Å; M56-G59 PolarHBondContact O-N 3Å; M56-G61 VanDerWaalsContact CA-O 3.25Å; M56-G61 WeakPolarHBondContact CA-O 3.47Å; M56-G61 PolarHBondContact N-O 3.29Å; M56-Q62 HydrophobicContact CE-CB 3.52Å
57	L	96.3	Very high	95.8	Very high	115 Å²	115	65.8 Å²	65.8	60%	0.602	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-67.9	-15.8	178	-57.9	-179.3	0	0	0	112.8	E49 N52 G55	E49-L57 HydrophobicContact CG-CD1 3.86Å; N52-L57 HydrophobicContact CB-CB 4.49Å; N52-L57 HydrophobicContact CB-CD1 3.94Å; N52-L57 HydrophobicContact CB-CG 4.16Å; N52-L57 WeakPolarHBondContact OD1-CB 3.23Å; N52-L57 PolarHBondContact OD1-N 2.93Å; G55-L57 VanDerWaalsContact C-N 3.33Å; G55-L57 PolarHBondContact O-N 3.39Å
58	Q	94.8	Very high	96.1	Very high	114 Å²	114	64.7 Å²	64.7	53%	0.533	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-107.3	4.3	176.5	-62.4	175.9	-6	0	0	112.1	G55 M56 K60	G55-Q58 CarbonylContact O-C 3.24Å; G55-Q58 WeakPolarHBondContact O-CA 3.38Å; G55-Q58 PolarHBondContact O-N 2.92Å; M56-Q58 PolarHBondContact O-N 3.41Å; Q58-K60 HydrophobicContact CB-CD 4.42Å; Q58-K60 HydrophobicContact CB-CG 3.91Å; Q58-K60 PolarHBondContact O-N 3.48Å
59	G	95.7	Very high	96.3	Very high	45 Å²	45	56.7 Å²	56.7	46%	0.464	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	6.4	-175.9	0	0	0	0	0	115.4	G55 M56 G61 T100	G55-G59 PolarHBondContact O-N 2.99Å; G55-G59 VanDerWaalsContact O-N 3.17Å; M56-G59 PolarHBondContact O-N 3Å; G59-G61 VanDerWaalsContact C-N 3.3Å; G59-G61 PolarHBondContact O-N 3.47Å; G59-T100 WeakPolarHBondContact O-CB 3.34Å; G59-T100 PolarHBondContact O-OG1 2.96Å
60	K	97.2	Very high	96.4	Very high	25 Å²	25	55.9 Å²	55.9	11%	0.109	33%	0.33	C	S	.	.	S	Bend	trans	-72.7	-21.3	-172.5	-62.4	-163.1	169.3	-157.5	0	114.2	L46 G55 Q58 C99 T100 F103 C108 P118	L46-K60 HydrophobicContact CD2-CD 3.78Å; G55-K60 PolarHBondContact O-N 2.87Å; Q58-K60 HydrophobicContact CB-CD 4.42Å; Q58-K60 HydrophobicContact CB-CG 3.91Å; Q58-K60 PolarHBondContact O-N 3.48Å; K60-C99 WeakPolarHBondContact O-CA 3.32Å; K60-T100 PolarHBondContact O-N 2.88Å; K60-F103 HydrophobicContact CB-CB 4.42Å; K60-F103 HydrophobicContact CB-CD1 4.25Å; K60-F103 HydrophobicContact CB-CD2 3.83Å; K60-F103 HydrophobicContact CB-CE2 4.15Å; K60-F103 HydrophobicContact CB-CG 3.89Å; K60-F103 HydrophobicContact CD-CD1 3.74Å; K60-F103 HydrophobicContact CD-CE1 3.6Å; K60-F103 HydrophobicContact CD-CE2 4.46Å; K60-F103 HydrophobicContact CD-CG 4.26Å; K60-F103 HydrophobicContact CD-CZ 3.99Å; K60-F103 HydrophobicContact CG-CD1 4Å; K60-F103 HydrophobicContact CG-CD2 3.95Å; K60-F103 HydrophobicContact CG-CE1 3.85Å; K60-F103 HydrophobicContact CG-CE2 3.78Å; K60-F103 HydrophobicContact CG-CG 4.07Å; K60-F103 HydrophobicContact CG-CZ 3.73Å; K60-C108 HydrophobicContact CB-CB 4.14Å; K60-C108 WeakPolarHBondContact O-CB 3.38Å; K60-P118 PolarHBondContact NZ-O 2.85Å
61	G	97.3	Very high	96.6	Very high	4 Å²	4	55.5 Å²	55.5	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.6	-177.2	177.7	0	0	0	0	0	112.4	C54 M56 G59 Q98	C54-G61 CarbonylContact O-C 3.49Å; C54-G61 VanDerWaalsContact O-C 3.29Å; C54-G61 VanDerWaalsContact O-CA 3.29Å; C54-G61 WeakPolarHBondContact O-CA 3.26Å; C54-G61 PolarHBondContact O-N 3.42Å; M56-G61 VanDerWaalsContact CA-O 3.25Å; M56-G61 WeakPolarHBondContact CA-O 3.47Å; M56-G61 PolarHBondContact N-O 3.29Å; G59-G61 VanDerWaalsContact C-N 3.3Å; G59-G61 PolarHBondContact O-N 3.47Å; G61-Q98 CarbonylContact C-O 3.52Å; G61-Q98 WeakPolarHBondContact CA-O 3.21Å
62	Q	97.6	Very high	96.7	Very high	91 Å²	91	54.8 Å²	54.8	43%	0.425	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	152.5	178.1	52.5	177	20.5	0	0	111.2	M56 Q64 Q98	M56-Q62 HydrophobicContact CE-CB 3.52Å; Q62-Q64 HydrophobicContact CG-CG 3.98Å; Q62-Q64 VanDerWaalsContact NE2-CD 3.31Å; Q62-Q64 PolarHBondContact O-N 3.39Å; Q62-Q98 PolarHBondContact N-O 3.05Å; Q62-Q98 PolarHBondContact O-N 3.26Å
63	C	98.1	Very high	96.7	Very high	35 Å²	35	56 Å²	56	24%	0.236	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	122	175.1	-174.6	0	0	0	0	110	C43 V53	C43-C63 HydrophobicContact CB-CB 3.53Å; C43-C63 WeakPolarHBondContact CB-SG 3.38Å; C43-C63 VanDerWaalsContact SG-CA 3.57Å; C43-C63 WeakPolarHBondContact SG-CB 3.46Å; C43-C63 CovalentContact SG-SG 2.03Å; C43-C63 PolarHBondContact SG-SG 2.82Å; V53-C63 HydrophobicContact CG1-CB 3.81Å
64	Q	97.7	Very high	96.5	Very high	61 Å²	61	55.6 Å²	55.6	29%	0.285	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	166.9	-177.6	-67.8	-167.9	72.1	0	0	111.8	Q62 Q95 S96 Q98	Q62-Q64 HydrophobicContact CG-CG 3.98Å; Q62-Q64 VanDerWaalsContact NE2-CD 3.31Å; Q62-Q64 PolarHBondContact O-N 3.39Å; Q64-Q95 CarbonylContact O-C 3.5Å; Q64-Q95 WeakPolarHBondContact O-CA 3.34Å; Q64-S96 PolarHBondContact N-O 3.5Å; Q64-S96 PolarHBondContact O-N 2.93Å; Q64-Q98 HydrophobicContact CB-CB 4.47Å; Q64-Q98 VanDerWaalsContact CD-OE1 3.23Å
65	A	98.1	Very high	96.2	Very high	62 Å²	62	57.3 Å²	57.3	51%	0.512	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	133.2	170.8	0	0	0	0	0	110.4	H67 N94	A65-H67 PolarHBondContact O-N 2.91Å; A65-H67 PolarHBondContact O-ND1 3.28Å; A65-N94 WeakPolarHBondContact CA-O 3.22Å
66	V	97.1	Very high	96.1	Very high	18 Å²	18	59.9 Å²	59.9	11%	0.109	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-68.1	123.5	177	-179	0	0	0	0	109	V68 P89 L90 N94 P440	V66-V68 HydrophobicContact CG1-CG1 4.09Å; V66-P89 HydrophobicContact CG1-CG 4.34Å; V66-L90 HydrophobicContact CB-CD2 4.19Å; V66-N94 PolarHBondContact N-O 2.83Å; V66-P440 HydrophobicContact CG1-CB 4.21Å; V66-P440 HydrophobicContact CG1-CG 3.74Å; V66-P440 HydrophobicContact CG2-CG 4.37Å
67	H	95.9	Very high	96	Very high	153 Å²	153	55.5 Å²	55.5	71%	0.708	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-79.7	137.4	167.6	-73.5	60.4	0	0	0	109	A65 N433	A65-H67 PolarHBondContact O-N 2.91Å; A65-H67 PolarHBondContact O-ND1 3.28Å; H67-N433 PolarHBondContact O-ND2 2.92Å
68	V	96.8	Very high	95.9	Very high	39 Å²	39	55.1 Å²	55.1	24%	0.236	33%	0.331	C	S	.	.			trans	-133	154.6	177.1	-60.6	0	0	0	0	109.4	V66 A70 Q87 W88 L90	V66-V68 HydrophobicContact CG1-CG1 4.09Å; V68-A70 PolarHBondContact O-N 3.42Å; V68-Q87 HydrophobicContact CB-CB 4.44Å; V68-Q87 HydrophobicContact CG2-CB 4.15Å; V68-Q87 HydrophobicContact CG2-CG 4.38Å; V68-W88 WeakPolarHBondContact CG1-O 3.39Å; V68-L90 HydrophobicContact CG1-CD1 3.98Å; V68-L90 HydrophobicContact CG1-CD2 4.12Å; V68-L90 HydrophobicContact CG1-CG 3.74Å; V68-L90 HydrophobicContact CG2-CD1 3.73Å; V68-L90 HydrophobicContact CG2-CG 4.43Å
69	D	96.1	Very high	95.9	Very high	13 Å²	13	52.1 Å²	52.1	7%	0.07	32%	0.319	C	S	.	.			trans	-63.3	132.3	165.9	-179.1	34.4	0	0	0	110.7	Q71 N429 Y432	D69-Q71 VanDerWaalsContact OD1-CB 3.29Å; D69-Q71 WeakPolarHBondContact OD1-CB 3.12Å; D69-Q71 VanDerWaalsContact OD1-CG 3.28Å; D69-Q71 WeakPolarHBondContact OD1-CG 3.39Å; D69-Q71 PolarHBondContact OD1-N 3.06Å; D69-N429 WeakPolarHBondContact OD2-CB 3.42Å; D69-N429 PolarHBondContact OD2-ND2 3.47Å; D69-Y432 HydrophobicContact CB-CD2 3.91Å; D69-Y432 HydrophobicContact CB-CG 4.35Å
70	A	94.4	Very high	95.8	Very high	81 Å²	81	56 Å²	56	67%	0.669	32%	0.319	S	S	*	.			trans	-116.2	0.3	177.5	0	0	0	0	0	112.3	V68	V68-A70 PolarHBondContact O-N 3.42Å
71	Q	96.6	Very high	95.6	Very high	92 Å²	92	60.4 Å²	60.4	43%	0.43	34%	0.344	S	S	.	.	S	Bend	trans	-70.1	155.9	-179	-62.2	-57.6	3.5	0	0	112.1	D69 E422	D69-Q71 VanDerWaalsContact OD1-CB 3.29Å; D69-Q71 WeakPolarHBondContact OD1-CB 3.12Å; D69-Q71 VanDerWaalsContact OD1-CG 3.28Å; D69-Q71 WeakPolarHBondContact OD1-CG 3.39Å; D69-Q71 PolarHBondContact OD1-N 3.06Å; Q71-E422 HydrophobicContact CB-CB 3.81Å; Q71-E422 HydrophobicContact CG-CB 4.34Å
72	P	96.3	Very high	95.5	Very high	53 Å²	53	62.6 Å²	62.6	34%	0.344	36%	0.356	S	S	.	.			trans	-64.7	153.1	174.5	28.4	-35.2	0	0	0	111.1	E422 L423 N429	P72-E422 WeakPolarHBondContact CD-OE2 3.36Å; P72-E422 HydrophobicContact CG-CB 4.21Å; P72-E422 VanDerWaalsContact CG-OE2 3.29Å; P72-E422 WeakPolarHBondContact CG-OE2 3.26Å; P72-L423 HydrophobicContact CB-CD2 4.02Å; P72-L423 HydrophobicContact CG-CD2 3.96Å; P72-L423 PolarHBondContact O-N 2.74Å; P72-N429 PolarHBondContact O-ND2 3.41Å; P72-N429 VanDerWaalsContact O-ND2 3.16Å
73	W	95.5	Very high	95.4	Very high	31 Å²	31	58.3 Å²	58.3	12%	0.117	34%	0.336	C	S	.	.			trans	-120.4	158	171.5	63.8	84.1	0	0	0	110.2	Y77 R80 A424 I426	W73-Y77 HydrophobicContact CZ2-CD1 4.07Å; W73-Y77 AromaticContact CZ2-CE1 3.96Å; W73-Y77 HydrophobicContact CZ2-CE1 3.96Å; W73-Y77 AromaticContact NE1-CD1 3.63Å; W73-Y77 PolarHBondContact NE1-O 2.83Å; W73-R80 VanDerWaalsContact CH2-CD 3.43Å; W73-A424 CarbonylContact C-O 3.27Å; W73-A424 VanDerWaalsContact CA-O 3.23Å; W73-A424 WeakPolarHBondContact CA-O 3.44Å; W73-A424 VanDerWaalsContact CB-O 3.28Å; W73-A424 WeakPolarHBondContact CB-O 3.26Å; W73-I426 HydrophobicContact CB-CB 4.31Å; W73-I426 HydrophobicContact CD2-CB 4.07Å; W73-I426 HydrophobicContact CD2-CD1 4.28Å; W73-I426 HydrophobicContact CD2-CG1 4.03Å; W73-I426 HydrophobicContact CE3-CG1 4.41Å; W73-I426 HydrophobicContact CG-CB 3.82Å; W73-I426 HydrophobicContact CG-CG1 4.28Å; W73-I426 HydrophobicContact CH2-CD1 4.04Å; W73-I426 HydrophobicContact CZ2-CD1 3.67Å; W73-I426 HydrophobicContact CZ2-CG1 4.33Å
74	S	94.4	Very high	95.4	Very high	39 Å²	39	56.6 Å²	56.6	27%	0.273	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-112.8	-155.5	175.8	84.8	0	0	0	0	111.5	L423 A424	S74-L423 WeakPolarHBondContact CB-O 3.45Å; S74-L423 PolarHBondContact OG-O 2.77Å; S74-A424 PolarHBondContact N-O 3.21Å
75	G	91.3	Very high	95.4	Very high	36 Å²	36	53.7 Å²	53.7	37%	0.371	31%	0.312	S	S	.	.	S	Bend	trans	78.1	-169.2	-179	0	0	0	0	0	113.9	Y77	G75-Y77 PolarHBondContact O-N 3.01Å
76	P	93.6	Very high	95.4	Very high	53 Å²	53	51.4 Å²	51.4	34%	0.344	29%	0.29	S	S	.	.	S	Bend	trans	-69.7	-24.3	-173.6	23.8	-32.9	0	0	0	115.1	T78 F206 A208 F342	P76-T78 PolarHBondContact O-N 2.87Å; P76-T78 VanDerWaalsContact O-N 3.13Å; P76-F206 WeakPolarHBondContact O-CZ 3.17Å; P76-A208 HydrophobicContact CB-CB 3.77Å; P76-A208 HydrophobicContact CG-CB 3.98Å; P76-A208 VanDerWaalsContact CG-O 3.28Å; P76-A208 WeakPolarHBondContact CG-O 3.33Å; P76-F342 HydrophobicContact CG-CE2 4.48Å; P76-F342 HydrophobicContact CG-CZ 4.04Å
77	Y	96.3	Very high	95.3	Very high	5 Å²	5	54.5 Å²	54.5	2%	0.02	30%	0.304	C	S	.	.			trans	-80	93.6	-177.3	-174.5	-102.3	0	0	0	112.5	W73 G75 L79 V82 D83 E86 T198 F206 I209 I426	W73-Y77 HydrophobicContact CZ2-CD1 4.07Å; W73-Y77 AromaticContact CZ2-CE1 3.96Å; W73-Y77 HydrophobicContact CZ2-CE1 3.96Å; W73-Y77 AromaticContact NE1-CD1 3.63Å; W73-Y77 PolarHBondContact NE1-O 2.83Å; G75-Y77 PolarHBondContact O-N 3.01Å; Y77-L79 HydrophobicContact CD2-CB 4.48Å; Y77-L79 HydrophobicContact CE1-CB 4.34Å; Y77-L79 WeakPolarHBondContact CE1-O 3.37Å; Y77-L79 HydrophobicContact CE2-CB 3.82Å; Y77-L79 HydrophobicContact CE2-CD1 4.09Å; Y77-L79 HydrophobicContact CE2-CG 4.19Å; Y77-V82 WeakPolarHBondContact OH-CG2 3.41Å; Y77-D83 WeakPolarHBondContact OH-CB 3.33Å; Y77-E86 HydrophobicContact CE1-CG 4.2Å; Y77-E86 PolarHBondContact OH-OE1 2.7Å; Y77-T198 HydrophobicContact CE2-CG2 4.39Å; Y77-F206 AromaticContact CD2-CD1 3.76Å; Y77-F206 HydrophobicContact CD2-CD1 3.76Å; Y77-F206 AromaticContact CD2-CE1 3.57Å; Y77-F206 HydrophobicContact CD2-CE1 3.57Å; Y77-F206 HydrophobicContact CD2-CZ 4.36Å; Y77-F206 HydrophobicContact CE2-CD1 4.27Å; Y77-F206 HydrophobicContact CE2-CE1 4.49Å; Y77-F206 HydrophobicContact CG-CE1 4.37Å; Y77-I209 HydrophobicContact CD1-CD1 4.34Å; Y77-I209 HydrophobicContact CD2-CB 4.23Å; Y77-I209 HydrophobicContact CD2-CD1 3.61Å; Y77-I209 HydrophobicContact CD2-CG1 4.15Å; Y77-I209 HydrophobicContact CE1-CD1 4.43Å; Y77-I209 HydrophobicContact CE2-CD1 3.69Å; Y77-I209 HydrophobicContact CG-CD1 3.94Å; Y77-I209 HydrophobicContact CG-CG1 4.29Å; Y77-I426 HydrophobicContact CD1-CB 4.21Å; Y77-I426 HydrophobicContact CD1-CD1 3.69Å; Y77-I426 HydrophobicContact CD1-CG2 3.78Å; Y77-I426 HydrophobicContact CE1-CD1 3.61Å; Y77-I426 HydrophobicContact CG-CG2 4.05Å
78	T	93.3	Very high	95.5	Very high	108 Å²	108	47.3 Å²	47.3	66%	0.663	27%	0.27	S	S	*	.			trans	-95.3	-4.6	-179.3	56.1	0	0	0	0	114.5	P76 R80	P76-T78 PolarHBondContact O-N 2.87Å; P76-T78 VanDerWaalsContact O-N 3.13Å; T78-R80 PolarHBondContact O-NH1 3.19Å
79	L	93.9	Very high	95.5	Very high	51 Å²	51	45.4 Å²	45.4	27%	0.267	26%	0.259	S	S	.	.			trans	-72.9	166.4	-178.5	-51.1	178.5	0	0	0	111.5	Y77 V82 L200 F206	Y77-L79 HydrophobicContact CD2-CB 4.48Å; Y77-L79 HydrophobicContact CE1-CB 4.34Å; Y77-L79 WeakPolarHBondContact CE1-O 3.37Å; Y77-L79 HydrophobicContact CE2-CB 3.82Å; Y77-L79 HydrophobicContact CE2-CD1 4.09Å; Y77-L79 HydrophobicContact CE2-CG 4.19Å; L79-V82 HydrophobicContact CB-CG2 3.6Å; L79-V82 HydrophobicContact CD1-CG2 3.93Å; L79-V82 HydrophobicContact CG-CG2 4.4Å; L79-L200 HydrophobicContact CD1-CD1 3.9Å; L79-L200 HydrophobicContact CD1-CD2 3.76Å; L79-L200 HydrophobicContact CD1-CG 4.42Å; L79-F206 HydrophobicContact CD1-CB 4.28Å; L79-F206 HydrophobicContact CD1-CD2 4.34Å; L79-F206 HydrophobicContact CD1-CG 4.23Å
80	R	93.4	Very high	95.5	Very high	125 Å²	125	47 Å²	47	47%	0.472	27%	0.267	S	S	.	.			trans	-146.3	137.8	-179.2	-68.5	-63.1	-175.5	-83.5	12.6	111.1	W73 T78 V82 E86	W73-R80 VanDerWaalsContact CH2-CD 3.43Å; T78-R80 PolarHBondContact O-NH1 3.19Å; R80-V82 PolarHBondContact O-N 2.85Å; R80-E86 WeakPolarHBondContact CA-OE2 3.48Å
81	N	93.1	Very high	95.6	Very high	118 Å²	118	44.3 Å²	44.3	63%	0.631	24%	0.24	S	C	*	.	S	Bend	trans	58.8	18.6	178.6	-167	32.6	0	0	0	115.4	E86 K91	N81-E86 PolarHBondContact N-OE1 3.36Å; N81-E86 PolarHBondContact N-OE2 3.01Å; N81-K91 PolarHBondContact O-NZ 2.79Å; N81-K91 PolarHBondContact OD1-NZ 3.17Å
82	V	95.4	Very high	95.6	Very high	50 Å²	50	40.2 Å²	40.2	30%	0.303	22%	0.221	S	C	.	.			trans	-102.9	-32.8	-177.2	-63.8	0	0	0	0	113.5	Y77 L79 R80 E86 T198 L200	Y77-V82 WeakPolarHBondContact OH-CG2 3.41Å; L79-V82 HydrophobicContact CB-CG2 3.6Å; L79-V82 HydrophobicContact CD1-CG2 3.93Å; L79-V82 HydrophobicContact CG-CG2 4.4Å; R80-V82 PolarHBondContact O-N 2.85Å; V82-E86 PolarHBondContact N-OE1 3.23Å; V82-T198 HydrophobicContact CG2-CG2 4.08Å; V82-L200 HydrophobicContact CB-CD2 3.91Å; V82-L200 HydrophobicContact CG1-CD2 4.41Å; V82-L200 HydrophobicContact CG2-CD2 3.75Å
83	D	97.1	Very high	95.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.205	C	C	.	.	S	Bend	trans	-93.4	152.1	177.9	-160.2	-68.6	0	0	0	110.7	Y77 R85 E86 K91 R196 T198	Y77-D83 WeakPolarHBondContact OH-CB 3.33Å; D83-R85 VanDerWaalsContact C-N 3.31Å; D83-R85 VanDerWaalsContact OD1-CB 3.23Å; D83-R85 WeakPolarHBondContact OD1-CB 3.42Å; D83-R85 VanDerWaalsContact OD1-CG 3.28Å; D83-R85 WeakPolarHBondContact OD1-CG 3.46Å; D83-R85 IonicContact OD1-CZ 2.62Å; D83-R85 PolarHBondContact OD1-N 3.33Å; D83-R85 IonicContact OD1-NE 3.55Å; D83-R85 PolarHBondContact OD1-NE 2.98Å; D83-R85 IonicContact OD1-NH2 3.59Å; D83-R85 IonicContact OD2-CZ 2.7Å; D83-R85 IonicContact OD2-NE 2.77Å; D83-R85 PolarHBondContact OD2-NE 2.88Å; D83-R85 IonicContact OD2-NH2 3.42Å; D83-R85 PolarHBondContact OD2-NH2 3.07Å; D83-E86 HydrophobicContact CB-CG 4.17Å; D83-E86 PolarHBondContact N-OE1 2.79Å; D83-K91 WeakPolarHBondContact O-CE 3.24Å; D83-R196 IonicContact OD1-NH2 2.7Å; D83-T198 HydrophobicContact CB-CG2 3.82Å; D83-T198 VanDerWaalsContact OD2-CA 3.26Å; D83-T198 WeakPolarHBondContact OD2-CA 3.31Å; D83-T198 WeakPolarHBondContact OD2-CB 3.45Å; D83-T198 WeakPolarHBondContact OD2-CG2 3.38Å; D83-T198 PolarHBondContact OD2-OG1 2.93Å
84	D	96.9	Very high	95.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-80.9	-13.5	178.6	55.8	-6.6	0	0	0	113.9	K91 F92 W165 Y193 R196	D84-K91 HydrophobicContact CB-CB 4.37Å; D84-F92 HydrophobicContact CB-CE2 3.8Å; D84-F92 HydrophobicContact CB-CZ 3.94Å; D84-F92 WeakPolarHBondContact OD2-CZ 3.46Å; D84-W165 HydrophobicContact CB-CB 3.84Å; D84-W165 HydrophobicContact CB-CG 3.81Å; D84-Y193 PolarHBondContact OD1-OH 3.24Å; D84-Y193 PolarHBondContact OD2-OH 3.38Å; D84-R196 IonicContact OD1-CZ 3.99Å; D84-R196 IonicContact OD1-NH1 2.73Å; D84-R196 PolarHBondContact OD1-NH1 3.07Å; D84-R196 IonicContact OD1-NH2 3.19Å; D84-R196 PolarHBondContact OD1-NH2 3.29Å; D84-R196 IonicContact OD2-NH2 2.8Å
85	R	98.1	Very high	96	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-87	-13.9	178.3	-60.3	174.9	-75.8	-178	0.1	113.5	D83 Q87 W88 Y193 S194 R196 D197 F211 Y432 V435	D83-R85 VanDerWaalsContact C-N 3.31Å; D83-R85 VanDerWaalsContact OD1-CB 3.23Å; D83-R85 WeakPolarHBondContact OD1-CB 3.42Å; D83-R85 VanDerWaalsContact OD1-CG 3.28Å; D83-R85 WeakPolarHBondContact OD1-CG 3.46Å; D83-R85 IonicContact OD1-CZ 2.62Å; D83-R85 PolarHBondContact OD1-N 3.33Å; D83-R85 IonicContact OD1-NE 3.55Å; D83-R85 PolarHBondContact OD1-NE 2.98Å; D83-R85 IonicContact OD1-NH2 3.59Å; D83-R85 IonicContact OD2-CZ 2.7Å; D83-R85 IonicContact OD2-NE 2.77Å; D83-R85 PolarHBondContact OD2-NE 2.88Å; D83-R85 IonicContact OD2-NH2 3.42Å; D83-R85 PolarHBondContact OD2-NH2 3.07Å; R85-Q87 PolarHBondContact O-N 3.24Å; R85-W88 PolarHBondContact O-N 2.82Å; R85-Y193 VanDerWaalsContact CD-O 3.25Å; R85-Y193 WeakPolarHBondContact CD-O 3.46Å; R85-Y193 HydrophobicContact CG-CD1 4.24Å; R85-Y193 HydrophobicContact CG-CE1 3.59Å; R85-Y193 PolarHBondContact NH1-O 3.2Å; R85-S194 PolarHBondContact NH1-O 2.71Å; R85-S194 VanDerWaalsContact NH1-O 3.14Å; R85-R196 VanDerWaalsContact CZ-O 3.24Å; R85-R196 PolarHBondContact NH1-O 3.43Å; R85-R196 PolarHBondContact NH2-O 3.14Å; R85-D197 PolarHBondContact NH2-O 3.23Å; R85-F211 HydrophobicContact CB-CD1 4.45Å; R85-F211 HydrophobicContact CB-CD2 4.22Å; R85-F211 HydrophobicContact CB-CE1 3.8Å; R85-F211 HydrophobicContact CB-CE2 3.52Å; R85-F211 HydrophobicContact CB-CZ 3.29Å; R85-F211 HydrophobicContact CG-CE2 4.21Å; R85-F211 HydrophobicContact CG-CZ 4.43Å; R85-Y432 PolarHBondContact O-OH 3.4Å; R85-V435 HydrophobicContact CB-CG1 3.79Å; R85-V435 HydrophobicContact CB-CG2 4.42Å; R85-V435 HydrophobicContact CG-CG1 3.5Å
86	E	97.5	Very high	96.3	Very high	13 Å²	13	39.9 Å²	39.9	6%	0.061	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	127	170.8	-69.4	-175.8	-121.2	0	0	110.5	Y77 R80 N81 V82 D83 W88 I426 Y432	Y77-E86 HydrophobicContact CE1-CG 4.2Å; Y77-E86 PolarHBondContact OH-OE1 2.7Å; R80-E86 WeakPolarHBondContact CA-OE2 3.48Å; N81-E86 PolarHBondContact N-OE1 3.36Å; N81-E86 PolarHBondContact N-OE2 3.01Å; V82-E86 PolarHBondContact N-OE1 3.23Å; D83-E86 HydrophobicContact CB-CG 4.17Å; D83-E86 PolarHBondContact N-OE1 2.79Å; E86-W88 VanDerWaalsContact C-N 3.3Å; E86-W88 PolarHBondContact O-N 2.97Å; E86-I426 HydrophobicContact CG-CD1 3.81Å; E86-Y432 WeakPolarHBondContact CA-OH 3.32Å
87	Q	96.4	Very high	96.5	Very high	84 Å²	84	37.7 Å²	37.7	39%	0.393	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	50.4	-176.9	-63.7	-177.5	-27.2	0	0	111.8	V68 R85 L90 Y432	V68-Q87 HydrophobicContact CB-CB 4.44Å; V68-Q87 HydrophobicContact CG2-CB 4.15Å; V68-Q87 HydrophobicContact CG2-CG 4.38Å; R85-Q87 PolarHBondContact O-N 3.24Å; Q87-L90 HydrophobicContact CB-CD1 4.18Å; Q87-L90 WeakPolarHBondContact O-CB 3.27Å; Q87-L90 WeakPolarHBondContact O-CG 3.43Å; Q87-L90 PolarHBondContact O-N 2.54Å; Q87-Y432 PolarHBondContact N-OH 2.75Å
88	W	98.1	Very high	96.5	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	129.5	-177.3	177.4	-104.5	0	0	0	111.8	F27 V68 R85 E86 F92 Y193 Y432 N433 V435 P436 F437	F27-W88 AromaticContact CE1-CH2 3.66Å; F27-W88 HydrophobicContact CE1-CH2 3.66Å; F27-W88 AromaticContact CE1-CZ2 3.59Å; F27-W88 HydrophobicContact CE1-CZ2 3.59Å; F27-W88 HydrophobicContact CE2-CH2 4.03Å; F27-W88 AromaticContact CZ-CH2 3.19Å; F27-W88 HydrophobicContact CZ-CH2 3.19Å; F27-W88 AromaticContact CZ-CZ2 3.67Å; F27-W88 HydrophobicContact CZ-CZ2 3.67Å; F27-W88 AromaticContact CZ-CZ3 3.92Å; F27-W88 HydrophobicContact CZ-CZ3 3.92Å; V68-W88 WeakPolarHBondContact CG1-O 3.39Å; R85-W88 PolarHBondContact O-N 2.82Å; E86-W88 VanDerWaalsContact C-N 3.3Å; E86-W88 PolarHBondContact O-N 2.97Å; W88-F92 HydrophobicContact CE3-CE2 4.43Å; W88-F92 HydrophobicContact CH2-CD2 4.42Å; W88-F92 HydrophobicContact CH2-CE2 4.38Å; W88-F92 AromaticContact CZ3-CD2 3.9Å; W88-F92 HydrophobicContact CZ3-CD2 3.9Å; W88-F92 AromaticContact CZ3-CE2 3.65Å; W88-F92 HydrophobicContact CZ3-CE2 3.65Å; W88-Y193 HydrophobicContact CH2-CE1 4.38Å; W88-Y193 AromaticContact CZ3-CE1 3.91Å; W88-Y193 HydrophobicContact CZ3-CE1 3.91Å; W88-Y432 HydrophobicContact CB-CE1 4.37Å; W88-N433 WeakPolarHBondContact O-CB 3.24Å; W88-N433 PolarHBondContact O-ND2 2.97Å; W88-V435 HydrophobicContact CB-CG2 3.66Å; W88-V435 HydrophobicContact CD2-CG1 4.29Å; W88-V435 HydrophobicContact CE3-CG1 4.25Å; W88-V435 HydrophobicContact CG-CB 4.49Å; W88-V435 HydrophobicContact CG-CG2 3.92Å; W88-P436 VanDerWaalsContact CE2-CA 3.48Å; W88-P436 HydrophobicContact CH2-CB 3.51Å; W88-P436 VanDerWaalsContact CZ2-CA 3.43Å; W88-P436 HydrophobicContact CZ2-CB 3.55Å; W88-P436 WeakPolarHBondContact CZ2-O 3.35Å; W88-P436 HydrophobicContact CZ3-CB 4.05Å; W88-F437 PolarHBondContact NE1-O 3.12Å
89	P	97.5	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	cis	-109	25.8	5.6	41.2	-31.4	0	0	0	114.2	F27 V66 K91 F92 F93 F438 P440	F27-P89 HydrophobicContact CE1-CB 3.98Å; F27-P89 HydrophobicContact CZ-CB 4.34Å; V66-P89 HydrophobicContact CG1-CG 4.34Å; P89-K91 PolarHBondContact O-N 3.28Å; P89-F92 PolarHBondContact O-N 3.15Å; P89-F93 CarbonylContact C-O 3.53Å; P89-F93 PolarHBondContact O-N 3.15Å; P89-F438 HydrophobicContact CG-CD2 4.44Å; P89-F438 HydrophobicContact CG-CE2 4.27Å; P89-P440 HydrophobicContact CG-CG 4.01Å
90	L	97.2	Very high	96.9	Very high	47 Å²	47	39.8 Å²	39.8	25%	0.246	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.5	-164.6	-65.7	-174.6	0	0	0	115.8	K40 V66 V68 Q87 F92 F93 N94	K40-L90 PolarHBondContact NZ-O 3.29Å; V66-L90 HydrophobicContact CB-CD2 4.19Å; V68-L90 HydrophobicContact CG1-CD1 3.98Å; V68-L90 HydrophobicContact CG1-CD2 4.12Å; V68-L90 HydrophobicContact CG1-CG 3.74Å; V68-L90 HydrophobicContact CG2-CD1 3.73Å; V68-L90 HydrophobicContact CG2-CG 4.43Å; Q87-L90 HydrophobicContact CB-CD1 4.18Å; Q87-L90 WeakPolarHBondContact O-CB 3.27Å; Q87-L90 WeakPolarHBondContact O-CG 3.43Å; Q87-L90 PolarHBondContact O-N 2.54Å; L90-F92 PolarHBondContact O-N 3.16Å; L90-F93 WeakPolarHBondContact CA-O 3.41Å; L90-N94 HydrophobicContact CD2-CB 3.97Å
91	K	96.1	Very high	97	Very high	23 Å²	23	36.3 Å²	36.3	10%	0.1	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-35	173.3	-67.7	-84.6	-168	168.9	0	111.7	K40 N81 D83 D84 P89 W165	K40-K91 WeakPolarHBondContact CE-O 3.28Å; K40-K91 PolarHBondContact NZ-O 2.93Å; N81-K91 PolarHBondContact O-NZ 2.79Å; N81-K91 PolarHBondContact OD1-NZ 3.17Å; D83-K91 WeakPolarHBondContact O-CE 3.24Å; D84-K91 HydrophobicContact CB-CB 4.37Å; P89-K91 PolarHBondContact O-N 3.28Å; K91-W165 HydrophobicContact CD-CD2 4.08Å; K91-W165 HydrophobicContact CD-CE3 4.22Å; K91-W165 HydrophobicContact CD-CH2 4.12Å; K91-W165 HydrophobicContact CD-CZ2 3.96Å; K91-W165 HydrophobicContact CD-CZ3 4.25Å
92	F	96.8	Very high	97.2	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.031	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-55.9	178.3	-54.4	-92.1	0	0	0	112	F27 K40 D84 W88 P89 L90 W165 L168	F27-F92 HydrophobicContact CD2-CD1 4.48Å; F27-F92 HydrophobicContact CE1-CB 4.32Å; F27-F92 HydrophobicContact CE2-CB 3.73Å; F27-F92 AromaticContact CE2-CD1 3.52Å; F27-F92 HydrophobicContact CE2-CD1 3.52Å; F27-F92 AromaticContact CE2-CD2 3.86Å; F27-F92 HydrophobicContact CE2-CD2 3.86Å; F27-F92 HydrophobicContact CE2-CE1 4.03Å; F27-F92 HydrophobicContact CE2-CE2 4.34Å; F27-F92 AromaticContact CE2-CG 3.42Å; F27-F92 HydrophobicContact CE2-CG 3.42Å; F27-F92 VanDerWaalsContact CE2-CG 3.42Å; F27-F92 HydrophobicContact CE2-CZ 4.42Å; F27-F92 HydrophobicContact CZ-CB 3.54Å; F27-F92 HydrophobicContact CZ-CD1 4.04Å; F27-F92 AromaticContact CZ-CD2 3.53Å; F27-F92 HydrophobicContact CZ-CD2 3.53Å; F27-F92 HydrophobicContact CZ-CE2 4.22Å; F27-F92 AromaticContact CZ-CG 3.43Å; F27-F92 HydrophobicContact CZ-CG 3.43Å; F27-F92 VanDerWaalsContact CZ-CG 3.43Å; K40-F92 WeakPolarHBondContact CG-O 3.32Å; D84-F92 HydrophobicContact CB-CE2 3.8Å; D84-F92 HydrophobicContact CB-CZ 3.94Å; D84-F92 WeakPolarHBondContact OD2-CZ 3.46Å; W88-F92 HydrophobicContact CE3-CE2 4.43Å; W88-F92 HydrophobicContact CH2-CD2 4.42Å; W88-F92 HydrophobicContact CH2-CE2 4.38Å; W88-F92 AromaticContact CZ3-CD2 3.9Å; W88-F92 HydrophobicContact CZ3-CD2 3.9Å; W88-F92 AromaticContact CZ3-CE2 3.65Å; W88-F92 HydrophobicContact CZ3-CE2 3.65Å; P89-F92 PolarHBondContact O-N 3.15Å; L90-F92 PolarHBondContact O-N 3.16Å; F92-W165 HydrophobicContact CE1-CB 4.04Å; F92-W165 HydrophobicContact CZ-CB 3.91Å; F92-L168 HydrophobicContact CD1-CD2 3.52Å; F92-L168 HydrophobicContact CE1-CD2 3.7Å
93	F	97.6	Very high	97.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.			trans	-134.5	126.5	-172.4	-60.9	-74.7	0	0	0	111.3	F27 C31 M32 A36 L37 K40 C42 P89 L90	F27-F93 HydrophobicContact CB-CE2 3.8Å; F27-F93 AromaticContact CD1-CD2 3.63Å; F27-F93 HydrophobicContact CD1-CD2 3.63Å; F27-F93 AromaticContact CD1-CE2 3.65Å; F27-F93 HydrophobicContact CD1-CE2 3.65Å; F27-F93 HydrophobicContact CD2-CD2 4.31Å; F27-F93 AromaticContact CD2-CE2 3.7Å; F27-F93 HydrophobicContact CD2-CE2 3.7Å; F27-F93 AromaticContact CE1-CD2 3.74Å; F27-F93 HydrophobicContact CE1-CD2 3.74Å; F27-F93 HydrophobicContact CE1-CE2 4.09Å; F27-F93 HydrophobicContact CE2-CD2 4.4Å; F27-F93 HydrophobicContact CE2-CE2 4.13Å; F27-F93 AromaticContact CG-CD2 3.92Å; F27-F93 HydrophobicContact CG-CD2 3.92Å; F27-F93 AromaticContact CG-CE2 3.43Å; F27-F93 HydrophobicContact CG-CE2 3.43Å; F27-F93 VanDerWaalsContact CG-CE2 3.43Å; F27-F93 HydrophobicContact CZ-CD2 4.12Å; F27-F93 HydrophobicContact CZ-CE2 4.3Å; C31-F93 HydrophobicContact CB-CE1 4.39Å; C31-F93 HydrophobicContact CB-CZ 4.02Å; C31-F93 WeakPolarHBondContact O-CZ 3.35Å; M32-F93 HydrophobicContact SD-CE2 4Å; M32-F93 HydrophobicContact SD-CZ 3.89Å; A36-F93 HydrophobicContact CB-CE1 4.37Å; L37-F93 HydrophobicContact CD2-CE1 4.02Å; L37-F93 HydrophobicContact CD2-CE2 4.08Å; L37-F93 HydrophobicContact CD2-CZ 3.49Å; L37-F93 VanDerWaalsContact CD2-CZ 3.49Å; L37-F93 HydrophobicContact CG-CZ 4.29Å; K40-F93 CarbonylContact O-C 3.58Å; K40-F93 VanDerWaalsContact O-CA 3.24Å; K40-F93 WeakPolarHBondContact O-CA 3.42Å; C42-F93 HydrophobicContact CB-CB 4.42Å; C42-F93 HydrophobicContact CB-CD1 3.56Å; C42-F93 HydrophobicContact CB-CD2 4.1Å; C42-F93 HydrophobicContact CB-CE1 3.74Å; C42-F93 HydrophobicContact CB-CE2 4.27Å; C42-F93 HydrophobicContact CB-CG 3.75Å; C42-F93 HydrophobicContact CB-CZ 4.09Å; P89-F93 CarbonylContact C-O 3.53Å; P89-F93 PolarHBondContact O-N 3.15Å; L90-F93 WeakPolarHBondContact CA-O 3.41Å
94	N	97.9	Very high	97.3	Very high	70 Å²	70	32.6 Å²	32.6	37%	0.374	18%	0.184	S	C	.	.	S	Bend	trans	-101.3	-6.3	172	69.2	2.1	0	0	0	112.7	K40 A65 V66 L90	K40-N94 HydrophobicContact CB-CB 4.46Å; K40-N94 WeakPolarHBondContact CB-OD1 3.34Å; K40-N94 PolarHBondContact O-N 3.43Å; K40-N94 PolarHBondContact O-OD1 3.13Å; A65-N94 WeakPolarHBondContact CA-O 3.22Å; V66-N94 PolarHBondContact N-O 2.83Å; L90-N94 HydrophobicContact CD2-CB 3.97Å
95	Q	98.3	Very high	97.2	Very high	72 Å²	72	32.9 Å²	32.9	34%	0.336	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.9	172.4	-70.3	-178.5	-22	0	0	111.4	K40 R41 C42 Q64	K40-Q95 PolarHBondContact O-N 2.66Å; K40-Q95 VanDerWaalsContact O-N 3.12Å; R41-Q95 HydrophobicContact CB-CB 4.14Å; R41-Q95 VanDerWaalsContact CD-OE1 3.26Å; R41-Q95 HydrophobicContact CG-CB 3.9Å; C42-Q95 PolarHBondContact N-O 3.49Å; Q64-Q95 CarbonylContact O-C 3.5Å; Q64-Q95 WeakPolarHBondContact O-CA 3.34Å
96	S	97.5	Very high	97	Very high	10 Å²	10	34.4 Å²	34.4	7%	0.07	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	168.2	174.4	73.5	0	0	0	0	111.8	C42 Q64 Q98	C42-S96 WeakPolarHBondContact O-CA 3.49Å; Q64-S96 PolarHBondContact N-O 3.5Å; Q64-S96 PolarHBondContact O-N 2.93Å; S96-Q98 PolarHBondContact O-N 2.91Å
97	C	97.6	Very high	97	Very high	6 Å²	6	34.8 Å²	34.8	4%	0.041	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	130.5	168.4	-64.4	0	0	0	0	111.2	C54 Y106	C54-C97 WeakPolarHBondContact CA-SG 3.33Å; C54-C97 HydrophobicContact CB-CB 3.6Å; C54-C97 WeakPolarHBondContact CB-SG 3.44Å; C54-C97 WeakPolarHBondContact SG-CA 3.27Å; C54-C97 WeakPolarHBondContact SG-CB 3.36Å; C54-C97 CovalentContact SG-SG 2.03Å; C54-C97 PolarHBondContact SG-SG 2.7Å; C97-Y106 PolarHBondContact SG-O 2.85Å
98	Q	97	Very high	97	Very high	101 Å²	101	30.8 Å²	30.8	47%	0.472	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.2	165.1	-175.7	175.8	8.2	0	0	108.1	G61 Q62 Q64 S96	G61-Q98 CarbonylContact C-O 3.52Å; G61-Q98 WeakPolarHBondContact CA-O 3.21Å; Q62-Q98 PolarHBondContact N-O 3.05Å; Q62-Q98 PolarHBondContact O-N 3.26Å; Q64-Q98 HydrophobicContact CB-CB 4.47Å; Q64-Q98 VanDerWaalsContact CD-OE1 3.23Å; S96-Q98 PolarHBondContact O-N 2.91Å
99	C	97.2	Very high	96.9	Very high	32 Å²	32	32.2 Å²	32.2	22%	0.216	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	146	-171.5	-50.6	0	0	0	0	112.3	K60 F103 C108	K60-C99 WeakPolarHBondContact O-CA 3.32Å; C99-F103 HydrophobicContact CB-CB 3.94Å; C99-F103 VanDerWaalsContact CB-O 3.24Å; C99-F103 WeakPolarHBondContact CB-O 3.38Å; C99-C108 WeakPolarHBondContact CA-SG 3.32Å; C99-C108 HydrophobicContact CB-CB 3.74Å; C99-C108 WeakPolarHBondContact CB-SG 3.36Å; C99-C108 WeakPolarHBondContact SG-CA 3.19Å; C99-C108 WeakPolarHBondContact SG-CB 3.41Å; C99-C108 CovalentContact SG-SG 2.04Å; C99-C108 PolarHBondContact SG-SG 2.94Å
100	T	97.2	Very high	96.8	Very high	76 Å²	76	34 Å²	34	47%	0.466	20%	0.201	S	C	.	.			trans	-82.3	137.1	-177	-48.3	0	0	0	0	110.5	G59 K60 N102 F103	G59-T100 WeakPolarHBondContact O-CB 3.34Å; G59-T100 PolarHBondContact O-OG1 2.96Å; K60-T100 PolarHBondContact O-N 2.88Å; T100-N102 PolarHBondContact O-N 2.93Å; T100-F103 VanDerWaalsContact O-CD2 3.23Å; T100-F103 WeakPolarHBondContact O-CD2 3.38Å; T100-F103 PolarHBondContact O-N 2.6Å
101	G	96.4	Very high	96.8	Very high	52 Å²	52	33.1 Å²	33.1	54%	0.536	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-111.6	170.8	0	0	0	0	0	113.5	K112	G101-K112 VanDerWaalsContact O-CE 3.26Å; G101-K112 WeakPolarHBondContact O-CE 3.3Å; G101-K112 PolarHBondContact O-NZ 3.04Å
102	N	97.3	Very high	96.8	Very high	44 Å²	44	36.7 Å²	36.7	24%	0.235	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	4.3	-178.3	-70.3	-22.2	0	0	0	114.6	T100 C111 K112 W115 C120	T100-N102 PolarHBondContact O-N 2.93Å; N102-C111 CarbonylContact O-C 3.18Å; N102-C111 WeakPolarHBondContact O-CA 3.39Å; N102-K112 PolarHBondContact O-N 3.26Å; N102-W115 HydrophobicContact CB-CB 4.47Å; N102-W115 HydrophobicContact CB-CD2 4.25Å; N102-W115 HydrophobicContact CB-CG 4.14Å; N102-W115 WeakPolarHBondContact ND2-CH2 3.48Å; N102-W115 WeakPolarHBondContact ND2-CZ2 3.2Å; N102-W115 WeakPolarHBondContact ND2-CZ3 3.49Å; N102-C120 HydrophobicContact CB-CB 3.83Å; N102-C120 WeakPolarHBondContact CB-O 3.45Å; N102-C120 PolarHBondContact ND2-O 2.87Å; N102-C120 VanDerWaalsContact ND2-O 3.11Å
103	F	97.9	Very high	96.7	Very high	26 Å²	26	38.5 Å²	38.5	11%	0.114	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	152.3	169.7	-61.6	-65.4	0	0	0	110.9	K60 C99 T100 C108 D110 D119 C120	K60-F103 HydrophobicContact CB-CB 4.42Å; K60-F103 HydrophobicContact CB-CD1 4.25Å; K60-F103 HydrophobicContact CB-CD2 3.83Å; K60-F103 HydrophobicContact CB-CE2 4.15Å; K60-F103 HydrophobicContact CB-CG 3.89Å; K60-F103 HydrophobicContact CD-CD1 3.74Å; K60-F103 HydrophobicContact CD-CE1 3.6Å; K60-F103 HydrophobicContact CD-CE2 4.46Å; K60-F103 HydrophobicContact CD-CG 4.26Å; K60-F103 HydrophobicContact CD-CZ 3.99Å; K60-F103 HydrophobicContact CG-CD1 4Å; K60-F103 HydrophobicContact CG-CD2 3.95Å; K60-F103 HydrophobicContact CG-CE1 3.85Å; K60-F103 HydrophobicContact CG-CE2 3.78Å; K60-F103 HydrophobicContact CG-CG 4.07Å; K60-F103 HydrophobicContact CG-CZ 3.73Å; C99-F103 HydrophobicContact CB-CB 3.94Å; C99-F103 VanDerWaalsContact CB-O 3.24Å; C99-F103 WeakPolarHBondContact CB-O 3.38Å; T100-F103 VanDerWaalsContact O-CD2 3.23Å; T100-F103 WeakPolarHBondContact O-CD2 3.38Å; T100-F103 PolarHBondContact O-N 2.6Å; F103-C108 HydrophobicContact CB-CB 4.45Å; F103-D110 CarbonylContact C-O 3.52Å; F103-D110 WeakPolarHBondContact CA-O 3.45Å; F103-D119 HydrophobicContact CZ-CB 4.48Å; F103-D119 WeakPolarHBondContact CZ-O 3.3Å; F103-C120 HydrophobicContact CD1-CB 3.99Å; F103-C120 WeakPolarHBondContact CD1-SG 3.32Å; F103-C120 HydrophobicContact CE1-CB 3.99Å; F103-C120 VanDerWaalsContact CE1-SG 3.54Å
104	A	96	Very high	96.6	Very high	20 Å²	20	38.8 Å²	38.8	17%	0.165	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	-172.6	-177.9	0	0	0	0	0	111.4	C108 G109 D110 K112	A104-C108 CarbonylContact O-C 3.54Å; A104-C108 WeakPolarHBondContact O-CA 3.16Å; A104-G109 PolarHBondContact O-N 3.36Å; A104-D110 HydrophobicContact CB-CB 4.49Å; A104-D110 PolarHBondContact N-O 3.23Å; A104-D110 WeakPolarHBondContact O-CA 3.28Å; A104-D110 WeakPolarHBondContact O-CB 3.29Å; A104-D110 PolarHBondContact O-N 3.45Å; A104-K112 HydrophobicContact CB-CG 3.95Å
105	G	94.5	Very high	96.5	Very high	7 Å²	7	38.9 Å²	38.9	7%	0.072	22%	0.22	C	C	.	.	S	Bend	trans	81.1	163.9	-176.7	0	0	0	0	0	112.1	N107 C108	G105-N107 PolarHBondContact O-N 3.03Å; G105-N107 VanDerWaalsContact O-N 3.11Å; G105-C108 PolarHBondContact O-N 3.26Å; G105-C108 VanDerWaalsContact O-N 3.11Å
106	Y	95.3	Very high	96.4	Very high	32 Å²	32	37.3 Å²	37.3	13%	0.125	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.2	-167.1	66.1	-95.4	0	0	0	115.2	P28 V30 P44 C97 D157	P28-Y106 HydrophobicContact CB-CD1 4.21Å; P28-Y106 HydrophobicContact CB-CD2 3.61Å; P28-Y106 HydrophobicContact CB-CE2 3.99Å; P28-Y106 HydrophobicContact CB-CG 3.74Å; P28-Y106 HydrophobicContact CG-CD1 4.06Å; P28-Y106 HydrophobicContact CG-CD2 3.66Å; P28-Y106 HydrophobicContact CG-CG 3.4Å; V30-Y106 HydrophobicContact CG2-CD2 4.47Å; V30-Y106 HydrophobicContact CG2-CE2 3.96Å; P44-Y106 HydrophobicContact CG-CD2 3.53Å; P44-Y106 HydrophobicContact CG-CE2 3.82Å; C97-Y106 PolarHBondContact SG-O 2.85Å; Y106-D157 HydrophobicContact CD1-CB 4.43Å; Y106-D157 HydrophobicContact CE1-CB 3.69Å; Y106-D157 PolarHBondContact OH-OD1 2.74Å
107	N	96.3	Very high	96.3	Very high	21 Å²	21	37.9 Å²	37.9	11%	0.112	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	11.1	175.7	64.9	-4	0	0	0	112.9	P44 C54 G105 G109	P44-N107 HydrophobicContact CG-CB 4.09Å; C54-N107 CarbonylContact C-O 3.14Å; C54-N107 VanDerWaalsContact C-O 3.27Å; C54-N107 WeakPolarHBondContact CA-O 3.36Å; G105-N107 PolarHBondContact O-N 3.03Å; G105-N107 VanDerWaalsContact O-N 3.11Å; N107-G109 PolarHBondContact O-N 2.72Å; N107-G109 PolarHBondContact OD1-N 3.33Å
108	C	97.6	Very high	96	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	60.7	23.7	-172.1	-50.8	0	0	0	0	115.6	C54 K60 C99 F103 A104 G105	C54-C108 WeakPolarHBondContact O-CB 3.16Å; K60-C108 HydrophobicContact CB-CB 4.14Å; K60-C108 WeakPolarHBondContact O-CB 3.38Å; C99-C108 WeakPolarHBondContact CA-SG 3.32Å; C99-C108 HydrophobicContact CB-CB 3.74Å; C99-C108 WeakPolarHBondContact CB-SG 3.36Å; C99-C108 WeakPolarHBondContact SG-CA 3.19Å; C99-C108 WeakPolarHBondContact SG-CB 3.41Å; C99-C108 CovalentContact SG-SG 2.04Å; C99-C108 PolarHBondContact SG-SG 2.94Å; F103-C108 HydrophobicContact CB-CB 4.45Å; A104-C108 CarbonylContact O-C 3.54Å; A104-C108 WeakPolarHBondContact O-CA 3.16Å; G105-C108 PolarHBondContact O-N 3.26Å; G105-C108 VanDerWaalsContact O-N 3.11Å
109	G	95.6	Very high	96	Very high	30 Å²	30	42 Å²	42	31%	0.309	25%	0.253	S	S	.	.			trans	-83.2	-19.3	175.1	0	0	0	0	0	115.4	L46 A104 N107	L46-G109 VanDerWaalsContact CD1-CA 3.48Å; A104-G109 PolarHBondContact O-N 3.36Å; N107-G109 PolarHBondContact O-N 2.72Å; N107-G109 PolarHBondContact OD1-N 3.33Å
110	D	95.4	Very high	96	Very high	38 Å²	38	40.6 Å²	40.6	20%	0.203	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	172.5	-179.9	-66.9	-35.5	0	0	0	111.8	F103 A104 R231 R235	F103-D110 CarbonylContact C-O 3.52Å; F103-D110 WeakPolarHBondContact CA-O 3.45Å; A104-D110 HydrophobicContact CB-CB 4.49Å; A104-D110 PolarHBondContact N-O 3.23Å; A104-D110 WeakPolarHBondContact O-CA 3.28Å; A104-D110 WeakPolarHBondContact O-CB 3.29Å; A104-D110 PolarHBondContact O-N 3.45Å; D110-R231 IonicContact OD2-CZ 3.23Å; D110-R231 IonicContact OD2-NH1 3.36Å; D110-R231 PolarHBondContact OD2-NH1 3.32Å; D110-R235 IonicContact OD1-CZ 3.59Å; D110-R235 IonicContact OD1-NH2 3.45Å; D110-R235 PolarHBondContact OD1-NH2 3.33Å; D110-R235 IonicContact OD2-CZ 3.02Å; D110-R235 IonicContact OD2-NH2 2.86Å; D110-R235 PolarHBondContact OD2-NH2 2.9Å
111	C	96.4	Very high	95.9	Very high	29 Å²	29	41.9 Å²	41.9	20%	0.196	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	154.8	162.4	-56.7	0	0	0	0	111.8	N102 W115 G117 C120	N102-C111 CarbonylContact O-C 3.18Å; N102-C111 WeakPolarHBondContact O-CA 3.39Å; C111-W115 HydrophobicContact CB-CB 4.03Å; C111-W115 WeakPolarHBondContact CB-O 3.38Å; C111-G117 PolarHBondContact SG-O 3.09Å; C111-C120 WeakPolarHBondContact CA-SG 3.39Å; C111-C120 HydrophobicContact CB-CB 3.68Å; C111-C120 WeakPolarHBondContact CB-SG 3.24Å; C111-C120 WeakPolarHBondContact SG-CA 3.35Å; C111-C120 WeakPolarHBondContact SG-CB 3.29Å; C111-C120 CovalentContact SG-SG 2.04Å; C111-C120 PolarHBondContact SG-SG 3.37Å
112	K	96.4	Very high	95.9	Very high	97 Å²	97	44.6 Å²	44.6	42%	0.422	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-58.6	153.6	166.3	-74.4	-176.8	-179.4	168.1	0	110.4	G101 N102 A104 G114 W115	G101-K112 VanDerWaalsContact O-CE 3.26Å; G101-K112 WeakPolarHBondContact O-CE 3.3Å; G101-K112 PolarHBondContact O-NZ 3.04Å; N102-K112 PolarHBondContact O-N 3.26Å; A104-K112 HydrophobicContact CB-CG 3.95Å; K112-G114 PolarHBondContact O-N 3.06Å; K112-W115 WeakPolarHBondContact O-CB 3.45Å; K112-W115 PolarHBondContact O-N 3.03Å
113	F	95.6	Very high	95.8	Very high	46 Å²	46	48.1 Å²	48.1	20%	0.202	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	134.9	174.3	-62.1	-78.1	0	0	0	110.8	Y224 L227 L228 R231 L453	F113-Y224 HydrophobicContact CE2-CD2 4.35Å; F113-Y224 AromaticContact CE2-CE2 3.78Å; F113-Y224 HydrophobicContact CE2-CE2 3.78Å; F113-L227 HydrophobicContact CD1-CB 4.21Å; F113-L227 HydrophobicContact CD1-CD2 3.85Å; F113-L227 HydrophobicContact CD2-CD1 4.43Å; F113-L227 HydrophobicContact CE1-CB 3.78Å; F113-L227 HydrophobicContact CE1-CD2 4.21Å; F113-L227 VanDerWaalsContact CE1-O 3.31Å; F113-L227 WeakPolarHBondContact CE1-O 3.07Å; F113-L227 HydrophobicContact CE2-CB 4.19Å; F113-L227 HydrophobicContact CG-CD1 4.47Å; F113-L227 HydrophobicContact CG-CD2 4.21Å; F113-L227 HydrophobicContact CZ-CB 3.77Å; F113-L228 HydrophobicContact CZ-CD2 4.48Å; F113-R231 HydrophobicContact CE1-CB 4.06Å; F113-L453 CarbonylContact C-O 3.44Å; F113-L453 VanDerWaalsContact C-O 3.26Å; F113-L453 VanDerWaalsContact CB-O 3.25Å; F113-L453 WeakPolarHBondContact CB-O 3.42Å
114	G	95.2	Very high	95.6	Very high	6 Å²	6	48.4 Å²	48.4	6%	0.062	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	6.1	-172.1	0	0	0	0	0	116.5	K112 R123 K124 L453 G454	K112-G114 PolarHBondContact O-N 3.06Å; G114-R123 WeakPolarHBondContact O-CA 3.15Å; G114-R123 PolarHBondContact O-NH1 2.82Å; G114-K124 PolarHBondContact O-N 2.62Å; G114-L453 PolarHBondContact N-O 3.27Å; G114-L453 VanDerWaalsContact N-O 3.15Å; G114-G454 VanDerWaalsContact CA-CA 3.48Å
115	W	96.6	Very high	95.5	Very high	72 Å²	72	52.2 Å²	52.2	27%	0.273	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	152.1	175.3	-60.3	89.2	0	0	0	111.9	N102 C111 K112 E122 R123	N102-W115 HydrophobicContact CB-CB 4.47Å; N102-W115 HydrophobicContact CB-CD2 4.25Å; N102-W115 HydrophobicContact CB-CG 4.14Å; N102-W115 WeakPolarHBondContact ND2-CH2 3.48Å; N102-W115 WeakPolarHBondContact ND2-CZ2 3.2Å; N102-W115 WeakPolarHBondContact ND2-CZ3 3.49Å; C111-W115 HydrophobicContact CB-CB 4.03Å; C111-W115 WeakPolarHBondContact CB-O 3.38Å; K112-W115 WeakPolarHBondContact O-CB 3.45Å; K112-W115 PolarHBondContact O-N 3.03Å; W115-E122 CarbonylContact C-O 3.54Å; W115-E122 VanDerWaalsContact CA-O 3.3Å; W115-E122 WeakPolarHBondContact CA-O 3.37Å; W115-R123 HydrophobicContact CE3-CG 4.2Å; W115-R123 HydrophobicContact CH2-CG 4.1Å; W115-R123 HydrophobicContact CZ3-CG 3.89Å
116	T	95.7	Very high	95.5	Very high	39 Å²	39	55.2 Å²	55.2	24%	0.239	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	-175.1	178.9	-166	0	0	0	0	110.7	C120 E122 K124	T116-C120 CarbonylContact O-C 3.6Å; T116-C120 VanDerWaalsContact O-CA 3.28Å; T116-C120 WeakPolarHBondContact O-CA 3.44Å; T116-E122 HydrophobicContact CG2-CB 4.02Å; T116-E122 PolarHBondContact N-O 2.66Å; T116-E122 PolarHBondContact O-N 3.48Å; T116-K124 HydrophobicContact CG2-CB 4.16Å
117	G	94.5	Very high	95.6	Very high	21 Å²	21	54.2 Å²	54.2	22%	0.216	30%	0.296	C	S	.	.	S	Bend	trans	86	163.2	-175.3	0	0	0	0	0	113	C111 D119 C120	C111-G117 PolarHBondContact SG-O 3.09Å; G117-D119 PolarHBondContact O-N 3.25Å; G117-C120 PolarHBondContact O-N 2.94Å
118	P	92.8	Very high	95.6	Very high	95 Å²	95	56.4 Å²	56.4	62%	0.617	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-27.7	-175.4	26	-35	0	0	0	113.4	K60	K60-P118 PolarHBondContact NZ-O 2.85Å
119	D	95.6	Very high	95.7	Very high	99 Å²	99	56.4 Å²	56.4	53%	0.529	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	7.5	-178.7	-60.9	-44.4	0	0	0	113.5	F103 G117 N121	F103-D119 HydrophobicContact CZ-CB 4.48Å; F103-D119 WeakPolarHBondContact CZ-O 3.3Å; G117-D119 PolarHBondContact O-N 3.25Å; D119-N121 PolarHBondContact O-N 2.94Å; D119-N121 VanDerWaalsContact O-N 3.11Å
120	C	97	Very high	95.8	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.014	31%	0.309	C	S	.	.	S	Bend	trans	54.5	28.1	179.3	-56.1	0	0	0	0	115.1	N102 F103 C111 T116 G117	N102-C120 HydrophobicContact CB-CB 3.83Å; N102-C120 WeakPolarHBondContact CB-O 3.45Å; N102-C120 PolarHBondContact ND2-O 2.87Å; N102-C120 VanDerWaalsContact ND2-O 3.11Å; F103-C120 HydrophobicContact CD1-CB 3.99Å; F103-C120 WeakPolarHBondContact CD1-SG 3.32Å; F103-C120 HydrophobicContact CE1-CB 3.99Å; F103-C120 VanDerWaalsContact CE1-SG 3.54Å; C111-C120 WeakPolarHBondContact CA-SG 3.39Å; C111-C120 HydrophobicContact CB-CB 3.68Å; C111-C120 WeakPolarHBondContact CB-SG 3.24Å; C111-C120 WeakPolarHBondContact SG-CA 3.35Å; C111-C120 WeakPolarHBondContact SG-CB 3.29Å; C111-C120 CovalentContact SG-SG 2.04Å; C111-C120 PolarHBondContact SG-SG 3.37Å; T116-C120 CarbonylContact O-C 3.6Å; T116-C120 VanDerWaalsContact O-CA 3.28Å; T116-C120 WeakPolarHBondContact O-CA 3.44Å; G117-C120 PolarHBondContact O-N 2.94Å
121	N	96.6	Very high	96	Very high	103 Å²	103	57.9 Å²	57.9	55%	0.551	31%	0.307	S	S	*	.			trans	-99.7	-7.4	-178.8	58	-10.7	0	0	0	113.4	D119	D119-N121 PolarHBondContact O-N 2.94Å; D119-N121 VanDerWaalsContact O-N 3.11Å
122	E	96.6	Very high	96.1	Very high	109 Å²	109	56.5 Å²	56.5	51%	0.509	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.8	176.9	-64.4	172.7	-160.6	0	0	110.3	W115 T116 K124	W115-E122 CarbonylContact C-O 3.54Å; W115-E122 VanDerWaalsContact CA-O 3.3Å; W115-E122 WeakPolarHBondContact CA-O 3.37Å; T116-E122 HydrophobicContact CG2-CB 4.02Å; T116-E122 PolarHBondContact N-O 2.66Å; T116-E122 PolarHBondContact O-N 3.48Å; E122-K124 PolarHBondContact O-N 2.58Å
123	R	94.9	Very high	96.2	Very high	119 Å²	119	55.7 Å²	55.7	45%	0.449	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	122	172.9	-73.2	-74.2	-77.1	166.7	-6.2	109	G114 W115 E451 Q452	G114-R123 WeakPolarHBondContact O-CA 3.15Å; G114-R123 PolarHBondContact O-NH1 2.82Å; W115-R123 HydrophobicContact CE3-CG 4.2Å; W115-R123 HydrophobicContact CH2-CG 4.1Å; W115-R123 HydrophobicContact CZ3-CG 3.89Å; R123-E451 PolarHBondContact NH2-O 3.32Å; R123-Q452 PolarHBondContact NH1-O 3Å
124	K	92.9	Very high	96.3	Very high	32 Å²	32	57 Å²	57	14%	0.139	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-65.6	136.9	174.8	-169.9	-179.1	175.5	-175.7	0	108.9	G114 T116 E122 E240	G114-K124 PolarHBondContact O-N 2.62Å; T116-K124 HydrophobicContact CG2-CB 4.16Å; E122-K124 PolarHBondContact O-N 2.58Å; K124-E240 VanDerWaalsContact CE-O 3.25Å; K124-E240 WeakPolarHBondContact CE-O 3.38Å; K124-E240 PolarHBondContact NZ-O 2.99Å
125	P	93.9	Very high	96.4	Very high	99 Å²	99	57.6 Å²	57.6	64%	0.643	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-53.4	129	169.2	-25.7	34.9	0	0	0	110	V127	P125-V127 PolarHBondContact O-N 3.14Å
126	P	94.6	Very high	96.4	Very high	71 Å²	71	57.2 Å²	57.2	46%	0.461	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-67.7	132.6	-174.1	26.3	-33.6	0	0	0	110.8	G454 T456	P126-G454 VanDerWaalsContact CA-O 3.3Å; P126-G454 WeakPolarHBondContact CA-O 3.27Å; P126-T456 HydrophobicContact CB-CG2 4.26Å
127	V	96.6	Very high	96.5	Very high	10 Å²	10	58.7 Å²	58.7	6%	0.061	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140.1	174.4	-58.4	0	0	0	0	109.9	P125 A243 G454 Y455 T456	P125-V127 PolarHBondContact O-N 3.14Å; V127-A243 HydrophobicContact CB-CB 3.98Å; V127-A243 HydrophobicContact CG2-CB 4.21Å; V127-G454 PolarHBondContact N-O 2.94Å; V127-Y455 CarbonylContact O-C 3.22Å; V127-Y455 VanDerWaalsContact O-CA 3.24Å; V127-Y455 WeakPolarHBondContact O-CA 3.43Å; V127-Y455 WeakPolarHBondContact O-CB 3.42Å; V127-T456 PolarHBondContact O-N 3.01Å
128	V	98.1	Very high	96.6	Very high	67 Å²	67	63.6 Å²	63.6	41%	0.406	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	106.5	-172.2	-174.8	0	0	0	0	110.1	K130 A243 A458	V128-K130 HydrophobicContact CG1-CG 4.41Å; V128-K130 PolarHBondContact O-N 3.25Å; V128-A243 WeakPolarHBondContact O-CB 3.47Å; V128-A458 HydrophobicContact CG1-CB 3.64Å
129	R	98.6	Very high	96.9	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	116.5	174.7	-62.5	-164.7	178.1	157.5	6.9	109.6	E230 A243 L244 D402 Y455 T456 Y457 A458	R129-E230 IonicContact CZ-OE1 3.84Å; R129-E230 IonicContact CZ-OE2 3.42Å; R129-E230 IonicContact NE-OE1 2.78Å; R129-E230 PolarHBondContact NE-OE1 2.94Å; R129-E230 IonicContact NE-OE2 3.43Å; R129-E230 VanDerWaalsContact NH2-CD 3.35Å; R129-E230 IonicContact NH2-OE1 3.22Å; R129-E230 PolarHBondContact NH2-OE1 2.84Å; R129-E230 IonicContact NH2-OE2 3.79Å; R129-E230 PolarHBondContact NH2-OE2 3.21Å; R129-A243 HydrophobicContact CG-CB 4.32Å; R129-L244 WeakPolarHBondContact CB-O 3.46Å; R129-L244 WeakPolarHBondContact CD-O 3.22Å; R129-L244 WeakPolarHBondContact CG-O 3.17Å; R129-D402 IonicContact NH1-OD2 2.83Å; R129-D402 PolarHBondContact NH1-OD2 3.49Å; R129-D402 VanDerWaalsContact NH1-OD2 3.08Å; R129-Y455 HydrophobicContact CG-CD2 4.25Å; R129-T456 PolarHBondContact N-O 3.48Å; R129-Y457 HydrophobicContact CB-CD1 3.6Å; R129-Y457 HydrophobicContact CB-CE1 3.54Å; R129-Y457 HydrophobicContact CB-CG 4.39Å; R129-Y457 HydrophobicContact CG-CE1 4.21Å; R129-Y457 PolarHBondContact NH1-OH 3.5Å; R129-Y457 WeakPolarHBondContact O-CA 3.49Å; R129-A458 PolarHBondContact O-N 3.43Å
130	K	98.6	Very high	97	Very high	66 Å²	66	59.8 Å²	59.8	29%	0.287	32%	0.32	S	S	.	.			trans	-106.7	159.7	-176.2	-61.2	177.1	178.2	176.2	0	111.9	V128 I132 L135 E139 P245 Y246 A458	V128-K130 HydrophobicContact CG1-CG 4.41Å; V128-K130 PolarHBondContact O-N 3.25Å; K130-I132 PolarHBondContact O-N 3.14Å; K130-L135 HydrophobicContact CB-CD2 3.85Å; K130-L135 HydrophobicContact CD-CD2 3.9Å; K130-L135 HydrophobicContact CG-CD2 4.47Å; K130-E139 IonicContact NZ-OE1 3.14Å; K130-E139 PolarHBondContact NZ-OE1 3.02Å; K130-E139 IonicContact NZ-OE2 2.65Å; K130-E139 PolarHBondContact NZ-OE2 3.38Å; K130-P245 CarbonylContact O-C 3.54Å; K130-P245 WeakPolarHBondContact O-CA 3.31Å; K130-P245 VanDerWaalsContact O-CB 3.31Å; K130-P245 WeakPolarHBondContact O-CB 3.17Å; K130-Y246 VanDerWaalsContact O-CD1 3.29Å; K130-Y246 WeakPolarHBondContact O-CD1 3.49Å; K130-Y246 PolarHBondContact O-N 2.96Å; K130-A458 HydrophobicContact CG-CB 4.16Å
131	N	98.7	Very high	97	Very high	33 Å²	33	64 Å²	64	18%	0.176	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-62.1	132	169.4	-172.5	-37.6	0	0	0	109.1	H133 S134 L135 Y246	N131-H133 PolarHBondContact O-N 3.24Å; N131-H133 VanDerWaalsContact O-N 3.15Å; N131-H133 PolarHBondContact OD1-CD2 3.35Å; N131-H133 PolarHBondContact OD1-N 3.36Å; N131-S134 PolarHBondContact N-OG 2.99Å; N131-S134 WeakPolarHBondContact O-CA 3.3Å; N131-S134 WeakPolarHBondContact O-CB 3.3Å; N131-S134 PolarHBondContact O-N 3.25Å; N131-S134 PolarHBondContact O-OG 3.41Å; N131-L135 PolarHBondContact O-N 3.37Å; N131-Y246 CarbonylContact C-O 3.36Å; N131-Y246 WeakPolarHBondContact CA-O 3.22Å; N131-Y246 HydrophobicContact CB-CD2 4.47Å; N131-Y246 HydrophobicContact CB-CE1 4.24Å; N131-Y246 HydrophobicContact CB-CE2 3.76Å
132	I	98.6	Very high	97	Very high	0 Å²	0	64 Å²	64	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-58.8	-28.8	-179	-166.3	155.5	0	0	0	113.5	K130 S134 L135 F143 F144 P245 Y246 W247 V258 L263 F264 V396	K130-I132 PolarHBondContact O-N 3.14Å; I132-S134 VanDerWaalsContact C-N 3.29Å; I132-S134 PolarHBondContact O-N 3.03Å; I132-L135 HydrophobicContact CG1-CD1 4.27Å; I132-F143 HydrophobicContact CD1-CD1 4.18Å; I132-F143 HydrophobicContact CD1-CE1 3.89Å; I132-F144 HydrophobicContact CD1-CE1 4.25Å; I132-F144 HydrophobicContact CD1-CZ 4.04Å; I132-P245 HydrophobicContact CB-CB 4.11Å; I132-P245 HydrophobicContact CD1-CG 4.14Å; I132-P245 HydrophobicContact CG1-CB 4.45Å; I132-P245 HydrophobicContact CG1-CG 4.42Å; I132-Y246 PolarHBondContact N-O 3.08Å; I132-W247 HydrophobicContact CG2-CB 4.38Å; I132-V258 HydrophobicContact CG2-CG1 3.85Å; I132-L263 HydrophobicContact CD1-CD2 4.21Å; I132-L263 HydrophobicContact CG1-CD2 3.91Å; I132-F264 HydrophobicContact CD1-CE2 3.58Å; I132-F264 HydrophobicContact CD1-CZ 3.58Å; I132-V396 HydrophobicContact CD1-CG1 4.09Å
133	H	97.8	Very high	97.1	Very high	81 Å²	81	59.1 Å²	59.1	38%	0.375	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-74	-17.6	173.7	-64.5	-74.1	0	0	0	113.9	N131 D257 V258	N131-H133 PolarHBondContact O-N 3.24Å; N131-H133 VanDerWaalsContact O-N 3.15Å; N131-H133 PolarHBondContact OD1-CD2 3.35Å; N131-H133 PolarHBondContact OD1-N 3.36Å; H133-D257 PolarHBondContact CE1-O 2.98Å; H133-D257 IonicContact NE2-OD1 3.77Å; H133-V258 WeakPolarHBondContact NE2-CG1 3.43Å
134	S	97.6	Very high	97.3	Very high	74 Å²	74	53.9 Å²	53.9	52%	0.517	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-92.4	-8.2	177.3	70.6	0	0	0	0	114	N131 I132	N131-S134 PolarHBondContact N-OG 2.99Å; N131-S134 WeakPolarHBondContact O-CA 3.3Å; N131-S134 WeakPolarHBondContact O-CB 3.3Å; N131-S134 PolarHBondContact O-N 3.25Å; N131-S134 PolarHBondContact O-OG 3.41Å; I132-S134 VanDerWaalsContact C-N 3.29Å; I132-S134 PolarHBondContact O-N 3.03Å
135	L	98.1	Very high	97.5	Very high	17 Å²	17	54.8 Å²	54.8	9%	0.089	30%	0.3	C	S	.	.	S	Bend	trans	-67.8	140	176.6	-63.6	-172.8	0	0	0	111.7	K130 N131 I132 E139 R140 P245	K130-L135 HydrophobicContact CB-CD2 3.85Å; K130-L135 HydrophobicContact CD-CD2 3.9Å; K130-L135 HydrophobicContact CG-CD2 4.47Å; N131-L135 PolarHBondContact O-N 3.37Å; I132-L135 HydrophobicContact CG1-CD1 4.27Å; L135-E139 WeakPolarHBondContact CA-OE2 3.39Å; L135-E139 HydrophobicContact CB-CB 4.05Å; L135-E139 HydrophobicContact CD2-CB 4.11Å; L135-E139 HydrophobicContact CG-CB 4.45Å; L135-R140 HydrophobicContact CB-CB 4.28Å; L135-R140 HydrophobicContact CD1-CB 4.5Å; L135-R140 PolarHBondContact O-NH2 3.31Å; L135-R140 VanDerWaalsContact O-NH2 3.15Å; L135-P245 HydrophobicContact CD1-CB 3.96Å; L135-P245 HydrophobicContact CD1-CG 4.1Å; L135-P245 HydrophobicContact CG-CB 4.5Å
136	T	97.6	Very high	97.7	Very high	65 Å²	65	50.1 Å²	50.1	40%	0.399	27%	0.269	S	S	.	.			trans	-63.6	169.5	167.8	84.8	0	0	0	0	111.2	E138 E139 R140	T136-E138 WeakPolarHBondContact CB-OE2 3.07Å; T136-E138 PolarHBondContact O-N 2.79Å; T136-E138 PolarHBondContact OG1-N 3.23Å; T136-E138 PolarHBondContact OG1-OE2 3.43Å; T136-E139 HydrophobicContact CG2-CG 4.41Å; T136-E139 PolarHBondContact N-OE2 3.1Å; T136-E139 VanDerWaalsContact N-OE2 3.09Å; T136-E139 PolarHBondContact OG1-N 3.24Å; T136-R140 WeakPolarHBondContact O-CB 3.35Å; T136-R140 PolarHBondContact O-N 3.02Å
137	A	97.1	Very high	97.9	Very high	69 Å²	69	46.7 Å²	46.7	57%	0.57	25%	0.247	S	C	*	.	H	α-helix	trans	-61.2	-37.3	176	0	0	0	0	0	111.6	E141	A137-E141 WeakPolarHBondContact O-CB 3.41Å; A137-E141 PolarHBondContact O-N 3.1Å
138	E	97.1	Very high	97.9	Very high	124 Å²	124	48.9 Å²	48.9	58%	0.579	26%	0.257	S	S	*	.	H	α-helix	trans	-71.3	-47.3	180	-55	71.1	-155.1	0	0	111.6	T136 R140 E141 Q142	T136-E138 WeakPolarHBondContact CB-OE2 3.07Å; T136-E138 PolarHBondContact O-N 2.79Å; T136-E138 PolarHBondContact OG1-N 3.23Å; T136-E138 PolarHBondContact OG1-OE2 3.43Å; E138-R140 VanDerWaalsContact C-N 3.26Å; E138-R140 PolarHBondContact O-N 2.75Å; E138-E141 PolarHBondContact O-N 3.27Å; E138-Q142 WeakPolarHBondContact O-CB 3.33Å; E138-Q142 VanDerWaalsContact O-CG 3.25Å; E138-Q142 WeakPolarHBondContact O-CG 3.31Å; E138-Q142 PolarHBondContact O-N 2.74Å
139	E	97.8	Very high	98	Very high	59 Å²	59	49.6 Å²	49.6	28%	0.276	25%	0.252	S	S	.	.	H	α-helix	trans	-60.2	-39.3	175.9	-67.1	-177.2	132.4	0	0	111.5	K130 L135 T136 F143	K130-E139 IonicContact NZ-OE1 3.14Å; K130-E139 PolarHBondContact NZ-OE1 3.02Å; K130-E139 IonicContact NZ-OE2 2.65Å; K130-E139 PolarHBondContact NZ-OE2 3.38Å; L135-E139 WeakPolarHBondContact CA-OE2 3.39Å; L135-E139 HydrophobicContact CB-CB 4.05Å; L135-E139 HydrophobicContact CD2-CB 4.11Å; L135-E139 HydrophobicContact CG-CB 4.45Å; T136-E139 HydrophobicContact CG2-CG 4.41Å; T136-E139 PolarHBondContact N-OE2 3.1Å; T136-E139 VanDerWaalsContact N-OE2 3.09Å; T136-E139 PolarHBondContact OG1-N 3.24Å; E139-F143 PolarHBondContact O-N 3.08Å
140	R	97.4	Very high	98	Very high	56 Å²	56	49.6 Å²	49.6	21%	0.211	25%	0.252	C	S	.	.	H	α-helix	trans	-68.9	-44.1	178.6	-174.6	-173.7	-50.7	-174.6	7.7	112.5	L135 T136 E138 F143 F144 Q262 L263	L135-R140 HydrophobicContact CB-CB 4.28Å; L135-R140 HydrophobicContact CD1-CB 4.5Å; L135-R140 PolarHBondContact O-NH2 3.31Å; L135-R140 VanDerWaalsContact O-NH2 3.15Å; T136-R140 WeakPolarHBondContact O-CB 3.35Å; T136-R140 PolarHBondContact O-N 3.02Å; E138-R140 VanDerWaalsContact C-N 3.26Å; E138-R140 PolarHBondContact O-N 2.75Å; R140-F143 PolarHBondContact O-N 3.07Å; R140-F144 HydrophobicContact CG-CD2 3.79Å; R140-F144 HydrophobicContact CG-CE2 3.38Å; R140-F144 HydrophobicContact CG-CZ 4.22Å; R140-F144 WeakPolarHBondContact O-CD2 3.12Å; R140-F144 WeakPolarHBondContact O-CG 3.36Å; R140-F144 PolarHBondContact O-N 2.74Å; R140-Q262 WeakPolarHBondContact CD-O 3.25Å; R140-L263 HydrophobicContact CG-CD2 4.33Å
141	E	97.2	Very high	97.9	Very high	90 Å²	90	47.4 Å²	47.4	42%	0.421	24%	0.242	S	C	.	.	H	α-helix	trans	-65.6	-40.8	175.3	-177.2	54.6	-136.7	0	0	111	A137 E138 F143 F144 D145 R280	A137-E141 WeakPolarHBondContact O-CB 3.41Å; A137-E141 PolarHBondContact O-N 3.1Å; E138-E141 PolarHBondContact O-N 3.27Å; E141-F143 VanDerWaalsContact C-N 3.31Å; E141-F143 PolarHBondContact O-N 3.04Å; E141-F144 PolarHBondContact O-N 3.17Å; E141-D145 VanDerWaalsContact O-CB 3.24Å; E141-D145 WeakPolarHBondContact O-CB 3.15Å; E141-D145 PolarHBondContact O-N 3.25Å; E141-R280 IonicContact OE1-CZ 2.86Å; E141-R280 IonicContact OE1-NH1 2.84Å; E141-R280 PolarHBondContact OE1-NH1 3.22Å; E141-R280 IonicContact OE1-NH2 3.95Å; E141-R280 PolarHBondContact OE1-NH2 3.19Å; E141-R280 IonicContact OE2-CZ 3.76Å; E141-R280 IonicContact OE2-NH1 3.53Å; E141-R280 IonicContact OE2-NH2 3.94Å; E141-R280 PolarHBondContact OE2-NH2 2.88Å
142	Q	97.6	Very high	97.9	Very high	104 Å²	104	50.4 Å²	50.4	49%	0.486	26%	0.262	S	S	.	.	H	α-helix	trans	-57.5	-43.1	173.2	-74.3	173.4	15.8	0	0	112	E138 A146	E138-Q142 WeakPolarHBondContact O-CB 3.33Å; E138-Q142 VanDerWaalsContact O-CG 3.25Å; E138-Q142 WeakPolarHBondContact O-CG 3.31Å; E138-Q142 PolarHBondContact O-N 2.74Å; Q142-A146 WeakPolarHBondContact O-CB 3.29Å; Q142-A146 PolarHBondContact O-N 3.43Å
143	F	98.4	Very high	97.8	Very high	5 Å²	5	52.9 Å²	52.9	2%	0.022	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-48.2	176.2	175.8	-117.5	0	0	0	112.5	I132 E139 R140 E141 A146 L147 F242 L244 P245 F264 V396	I132-F143 HydrophobicContact CD1-CD1 4.18Å; I132-F143 HydrophobicContact CD1-CE1 3.89Å; E139-F143 PolarHBondContact O-N 3.08Å; R140-F143 PolarHBondContact O-N 3.07Å; E141-F143 VanDerWaalsContact C-N 3.31Å; E141-F143 PolarHBondContact O-N 3.04Å; F143-A146 PolarHBondContact O-N 3.28Å; F143-L147 HydrophobicContact CD2-CG 4.44Å; F143-L147 HydrophobicContact CE1-CD1 3.83Å; F143-L147 HydrophobicContact CE2-CD1 3.87Å; F143-L147 HydrophobicContact CE2-CD2 4.34Å; F143-L147 HydrophobicContact CE2-CG 3.98Å; F143-L147 HydrophobicContact CZ-CD1 3.47Å; F143-L147 VanDerWaalsContact CZ-CD1 3.47Å; F143-L147 HydrophobicContact CZ-CG 4.12Å; F143-L147 PolarHBondContact O-N 3.17Å; F143-F242 AromaticContact CD2-CZ 3.91Å; F143-F242 HydrophobicContact CD2-CZ 3.91Å; F143-L244 HydrophobicContact CE2-CD2 4.02Å; F143-P245 HydrophobicContact CD1-CG 3.76Å; F143-P245 VanDerWaalsContact CD2-CD 3.45Å; F143-P245 HydrophobicContact CD2-CG 3.91Å; F143-P245 HydrophobicContact CE1-CG 3.65Å; F143-P245 HydrophobicContact CE2-CG 3.84Å; F143-P245 HydrophobicContact CG-CG 3.88Å; F143-P245 HydrophobicContact CZ-CG 3.69Å; F143-F264 HydrophobicContact CE1-CE1 4.13Å; F143-F264 AromaticContact CE1-CZ 3.99Å; F143-F264 HydrophobicContact CE1-CZ 3.99Å; F143-V396 HydrophobicContact CE1-CG1 4.09Å; F143-V396 HydrophobicContact CZ-CG1 3.87Å
144	F	98.3	Very high	97.9	Very high	9 Å²	9	53.1 Å²	53.1	4%	0.039	28%	0.28	C	S	.	.	H	α-helix	trans	-75.8	-28.1	-178	-64	-38.7	0	0	0	114.3	I132 R140 E141 H148 L263 F264 R280 F281	I132-F144 HydrophobicContact CD1-CE1 4.25Å; I132-F144 HydrophobicContact CD1-CZ 4.04Å; R140-F144 HydrophobicContact CG-CD2 3.79Å; R140-F144 HydrophobicContact CG-CE2 3.38Å; R140-F144 HydrophobicContact CG-CZ 4.22Å; R140-F144 WeakPolarHBondContact O-CD2 3.12Å; R140-F144 WeakPolarHBondContact O-CG 3.36Å; R140-F144 PolarHBondContact O-N 2.74Å; E141-F144 PolarHBondContact O-N 3.17Å; F144-H148 VanDerWaalsContact O-CB 3.24Å; F144-H148 WeakPolarHBondContact O-CB 3.48Å; F144-H148 PolarHBondContact O-N 3.23Å; F144-H148 VanDerWaalsContact O-N 3.08Å; F144-L263 HydrophobicContact CE2-CD2 4.02Å; F144-L263 HydrophobicContact CZ-CB 4.24Å; F144-L263 HydrophobicContact CZ-CD2 3.81Å; F144-F264 HydrophobicContact CE1-CD1 4.01Å; F144-F264 AromaticContact CE1-CE1 3.69Å; F144-F264 HydrophobicContact CE1-CE1 3.69Å; F144-F264 AromaticContact CE1-CZ 3.98Å; F144-F264 HydrophobicContact CE1-CZ 3.98Å; F144-R280 VanDerWaalsContact C-NH1 3.32Å; F144-R280 PolarHBondContact O-NH1 3.21Å; F144-F281 AromaticContact CD1-CE2 3.93Å; F144-F281 HydrophobicContact CD1-CE2 3.93Å; F144-F281 AromaticContact CD1-CZ 3.67Å; F144-F281 HydrophobicContact CD1-CZ 3.67Å; F144-F281 HydrophobicContact CE1-CE2 4.12Å; F144-F281 HydrophobicContact CE1-CZ 4.19Å; F144-F281 HydrophobicContact CG-CE2 4.45Å; F144-F281 HydrophobicContact CG-CZ 4.31Å
145	D	98	Very high	97.9	Very high	52 Å²	52	49.6 Å²	49.6	28%	0.278	26%	0.256	S	S	.	.	H	α-helix	trans	-65.1	-49	166.7	170.6	64.9	0	0	0	110.4	E141 L147 H148 R149	E141-D145 VanDerWaalsContact O-CB 3.24Å; E141-D145 WeakPolarHBondContact O-CB 3.15Å; E141-D145 PolarHBondContact O-N 3.25Å; D145-L147 PolarHBondContact O-N 3.46Å; D145-H148 PolarHBondContact O-N 3.15Å; D145-H148 VanDerWaalsContact O-N 3.16Å; D145-R149 WeakPolarHBondContact O-CB 3.5Å; D145-R149 PolarHBondContact O-N 3.07Å; D145-R149 IonicContact OD1-NE 3.36Å; D145-R149 PolarHBondContact OD1-NE 3.2Å; D145-R149 IonicContact OD2-CZ 2.88Å; D145-R149 IonicContact OD2-NE 3.42Å; D145-R149 PolarHBondContact OD2-NE 2.94Å; D145-R149 IonicContact OD2-NH2 3.79Å; D145-R149 PolarHBondContact OD2-NH2 3.24Å
146	A	98.6	Very high	97.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.5	-46.2	179.4	0	0	0	0	0	112	Q142 F143 A150 L233 T237 F242	Q142-A146 WeakPolarHBondContact O-CB 3.29Å; Q142-A146 PolarHBondContact O-N 3.43Å; F143-A146 PolarHBondContact O-N 3.28Å; A146-A150 VanDerWaalsContact O-CB 3.23Å; A146-A150 WeakPolarHBondContact O-CB 3.25Å; A146-A150 PolarHBondContact O-N 2.68Å; A146-L233 HydrophobicContact CB-CD2 4.1Å; A146-L233 WeakPolarHBondContact O-CD2 3.31Å; A146-T237 HydrophobicContact CB-CG2 3.6Å; A146-F242 HydrophobicContact CB-CD2 4.5Å; A146-F242 HydrophobicContact CB-CE2 3.57Å; A146-F242 HydrophobicContact CB-CZ 3.85Å
147	L	98.4	Very high	97.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-45	174.2	-73.3	-174	0	0	0	112.6	F143 D145 A150 K151 Y184 L233 W284 P392	F143-L147 HydrophobicContact CD2-CG 4.44Å; F143-L147 HydrophobicContact CE1-CD1 3.83Å; F143-L147 HydrophobicContact CE2-CD1 3.87Å; F143-L147 HydrophobicContact CE2-CD2 4.34Å; F143-L147 HydrophobicContact CE2-CG 3.98Å; F143-L147 HydrophobicContact CZ-CD1 3.47Å; F143-L147 VanDerWaalsContact CZ-CD1 3.47Å; F143-L147 HydrophobicContact CZ-CG 4.12Å; F143-L147 PolarHBondContact O-N 3.17Å; D145-L147 PolarHBondContact O-N 3.46Å; L147-A150 PolarHBondContact O-N 2.81Å; L147-K151 PolarHBondContact O-N 3.09Å; L147-Y184 HydrophobicContact CD2-CD2 4.04Å; L147-Y184 HydrophobicContact CD2-CE2 3.94Å; L147-L233 HydrophobicContact CD2-CD1 4.01Å; L147-W284 HydrophobicContact CB-CH2 4.4Å; L147-W284 HydrophobicContact CB-CZ2 4.36Å; L147-P392 HydrophobicContact CD1-CB 4Å
148	H	97.4	Very high	97.6	Very high	55 Å²	55	48 Å²	48	26%	0.255	24%	0.24	S	C	.	.	H	α-helix	trans	-67.7	-39.8	-178.4	-173.2	88.5	0	0	0	112.2	F144 D145 K151 T152 W284	F144-H148 VanDerWaalsContact O-CB 3.24Å; F144-H148 WeakPolarHBondContact O-CB 3.48Å; F144-H148 PolarHBondContact O-N 3.23Å; F144-H148 VanDerWaalsContact O-N 3.08Å; D145-H148 PolarHBondContact O-N 3.15Å; D145-H148 VanDerWaalsContact O-N 3.16Å; H148-K151 PolarHBondContact O-N 2.92Å; H148-T152 PolarHBondContact O-OG1 2.68Å; H148-W284 AromaticContact ND1-NE1 3.54Å
149	R	98.3	Very high	97.6	Very high	82 Å²	82	42.1 Å²	42.1	31%	0.309	21%	0.212	S	C	.	.	H	α-helix	trans	-65.4	-37.7	170.6	-72.3	-164.5	-73.5	129.9	-6.3	112	D145 K151 T152 T153 L236	D145-R149 WeakPolarHBondContact O-CB 3.5Å; D145-R149 PolarHBondContact O-N 3.07Å; D145-R149 IonicContact OD1-NE 3.36Å; D145-R149 PolarHBondContact OD1-NE 3.2Å; D145-R149 IonicContact OD2-CZ 2.88Å; D145-R149 IonicContact OD2-NE 3.42Å; D145-R149 PolarHBondContact OD2-NE 2.94Å; D145-R149 IonicContact OD2-NH2 3.79Å; D145-R149 PolarHBondContact OD2-NH2 3.24Å; R149-K151 VanDerWaalsContact C-N 3.28Å; R149-K151 PolarHBondContact O-N 3.39Å; R149-T152 PolarHBondContact O-N 2.78Å; R149-T152 PolarHBondContact O-OG1 3.08Å; R149-T153 WeakPolarHBondContact O-CB 3.44Å; R149-T153 PolarHBondContact O-N 3.06Å; R149-T153 PolarHBondContact O-OG1 2.93Å; R149-L236 HydrophobicContact CB-CD2 3.97Å; R149-L236 PolarHBondContact NH1-O 3.32Å
150	A	98.6	Very high	97.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.5	-29	176.3	0	0	0	0	0	112.9	A146 L147 T152 S182 I183 Y184 L233 L236	A146-A150 VanDerWaalsContact O-CB 3.23Å; A146-A150 WeakPolarHBondContact O-CB 3.25Å; A146-A150 PolarHBondContact O-N 2.68Å; L147-A150 PolarHBondContact O-N 2.81Å; A150-T152 VanDerWaalsContact C-N 3.31Å; A150-S182 VanDerWaalsContact O-CB 3.32Å; A150-S182 WeakPolarHBondContact O-CB 3.43Å; A150-I183 HydrophobicContact CB-CB 4.03Å; A150-I183 HydrophobicContact CB-CG2 4.05Å; A150-I183 PolarHBondContact O-N 3.02Å; A150-I183 VanDerWaalsContact O-N 3.12Å; A150-Y184 PolarHBondContact O-N 2.72Å; A150-L233 HydrophobicContact CB-CD2 3.52Å; A150-L236 HydrophobicContact CB-CD2 3.76Å
151	K	98.2	Very high	97.5	Very high	20 Å²	20	36.9 Å²	36.9	9%	0.087	19%	0.191	C	C	.	.	H	α-helix	trans	-69.1	-26.4	174.5	-172.6	67.6	175.3	-178.8	0	113.3	L147 H148 R149 S182 Y184 N185 W284 Q285	L147-K151 PolarHBondContact O-N 3.09Å; H148-K151 PolarHBondContact O-N 2.92Å; R149-K151 VanDerWaalsContact C-N 3.28Å; R149-K151 PolarHBondContact O-N 3.39Å; K151-S182 VanDerWaalsContact C-CB 3.5Å; K151-S182 WeakPolarHBondContact O-CB 3.5Å; K151-S182 PolarHBondContact O-OG 2.94Å; K151-Y184 HydrophobicContact CD-CD1 4.02Å; K151-Y184 HydrophobicContact CD-CG 4.38Å; K151-N185 WeakPolarHBondContact CD-OD1 3.21Å; K151-N185 WeakPolarHBondContact CE-OD1 3.48Å; K151-N185 PolarHBondContact NZ-OD1 3.3Å; K151-W284 HydrophobicContact CB-CD2 4.4Å; K151-W284 HydrophobicContact CB-CH2 4.26Å; K151-W284 HydrophobicContact CB-CZ2 3.61Å; K151-W284 HydrophobicContact CD-CD2 3.97Å; K151-W284 HydrophobicContact CD-CE3 4.04Å; K151-W284 HydrophobicContact CD-CG 4.47Å; K151-W284 HydrophobicContact CD-CH2 4.42Å; K151-W284 HydrophobicContact CD-CZ2 4.36Å; K151-W284 HydrophobicContact CD-CZ3 4.27Å; K151-W284 HydrophobicContact CG-CD2 3.84Å; K151-W284 HydrophobicContact CG-CE3 4.4Å; K151-W284 HydrophobicContact CG-CG 4.12Å; K151-W284 HydrophobicContact CG-CZ2 3.99Å; K151-Q285 WeakPolarHBondContact CE-O 3.25Å; K151-Q285 PolarHBondContact NZ-O 2.65Å
152	T	96.9	Very high	97.5	Very high	96 Å²	96	33.5 Å²	33.5	59%	0.589	18%	0.176	S	C	*	.	H	α-helix	trans	-108.6	-22.6	-177.4	54.1	0	0	0	0	114.3	H148 R149 A150	H148-T152 PolarHBondContact O-OG1 2.68Å; R149-T152 PolarHBondContact O-N 2.78Å; R149-T152 PolarHBondContact O-OG1 3.08Å; A150-T152 VanDerWaalsContact C-N 3.31Å
153	T	98.4	Very high	97.4	Very high	53 Å²	53	31 Å²	31	33%	0.325	17%	0.165	S	C	.	.	S	Bend	trans	-81.3	119.4	179.2	-55.3	0	0	0	0	110.6	R149 H155 S182 I183 L236	R149-T153 WeakPolarHBondContact O-CB 3.44Å; R149-T153 PolarHBondContact O-N 3.06Å; R149-T153 PolarHBondContact O-OG1 2.93Å; T153-H155 PolarHBondContact O-N 2.85Å; T153-S182 CarbonylContact O-C 3.57Å; T153-S182 WeakPolarHBondContact O-CA 3.49Å; T153-S182 VanDerWaalsContact O-CB 3.31Å; T153-S182 WeakPolarHBondContact O-CB 3.47Å; T153-I183 HydrophobicContact CG2-CD1 4.19Å; T153-I183 PolarHBondContact O-N 3.09Å; T153-L236 HydrophobicContact CG2-CD1 3.85Å
154	I	98.1	Very high	97.1	Very high	85 Å²	85	31.4 Å²	31.4	44%	0.436	17%	0.166	S	C	.	.	B	Isolated β-bridge	trans	-57.7	134.8	174.5	-59.3	-55.5	0	0	0	110.3	N180 C181	I154-N180 HydrophobicContact CD1-CB 4.41Å; I154-N180 HydrophobicContact CG2-CB 4.08Å; I154-C181 WeakPolarHBondContact CA-O 3.26Å
155	H	97.9	Very high	96.9	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-63.8	127.8	178.5	-168.9	-50.7	0	0	0	110.2	R29 T153 D157 Y158 C181 I183 Y186 D232	R29-H155 PolarHBondContact NH2-O 3.41Å; T153-H155 PolarHBondContact O-N 2.85Å; H155-D157 PolarHBondContact ND1-N 3.04Å; H155-D157 VanDerWaalsContact ND1-N 3.19Å; H155-Y158 WeakPolarHBondContact CB-O 3.36Å; H155-Y158 AromaticContact CE1-CD2 3.42Å; H155-Y158 VanDerWaalsContact CE1-CD2 3.42Å; H155-Y158 WeakPolarHBondContact CE1-CD2 3.41Å; H155-Y158 PolarHBondContact CE1-N 3.09Å; H155-Y158 PolarHBondContact ND1-N 3.3Å; H155-Y158 PolarHBondContact ND1-O 2.86Å; H155-Y158 AromaticContact NE2-CD2 3.6Å; H155-C181 PolarHBondContact N-O 2.86Å; H155-I183 HydrophobicContact CB-CG1 4.21Å; H155-Y186 AromaticContact CD2-CD1 3.5Å; H155-Y186 AromaticContact CD2-CG 3.87Å; H155-Y186 AromaticContact NE2-CD1 3.84Å; H155-D232 IonicContact NE2-OD2 3.8Å; H155-D232 PolarHBondContact NE2-OD2 3.11Å
156	P	95.6	Very high	96.6	Very high	77 Å²	77	37.7 Å²	37.7	50%	0.5	19%	0.193	S	C	.	.	S	Bend	trans	-66	-57.4	-176.5	23.4	-32.8	0	0	0	112.2	R29	R29-P156 PolarHBondContact NE-O 3.37Å
157	D	94.8	Very high	96.4	Very high	37 Å²	37	40.4 Å²	40.4	20%	0.198	21%	0.212	C	C	.	.	S	Bend	trans	-87.4	-51.5	-171.7	-51.8	-66.2	0	0	0	113.8	R29 Y106 H155	R29-D157 WeakPolarHBondContact CB-O 3.35Å; R29-D157 PolarHBondContact N-O 2.89Å; Y106-D157 HydrophobicContact CD1-CB 4.43Å; Y106-D157 HydrophobicContact CE1-CB 3.69Å; Y106-D157 PolarHBondContact OH-OD1 2.74Å; H155-D157 PolarHBondContact ND1-N 3.04Å; H155-D157 VanDerWaalsContact ND1-N 3.19Å
158	Y	96.1	Very high	96.2	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.016	21%	0.214	C	C	.	.			trans	-93.2	172.9	176.7	-51.3	-71	0	0	0	112.3	Q26 P28 H155 Y186 F438	Q26-Y158 WeakPolarHBondContact O-CD1 3.42Å; P28-Y158 HydrophobicContact CB-CE1 4.41Å; P28-Y158 HydrophobicContact CG-CD1 4.33Å; P28-Y158 HydrophobicContact CG-CE1 3.75Å; H155-Y158 WeakPolarHBondContact CB-O 3.36Å; H155-Y158 AromaticContact CE1-CD2 3.42Å; H155-Y158 VanDerWaalsContact CE1-CD2 3.42Å; H155-Y158 WeakPolarHBondContact CE1-CD2 3.41Å; H155-Y158 PolarHBondContact CE1-N 3.09Å; H155-Y158 PolarHBondContact ND1-N 3.3Å; H155-Y158 PolarHBondContact ND1-O 2.86Å; H155-Y158 AromaticContact NE2-CD2 3.6Å; Y158-Y186 VanDerWaalsContact CB-CE2 3.44Å; Y158-Y186 AromaticContact CD2-CE1 3.69Å; Y158-Y186 HydrophobicContact CD2-CE1 3.69Å; Y158-Y186 AromaticContact CD2-CZ 3.76Å; Y158-Y186 AromaticContact CG-CE1 3.93Å; Y158-Y186 HydrophobicContact CG-CE1 3.93Å; Y158-Y186 HydrophobicContact CG-CE2 4.07Å; Y158-Y186 AromaticContact CG-CZ 3.53Å; Y158-F438 PolarHBondContact OH-O 3.44Å; Y158-F438 VanDerWaalsContact OH-O 3.09Å
159	V	96.8	Very high	96	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.			trans	-168.7	-164.1	-160.1	-128.4	0	0	0	0	105.9	E24 T25 Q26 R29 A179 N180	E24-V159 VanDerWaalsContact C-CG2 3.46Å; E24-V159 HydrophobicContact CB-CG2 3.97Å; E24-V159 WeakPolarHBondContact O-CB 3.5Å; E24-V159 VanDerWaalsContact O-CG1 3.26Å; E24-V159 WeakPolarHBondContact O-CG1 3.3Å; T25-V159 CarbonylContact C-O 3.47Å; T25-V159 CarbonylContact O-C 3.5Å; T25-V159 WeakPolarHBondContact O-CA 3.37Å; T25-V159 WeakPolarHBondContact O-CB 3.47Å; T25-V159 WeakPolarHBondContact O-CG2 3.47Å; T25-V159 PolarHBondContact O-N 3.29Å; T25-V159 VanDerWaalsContact O-O 3.09Å; Q26-V159 WeakPolarHBondContact CA-O 3.29Å; Q26-V159 VanDerWaalsContact N-C 3.32Å; Q26-V159 PolarHBondContact N-O 3.18Å; R29-V159 HydrophobicContact CB-CG2 3.9Å; V159-A179 WeakPolarHBondContact CG1-O 3.39Å; V159-N180 HydrophobicContact CG1-CB 4.37Å; V159-N180 WeakPolarHBondContact CG1-OD1 3.25Å
160	I	97.6	Very high	95.8	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	154.3	176.6	53.7	168.1	0	0	0	115.5	T25 Q26 A179 C181 Y186 W189 N302	T25-I160 VanDerWaalsContact C-N 3.28Å; T25-I160 WeakPolarHBondContact CA-O 3.48Å; T25-I160 VanDerWaalsContact CB-C 3.48Å; T25-I160 WeakPolarHBondContact CB-O 3.36Å; Q26-I160 VanDerWaalsContact N-CA 3.34Å; I160-A179 HydrophobicContact CD1-CB 4.32Å; I160-A179 HydrophobicContact CG1-CB 3.98Å; I160-A179 WeakPolarHBondContact CG1-O 3.34Å; I160-A179 PolarHBondContact N-O 3.48Å; I160-A179 PolarHBondContact O-N 2.98Å; I160-C181 HydrophobicContact CD1-CB 4.12Å; I160-C181 HydrophobicContact CG1-CB 4.09Å; I160-C181 HydrophobicContact CG2-CB 4.23Å; I160-Y186 HydrophobicContact CG2-CD2 4.37Å; I160-W189 HydrophobicContact CB-CD2 3.92Å; I160-W189 HydrophobicContact CB-CG 3.98Å; I160-W189 HydrophobicContact CB-CZ2 4.34Å; I160-W189 HydrophobicContact CD1-CG 4.34Å; I160-W189 HydrophobicContact CG2-CB 3.64Å; I160-W189 HydrophobicContact CG2-CD2 3.42Å; I160-W189 VanDerWaalsContact CG2-CD2 3.42Å; I160-W189 HydrophobicContact CG2-CE3 3.94Å; I160-W189 HydrophobicContact CG2-CG 3.29Å; I160-N302 VanDerWaalsContact CD1-C 3.41Å
161	A	96.9	Very high	95.5	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.033	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	138.1	176.9	0	0	0	0	0	110.6	T25 L168 W189 L300	T25-A161 HydrophobicContact CG2-CB 3.98Å; A161-L168 HydrophobicContact CB-CD1 4.27Å; A161-W189 HydrophobicContact CB-CH2 4.41Å; A161-W189 HydrophobicContact CB-CZ2 4.27Å; A161-W189 VanDerWaalsContact O-CZ2 3.29Å; A161-W189 WeakPolarHBondContact O-CZ2 3.43Å; A161-L300 HydrophobicContact CB-CD1 4.17Å; A161-L300 WeakPolarHBondContact O-CB 3.41Å
162	T	96.4	Very high	95.2	Very high	19 Å²	19	47 Å²	47	12%	0.117	27%	0.271	C	S	.	.			trans	-107.1	-7.8	-173	67.4	0	0	0	0	114.2	Q177 A179 L300 N302	T162-Q177 PolarHBondContact N-O 3.38Å; T162-Q177 VanDerWaalsContact N-O 3.11Å; T162-Q177 PolarHBondContact OG1-O 3.07Å; T162-A179 HydrophobicContact CG2-CB 3.42Å; T162-A179 VanDerWaalsContact CG2-CB 3.42Å; T162-L300 PolarHBondContact O-N 3.19Å; T162-N302 HydrophobicContact CG2-CB 3.94Å
163	Q	95.3	Very high	94.9	Very high	52 Å²	52	43.5 Å²	43.5	24%	0.243	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-133	152.8	-173.5	-64.1	-62.9	-35.6	0	0	111.2	Q177 L300	Q163-Q177 HydrophobicContact CB-CB 3.84Å; Q163-Q177 HydrophobicContact CB-CG 4.45Å; Q163-Q177 HydrophobicContact CG-CB 3.38Å; Q163-Q177 HydrophobicContact CG-CG 3.88Å; Q163-L300 WeakPolarHBondContact O-CD1 3.41Å
164	H	93.4	Very high	94.6	Very high	13 Å²	13	46.8 Å²	46.8	6%	0.06	27%	0.267	C	S	.	.			trans	-53.9	145.8	170.1	-179.4	-111.7	0	0	0	111.7	M166 S167 L168 V298	H164-M166 PolarHBondContact O-N 3.08Å; H164-S167 CarbonylContact O-C 3.56Å; H164-S167 WeakPolarHBondContact O-CA 3.24Å; H164-S167 PolarHBondContact O-N 2.89Å; H164-L168 PolarHBondContact O-N 2.62Å; H164-V298 HydrophobicContact CB-CG1 4.03Å; H164-V298 WeakPolarHBondContact CB-O 3.41Å
165	W	92.4	Very high	94.4	Very high	64 Å²	64	48.7 Å²	48.7	24%	0.242	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-51.2	-34.6	-171.8	71	-79.9	0	0	0	115.3	D84 K91 F92 S167 L168	D84-W165 HydrophobicContact CB-CB 3.84Å; D84-W165 HydrophobicContact CB-CG 3.81Å; K91-W165 HydrophobicContact CD-CD2 4.08Å; K91-W165 HydrophobicContact CD-CE3 4.22Å; K91-W165 HydrophobicContact CD-CH2 4.12Å; K91-W165 HydrophobicContact CD-CZ2 3.96Å; K91-W165 HydrophobicContact CD-CZ3 4.25Å; F92-W165 HydrophobicContact CE1-CB 4.04Å; F92-W165 HydrophobicContact CZ-CB 3.91Å; W165-S167 VanDerWaalsContact C-N 3.29Å; W165-S167 PolarHBondContact O-N 3.16Å; W165-L168 VanDerWaalsContact O-CB 3.28Å; W165-L168 WeakPolarHBondContact O-CB 3.47Å; W165-L168 PolarHBondContact O-N 3.12Å
166	M	93.1	Very high	94.2	Very high	129 Å²	129	49.4 Å²	49.4	64%	0.635	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-66.4	-29.3	176.6	-62.9	-178.6	179.5	0	0	113.3	H164	H164-M166 PolarHBondContact O-N 3.08Å
167	S	93.6	Very high	94.3	Very high	57 Å²	57	47.7 Å²	47.7	40%	0.399	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-99.7	6.3	-178.6	-57.6	0	0	0	0	112.6	H164 W165 L169 G170 Q177	H164-S167 CarbonylContact O-C 3.56Å; H164-S167 WeakPolarHBondContact O-CA 3.24Å; H164-S167 PolarHBondContact O-N 2.89Å; W165-S167 VanDerWaalsContact C-N 3.29Å; W165-S167 PolarHBondContact O-N 3.16Å; S167-L169 PolarHBondContact O-N 3.13Å; S167-L169 VanDerWaalsContact O-N 3.16Å; S167-G170 PolarHBondContact O-N 2.94Å; S167-Q177 WeakPolarHBondContact O-CG 3.28Å
168	L	93.5	Very high	94.3	Very high	9 Å²	9	47.9 Å²	47.9	5%	0.047	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.1	-170.9	-175.6	66	0	0	0	114.2	M32 L37 F92 A161 H164 W165 P176 Q177	M32-L168 HydrophobicContact CE-CD1 4.12Å; M32-L168 HydrophobicContact CE-CD2 4.04Å; M32-L168 HydrophobicContact CE-CG 4.33Å; L37-L168 HydrophobicContact CD1-CD2 4.12Å; L37-L168 HydrophobicContact CD1-CG 4.34Å; L37-L168 HydrophobicContact CD2-CD2 3.8Å; F92-L168 HydrophobicContact CD1-CD2 3.52Å; F92-L168 HydrophobicContact CE1-CD2 3.7Å; A161-L168 HydrophobicContact CB-CD1 4.27Å; H164-L168 PolarHBondContact O-N 2.62Å; W165-L168 VanDerWaalsContact O-CB 3.28Å; W165-L168 WeakPolarHBondContact O-CB 3.47Å; W165-L168 PolarHBondContact O-N 3.12Å; L168-P176 CarbonylContact O-C 3.46Å; L168-P176 WeakPolarHBondContact O-CA 3.34Å; L168-Q177 PolarHBondContact O-N 3.27Å
169	L	95	Very high	94.3	Very high	39 Å²	39	48.3 Å²	48.3	20%	0.204	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	10.9	175.2	-67	-179.9	0	0	0	113.9	V34 L37 R38 S167 G173 M174 E175 P176	V34-L169 HydrophobicContact CG2-CD2 4.43Å; L37-L169 HydrophobicContact CB-CD2 4.2Å; L37-L169 HydrophobicContact CD1-CD2 3.64Å; R38-L169 HydrophobicContact CG-CD1 4.14Å; S167-L169 PolarHBondContact O-N 3.13Å; S167-L169 VanDerWaalsContact O-N 3.16Å; L169-G173 CarbonylContact O-C 3.34Å; L169-G173 WeakPolarHBondContact O-CA 3.33Å; L169-G173 PolarHBondContact O-N 2.78Å; L169-M174 PolarHBondContact O-N 2.75Å; L169-E175 CarbonylContact C-O 3.04Å; L169-E175 PolarHBondContact O-N 3.49Å; L169-P176 HydrophobicContact CD2-CB 4.33Å; L169-P176 HydrophobicContact CD2-CG 3.92Å
170	G	92.8	Very high	94.3	Very high	17 Å²	17	50.6 Å²	50.6	18%	0.175	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	178.3	-179.8	0	0	0	0	0	113.6	S167 T172 G173 E175	S167-G170 PolarHBondContact O-N 2.94Å; G170-T172 PolarHBondContact O-N 2.83Å; G170-G173 PolarHBondContact O-N 2.97Å; G170-E175 PolarHBondContact N-O 3.49Å
171	P	91.9	Very high	94.2	Very high	135 Å²	135	50.6 Å²	50.6	88%	0.877	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-21.8	-178.8	27.9	-35.3	0	0	0	113.2
172	T	92.3	Very high	94.3	Very high	95 Å²	95	50.7 Å²	50.7	58%	0.583	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.5	177.3	59.3	0	0	0	0	113	G170 M174	G170-T172 PolarHBondContact O-N 2.83Å; T172-M174 WeakPolarHBondContact O-CG 3.46Å; T172-M174 PolarHBondContact O-N 2.95Å; T172-M174 PolarHBondContact OG1-N 3.47Å
173	G	91.9	Very high	94.4	Very high	22 Å²	22	50.2 Å²	50.2	23%	0.227	28%	0.278	C	S	.	.	S	Bend	trans	67.1	10.2	-171.3	0	0	0	0	0	114.4	R38 L169 G170	R38-G173 PolarHBondContact NH2-O 2.89Å; L169-G173 CarbonylContact O-C 3.34Å; L169-G173 WeakPolarHBondContact O-CA 3.33Å; L169-G173 PolarHBondContact O-N 2.78Å; G170-G173 PolarHBondContact O-N 2.97Å
174	M	92.2	Very high	94.6	Very high	122 Å²	122	47.7 Å²	47.7	60%	0.601	27%	0.267	S	S	*	.	S	Bend	trans	-124.6	-2.8	-168.9	-67.5	-63.8	-66.1	0	0	113.9	V34 R38 L169 T172	V34-M174 WeakPolarHBondContact CG2-O 3.36Å; R38-M174 PolarHBondContact NH2-SD 3.46Å; L169-M174 PolarHBondContact O-N 2.75Å; T172-M174 WeakPolarHBondContact O-CG 3.46Å; T172-M174 PolarHBondContact O-N 2.95Å; T172-M174 PolarHBondContact OG1-N 3.47Å
175	E	92.8	Very high	94.8	Very high	126 Å²	126	47.7 Å²	47.7	59%	0.589	27%	0.267	S	S	*	.	S	Bend	trans	-137.1	108.9	-179.1	-178.3	171.1	-148.2	0	0	108.7	L169 G170 Q177	L169-E175 CarbonylContact C-O 3.04Å; L169-E175 PolarHBondContact O-N 3.49Å; G170-E175 PolarHBondContact N-O 3.49Å; E175-Q177 PolarHBondContact O-NE2 3.3Å
176	P	95	Very high	95.1	Very high	15 Å²	15	44.9 Å²	44.9	10%	0.097	26%	0.256	C	S	.	.			trans	-58.7	145.9	175.7	-21.4	34.7	0	0	0	110.1	M32 V34 L37 L168 L169 I178	M32-P176 WeakPolarHBondContact O-CG 3.32Å; V34-P176 HydrophobicContact CG2-CG 4.13Å; L37-P176 HydrophobicContact CD1-CB 3.97Å; L37-P176 HydrophobicContact CD1-CG 4.03Å; L168-P176 CarbonylContact O-C 3.46Å; L168-P176 WeakPolarHBondContact O-CA 3.34Å; L169-P176 HydrophobicContact CD2-CB 4.33Å; L169-P176 HydrophobicContact CD2-CG 3.92Å; P176-I178 VanDerWaalsContact C-CG2 3.4Å; P176-I178 HydrophobicContact CB-CD1 3.99Å; P176-I178 HydrophobicContact CB-CG2 3.54Å; P176-I178 WeakPolarHBondContact O-CD1 3.16Å; P176-I178 WeakPolarHBondContact O-CG1 3.33Å
177	Q	96.3	Very high	95.4	Very high	42 Å²	42	38.9 Å²	38.9	20%	0.196	23%	0.227	C	C	.	.			trans	-99.7	96.3	-175.3	-58.8	-63.3	-68	0	0	111.5	T162 Q163 S167 L168 E175	T162-Q177 PolarHBondContact N-O 3.38Å; T162-Q177 VanDerWaalsContact N-O 3.11Å; T162-Q177 PolarHBondContact OG1-O 3.07Å; Q163-Q177 HydrophobicContact CB-CB 3.84Å; Q163-Q177 HydrophobicContact CB-CG 4.45Å; Q163-Q177 HydrophobicContact CG-CB 3.38Å; Q163-Q177 HydrophobicContact CG-CG 3.88Å; S167-Q177 WeakPolarHBondContact O-CG 3.28Å; L168-Q177 PolarHBondContact O-N 3.27Å; E175-Q177 PolarHBondContact O-NE2 3.3Å
178	I	96.3	Very high	95.6	Very high	40 Å²	40	36.2 Å²	36.2	21%	0.205	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	147.4	-147.8	66.5	-160.7	0	0	0	111	V23 E24 T25 M32 P176	V23-I178 WeakPolarHBondContact O-CD1 3.47Å; V23-I178 WeakPolarHBondContact O-CG1 3.34Å; E24-I178 HydrophobicContact CG-CD1 4.33Å; E24-I178 WeakPolarHBondContact O-CB 3.37Å; T25-I178 HydrophobicContact CG2-CB 3.5Å; T25-I178 VanDerWaalsContact CG2-CB 3.5Å; T25-I178 HydrophobicContact CG2-CG2 2.97Å; M32-I178 HydrophobicContact CE-CG2 4.49Å; P176-I178 VanDerWaalsContact C-CG2 3.4Å; P176-I178 HydrophobicContact CB-CD1 3.99Å; P176-I178 HydrophobicContact CB-CG2 3.54Å; P176-I178 WeakPolarHBondContact O-CD1 3.16Å; P176-I178 WeakPolarHBondContact O-CG1 3.33Å
179	A	96.2	Very high	95.9	Very high	14 Å²	14	35.9 Å²	35.9	12%	0.116	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	140.9	-177.8	0	0	0	0	0	113.4	V23 E24 V159 I160 T162 N302	V23-A179 VanDerWaalsContact CG1-CA 3.48Å; E24-A179 PolarHBondContact O-N 2.92Å; V159-A179 WeakPolarHBondContact CG1-O 3.39Å; I160-A179 HydrophobicContact CD1-CB 4.32Å; I160-A179 HydrophobicContact CG1-CB 3.98Å; I160-A179 WeakPolarHBondContact CG1-O 3.34Å; I160-A179 PolarHBondContact N-O 3.48Å; I160-A179 PolarHBondContact O-N 2.98Å; T162-A179 HydrophobicContact CG2-CB 3.42Å; T162-A179 VanDerWaalsContact CG2-CB 3.42Å; A179-N302 WeakPolarHBondContact CB-O 3.21Å
180	N	96.1	Very high	96.1	Very high	47 Å²	47	34.1 Å²	34.1	25%	0.251	20%	0.197	S	C	.	.			trans	-74.2	131.6	172.2	-84.3	-20.5	0	0	0	108.9	V23 R29 I154 V159	V23-N180 HydrophobicContact CG1-CB 3.92Å; R29-N180 PolarHBondContact NH1-OD1 3.12Å; R29-N180 PolarHBondContact NH2-OD1 2.9Å; I154-N180 HydrophobicContact CD1-CB 4.41Å; I154-N180 HydrophobicContact CG2-CB 4.08Å; V159-N180 HydrophobicContact CG1-CB 4.37Å; V159-N180 WeakPolarHBondContact CG1-OD1 3.25Å
181	C	95.3	Very high	96.3	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.014	19%	0.189	C	C	.	.			trans	-121.4	158.5	171.6	59	0	0	0	0	109.6	I154 H155 I160 N185	I154-C181 WeakPolarHBondContact CA-O 3.26Å; H155-C181 PolarHBondContact N-O 2.86Å; I160-C181 HydrophobicContact CD1-CB 4.12Å; I160-C181 HydrophobicContact CG1-CB 4.09Å; I160-C181 HydrophobicContact CG2-CB 4.23Å; C181-N185 HydrophobicContact CB-CB 4.02Å
182	S	98.3	Very high	96.7	Very high	6 Å²	6	27 Å²	27	4%	0.042	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-72.7	164.4	167.2	64.5	0	0	0	0	111.8	A150 K151 T153 Y184 N185 Y186	A150-S182 VanDerWaalsContact O-CB 3.32Å; A150-S182 WeakPolarHBondContact O-CB 3.43Å; K151-S182 VanDerWaalsContact C-CB 3.5Å; K151-S182 WeakPolarHBondContact O-CB 3.5Å; K151-S182 PolarHBondContact O-OG 2.94Å; T153-S182 CarbonylContact O-C 3.57Å; T153-S182 WeakPolarHBondContact O-CA 3.49Å; T153-S182 VanDerWaalsContact O-CB 3.31Å; T153-S182 WeakPolarHBondContact O-CB 3.47Å; S182-Y184 PolarHBondContact O-N 3.27Å; S182-N185 PolarHBondContact O-N 3.1Å; S182-N185 VanDerWaalsContact O-N 3.12Å; S182-N185 WeakPolarHBondContact OG-CB 3.13Å; S182-N185 VanDerWaalsContact OG-CG 3.29Å; S182-N185 PolarHBondContact OG-N 3.13Å; S182-Y186 WeakPolarHBondContact O-CB 3.37Å; S182-Y186 PolarHBondContact O-N 2.73Å
183	I	98.7	Very high	97	Very high	8 Å²	8	22.6 Å²	22.6	4%	0.041	12%	0.12	C	C	.	.	H	α-helix	trans	-54.5	-43.2	177.5	-66.2	166.8	0	0	0	110.6	A150 T153 H155 Y186 F187 D232 L236	A150-I183 HydrophobicContact CB-CB 4.03Å; A150-I183 HydrophobicContact CB-CG2 4.05Å; A150-I183 PolarHBondContact O-N 3.02Å; A150-I183 VanDerWaalsContact O-N 3.12Å; T153-I183 HydrophobicContact CG2-CD1 4.19Å; T153-I183 PolarHBondContact O-N 3.09Å; H155-I183 HydrophobicContact CB-CG1 4.21Å; I183-Y186 WeakPolarHBondContact O-CB 3.15Å; I183-F187 PolarHBondContact O-N 2.74Å; I183-D232 HydrophobicContact CG2-CB 3.75Å; I183-L236 HydrophobicContact CD1-CB 4.3Å; I183-L236 HydrophobicContact CD1-CD1 4.18Å; I183-L236 HydrophobicContact CD1-CD2 4.13Å; I183-L236 HydrophobicContact CD1-CG 4.44Å
184	Y	98.8	Very high	97.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-73.7	-37.2	176.7	-161.6	-82.7	0	0	0	112.5	L147 A150 K151 S182 Y186 F187 V188 W284 A389 P392 V395	L147-Y184 HydrophobicContact CD2-CD2 4.04Å; L147-Y184 HydrophobicContact CD2-CE2 3.94Å; A150-Y184 PolarHBondContact O-N 2.72Å; K151-Y184 HydrophobicContact CD-CD1 4.02Å; K151-Y184 HydrophobicContact CD-CG 4.38Å; S182-Y184 PolarHBondContact O-N 3.27Å; Y184-Y186 VanDerWaalsContact C-N 3.27Å; Y184-Y186 PolarHBondContact O-N 2.84Å; Y184-F187 HydrophobicContact CE1-CD1 4.41Å; Y184-F187 HydrophobicContact CE2-CD1 4.24Å; Y184-F187 WeakPolarHBondContact O-CB 3.29Å; Y184-F187 PolarHBondContact O-N 3.11Å; Y184-V188 HydrophobicContact CD1-CG2 3.88Å; Y184-V188 HydrophobicContact CE1-CG2 3.67Å; Y184-V188 WeakPolarHBondContact O-CG2 3.17Å; Y184-V188 PolarHBondContact O-N 3.34Å; Y184-W284 AromaticContact CD1-CH2 3.98Å; Y184-W284 HydrophobicContact CD1-CH2 3.98Å; Y184-W284 AromaticContact CD1-CZ3 3.76Å; Y184-W284 HydrophobicContact CD1-CZ3 3.76Å; Y184-W284 AromaticContact CD2-CH2 3.87Å; Y184-W284 HydrophobicContact CD2-CH2 3.87Å; Y184-W284 HydrophobicContact CD2-CZ3 4.36Å; Y184-W284 HydrophobicContact CE1-CE3 4.47Å; Y184-W284 HydrophobicContact CE1-CH2 4Å; Y184-W284 AromaticContact CE1-CZ3 3.49Å; Y184-W284 HydrophobicContact CE1-CZ3 3.49Å; Y184-W284 VanDerWaalsContact CE1-CZ3 3.49Å; Y184-W284 AromaticContact CE2-CH2 3.87Å; Y184-W284 HydrophobicContact CE2-CH2 3.87Å; Y184-W284 HydrophobicContact CE2-CZ3 4.11Å; Y184-W284 AromaticContact CG-CH2 3.93Å; Y184-W284 HydrophobicContact CG-CH2 3.93Å; Y184-W284 HydrophobicContact CG-CZ3 4.2Å; Y184-W284 AromaticContact CZ-CH2 3.97Å; Y184-W284 AromaticContact CZ-CZ3 3.71Å; Y184-A389 VanDerWaalsContact CE1-O 3.24Å; Y184-A389 WeakPolarHBondContact CE1-O 3.5Å; Y184-A389 PolarHBondContact OH-O 3.1Å; Y184-P392 WeakPolarHBondContact OH-CA 3.46Å; Y184-V395 HydrophobicContact CE2-CG2 4Å
185	N	98.7	Very high	97.6	Very high	13 Å²	13	16.3 Å²	16.3	7%	0.07	8%	0.084	C	C	.	.	H	α-helix	trans	-68.6	-27.3	175.9	-74.1	2.4	0	0	0	112.3	K151 C181 S182 V188 W189 V287	K151-N185 WeakPolarHBondContact CD-OD1 3.21Å; K151-N185 WeakPolarHBondContact CE-OD1 3.48Å; K151-N185 PolarHBondContact NZ-OD1 3.3Å; C181-N185 HydrophobicContact CB-CB 4.02Å; S182-N185 PolarHBondContact O-N 3.1Å; S182-N185 VanDerWaalsContact O-N 3.12Å; S182-N185 WeakPolarHBondContact OG-CB 3.13Å; S182-N185 VanDerWaalsContact OG-CG 3.29Å; S182-N185 PolarHBondContact OG-N 3.13Å; N185-V188 PolarHBondContact O-N 3.43Å; N185-W189 WeakPolarHBondContact O-CB 3.4Å; N185-W189 PolarHBondContact O-N 2.98Å; N185-V287 HydrophobicContact CB-CG2 4.31Å; N185-V287 WeakPolarHBondContact ND2-CG1 3.41Å
186	Y	98.7	Very high	97.8	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.016	6%	0.057	C	C	.	.	H	α-helix	trans	-62.8	-48.9	168.7	-179.1	-118.7	0	0	0	110.6	Q26 H155 Y158 I160 S182 I183 Y184 V188 W189 L190	Q26-Y186 PolarHBondContact NE2-OH 2.98Å; H155-Y186 AromaticContact CD2-CD1 3.5Å; H155-Y186 AromaticContact CD2-CG 3.87Å; H155-Y186 AromaticContact NE2-CD1 3.84Å; Y158-Y186 VanDerWaalsContact CB-CE2 3.44Å; Y158-Y186 AromaticContact CD2-CE1 3.69Å; Y158-Y186 HydrophobicContact CD2-CE1 3.69Å; Y158-Y186 AromaticContact CD2-CZ 3.76Å; Y158-Y186 AromaticContact CG-CE1 3.93Å; Y158-Y186 HydrophobicContact CG-CE1 3.93Å; Y158-Y186 HydrophobicContact CG-CE2 4.07Å; Y158-Y186 AromaticContact CG-CZ 3.53Å; I160-Y186 HydrophobicContact CG2-CD2 4.37Å; S182-Y186 WeakPolarHBondContact O-CB 3.37Å; S182-Y186 PolarHBondContact O-N 2.73Å; I183-Y186 WeakPolarHBondContact O-CB 3.15Å; Y184-Y186 VanDerWaalsContact C-N 3.27Å; Y184-Y186 PolarHBondContact O-N 2.84Å; Y186-V188 VanDerWaalsContact C-N 3.31Å; Y186-V188 PolarHBondContact O-N 2.75Å; Y186-W189 PolarHBondContact O-N 3.32Å; Y186-W189 VanDerWaalsContact O-N 3.1Å; Y186-L190 HydrophobicContact CD1-CD1 4.02Å; Y186-L190 HydrophobicContact CE1-CD1 3.75Å; Y186-L190 HydrophobicContact CE1-CD2 4.49Å; Y186-L190 HydrophobicContact CE1-CG 4.31Å; Y186-L190 HydrophobicContact CE2-CD2 4.18Å; Y186-L190 HydrophobicContact CE2-CG 4.26Å; Y186-L190 VanDerWaalsContact O-CG 3.31Å; Y186-L190 WeakPolarHBondContact O-CG 3.31Å; Y186-L190 PolarHBondContact O-N 3.05Å
187	F	98.8	Very high	97.9	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.018	6%	0.056	C	C	.	.	H	α-helix	trans	-54	-44.4	172.6	175	-95.5	0	0	0	112.4	I183 Y184 H225 L229 A389 F394 V395	I183-F187 PolarHBondContact O-N 2.74Å; Y184-F187 HydrophobicContact CE1-CD1 4.41Å; Y184-F187 HydrophobicContact CE2-CD1 4.24Å; Y184-F187 WeakPolarHBondContact O-CB 3.29Å; Y184-F187 PolarHBondContact O-N 3.11Å; F187-H225 AromaticContact CD2-CD2 3.51Å; F187-H225 AromaticContact CD2-CE1 3.53Å; F187-H225 AromaticContact CD2-CG 3.94Å; F187-H225 AromaticContact CD2-ND1 3.96Å; F187-H225 AromaticContact CD2-NE2 3.22Å; F187-H225 WeakPolarHBondContact CD2-NE2 3.3Å; F187-H225 AromaticContact CE1-CE1 3.74Å; F187-H225 AromaticContact CE2-CD2 3.61Å; F187-H225 AromaticContact CE2-CE1 3.17Å; F187-H225 WeakPolarHBondContact CE2-CE1 3.45Å; F187-H225 AromaticContact CE2-CG 3.54Å; F187-H225 AromaticContact CE2-ND1 3.27Å; F187-H225 VanDerWaalsContact CE2-ND1 3.27Å; F187-H225 WeakPolarHBondContact CE2-ND1 3.42Å; F187-H225 AromaticContact CE2-NE2 3.38Å; F187-H225 WeakPolarHBondContact CE2-NE2 3.28Å; F187-H225 AromaticContact CG-CE1 3.99Å; F187-H225 AromaticContact CG-NE2 3.65Å; F187-H225 AromaticContact CZ-CE1 3.28Å; F187-H225 WeakPolarHBondContact CZ-CE1 3.4Å; F187-H225 AromaticContact CZ-ND1 3.53Å; F187-H225 AromaticContact CZ-NE2 3.89Å; F187-H225 PolarHBondContact O-NE2 3.13Å; F187-L229 HydrophobicContact CB-CD1 4.31Å; F187-L229 HydrophobicContact CD1-CD2 4.3Å; F187-L229 HydrophobicContact CD2-CB 3.68Å; F187-L229 HydrophobicContact CD2-CD1 4.42Å; F187-L229 HydrophobicContact CD2-CD2 3.79Å; F187-L229 HydrophobicContact CD2-CG 4.16Å; F187-L229 HydrophobicContact CE1-CD2 4.25Å; F187-L229 HydrophobicContact CE2-CB 3.97Å; F187-L229 HydrophobicContact CE2-CD2 3.71Å; F187-L229 HydrophobicContact CE2-CG 4.42Å; F187-L229 HydrophobicContact CG-CB 4.46Å; F187-L229 HydrophobicContact CG-CD1 4.39Å; F187-L229 HydrophobicContact CG-CD2 4.08Å; F187-L229 HydrophobicContact CZ-CD2 3.96Å; F187-A389 HydrophobicContact CD1-CB 4.36Å; F187-A389 HydrophobicContact CE1-CB 4.1Å; F187-F394 AromaticContact CE1-CD1 3.76Å; F187-F394 HydrophobicContact CE1-CD1 3.76Å; F187-F394 HydrophobicContact CE1-CE1 4.07Å; F187-F394 AromaticContact CZ-CD1 3.69Å; F187-F394 HydrophobicContact CZ-CD1 3.69Å; F187-F394 AromaticContact CZ-CE1 3.74Å; F187-F394 HydrophobicContact CZ-CE1 3.74Å; F187-V395 HydrophobicContact CE1-CG2 3.93Å; F187-V395 HydrophobicContact CZ-CG2 4.01Å
188	V	98.8	Very high	98	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-62.7	-46.7	173.8	177.5	0	0	0	0	112.1	Y184 N185 Y186 L190 H191 Y192 V287 A389 N390	Y184-V188 HydrophobicContact CD1-CG2 3.88Å; Y184-V188 HydrophobicContact CE1-CG2 3.67Å; Y184-V188 WeakPolarHBondContact O-CG2 3.17Å; Y184-V188 PolarHBondContact O-N 3.34Å; N185-V188 PolarHBondContact O-N 3.43Å; Y186-V188 VanDerWaalsContact C-N 3.31Å; Y186-V188 PolarHBondContact O-N 2.75Å; V188-L190 PolarHBondContact O-N 3.34Å; V188-H191 PolarHBondContact O-N 3.03Å; V188-Y192 PolarHBondContact O-N 3.25Å; V188-V287 HydrophobicContact CB-CG2 4.07Å; V188-V287 HydrophobicContact CG1-CG2 3.68Å; V188-A389 HydrophobicContact CB-CB 4.47Å; V188-A389 HydrophobicContact CG2-CB 4.22Å; V188-N390 WeakPolarHBondContact CG1-ND2 3.43Å
189	W	98.8	Very high	98	Very high	1 Å²	1	7 Å²	7	0%	0.004	4%	0.04	C	C	.	.	H	α-helix	trans	-66.8	-36.7	-174.3	-168	101.9	0	0	0	112.8	Q26 I160 A161 N185 Y186 H191 Y192 Y193 L300 C301 P436	Q26-W189 HydrophobicContact CB-CE3 4.41Å; Q26-W189 HydrophobicContact CB-CH2 3.9Å; Q26-W189 HydrophobicContact CB-CZ3 3.64Å; Q26-W189 HydrophobicContact CG-CE3 4.44Å; Q26-W189 HydrophobicContact CG-CH2 4.2Å; Q26-W189 HydrophobicContact CG-CZ3 3.6Å; I160-W189 HydrophobicContact CB-CD2 3.92Å; I160-W189 HydrophobicContact CB-CG 3.98Å; I160-W189 HydrophobicContact CB-CZ2 4.34Å; I160-W189 HydrophobicContact CD1-CG 4.34Å; I160-W189 HydrophobicContact CG2-CB 3.64Å; I160-W189 HydrophobicContact CG2-CD2 3.42Å; I160-W189 VanDerWaalsContact CG2-CD2 3.42Å; I160-W189 HydrophobicContact CG2-CE3 3.94Å; I160-W189 HydrophobicContact CG2-CG 3.29Å; A161-W189 HydrophobicContact CB-CH2 4.41Å; A161-W189 HydrophobicContact CB-CZ2 4.27Å; A161-W189 VanDerWaalsContact O-CZ2 3.29Å; A161-W189 WeakPolarHBondContact O-CZ2 3.43Å; N185-W189 WeakPolarHBondContact O-CB 3.4Å; N185-W189 PolarHBondContact O-N 2.98Å; Y186-W189 PolarHBondContact O-N 3.32Å; Y186-W189 VanDerWaalsContact O-N 3.1Å; W189-H191 VanDerWaalsContact C-N 3.27Å; W189-H191 PolarHBondContact O-N 3.21Å; W189-Y192 HydrophobicContact CG-CD1 4.4Å; W189-Y192 PolarHBondContact O-N 2.98Å; W189-Y193 HydrophobicContact CE3-CG 4.36Å; W189-Y193 HydrophobicContact CH2-CD1 4.42Å; W189-Y193 AromaticContact CH2-CD2 3.13Å; W189-Y193 HydrophobicContact CH2-CD2 3.13Å; W189-Y193 AromaticContact CH2-CE2 3.6Å; W189-Y193 HydrophobicContact CH2-CE2 3.6Å; W189-Y193 AromaticContact CH2-CG 3.6Å; W189-Y193 HydrophobicContact CH2-CG 3.6Å; W189-Y193 AromaticContact CZ2-CD2 3.58Å; W189-Y193 HydrophobicContact CZ2-CD2 3.58Å; W189-Y193 HydrophobicContact CZ2-CE2 4.18Å; W189-Y193 HydrophobicContact CZ2-CG 4.28Å; W189-Y193 HydrophobicContact CZ3-CD1 4.3Å; W189-Y193 AromaticContact CZ3-CD2 3.7Å; W189-Y193 HydrophobicContact CZ3-CD2 3.7Å; W189-Y193 HydrophobicContact CZ3-CE2 4.39Å; W189-Y193 AromaticContact CZ3-CG 3.62Å; W189-Y193 HydrophobicContact CZ3-CG 3.62Å; W189-Y193 VanDerWaalsContact O-CB 3.32Å; W189-Y193 WeakPolarHBondContact O-CB 3.3Å; W189-Y193 PolarHBondContact O-N 2.91Å; W189-L300 HydrophobicContact CZ2-CD1 4.17Å; W189-C301 PolarHBondContact NE1-O 2.95Å; W189-P436 HydrophobicContact CZ3-CG 4.09Å
190	L	98.8	Very high	97.9	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.01	6%	0.055	C	C	.	.	H	α-helix	trans	-50.8	-48.7	171.7	-73.9	168.9	0	0	0	111.2	Y186 V188 S194 W221 L228 P436 F437	Y186-L190 HydrophobicContact CD1-CD1 4.02Å; Y186-L190 HydrophobicContact CE1-CD1 3.75Å; Y186-L190 HydrophobicContact CE1-CD2 4.49Å; Y186-L190 HydrophobicContact CE1-CG 4.31Å; Y186-L190 HydrophobicContact CE2-CD2 4.18Å; Y186-L190 HydrophobicContact CE2-CG 4.26Å; Y186-L190 VanDerWaalsContact O-CG 3.31Å; Y186-L190 WeakPolarHBondContact O-CG 3.31Å; Y186-L190 PolarHBondContact O-N 3.05Å; V188-L190 PolarHBondContact O-N 3.34Å; L190-S194 PolarHBondContact O-N 3.08Å; L190-S194 VanDerWaalsContact O-N 3.16Å; L190-W221 HydrophobicContact CB-CH2 4.44Å; L190-L228 HydrophobicContact CD1-CD1 4.19Å; L190-P436 HydrophobicContact CD2-CG 3.87Å; L190-P436 WeakPolarHBondContact O-CD 3.32Å; L190-F437 HydrophobicContact CB-CE1 4.48Å; L190-F437 HydrophobicContact CD1-CD1 4.37Å; L190-F437 HydrophobicContact CD1-CE1 4.06Å; L190-F437 HydrophobicContact CD2-CD1 3.88Å; L190-F437 HydrophobicContact CD2-CE1 4.09Å; L190-F437 HydrophobicContact CG-CE1 4.46Å
191	H	98.8	Very high	97.8	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-71	-46.9	-179.8	-170.4	-86.4	0	0	0	112.1	V188 W189 Y193 S194 V195 H213 W221 H222 S385 A389 F394	V188-H191 PolarHBondContact O-N 3.03Å; W189-H191 VanDerWaalsContact C-N 3.27Å; W189-H191 PolarHBondContact O-N 3.21Å; H191-Y193 PolarHBondContact O-N 3.46Å; H191-S194 PolarHBondContact O-N 2.97Å; H191-S194 PolarHBondContact O-OG 3.48Å; H191-V195 WeakPolarHBondContact O-CG2 3.29Å; H191-V195 PolarHBondContact O-N 2.57Å; H191-H213 AromaticContact CE1-CE1 3.7Å; H191-H213 AromaticContact NE2-CE1 3.28Å; H191-H213 PolarHBondContact NE2-CE1 2.83Å; H191-H213 VanDerWaalsContact NE2-CE1 3.28Å; H191-H213 AromaticContact NE2-NE2 3.68Å; H191-W221 HydrophobicContact CB-CH2 3.97Å; H191-W221 HydrophobicContact CB-CZ3 4.49Å; H191-W221 AromaticContact CD2-CZ3 3.76Å; H191-H222 AromaticContact CD2-NE2 3.62Å; H191-H222 AromaticContact NE2-NE2 3.48Å; H191-H222 PolarHBondContact NE2-NE2 3.44Å; H191-S385 PolarHBondContact CE1-O 2.85Å; H191-S385 PolarHBondContact ND1-O 2.82Å; H191-A389 HydrophobicContact CB-CB 4.11Å; H191-F394 AromaticContact CD2-CE2 3.92Å; H191-F394 AromaticContact CD2-CZ 3.4Å; H191-F394 VanDerWaalsContact CD2-CZ 3.4Å; H191-F394 WeakPolarHBondContact CD2-CZ 3.3Å; H191-F394 AromaticContact NE2-CE2 3.51Å; H191-F394 AromaticContact NE2-CZ 3.43Å; H191-F394 WeakPolarHBondContact NE2-CZ 3.45Å
192	Y	98.8	Very high	97.7	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-50.3	-47.8	172.2	156.7	-98.5	0	0	0	111.5	V188 W189 V195 R196 C288 L291 Y294 C301 H386	V188-Y192 PolarHBondContact O-N 3.25Å; W189-Y192 HydrophobicContact CG-CD1 4.4Å; W189-Y192 PolarHBondContact O-N 2.98Å; Y192-V195 PolarHBondContact O-N 2.81Å; Y192-R196 HydrophobicContact CD2-CB 4.44Å; Y192-R196 HydrophobicContact CE2-CB 3.97Å; Y192-R196 VanDerWaalsContact O-CB 3.3Å; Y192-R196 WeakPolarHBondContact O-CB 3.49Å; Y192-R196 PolarHBondContact O-N 2.91Å; Y192-C288 HydrophobicContact CD1-CB 4.25Å; Y192-C288 HydrophobicContact CD2-CB 3.61Å; Y192-C288 HydrophobicContact CE2-CB 4.32Å; Y192-C288 HydrophobicContact CG-CB 3.57Å; Y192-L291 HydrophobicContact CE2-CD1 4.21Å; Y192-Y294 AromaticContact CE2-CD2 3.67Å; Y192-Y294 HydrophobicContact CE2-CD2 3.67Å; Y192-Y294 AromaticContact CE2-CE2 3.78Å; Y192-Y294 HydrophobicContact CE2-CE2 3.78Å; Y192-Y294 AromaticContact CZ-CD2 3.75Å; Y192-Y294 VanDerWaalsContact OH-CD2 3.25Å; Y192-Y294 WeakPolarHBondContact OH-CD2 3.48Å; Y192-C301 HydrophobicContact CD1-CB 3.66Å; Y192-C301 HydrophobicContact CD2-CB 4.42Å; Y192-C301 HydrophobicContact CE1-CB 3.38Å; Y192-C301 HydrophobicContact CE2-CB 4.18Å; Y192-C301 HydrophobicContact CG-CB 4.19Å; Y192-C301 PolarHBondContact OH-N 2.97Å; Y192-H386 WeakPolarHBondContact CB-O 3.08Å; Y192-H386 HydrophobicContact CD2-CB 4.2Å
193	Y	98.6	Very high	97.3	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-74.5	-27.3	-173.8	-173.6	-83.4	0	0	0	112.6	D84 R85 W88 W189 H191 L300 V435 P436	D84-Y193 PolarHBondContact OD1-OH 3.24Å; D84-Y193 PolarHBondContact OD2-OH 3.38Å; R85-Y193 VanDerWaalsContact CD-O 3.25Å; R85-Y193 WeakPolarHBondContact CD-O 3.46Å; R85-Y193 HydrophobicContact CG-CD1 4.24Å; R85-Y193 HydrophobicContact CG-CE1 3.59Å; R85-Y193 PolarHBondContact NH1-O 3.2Å; W88-Y193 HydrophobicContact CH2-CE1 4.38Å; W88-Y193 AromaticContact CZ3-CE1 3.91Å; W88-Y193 HydrophobicContact CZ3-CE1 3.91Å; W189-Y193 HydrophobicContact CE3-CG 4.36Å; W189-Y193 HydrophobicContact CH2-CD1 4.42Å; W189-Y193 AromaticContact CH2-CD2 3.13Å; W189-Y193 HydrophobicContact CH2-CD2 3.13Å; W189-Y193 AromaticContact CH2-CE2 3.6Å; W189-Y193 HydrophobicContact CH2-CE2 3.6Å; W189-Y193 AromaticContact CH2-CG 3.6Å; W189-Y193 HydrophobicContact CH2-CG 3.6Å; W189-Y193 AromaticContact CZ2-CD2 3.58Å; W189-Y193 HydrophobicContact CZ2-CD2 3.58Å; W189-Y193 HydrophobicContact CZ2-CE2 4.18Å; W189-Y193 HydrophobicContact CZ2-CG 4.28Å; W189-Y193 HydrophobicContact CZ3-CD1 4.3Å; W189-Y193 AromaticContact CZ3-CD2 3.7Å; W189-Y193 HydrophobicContact CZ3-CD2 3.7Å; W189-Y193 HydrophobicContact CZ3-CE2 4.39Å; W189-Y193 AromaticContact CZ3-CG 3.62Å; W189-Y193 HydrophobicContact CZ3-CG 3.62Å; W189-Y193 VanDerWaalsContact O-CB 3.32Å; W189-Y193 WeakPolarHBondContact O-CB 3.3Å; W189-Y193 PolarHBondContact O-N 2.91Å; H191-Y193 PolarHBondContact O-N 3.46Å; Y193-L300 HydrophobicContact CD2-CD1 4.23Å; Y193-L300 HydrophobicContact CD2-CD2 4.32Å; Y193-L300 HydrophobicContact CE2-CD1 3.81Å; Y193-L300 HydrophobicContact CE2-CD2 4.24Å; Y193-V435 HydrophobicContact CD1-CG1 4.16Å; Y193-V435 HydrophobicContact CE1-CG1 4.04Å; Y193-P436 HydrophobicContact CD1-CB 3.41Å; Y193-P436 VanDerWaalsContact CD1-CB 3.41Å; Y193-P436 HydrophobicContact CD1-CG 3.56Å; Y193-P436 HydrophobicContact CE1-CB 3.56Å; Y193-P436 HydrophobicContact CE1-CG 4.24Å; Y193-P436 HydrophobicContact CG-CB 4.36Å; Y193-P436 HydrophobicContact CG-CG 4.15Å
194	S	98.7	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69.4	-37.1	171.7	66.8	0	0	0	0	112.2	R85 L190 H191 F211 S212 V435	R85-S194 PolarHBondContact NH1-O 2.71Å; R85-S194 VanDerWaalsContact NH1-O 3.14Å; L190-S194 PolarHBondContact O-N 3.08Å; L190-S194 VanDerWaalsContact O-N 3.16Å; H191-S194 PolarHBondContact O-N 2.97Å; H191-S194 PolarHBondContact O-OG 3.48Å; S194-F211 WeakPolarHBondContact O-CD2 3.46Å; S194-F211 PolarHBondContact O-N 2.88Å; S194-S212 PolarHBondContact OG-OG 3.32Å; S194-V435 WeakPolarHBondContact CB-O 3.46Å
195	V	98.1	Very high	97	Very high	13 Å²	13	26.5 Å²	26.5	8%	0.079	15%	0.149	C	C	.	.	H	α-helix	trans	-101.9	-5.9	-174.2	-48	0	0	0	0	116	H191 Y192 S212 H213 H386	H191-V195 WeakPolarHBondContact O-CG2 3.29Å; H191-V195 PolarHBondContact O-N 2.57Å; Y192-V195 PolarHBondContact O-N 2.81Å; V195-S212 WeakPolarHBondContact CG1-OG 3.43Å; V195-H213 WeakPolarHBondContact CG1-ND1 3.44Å; V195-H386 VanDerWaalsContact CG2-CA 3.5Å; V195-H386 HydrophobicContact CG2-CB 4.07Å
196	R	97.5	Very high	96.9	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.008	16%	0.156	C	C	.	.	S	Bend	trans	-63.8	160.4	179.5	66.9	172	-132.7	-81.6	-4.5	112.6	D83 D84 R85 Y192 L291	D83-R196 IonicContact OD1-NH2 2.7Å; D84-R196 IonicContact OD1-CZ 3.99Å; D84-R196 IonicContact OD1-NH1 2.73Å; D84-R196 PolarHBondContact OD1-NH1 3.07Å; D84-R196 IonicContact OD1-NH2 3.19Å; D84-R196 PolarHBondContact OD1-NH2 3.29Å; D84-R196 IonicContact OD2-NH2 2.8Å; R85-R196 VanDerWaalsContact CZ-O 3.24Å; R85-R196 PolarHBondContact NH1-O 3.43Å; R85-R196 PolarHBondContact NH2-O 3.14Å; Y192-R196 HydrophobicContact CD2-CB 4.44Å; Y192-R196 HydrophobicContact CE2-CB 3.97Å; Y192-R196 VanDerWaalsContact O-CB 3.3Å; Y192-R196 WeakPolarHBondContact O-CB 3.49Å; Y192-R196 PolarHBondContact O-N 2.91Å; R196-L291 HydrophobicContact CB-CD1 4.31Å
197	D	97.8	Very high	96.8	Very high	17 Å²	17	32.4 Å²	32.4	9%	0.091	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-68.8	156.7	175.7	-54.3	-42.6	0	0	0	113.1	R85 P205 T207 N295	R85-D197 PolarHBondContact NH2-O 3.23Å; D197-P205 HydrophobicContact CB-CB 3.67Å; D197-T207 HydrophobicContact CB-CG2 4.36Å; D197-T207 WeakPolarHBondContact OD1-CA 3.13Å; D197-T207 VanDerWaalsContact OD1-CB 3.31Å; D197-T207 WeakPolarHBondContact OD1-CB 3.28Å; D197-T207 WeakPolarHBondContact OD1-CG2 3.23Å; D197-N295 PolarHBondContact OD2-ND2 2.96Å
198	T	97.8	Very high	96.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.1	169.7	-62.6	0	0	0	0	110.5	Y77 V82 D83 L200 P205 F206 I209	Y77-T198 HydrophobicContact CE2-CG2 4.39Å; V82-T198 HydrophobicContact CG2-CG2 4.08Å; D83-T198 HydrophobicContact CB-CG2 3.82Å; D83-T198 VanDerWaalsContact OD2-CA 3.26Å; D83-T198 WeakPolarHBondContact OD2-CA 3.31Å; D83-T198 WeakPolarHBondContact OD2-CB 3.45Å; D83-T198 WeakPolarHBondContact OD2-CG2 3.38Å; D83-T198 PolarHBondContact OD2-OG1 2.93Å; T198-L200 HydrophobicContact CG2-CD2 3.63Å; T198-L200 HydrophobicContact CG2-CG 4.21Å; T198-L200 PolarHBondContact O-N 3.26Å; T198-P205 CarbonylContact O-C 3.58Å; T198-P205 VanDerWaalsContact O-CA 3.29Å; T198-P205 WeakPolarHBondContact O-CA 3.01Å; T198-F206 PolarHBondContact N-O 2.78Å; T198-F206 PolarHBondContact O-N 2.78Å; T198-I209 WeakPolarHBondContact OG1-CD1 3.19Å
199	L	96.6	Very high	96.5	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.047	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	83	-173.8	-55.3	174.4	0	0	0	112	G201 N295 V298 T299 L300	L199-G201 VanDerWaalsContact C-N 3.3Å; L199-G201 PolarHBondContact O-N 3.03Å; L199-N295 WeakPolarHBondContact CD2-OD1 3.46Å; L199-V298 HydrophobicContact CB-CG1 4.08Å; L199-T299 WeakPolarHBondContact CD1-O 3.22Å; L199-L300 HydrophobicContact CD1-CD2 4.07Å
200	L	94.7	Very high	96.5	Very high	83 Å²	83	35.6 Å²	35.6	44%	0.435	21%	0.206	S	C	.	.			trans	-78.2	-11.1	-178.3	-51.4	174	0	0	0	114.3	L79 V82 T198 R204 F206	L79-L200 HydrophobicContact CD1-CD1 3.9Å; L79-L200 HydrophobicContact CD1-CD2 3.76Å; L79-L200 HydrophobicContact CD1-CG 4.42Å; V82-L200 HydrophobicContact CB-CD2 3.91Å; V82-L200 HydrophobicContact CG1-CD2 4.41Å; V82-L200 HydrophobicContact CG2-CD2 3.75Å; T198-L200 HydrophobicContact CG2-CD2 3.63Å; T198-L200 HydrophobicContact CG2-CG 4.21Å; T198-L200 PolarHBondContact O-N 3.26Å; L200-R204 WeakPolarHBondContact CB-O 3.31Å; L200-R204 PolarHBondContact N-O 3.36Å; L200-F206 HydrophobicContact CD1-CB 3.94Å; L200-F206 HydrophobicContact CG-CB 4.44Å
201	G	92.4	Very high	96.5	Very high	13 Å²	13	35.5 Å²	35.5	13%	0.134	21%	0.205	C	C	.	.	S	Bend	trans	153.3	173.6	-179.1	0	0	0	0	0	112	L199 G203 R204	L199-G201 VanDerWaalsContact C-N 3.3Å; L199-G201 PolarHBondContact O-N 3.03Å; G201-G203 PolarHBondContact O-N 3.16Å; G201-R204 PolarHBondContact O-N 2.98Å
202	P	93.6	Very high	96.4	Very high	103 Å²	103	35.5 Å²	35.5	67%	0.669	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	113.7	-172.7	-28.1	36.5	0	0	0	113	R204 R296 V298	P202-R204 PolarHBondContact O-N 3.27Å; P202-R296 VanDerWaalsContact CA-O 3.32Å; P202-R296 WeakPolarHBondContact CA-O 3.28Å; P202-R296 WeakPolarHBondContact CB-O 3.4Å; P202-V298 HydrophobicContact CB-CG2 4.49Å; P202-V298 HydrophobicContact CG-CG2 4.02Å
203	G	90.6	Very high	96.4	Very high	49 Å²	49	36 Å²	36	51%	0.505	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	21.8	-180	0	0	0	0	0	114.1	G201 N295	G201-G203 PolarHBondContact O-N 3.16Å; G203-N295 PolarHBondContact N-O 3.17Å
204	R	93.9	Very high	96.4	Very high	192 Å²	192	38 Å²	38	73%	0.725	22%	0.217	S	C	*	.			trans	-125.7	59.8	178.3	-61.8	-178	-177.7	-174.2	-0.4	111.4	L200 G201 P202	L200-R204 WeakPolarHBondContact CB-O 3.31Å; L200-R204 PolarHBondContact N-O 3.36Å; G201-R204 PolarHBondContact O-N 2.98Å; P202-R204 PolarHBondContact O-N 3.27Å
205	P	95.9	Very high	96.3	Very high	45 Å²	45	38 Å²	38	29%	0.292	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	153.2	174.1	30.6	-34.9	0	0	0	111.3	D197 T198 T207 N295	D197-P205 HydrophobicContact CB-CB 3.67Å; T198-P205 CarbonylContact O-C 3.58Å; T198-P205 VanDerWaalsContact O-CA 3.29Å; T198-P205 WeakPolarHBondContact O-CA 3.01Å; P205-T207 HydrophobicContact CB-CG2 4.13Å; P205-T207 HydrophobicContact CG-CG2 4.12Å; P205-N295 HydrophobicContact CB-CB 4.16Å; P205-N295 HydrophobicContact CG-CB 4.09Å
206	F	97.1	Very high	96.3	Very high	50 Å²	50	37.4 Å²	37.4	22%	0.219	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.5	156.9	174.7	-80.8	0	0	0	108.5	P76 Y77 L79 T198 L200 A208 I209	P76-F206 WeakPolarHBondContact O-CZ 3.17Å; Y77-F206 AromaticContact CD2-CD1 3.76Å; Y77-F206 HydrophobicContact CD2-CD1 3.76Å; Y77-F206 AromaticContact CD2-CE1 3.57Å; Y77-F206 HydrophobicContact CD2-CE1 3.57Å; Y77-F206 HydrophobicContact CD2-CZ 4.36Å; Y77-F206 HydrophobicContact CE2-CD1 4.27Å; Y77-F206 HydrophobicContact CE2-CE1 4.49Å; Y77-F206 HydrophobicContact CG-CE1 4.37Å; L79-F206 HydrophobicContact CD1-CB 4.28Å; L79-F206 HydrophobicContact CD1-CD2 4.34Å; L79-F206 HydrophobicContact CD1-CG 4.23Å; T198-F206 PolarHBondContact N-O 2.78Å; T198-F206 PolarHBondContact O-N 2.78Å; L200-F206 HydrophobicContact CD1-CB 3.94Å; L200-F206 HydrophobicContact CG-CB 4.44Å; F206-A208 HydrophobicContact CE1-CB 3.91Å; F206-A208 VanDerWaalsContact CE1-O 3.29Å; F206-A208 WeakPolarHBondContact CE1-O 3.49Å; F206-A208 HydrophobicContact CZ-CB 3.83Å; F206-I209 HydrophobicContact CD1-CB 4.33Å; F206-I209 HydrophobicContact CD1-CG2 4.4Å; F206-I209 HydrophobicContact CE1-CB 4.28Å
207	T	96.1	Very high	96.4	Very high	92 Å²	92	37.3 Å²	37.3	56%	0.564	21%	0.213	S	C	*	.			trans	-104.8	-9	-162.8	64.4	0	0	0	0	115	D197 P205 I209	D197-T207 HydrophobicContact CB-CG2 4.36Å; D197-T207 WeakPolarHBondContact OD1-CA 3.13Å; D197-T207 VanDerWaalsContact OD1-CB 3.31Å; D197-T207 WeakPolarHBondContact OD1-CB 3.28Å; D197-T207 WeakPolarHBondContact OD1-CG2 3.23Å; P205-T207 HydrophobicContact CB-CG2 4.13Å; P205-T207 HydrophobicContact CG-CG2 4.12Å; T207-I209 PolarHBondContact O-N 3.3Å; T207-I209 VanDerWaalsContact O-N 3.15Å
208	A	95.6	Very high	96.4	Very high	47 Å²	47	36.5 Å²	36.5	39%	0.388	21%	0.209	S	C	.	.	S	Bend	trans	-91.3	53.4	-179.3	0	0	0	0	0	110.9	P76 F206	P76-A208 HydrophobicContact CB-CB 3.77Å; P76-A208 HydrophobicContact CG-CB 3.98Å; P76-A208 VanDerWaalsContact CG-O 3.28Å; P76-A208 WeakPolarHBondContact CG-O 3.33Å; F206-A208 HydrophobicContact CE1-CB 3.91Å; F206-A208 VanDerWaalsContact CE1-O 3.29Å; F206-A208 WeakPolarHBondContact CE1-O 3.49Å; F206-A208 HydrophobicContact CZ-CB 3.83Å
209	I	96.6	Very high	96.5	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.051	21%	0.211	C	C	.	.			trans	-138.7	137.3	-178.9	-170.1	174.9	0	0	0	109.5	Y77 T198 F206 T207 F211 I426	Y77-I209 HydrophobicContact CD1-CD1 4.34Å; Y77-I209 HydrophobicContact CD2-CB 4.23Å; Y77-I209 HydrophobicContact CD2-CD1 3.61Å; Y77-I209 HydrophobicContact CD2-CG1 4.15Å; Y77-I209 HydrophobicContact CE1-CD1 4.43Å; Y77-I209 HydrophobicContact CE2-CD1 3.69Å; Y77-I209 HydrophobicContact CG-CD1 3.94Å; Y77-I209 HydrophobicContact CG-CG1 4.29Å; T198-I209 WeakPolarHBondContact OG1-CD1 3.19Å; F206-I209 HydrophobicContact CD1-CB 4.33Å; F206-I209 HydrophobicContact CD1-CG2 4.4Å; F206-I209 HydrophobicContact CE1-CB 4.28Å; T207-I209 PolarHBondContact O-N 3.3Å; T207-I209 VanDerWaalsContact O-N 3.15Å; I209-F211 HydrophobicContact CD1-CD2 4.41Å; I209-F211 HydrophobicContact CD1-CE2 3.46Å; I209-F211 VanDerWaalsContact CD1-CE2 3.46Å; I209-F211 HydrophobicContact CD1-CZ 4.01Å; I209-F211 HydrophobicContact CG1-CD2 4.28Å; I209-F211 HydrophobicContact CG1-CE2 3.77Å; I209-I426 HydrophobicContact CD1-CG2 4.18Å; I209-I426 HydrophobicContact CG1-CG2 3.98Å
210	D	97.9	Very high	96.6	Very high	15 Å²	15	36.4 Å²	36.4	8%	0.08	21%	0.208	C	C	.	.			trans	-151.6	144	174.7	-158.3	-49.9	0	0	0	106.9	S212 H213 H428	D210-S212 PolarHBondContact OD1-N 3.15Å; D210-S212 PolarHBondContact OD1-OG 3.07Å; D210-H213 IonicContact OD1-CG 3.99Å; D210-H213 PolarHBondContact OD1-N 3.04Å; D210-H213 IonicContact OD1-ND1 3.18Å; D210-H213 PolarHBondContact OD1-ND1 3.15Å; D210-H213 WeakPolarHBondContact OD2-CB 3.28Å; D210-H213 IonicContact OD2-CG 2.71Å; D210-H213 IonicContact OD2-ND1 2.75Å; D210-H213 PolarHBondContact OD2-ND1 3.25Å; D210-H428 PolarHBondContact O-NE2 3.16Å
211	F	98.6	Very high	96.8	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	19%	0.188	C	C	.	.	S	Bend	trans	-114.2	-1.3	178.3	-74.7	-98.2	0	0	0	112.8	R85 S194 I209 I426 Y432 V435	R85-F211 HydrophobicContact CB-CD1 4.45Å; R85-F211 HydrophobicContact CB-CD2 4.22Å; R85-F211 HydrophobicContact CB-CE1 3.8Å; R85-F211 HydrophobicContact CB-CE2 3.52Å; R85-F211 HydrophobicContact CB-CZ 3.29Å; R85-F211 HydrophobicContact CG-CE2 4.21Å; R85-F211 HydrophobicContact CG-CZ 4.43Å; S194-F211 WeakPolarHBondContact O-CD2 3.46Å; S194-F211 PolarHBondContact O-N 2.88Å; I209-F211 HydrophobicContact CD1-CD2 4.41Å; I209-F211 HydrophobicContact CD1-CE2 3.46Å; I209-F211 VanDerWaalsContact CD1-CE2 3.46Å; I209-F211 HydrophobicContact CD1-CZ 4.01Å; I209-F211 HydrophobicContact CG1-CD2 4.28Å; I209-F211 HydrophobicContact CG1-CE2 3.77Å; F211-I426 HydrophobicContact CE1-CD1 4.11Å; F211-I426 HydrophobicContact CE1-CG1 3.82Å; F211-I426 HydrophobicContact CE1-CG2 4.43Å; F211-I426 HydrophobicContact CZ-CD1 3.86Å; F211-I426 HydrophobicContact CZ-CG1 4.01Å; F211-I426 HydrophobicContact CZ-CG2 4.16Å; F211-Y432 HydrophobicContact CD1-CE1 4.27Å; F211-Y432 HydrophobicContact CE1-CE1 4.12Å; F211-V435 HydrophobicContact CB-CB 4.08Å; F211-V435 HydrophobicContact CB-CG2 4.39Å; F211-V435 HydrophobicContact CD1-CB 4.02Å; F211-V435 HydrophobicContact CD1-CG2 3.45Å; F211-V435 VanDerWaalsContact CD1-CG2 3.45Å; F211-V435 HydrophobicContact CE1-CG2 3.93Å; F211-V435 HydrophobicContact CG-CB 4.14Å; F211-V435 HydrophobicContact CG-CG2 4.08Å
212	S	98.5	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-138.3	-0.4	-175.1	62	0	0	0	0	114.4	S194 V195 D210 F218 W221 H222	S194-S212 PolarHBondContact OG-OG 3.32Å; V195-S212 WeakPolarHBondContact CG1-OG 3.43Å; D210-S212 PolarHBondContact OD1-N 3.15Å; D210-S212 PolarHBondContact OD1-OG 3.07Å; S212-F218 VanDerWaalsContact O-CA 3.31Å; S212-F218 WeakPolarHBondContact O-CA 3.32Å; S212-W221 VanDerWaalsContact CB-CG 3.43Å; S212-H222 PolarHBondContact O-CE1 3.04Å; S212-H222 VanDerWaalsContact O-CE1 3.31Å
213	H	98.4	Very high	97.3	Very high	14 Å²	14	27.2 Å²	27.2	7%	0.065	15%	0.151	C	C	.	.	S	Bend	trans	-140.6	173.3	174.4	-53.7	83.8	0	0	0	111.8	H191 V195 D210 G215 F218 H222 E354 H428	H191-H213 AromaticContact CE1-CE1 3.7Å; H191-H213 AromaticContact NE2-CE1 3.28Å; H191-H213 PolarHBondContact NE2-CE1 2.83Å; H191-H213 VanDerWaalsContact NE2-CE1 3.28Å; H191-H213 AromaticContact NE2-NE2 3.68Å; V195-H213 WeakPolarHBondContact CG1-ND1 3.44Å; D210-H213 IonicContact OD1-CG 3.99Å; D210-H213 PolarHBondContact OD1-N 3.04Å; D210-H213 IonicContact OD1-ND1 3.18Å; D210-H213 PolarHBondContact OD1-ND1 3.15Å; D210-H213 WeakPolarHBondContact OD2-CB 3.28Å; D210-H213 IonicContact OD2-CG 2.71Å; D210-H213 IonicContact OD2-ND1 2.75Å; D210-H213 PolarHBondContact OD2-ND1 3.25Å; H213-G215 PolarHBondContact O-N 2.74Å; H213-F218 AromaticContact CD2-CD2 3.86Å; H213-F218 AromaticContact CD2-CE2 3.98Å; H213-H222 AromaticContact CD2-CE1 3.88Å; H213-H222 AromaticContact CE1-CE1 3.66Å; H213-H222 AromaticContact CE1-NE2 3.8Å; H213-H222 AromaticContact NE2-CE1 3.31Å; H213-H222 PolarHBondContact NE2-CE1 2.88Å; H213-H222 VanDerWaalsContact NE2-CE1 3.31Å; H213-H222 AromaticContact NE2-NE2 3.56Å; H213-E354 VanDerWaalsContact CA-OE1 3.28Å; H213-E354 WeakPolarHBondContact CA-OE1 3.48Å; H213-E354 VanDerWaalsContact CB-OE1 3.31Å; H213-E354 WeakPolarHBondContact CB-OE1 3.47Å; H213-E354 IonicContact CD2-OE1 3.97Å; H213-H428 PolarHBondContact O-CE1 3.13Å; H213-H428 PolarHBondContact O-NE2 3.33Å
214	Q	97.2	Very high	97.7	Very high	43 Å²	43	25.9 Å²	25.9	20%	0.201	13%	0.131	C	C	.	.	S	Bend	trans	61.5	23.6	177.3	-58.6	172.2	76.3	0	0	113	F342 R343 E354 F356	Q214-F342 HydrophobicContact CB-CD2 4.1Å; Q214-F342 HydrophobicContact CB-CE2 3.69Å; Q214-F342 HydrophobicContact CB-CZ 4.33Å; Q214-F342 CarbonylContact O-C 3.25Å; Q214-F342 WeakPolarHBondContact O-CA 3.49Å; Q214-F342 WeakPolarHBondContact O-CD2 3.4Å; Q214-R343 HydrophobicContact CB-CB 4.47Å; Q214-R343 HydrophobicContact CG-CB 4.47Å; Q214-E354 PolarHBondContact N-OE1 3.31Å; Q214-F356 HydrophobicContact CB-CE2 4.43Å; Q214-F356 HydrophobicContact CG-CE2 3.7Å; Q214-F356 HydrophobicContact CG-CZ 3.62Å
215	G	97.7	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-179.2	175.6	179.1	0	0	0	0	0	113.4	H213 A217 F218 F341 R350 H428	H213-G215 PolarHBondContact O-N 2.74Å; G215-A217 PolarHBondContact O-N 3.44Å; G215-F218 WeakPolarHBondContact O-CB 3.41Å; G215-F218 PolarHBondContact O-N 2.65Å; G215-F341 WeakPolarHBondContact CA-O 3.49Å; G215-R350 WeakPolarHBondContact O-CD 3.28Å; G215-H428 WeakPolarHBondContact CA-ND1 3.13Å; G215-H428 PolarHBondContact O-ND1 2.73Å; G215-H428 VanDerWaalsContact O-ND1 3.09Å
216	P	98.2	Very high	98.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40	-50.6	-169.8	-33.8	31.6	0	0	0	116.5	F218 F336 D337 F341 W419 P420 A424 H428	P216-F218 PolarHBondContact O-N 3.41Å; P216-F336 HydrophobicContact CB-CE1 4.13Å; P216-D337 VanDerWaalsContact CD-OD2 3.25Å; P216-D337 WeakPolarHBondContact CD-OD2 3.37Å; P216-D337 WeakPolarHBondContact CG-OD2 3.47Å; P216-F341 VanDerWaalsContact CD-O 3.3Å; P216-F341 WeakPolarHBondContact CD-O 3.47Å; P216-F341 HydrophobicContact CG-CB 3.88Å; P216-F341 HydrophobicContact CG-CD1 4.4Å; P216-F341 HydrophobicContact CG-CG 4.43Å; P216-W419 HydrophobicContact CB-CD2 4.11Å; P216-W419 VanDerWaalsContact CB-CE2 3.42Å; P216-W419 HydrophobicContact CB-CH2 4.07Å; P216-W419 HydrophobicContact CB-CZ2 3.43Å; P216-W419 VanDerWaalsContact CB-CZ2 3.43Å; P216-W419 WeakPolarHBondContact O-CH2 3.23Å; P216-P420 HydrophobicContact CB-CG 4.43Å; P216-P420 HydrophobicContact CG-CG 3.7Å; P216-A424 HydrophobicContact CG-CB 4.25Å; P216-H428 HydrophobicContact CB-CB 4.26Å; P216-H428 HydrophobicContact CG-CB 4.29Å
217	A	98.5	Very high	98.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-12.9	-177.5	0	0	0	0	0	116.2	G215 V219 T220 W221 W419 H428 N443	G215-A217 PolarHBondContact O-N 3.44Å; A217-V219 VanDerWaalsContact C-N 3.27Å; A217-V219 PolarHBondContact O-N 3.17Å; A217-V219 VanDerWaalsContact O-N 3.16Å; A217-T220 PolarHBondContact O-N 3.04Å; A217-T220 PolarHBondContact O-OG1 3.04Å; A217-W221 WeakPolarHBondContact O-CB 3.34Å; A217-W221 PolarHBondContact O-N 2.78Å; A217-W419 HydrophobicContact CB-CZ2 4.3Å; A217-W419 VanDerWaalsContact N-CZ2 3.29Å; A217-H428 HydrophobicContact CB-CB 4.24Å; A217-H428 WeakPolarHBondContact CB-ND1 3.48Å; A217-H428 PolarHBondContact N-ND1 3.2Å; A217-H428 VanDerWaalsContact N-ND1 3.17Å; A217-N443 WeakPolarHBondContact CB-OD1 3.05Å
218	F	98.8	Very high	98.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-45.2	-48.5	179	169.9	-110.7	0	0	0	113.8	S212 H213 G215 P216 H222 R350 L353 E354 H371 T401	S212-F218 VanDerWaalsContact O-CA 3.31Å; S212-F218 WeakPolarHBondContact O-CA 3.32Å; H213-F218 AromaticContact CD2-CD2 3.86Å; H213-F218 AromaticContact CD2-CE2 3.98Å; G215-F218 WeakPolarHBondContact O-CB 3.41Å; G215-F218 PolarHBondContact O-N 2.65Å; P216-F218 PolarHBondContact O-N 3.41Å; F218-H222 AromaticContact CD2-CE1 3.75Å; F218-H222 AromaticContact CD2-ND1 3.57Å; F218-H222 AromaticContact CE2-CE1 3.87Å; F218-H222 AromaticContact CE2-ND1 3.72Å; F218-H222 PolarHBondContact O-N 3.01Å; F218-H222 PolarHBondContact O-ND1 2.9Å; F218-R350 HydrophobicContact CB-CG 4.41Å; F218-L353 HydrophobicContact CE1-CG 4.45Å; F218-E354 HydrophobicContact CD1-CB 3.8Å; F218-E354 HydrophobicContact CD1-CG 4.1Å; F218-E354 HydrophobicContact CD2-CG 4.08Å; F218-E354 HydrophobicContact CE1-CB 3.72Å; F218-E354 HydrophobicContact CE1-CG 4.09Å; F218-E354 HydrophobicContact CE2-CG 4.07Å; F218-E354 HydrophobicContact CG-CB 4.29Å; F218-E354 HydrophobicContact CG-CG 4.1Å; F218-E354 HydrophobicContact CZ-CB 4.13Å; F218-E354 HydrophobicContact CZ-CG 4.08Å; F218-H371 AromaticContact CE2-CE1 3.65Å; F218-H371 AromaticContact CE2-ND1 3.95Å; F218-H371 AromaticContact CE2-NE2 3.74Å; F218-H371 HydrophobicContact CZ-CB 4.27Å; F218-H371 AromaticContact CZ-CD2 3.75Å; F218-H371 AromaticContact CZ-CE1 3.9Å; F218-H371 AromaticContact CZ-CG 3.7Å; F218-H371 AromaticContact CZ-ND1 3.79Å; F218-H371 AromaticContact CZ-NE2 3.89Å; F218-T401 HydrophobicContact CE1-CG2 3.83Å; F218-T401 HydrophobicContact CZ-CG2 3.83Å
219	V	98.6	Very high	98.4	Very high	7 Å²	7	6.2 Å²	6.2	4%	0.042	3%	0.029	C	C	.	.	H	α-helix	trans	-78.4	-40.9	-175	-61.1	0	0	0	0	113.4	A217 R223 F336 L353 F405 W419	A217-V219 VanDerWaalsContact C-N 3.27Å; A217-V219 PolarHBondContact O-N 3.17Å; A217-V219 VanDerWaalsContact O-N 3.16Å; V219-R223 WeakPolarHBondContact O-CB 3.46Å; V219-R223 PolarHBondContact O-N 3.09Å; V219-F336 HydrophobicContact CG2-CE2 3.8Å; V219-F336 HydrophobicContact CG2-CZ 3.75Å; V219-L353 HydrophobicContact CG1-CD2 4.14Å; V219-F405 HydrophobicContact CB-CB 4.34Å; V219-F405 HydrophobicContact CB-CD1 3.54Å; V219-F405 HydrophobicContact CB-CD2 4.14Å; V219-F405 HydrophobicContact CB-CE1 3.78Å; V219-F405 HydrophobicContact CB-CE2 4.37Å; V219-F405 HydrophobicContact CB-CG 3.74Å; V219-F405 HydrophobicContact CB-CZ 4.22Å; V219-F405 HydrophobicContact CG1-CB 4.27Å; V219-F405 HydrophobicContact CG1-CD1 4.35Å; V219-F405 HydrophobicContact CG1-CD2 4.32Å; V219-F405 HydrophobicContact CG1-CG 4.06Å; V219-F405 HydrophobicContact CG2-CD1 3.83Å; V219-F405 HydrophobicContact CG2-CD2 3.97Å; V219-F405 HydrophobicContact CG2-CE1 3.56Å; V219-F405 HydrophobicContact CG2-CE2 3.73Å; V219-F405 HydrophobicContact CG2-CG 4.04Å; V219-F405 HydrophobicContact CG2-CZ 3.53Å; V219-W419 HydrophobicContact CG2-CZ3 4.26Å
220	T	98.7	Very high	98.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-72.2	-37.7	-178.8	45.2	0	0	0	0	111.9	A217 Y224 W419 M434 N443 L446 F447	A217-T220 PolarHBondContact O-N 3.04Å; A217-T220 PolarHBondContact O-OG1 3.04Å; T220-Y224 PolarHBondContact O-N 3.16Å; T220-W419 HydrophobicContact CG2-CH2 3.62Å; T220-W419 HydrophobicContact CG2-CZ3 3.67Å; T220-W419 VanDerWaalsContact OG1-CH2 3.24Å; T220-W419 WeakPolarHBondContact OG1-CH2 3.45Å; T220-M434 VanDerWaalsContact C-SD 3.54Å; T220-N443 HydrophobicContact CG2-CB 4.43Å; T220-N443 WeakPolarHBondContact CG2-O 3.25Å; T220-N443 PolarHBondContact OG1-OD1 3.34Å; T220-L446 HydrophobicContact CG2-CB 4.03Å; T220-F447 HydrophobicContact CG2-CB 4.28Å; T220-F447 HydrophobicContact CG2-CD2 4.17Å
221	W	98.9	Very high	98.5	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-63.7	-52.6	178.3	-167.8	104.8	0	0	0	110.8	L190 H191 S212 A217 R223 Y224 H225 M434 V435 F437	L190-W221 HydrophobicContact CB-CH2 4.44Å; H191-W221 HydrophobicContact CB-CH2 3.97Å; H191-W221 HydrophobicContact CB-CZ3 4.49Å; H191-W221 AromaticContact CD2-CZ3 3.76Å; S212-W221 VanDerWaalsContact CB-CG 3.43Å; A217-W221 WeakPolarHBondContact O-CB 3.34Å; A217-W221 PolarHBondContact O-N 2.78Å; W221-R223 VanDerWaalsContact C-N 3.33Å; W221-R223 PolarHBondContact O-N 3.29Å; W221-Y224 PolarHBondContact O-N 3.23Å; W221-H225 HydrophobicContact CE3-CB 4.02Å; W221-H225 HydrophobicContact CH2-CB 4.19Å; W221-H225 AromaticContact CH2-CD2 3.69Å; W221-H225 AromaticContact CH2-CG 3.75Å; W221-H225 AromaticContact CH2-ND1 3.98Å; W221-H225 AromaticContact CH2-NE2 3.88Å; W221-H225 HydrophobicContact CZ3-CB 3.63Å; W221-H225 AromaticContact CZ3-CD2 3.88Å; W221-H225 AromaticContact CZ3-CE1 3.89Å; W221-H225 AromaticContact CZ3-CG 3.42Å; W221-H225 VanDerWaalsContact CZ3-CG 3.42Å; W221-H225 AromaticContact CZ3-ND1 3.45Å; W221-H225 WeakPolarHBondContact CZ3-ND1 3.08Å; W221-H225 WeakPolarHBondContact O-CB 3.23Å; W221-H225 PolarHBondContact O-N 2.99Å; W221-M434 VanDerWaalsContact CA-SD 3.59Å; W221-M434 HydrophobicContact CB-SD 4.22Å; W221-V435 PolarHBondContact NE1-O 3.36Å; W221-F437 AromaticContact CD1-CE2 3.72Å; W221-F437 AromaticContact CD2-CE2 3.91Å; W221-F437 HydrophobicContact CD2-CE2 3.91Å; W221-F437 AromaticContact CD2-CZ 3.81Å; W221-F437 HydrophobicContact CD2-CZ 3.81Å; W221-F437 AromaticContact CE2-CE2 3.62Å; W221-F437 AromaticContact CE2-CZ 3.46Å; W221-F437 VanDerWaalsContact CE2-CZ 3.46Å; W221-F437 HydrophobicContact CE3-CZ 4.27Å; W221-F437 AromaticContact CG-CE2 3.92Å; W221-F437 HydrophobicContact CG-CE2 3.92Å; W221-F437 HydrophobicContact CG-CZ 4.31Å; W221-F437 AromaticContact CH2-CZ 4Å; W221-F437 HydrophobicContact CH2-CZ 4Å; W221-F437 HydrophobicContact CZ2-CE1 4.15Å; W221-F437 HydrophobicContact CZ2-CE2 4.16Å; W221-F437 AromaticContact CZ2-CZ 3.56Å; W221-F437 HydrophobicContact CZ2-CZ 3.56Å; W221-F437 HydrophobicContact CZ3-CZ 4.35Å; W221-F437 AromaticContact NE1-CE2 3.53Å; W221-F437 AromaticContact NE1-CZ 3.86Å
222	H	98.9	Very high	98.5	Very high	5 Å²	5	6.9 Å²	6.9	2%	0.023	3%	0.031	C	C	.	.	H	α-helix	trans	-67.5	-33.3	179.5	-70.7	99.6	0	0	0	112.7	H191 S212 H213 F218 H225 L226 F394 H398	H191-H222 AromaticContact CD2-NE2 3.62Å; H191-H222 AromaticContact NE2-NE2 3.48Å; H191-H222 PolarHBondContact NE2-NE2 3.44Å; S212-H222 PolarHBondContact O-CE1 3.04Å; S212-H222 VanDerWaalsContact O-CE1 3.31Å; H213-H222 AromaticContact CD2-CE1 3.88Å; H213-H222 AromaticContact CE1-CE1 3.66Å; H213-H222 AromaticContact CE1-NE2 3.8Å; H213-H222 AromaticContact NE2-CE1 3.31Å; H213-H222 PolarHBondContact NE2-CE1 2.88Å; H213-H222 VanDerWaalsContact NE2-CE1 3.31Å; H213-H222 AromaticContact NE2-NE2 3.56Å; F218-H222 AromaticContact CD2-CE1 3.75Å; F218-H222 AromaticContact CD2-ND1 3.57Å; F218-H222 AromaticContact CE2-CE1 3.87Å; F218-H222 AromaticContact CE2-ND1 3.72Å; F218-H222 PolarHBondContact O-N 3.01Å; F218-H222 PolarHBondContact O-ND1 2.9Å; H222-H225 WeakPolarHBondContact O-CB 3.05Å; H222-H225 PolarHBondContact O-N 2.7Å; H222-L226 VanDerWaalsContact O-CG 3.29Å; H222-L226 WeakPolarHBondContact O-CG 3.39Å; H222-L226 PolarHBondContact O-N 3.22Å; H222-F394 AromaticContact CD2-CZ 3.92Å; H222-H398 AromaticContact CD2-CE1 3.3Å; H222-H398 PolarHBondContact CD2-CE1 3.21Å; H222-H398 AromaticContact CD2-ND1 3.2Å; H222-H398 PolarHBondContact CD2-ND1 3.21Å; H222-H398 AromaticContact CE1-CE1 3.89Å; H222-H398 AromaticContact CG-CE1 3.71Å; H222-H398 AromaticContact CG-ND1 3.33Å; H222-H398 VanDerWaalsContact CG-ND1 3.33Å; H222-H398 AromaticContact ND1-ND1 3.99Å; H222-H398 AromaticContact NE2-CE1 3.45Å; H222-H398 PolarHBondContact NE2-CE1 2.84Å; H222-H398 AromaticContact NE2-ND1 3.84Å
223	R	98.9	Very high	98.5	Very high	1 Å²	1	6.9 Å²	6.9	0%	0.004	3%	0.031	C	C	.	.	H	α-helix	trans	-58.2	-48.7	170.4	170.4	171.6	-71.6	-175.7	-6.9	112.3	V219 W221 L226 L227 D402 L446 L448 L453 Y455	V219-R223 WeakPolarHBondContact O-CB 3.46Å; V219-R223 PolarHBondContact O-N 3.09Å; W221-R223 VanDerWaalsContact C-N 3.33Å; W221-R223 PolarHBondContact O-N 3.29Å; R223-L226 PolarHBondContact O-N 2.82Å; R223-L227 HydrophobicContact CG-CD1 4.04Å; R223-L227 WeakPolarHBondContact O-CB 3.36Å; R223-L227 WeakPolarHBondContact O-CG 3.44Å; R223-L227 PolarHBondContact O-N 3.38Å; R223-D402 IonicContact CZ-OD1 2.78Å; R223-D402 IonicContact NE-OD1 2.81Å; R223-D402 PolarHBondContact NE-OD1 3.3Å; R223-D402 IonicContact NH2-OD1 3.77Å; R223-D402 PolarHBondContact NH2-OD1 3.32Å; R223-L446 WeakPolarHBondContact CD-O 3.31Å; R223-L446 HydrophobicContact CG-CD1 4.23Å; R223-L446 PolarHBondContact NH1-O 3.04Å; R223-L446 VanDerWaalsContact NH1-O 3.09Å; R223-L448 PolarHBondContact NH1-O 2.75Å; R223-L453 HydrophobicContact CG-CD1 4.3Å; R223-Y455 PolarHBondContact NE-OH 3.28Å
224	Y	98.8	Very high	98.5	Very high	22 Å²	22	7.4 Å²	7.4	9%	0.086	3%	0.033	C	C	.	.	H	α-helix	trans	-66.9	-38.5	177.8	-164.6	-104	0	0	0	112.2	F113 T220 W221 L226 L227 L228 M434 F437 V441 L446	F113-Y224 HydrophobicContact CE2-CD2 4.35Å; F113-Y224 AromaticContact CE2-CE2 3.78Å; F113-Y224 HydrophobicContact CE2-CE2 3.78Å; T220-Y224 PolarHBondContact O-N 3.16Å; W221-Y224 PolarHBondContact O-N 3.23Å; Y224-L226 PolarHBondContact O-N 3.25Å; Y224-L227 PolarHBondContact O-N 2.7Å; Y224-L228 HydrophobicContact CD1-CD1 3.83Å; Y224-L228 HydrophobicContact CD1-CG 3.94Å; Y224-L228 HydrophobicContact CE1-CD1 3.56Å; Y224-L228 HydrophobicContact CE1-CD2 3.87Å; Y224-L228 HydrophobicContact CE1-CG 3.65Å; Y224-L228 WeakPolarHBondContact O-CG 3.02Å; Y224-L228 PolarHBondContact O-N 3.27Å; Y224-M434 HydrophobicContact CG-CE 4.14Å; Y224-F437 HydrophobicContact CD1-CB 4.03Å; Y224-F437 AromaticContact CD1-CD1 3.66Å; Y224-F437 HydrophobicContact CD1-CD1 3.66Å; Y224-F437 AromaticContact CD1-CD2 3.5Å; Y224-F437 HydrophobicContact CD1-CD2 3.5Å; Y224-F437 VanDerWaalsContact CD1-CD2 3.5Å; Y224-F437 AromaticContact CD1-CE1 3.93Å; Y224-F437 HydrophobicContact CD1-CE1 3.93Å; Y224-F437 AromaticContact CD1-CE2 3.78Å; Y224-F437 HydrophobicContact CD1-CE2 3.78Å; Y224-F437 AromaticContact CD1-CG 3.45Å; Y224-F437 HydrophobicContact CD1-CG 3.45Å; Y224-F437 VanDerWaalsContact CD1-CG 3.45Å; Y224-F437 AromaticContact CD1-CZ 3.99Å; Y224-F437 HydrophobicContact CD1-CZ 3.99Å; Y224-F437 HydrophobicContact CE1-CB 3.75Å; Y224-F437 AromaticContact CE1-CD1 3.93Å; Y224-F437 HydrophobicContact CE1-CD1 3.93Å; Y224-F437 HydrophobicContact CE1-CD2 4.12Å; Y224-F437 AromaticContact CE1-CG 3.67Å; Y224-F437 HydrophobicContact CE1-CG 3.67Å; Y224-F437 HydrophobicContact CG-CD2 4.35Å; Y224-F437 HydrophobicContact CG-CE2 4.39Å; Y224-V441 HydrophobicContact CD1-CG1 4.06Å; Y224-V441 HydrophobicContact CD2-CG2 4.17Å; Y224-V441 HydrophobicContact CE1-CG1 3.74Å; Y224-V441 HydrophobicContact CE2-CB 4.44Å; Y224-V441 HydrophobicContact CE2-CG1 4.25Å; Y224-V441 HydrophobicContact CE2-CG2 3.91Å; Y224-V441 HydrophobicContact CG-CG1 4.44Å; Y224-L446 HydrophobicContact CD2-CD1 4.07Å; Y224-L446 HydrophobicContact CD2-CD2 3.79Å; Y224-L446 HydrophobicContact CD2-CG 4.06Å; Y224-L446 HydrophobicContact CE2-CD2 4.46Å; Y224-L446 HydrophobicContact CG-CD2 4.44Å
225	H	98.9	Very high	98.5	Very high	1 Å²	1	10 Å²	10	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-56.6	-46.4	175.5	-169.9	-139.3	0	0	0	112.2	F187 W221 H222 L229 F394 F437	F187-H225 AromaticContact CD2-CD2 3.51Å; F187-H225 AromaticContact CD2-CE1 3.53Å; F187-H225 AromaticContact CD2-CG 3.94Å; F187-H225 AromaticContact CD2-ND1 3.96Å; F187-H225 AromaticContact CD2-NE2 3.22Å; F187-H225 WeakPolarHBondContact CD2-NE2 3.3Å; F187-H225 AromaticContact CE1-CE1 3.74Å; F187-H225 AromaticContact CE2-CD2 3.61Å; F187-H225 AromaticContact CE2-CE1 3.17Å; F187-H225 WeakPolarHBondContact CE2-CE1 3.45Å; F187-H225 AromaticContact CE2-CG 3.54Å; F187-H225 AromaticContact CE2-ND1 3.27Å; F187-H225 VanDerWaalsContact CE2-ND1 3.27Å; F187-H225 WeakPolarHBondContact CE2-ND1 3.42Å; F187-H225 AromaticContact CE2-NE2 3.38Å; F187-H225 WeakPolarHBondContact CE2-NE2 3.28Å; F187-H225 AromaticContact CG-CE1 3.99Å; F187-H225 AromaticContact CG-NE2 3.65Å; F187-H225 AromaticContact CZ-CE1 3.28Å; F187-H225 WeakPolarHBondContact CZ-CE1 3.4Å; F187-H225 AromaticContact CZ-ND1 3.53Å; F187-H225 AromaticContact CZ-NE2 3.89Å; F187-H225 PolarHBondContact O-NE2 3.13Å; W221-H225 HydrophobicContact CE3-CB 4.02Å; W221-H225 HydrophobicContact CH2-CB 4.19Å; W221-H225 AromaticContact CH2-CD2 3.69Å; W221-H225 AromaticContact CH2-CG 3.75Å; W221-H225 AromaticContact CH2-ND1 3.98Å; W221-H225 AromaticContact CH2-NE2 3.88Å; W221-H225 HydrophobicContact CZ3-CB 3.63Å; W221-H225 AromaticContact CZ3-CD2 3.88Å; W221-H225 AromaticContact CZ3-CE1 3.89Å; W221-H225 AromaticContact CZ3-CG 3.42Å; W221-H225 VanDerWaalsContact CZ3-CG 3.42Å; W221-H225 AromaticContact CZ3-ND1 3.45Å; W221-H225 WeakPolarHBondContact CZ3-ND1 3.08Å; W221-H225 WeakPolarHBondContact O-CB 3.23Å; W221-H225 PolarHBondContact O-N 2.99Å; H222-H225 WeakPolarHBondContact O-CB 3.05Å; H222-H225 PolarHBondContact O-N 2.7Å; H225-L229 PolarHBondContact O-N 3.17Å; H225-F394 AromaticContact CE1-CE1 3.69Å; H225-F394 AromaticContact ND1-CE1 3.69Å; H225-F437 HydrophobicContact CB-CE1 4.44Å; H225-F437 HydrophobicContact CB-CZ 4.02Å
226	L	98.9	Very high	98.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.7	-43.4	174.1	-68.7	168.6	0	0	0	112.4	H222 R223 Y224 L228 L229 E230 L244 V395 H398 D402	H222-L226 VanDerWaalsContact O-CG 3.29Å; H222-L226 WeakPolarHBondContact O-CG 3.39Å; H222-L226 PolarHBondContact O-N 3.22Å; R223-L226 PolarHBondContact O-N 2.82Å; Y224-L226 PolarHBondContact O-N 3.25Å; L226-L228 PolarHBondContact O-N 3.44Å; L226-L229 PolarHBondContact O-N 3.01Å; L226-E230 WeakPolarHBondContact O-CB 3.25Å; L226-E230 PolarHBondContact O-N 3.29Å; L226-L244 HydrophobicContact CB-CD1 4.08Å; L226-L244 HydrophobicContact CD2-CD1 3.91Å; L226-L244 WeakPolarHBondContact O-CD1 3.43Å; L226-V395 HydrophobicContact CD2-CG1 4.21Å; L226-V395 WeakPolarHBondContact CD2-O 3.43Å; L226-H398 HydrophobicContact CD1-CB 4.1Å; L226-H398 HydrophobicContact CD2-CB 4.34Å; L226-H398 HydrophobicContact CG-CB 4.47Å; L226-D402 HydrophobicContact CD1-CB 4.16Å
227	L	98.6	Very high	98.5	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.016	6%	0.062	C	C	.	.	H	α-helix	trans	-63.1	-38.6	179.7	-80.7	168	0	0	0	113	F113 R223 Y224 R231 L446 L453 Y455	F113-L227 HydrophobicContact CD1-CB 4.21Å; F113-L227 HydrophobicContact CD1-CD2 3.85Å; F113-L227 HydrophobicContact CD2-CD1 4.43Å; F113-L227 HydrophobicContact CE1-CB 3.78Å; F113-L227 HydrophobicContact CE1-CD2 4.21Å; F113-L227 VanDerWaalsContact CE1-O 3.31Å; F113-L227 WeakPolarHBondContact CE1-O 3.07Å; F113-L227 HydrophobicContact CE2-CB 4.19Å; F113-L227 HydrophobicContact CG-CD1 4.47Å; F113-L227 HydrophobicContact CG-CD2 4.21Å; F113-L227 HydrophobicContact CZ-CB 3.77Å; R223-L227 HydrophobicContact CG-CD1 4.04Å; R223-L227 WeakPolarHBondContact O-CB 3.36Å; R223-L227 WeakPolarHBondContact O-CG 3.44Å; R223-L227 PolarHBondContact O-N 3.38Å; Y224-L227 PolarHBondContact O-N 2.7Å; L227-R231 WeakPolarHBondContact O-CB 3.37Å; L227-R231 PolarHBondContact O-N 3.04Å; L227-R231 VanDerWaalsContact O-N 3.09Å; L227-L446 HydrophobicContact CD1-CD1 4.02Å; L227-L453 HydrophobicContact CD1-CB 4.49Å; L227-L453 HydrophobicContact CD1-CD1 4.12Å; L227-Y455 HydrophobicContact CD1-CE1 4.16Å; L227-Y455 HydrophobicContact CD2-CD1 3.86Å; L227-Y455 HydrophobicContact CD2-CE1 3.65Å; L227-Y455 HydrophobicContact CG-CE1 4.16Å
228	L	98.2	Very high	98.4	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.026	10%	0.096	C	C	.	.	H	α-helix	trans	-60.9	-53.2	171.8	-73.9	-179.2	0	0	0	111.1	F113 L190 Y224 L226 E230 R231 D232 F437	F113-L228 HydrophobicContact CZ-CD2 4.48Å; L190-L228 HydrophobicContact CD1-CD1 4.19Å; Y224-L228 HydrophobicContact CD1-CD1 3.83Å; Y224-L228 HydrophobicContact CD1-CG 3.94Å; Y224-L228 HydrophobicContact CE1-CD1 3.56Å; Y224-L228 HydrophobicContact CE1-CD2 3.87Å; Y224-L228 HydrophobicContact CE1-CG 3.65Å; Y224-L228 WeakPolarHBondContact O-CG 3.02Å; Y224-L228 PolarHBondContact O-N 3.27Å; L226-L228 PolarHBondContact O-N 3.44Å; L228-E230 VanDerWaalsContact C-N 3.34Å; L228-E230 PolarHBondContact O-N 3.12Å; L228-R231 PolarHBondContact O-N 3.14Å; L228-D232 PolarHBondContact O-N 2.83Å; L228-F437 HydrophobicContact CD1-CD1 3.59Å; L228-F437 HydrophobicContact CD1-CE1 3.88Å
229	L	98.8	Very high	98.3	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-58.5	-45.2	179.5	179.6	63.5	0	0	0	111.7	F187 H225 L226 R231 D232 L233 V395	F187-L229 HydrophobicContact CB-CD1 4.31Å; F187-L229 HydrophobicContact CD1-CD2 4.3Å; F187-L229 HydrophobicContact CD2-CB 3.68Å; F187-L229 HydrophobicContact CD2-CD1 4.42Å; F187-L229 HydrophobicContact CD2-CD2 3.79Å; F187-L229 HydrophobicContact CD2-CG 4.16Å; F187-L229 HydrophobicContact CE1-CD2 4.25Å; F187-L229 HydrophobicContact CE2-CB 3.97Å; F187-L229 HydrophobicContact CE2-CD2 3.71Å; F187-L229 HydrophobicContact CE2-CG 4.42Å; F187-L229 HydrophobicContact CG-CB 4.46Å; F187-L229 HydrophobicContact CG-CD1 4.39Å; F187-L229 HydrophobicContact CG-CD2 4.08Å; F187-L229 HydrophobicContact CZ-CD2 3.96Å; H225-L229 PolarHBondContact O-N 3.17Å; L226-L229 PolarHBondContact O-N 3.01Å; L229-R231 VanDerWaalsContact C-N 3.32Å; L229-R231 PolarHBondContact O-N 2.94Å; L229-D232 PolarHBondContact O-N 2.87Å; L229-L233 HydrophobicContact CD1-CD1 3.97Å; L229-L233 HydrophobicContact CD1-CG 4.03Å; L229-L233 HydrophobicContact CD2-CD1 4.43Å; L229-L233 HydrophobicContact CG-CD1 3.81Å; L229-L233 HydrophobicContact CG-CG 4.27Å; L229-L233 WeakPolarHBondContact O-CB 3.24Å; L229-L233 WeakPolarHBondContact O-CG 3.3Å; L229-L233 PolarHBondContact O-N 3.32Å; L229-V395 HydrophobicContact CD2-CG1 3.96Å; L229-V395 HydrophobicContact CD2-CG2 3.7Å
230	E	98.8	Very high	98	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.019	13%	0.134	C	C	.	.	H	α-helix	trans	-59.1	-42.5	178.5	-168.7	167.9	-113.5	0	0	111.7	R129 L226 L228 L233 Q234 A243 L244	R129-E230 IonicContact CZ-OE1 3.84Å; R129-E230 IonicContact CZ-OE2 3.42Å; R129-E230 IonicContact NE-OE1 2.78Å; R129-E230 PolarHBondContact NE-OE1 2.94Å; R129-E230 IonicContact NE-OE2 3.43Å; R129-E230 VanDerWaalsContact NH2-CD 3.35Å; R129-E230 IonicContact NH2-OE1 3.22Å; R129-E230 PolarHBondContact NH2-OE1 2.84Å; R129-E230 IonicContact NH2-OE2 3.79Å; R129-E230 PolarHBondContact NH2-OE2 3.21Å; L226-E230 WeakPolarHBondContact O-CB 3.25Å; L226-E230 PolarHBondContact O-N 3.29Å; L228-E230 VanDerWaalsContact C-N 3.34Å; L228-E230 PolarHBondContact O-N 3.12Å; E230-L233 PolarHBondContact O-N 3.34Å; E230-Q234 WeakPolarHBondContact O-CB 3.37Å; E230-Q234 VanDerWaalsContact O-CG 3.22Å; E230-Q234 WeakPolarHBondContact O-CG 3.31Å; E230-Q234 PolarHBondContact O-N 2.94Å; E230-A243 WeakPolarHBondContact OE1-CA 3.29Å; E230-L244 HydrophobicContact CB-CD1 3.87Å; E230-L244 HydrophobicContact CB-CG 3.88Å; E230-L244 HydrophobicContact CG-CD1 4.48Å; E230-L244 HydrophobicContact CG-CG 4.01Å; E230-L244 PolarHBondContact OE1-N 3.45Å
231	R	97.7	Very high	97.8	Very high	29 Å²	29	29.1 Å²	29.1	11%	0.109	17%	0.165	C	C	.	.	H	α-helix	trans	-67.6	-40.9	176.3	-178.6	172.4	66.4	150.9	4.8	112.8	D110 F113 L227 L228 L229 L233 Q234 R235	D110-R231 IonicContact OD2-CZ 3.23Å; D110-R231 IonicContact OD2-NH1 3.36Å; D110-R231 PolarHBondContact OD2-NH1 3.32Å; F113-R231 HydrophobicContact CE1-CB 4.06Å; L227-R231 WeakPolarHBondContact O-CB 3.37Å; L227-R231 PolarHBondContact O-N 3.04Å; L227-R231 VanDerWaalsContact O-N 3.09Å; L228-R231 PolarHBondContact O-N 3.14Å; L229-R231 VanDerWaalsContact C-N 3.32Å; L229-R231 PolarHBondContact O-N 2.94Å; R231-L233 VanDerWaalsContact C-N 3.32Å; R231-Q234 WeakPolarHBondContact O-CB 3.48Å; R231-Q234 PolarHBondContact O-N 2.84Å; R231-R235 WeakPolarHBondContact O-CG 3.33Å; R231-R235 PolarHBondContact O-N 2.99Å
232	D	98.5	Very high	97.8	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-71.8	-30.6	179.1	-63.6	-34.5	0	0	0	111.5	H155 I183 L228 L229 R235 L236	H155-D232 IonicContact NE2-OD2 3.8Å; H155-D232 PolarHBondContact NE2-OD2 3.11Å; I183-D232 HydrophobicContact CG2-CB 3.75Å; L228-D232 PolarHBondContact O-N 2.83Å; L229-D232 PolarHBondContact O-N 2.87Å; D232-R235 IonicContact OD1-NH1 3.08Å; D232-R235 PolarHBondContact OD1-NH1 3.42Å; D232-R235 VanDerWaalsContact OD1-NH1 3.14Å; D232-L236 VanDerWaalsContact O-CB 3.23Å; D232-L236 WeakPolarHBondContact O-CB 3.41Å; D232-L236 PolarHBondContact O-N 3.19Å
233	L	98.7	Very high	97.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-70.6	-40.6	169.1	-66.3	174.4	0	0	0	112.6	A146 L147 A150 L229 E230 R231 R235 L236 T237 F242 L244	A146-L233 HydrophobicContact CB-CD2 4.1Å; A146-L233 WeakPolarHBondContact O-CD2 3.31Å; L147-L233 HydrophobicContact CD2-CD1 4.01Å; A150-L233 HydrophobicContact CB-CD2 3.52Å; L229-L233 HydrophobicContact CD1-CD1 3.97Å; L229-L233 HydrophobicContact CD1-CG 4.03Å; L229-L233 HydrophobicContact CD2-CD1 4.43Å; L229-L233 HydrophobicContact CG-CD1 3.81Å; L229-L233 HydrophobicContact CG-CG 4.27Å; L229-L233 WeakPolarHBondContact O-CB 3.24Å; L229-L233 WeakPolarHBondContact O-CG 3.3Å; L229-L233 PolarHBondContact O-N 3.32Å; E230-L233 PolarHBondContact O-N 3.34Å; R231-L233 VanDerWaalsContact C-N 3.32Å; L233-R235 VanDerWaalsContact C-N 3.3Å; L233-R235 PolarHBondContact O-N 3.4Å; L233-L236 HydrophobicContact CD2-CD2 4.27Å; L233-L236 PolarHBondContact O-N 3.04Å; L233-T237 WeakPolarHBondContact O-CB 3.08Å; L233-T237 VanDerWaalsContact O-CG2 3.27Å; L233-T237 WeakPolarHBondContact O-CG2 3.44Å; L233-T237 PolarHBondContact O-N 3.04Å; L233-T237 PolarHBondContact O-OG1 3.41Å; L233-F242 HydrophobicContact CB-CD1 3.89Å; L233-F242 HydrophobicContact CB-CE1 3.49Å; L233-F242 VanDerWaalsContact CB-CE1 3.49Å; L233-F242 HydrophobicContact CB-CZ 3.95Å; L233-F242 HydrophobicContact CD1-CE1 3.59Å; L233-F242 HydrophobicContact CD1-CZ 3.78Å; L233-F242 HydrophobicContact CG-CE1 4.17Å; L233-F242 HydrophobicContact CG-CZ 4.42Å; L233-L244 HydrophobicContact CD1-CD2 3.85Å
234	Q	97.8	Very high	97.7	Very high	25 Å²	25	30.5 Å²	30.5	12%	0.117	18%	0.175	C	C	.	.	H	α-helix	trans	-56.3	-44.5	171.2	-76.3	167.7	11.8	0	0	110.9	E230 R231 T237 G238 N239 F242	E230-Q234 WeakPolarHBondContact O-CB 3.37Å; E230-Q234 VanDerWaalsContact O-CG 3.22Å; E230-Q234 WeakPolarHBondContact O-CG 3.31Å; E230-Q234 PolarHBondContact O-N 2.94Å; R231-Q234 WeakPolarHBondContact O-CB 3.48Å; R231-Q234 PolarHBondContact O-N 2.84Å; Q234-T237 PolarHBondContact O-OG1 2.81Å; Q234-G238 WeakPolarHBondContact O-CA 3.45Å; Q234-G238 PolarHBondContact O-N 2.62Å; Q234-N239 WeakPolarHBondContact CG-O 3.49Å; Q234-N239 PolarHBondContact O-N 2.87Å; Q234-N239 VanDerWaalsContact O-N 3.16Å; Q234-F242 HydrophobicContact CG-CB 3.83Å; Q234-F242 HydrophobicContact CG-CD1 4.44Å; Q234-F242 PolarHBondContact NE2-O 2.84Å
235	R	97.1	Very high	97.7	Very high	97 Å²	97	29.5 Å²	29.5	37%	0.366	17%	0.171	S	C	.	.	H	α-helix	trans	-65.3	-47.8	175.4	-71.7	165.5	169.5	174.9	-10.4	112.7	D110 R231 D232 L233 T237 G238	D110-R235 IonicContact OD1-CZ 3.59Å; D110-R235 IonicContact OD1-NH2 3.45Å; D110-R235 PolarHBondContact OD1-NH2 3.33Å; D110-R235 IonicContact OD2-CZ 3.02Å; D110-R235 IonicContact OD2-NH2 2.86Å; D110-R235 PolarHBondContact OD2-NH2 2.9Å; R231-R235 WeakPolarHBondContact O-CG 3.33Å; R231-R235 PolarHBondContact O-N 2.99Å; D232-R235 IonicContact OD1-NH1 3.08Å; D232-R235 PolarHBondContact OD1-NH1 3.42Å; D232-R235 VanDerWaalsContact OD1-NH1 3.14Å; L233-R235 VanDerWaalsContact C-N 3.3Å; L233-R235 PolarHBondContact O-N 3.4Å; R235-T237 VanDerWaalsContact C-N 3.28Å; R235-T237 PolarHBondContact O-N 3.15Å; R235-G238 PolarHBondContact O-N 3.42Å
236	L	98.2	Very high	97.7	Very high	36 Å²	36	30 Å²	30	19%	0.188	17%	0.173	C	C	.	.	H	α-helix	trans	-63.4	-31.6	-179.8	178.9	65.1	0	0	0	113.3	R149 A150 T153 I183 D232 L233	R149-L236 HydrophobicContact CB-CD2 3.97Å; R149-L236 PolarHBondContact NH1-O 3.32Å; A150-L236 HydrophobicContact CB-CD2 3.76Å; T153-L236 HydrophobicContact CG2-CD1 3.85Å; I183-L236 HydrophobicContact CD1-CB 4.3Å; I183-L236 HydrophobicContact CD1-CD1 4.18Å; I183-L236 HydrophobicContact CD1-CD2 4.13Å; I183-L236 HydrophobicContact CD1-CG 4.44Å; D232-L236 VanDerWaalsContact O-CB 3.23Å; D232-L236 WeakPolarHBondContact O-CB 3.41Å; D232-L236 PolarHBondContact O-N 3.19Å; L233-L236 HydrophobicContact CD2-CD2 4.27Å; L233-L236 PolarHBondContact O-N 3.04Å
237	T	97.7	Very high	97.7	Very high	41 Å²	41	30 Å²	30	25%	0.252	17%	0.173	S	C	.	.	H	α-helix	trans	-91	-18.6	179.1	56.6	0	0	0	0	113.1	A146 L233 Q234 R235 N239 F242	A146-T237 HydrophobicContact CB-CG2 3.6Å; L233-T237 WeakPolarHBondContact O-CB 3.08Å; L233-T237 VanDerWaalsContact O-CG2 3.27Å; L233-T237 WeakPolarHBondContact O-CG2 3.44Å; L233-T237 PolarHBondContact O-N 3.04Å; L233-T237 PolarHBondContact O-OG1 3.41Å; Q234-T237 PolarHBondContact O-OG1 2.81Å; R235-T237 VanDerWaalsContact C-N 3.28Å; R235-T237 PolarHBondContact O-N 3.15Å; T237-N239 PolarHBondContact O-N 2.96Å; T237-N239 PolarHBondContact OG1-N 2.82Å; T237-F242 HydrophobicContact CG2-CD2 4.38Å
238	G	96.9	Very high	97.7	Very high	69 Å²	69	31.8 Å²	31.8	71%	0.711	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	12.9	-167.3	0	0	0	0	0	113.3	Q234 R235	Q234-G238 WeakPolarHBondContact O-CA 3.45Å; Q234-G238 PolarHBondContact O-N 2.62Å; R235-G238 PolarHBondContact O-N 3.42Å
239	N	96.3	Very high	97.6	Very high	56 Å²	56	31.5 Å²	31.5	30%	0.299	18%	0.182	S	C	.	.			trans	-109.2	96.3	-177.4	179	6.1	0	0	0	109.9	Q234 T237 S241 F242	Q234-N239 WeakPolarHBondContact CG-O 3.49Å; Q234-N239 PolarHBondContact O-N 2.87Å; Q234-N239 VanDerWaalsContact O-N 3.16Å; T237-N239 PolarHBondContact O-N 2.96Å; T237-N239 PolarHBondContact OG1-N 2.82Å; N239-S241 PolarHBondContact O-N 3.22Å; N239-S241 VanDerWaalsContact O-N 3.15Å; N239-S241 WeakPolarHBondContact OD1-CA 3.38Å; N239-S241 WeakPolarHBondContact OD1-CB 3.43Å; N239-S241 PolarHBondContact OD1-N 3.47Å; N239-F242 HydrophobicContact CB-CB 4.29Å; N239-F242 VanDerWaalsContact O-CB 3.23Å; N239-F242 WeakPolarHBondContact O-CB 3.44Å; N239-F242 PolarHBondContact O-N 3.44Å; N239-F242 VanDerWaalsContact O-N 3.07Å; N239-F242 PolarHBondContact OD1-N 3.04Å
240	E	93.5	Very high	97.5	Very high	115 Å²	115	31.6 Å²	31.6	54%	0.537	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.1	177.2	-70.2	-164.3	-170.1	0	0	114.3	K124 F242	K124-E240 VanDerWaalsContact CE-O 3.25Å; K124-E240 WeakPolarHBondContact CE-O 3.38Å; K124-E240 PolarHBondContact NZ-O 2.99Å; E240-F242 VanDerWaalsContact C-N 3.34Å
241	S	94.7	Very high	97.4	Very high	93 Å²	93	33.7 Å²	33.7	65%	0.65	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	1.3	177.4	-57.4	0	0	0	0	113.4	N239 A243	N239-S241 PolarHBondContact O-N 3.22Å; N239-S241 VanDerWaalsContact O-N 3.15Å; N239-S241 WeakPolarHBondContact OD1-CA 3.38Å; N239-S241 WeakPolarHBondContact OD1-CB 3.43Å; N239-S241 PolarHBondContact OD1-N 3.47Å; S241-A243 PolarHBondContact O-N 2.77Å
242	F	97.5	Very high	97.2	Very high	11 Å²	11	33.1 Å²	33.1	5%	0.048	20%	0.199	C	C	.	.			trans	-61	130.2	175.8	179.1	-82.2	0	0	0	110.7	F143 A146 L233 Q234 T237 N239 E240 L244	F143-F242 AromaticContact CD2-CZ 3.91Å; F143-F242 HydrophobicContact CD2-CZ 3.91Å; A146-F242 HydrophobicContact CB-CD2 4.5Å; A146-F242 HydrophobicContact CB-CE2 3.57Å; A146-F242 HydrophobicContact CB-CZ 3.85Å; L233-F242 HydrophobicContact CB-CD1 3.89Å; L233-F242 HydrophobicContact CB-CE1 3.49Å; L233-F242 VanDerWaalsContact CB-CE1 3.49Å; L233-F242 HydrophobicContact CB-CZ 3.95Å; L233-F242 HydrophobicContact CD1-CE1 3.59Å; L233-F242 HydrophobicContact CD1-CZ 3.78Å; L233-F242 HydrophobicContact CG-CE1 4.17Å; L233-F242 HydrophobicContact CG-CZ 4.42Å; Q234-F242 HydrophobicContact CG-CB 3.83Å; Q234-F242 HydrophobicContact CG-CD1 4.44Å; Q234-F242 PolarHBondContact NE2-O 2.84Å; T237-F242 HydrophobicContact CG2-CD2 4.38Å; N239-F242 HydrophobicContact CB-CB 4.29Å; N239-F242 VanDerWaalsContact O-CB 3.23Å; N239-F242 WeakPolarHBondContact O-CB 3.44Å; N239-F242 PolarHBondContact O-N 3.44Å; N239-F242 VanDerWaalsContact O-N 3.07Å; N239-F242 PolarHBondContact OD1-N 3.04Å; E240-F242 VanDerWaalsContact C-N 3.34Å; F242-L244 HydrophobicContact CE1-CD2 4.04Å
243	A	97.9	Very high	96.9	Very high	23 Å²	23	36.4 Å²	36.4	19%	0.19	21%	0.213	C	C	.	.			trans	-127.3	140.2	-179.4	0	0	0	0	0	110	V127 V128 R129 E230 S241	V127-A243 HydrophobicContact CB-CB 3.98Å; V127-A243 HydrophobicContact CG2-CB 4.21Å; V128-A243 WeakPolarHBondContact O-CB 3.47Å; R129-A243 HydrophobicContact CG-CB 4.32Å; E230-A243 WeakPolarHBondContact OE1-CA 3.29Å; S241-A243 PolarHBondContact O-N 2.77Å
244	L	98.8	Very high	96.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.243	C	C	.	.			trans	-70.2	123.8	170.9	-66.8	178.5	0	0	0	109.8	R129 F143 L226 E230 L233 F242 V395	R129-L244 WeakPolarHBondContact CB-O 3.46Å; R129-L244 WeakPolarHBondContact CD-O 3.22Å; R129-L244 WeakPolarHBondContact CG-O 3.17Å; F143-L244 HydrophobicContact CE2-CD2 4.02Å; L226-L244 HydrophobicContact CB-CD1 4.08Å; L226-L244 HydrophobicContact CD2-CD1 3.91Å; L226-L244 WeakPolarHBondContact O-CD1 3.43Å; E230-L244 HydrophobicContact CB-CD1 3.87Å; E230-L244 HydrophobicContact CB-CG 3.88Å; E230-L244 HydrophobicContact CG-CD1 4.48Å; E230-L244 HydrophobicContact CG-CG 4.01Å; E230-L244 PolarHBondContact OE1-N 3.45Å; L233-L244 HydrophobicContact CD1-CD2 3.85Å; F242-L244 HydrophobicContact CE1-CD2 4.04Å; L244-V395 HydrophobicContact CD1-CG1 4Å; L244-V395 HydrophobicContact CD2-CG1 3.73Å; L244-V395 HydrophobicContact CG-CG1 4.33Å
245	P	98.8	Very high	96.1	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.013	27%	0.266	C	S	.	.			trans	-69.6	172.3	170.9	30.2	-32.3	0	0	0	111	K130 I132 L135 F143 V396 S399	K130-P245 CarbonylContact O-C 3.54Å; K130-P245 WeakPolarHBondContact O-CA 3.31Å; K130-P245 VanDerWaalsContact O-CB 3.31Å; K130-P245 WeakPolarHBondContact O-CB 3.17Å; I132-P245 HydrophobicContact CB-CB 4.11Å; I132-P245 HydrophobicContact CD1-CG 4.14Å; I132-P245 HydrophobicContact CG1-CB 4.45Å; I132-P245 HydrophobicContact CG1-CG 4.42Å; L135-P245 HydrophobicContact CD1-CB 3.96Å; L135-P245 HydrophobicContact CD1-CG 4.1Å; L135-P245 HydrophobicContact CG-CB 4.5Å; F143-P245 HydrophobicContact CD1-CG 3.76Å; F143-P245 VanDerWaalsContact CD2-CD 3.45Å; F143-P245 HydrophobicContact CD2-CG 3.91Å; F143-P245 HydrophobicContact CE1-CG 3.65Å; F143-P245 HydrophobicContact CE2-CG 3.84Å; F143-P245 HydrophobicContact CG-CG 3.88Å; F143-P245 HydrophobicContact CZ-CG 3.69Å; P245-V396 HydrophobicContact CG-CG1 3.93Å; P245-S399 VanDerWaalsContact O-CB 3.22Å; P245-S399 WeakPolarHBondContact O-CB 3.05Å; P245-S399 PolarHBondContact O-OG 3.03Å
246	Y	98.9	Very high	95.9	Very high	10 Å²	10	43 Å²	43	4%	0.039	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-125.5	153	173.4	69.6	-95.6	0	0	0	111.4	K130 N131 I132 N248 V396 F400 Y457 A458 I459	K130-Y246 VanDerWaalsContact O-CD1 3.29Å; K130-Y246 WeakPolarHBondContact O-CD1 3.49Å; K130-Y246 PolarHBondContact O-N 2.96Å; N131-Y246 CarbonylContact C-O 3.36Å; N131-Y246 WeakPolarHBondContact CA-O 3.22Å; N131-Y246 HydrophobicContact CB-CD2 4.47Å; N131-Y246 HydrophobicContact CB-CE1 4.24Å; N131-Y246 HydrophobicContact CB-CE2 3.76Å; I132-Y246 PolarHBondContact N-O 3.08Å; Y246-N248 HydrophobicContact CE2-CB 4.29Å; Y246-V396 WeakPolarHBondContact CA-O 3.45Å; Y246-F400 HydrophobicContact CD2-CB 4.2Å; Y246-F400 AromaticContact CD2-CD2 3.69Å; Y246-F400 HydrophobicContact CD2-CD2 3.69Å; Y246-F400 HydrophobicContact CD2-CG 4.24Å; Y246-F400 HydrophobicContact CE2-CD2 4.1Å; Y246-Y457 AromaticContact CD1-CD1 3.69Å; Y246-Y457 HydrophobicContact CD1-CD1 3.69Å; Y246-Y457 HydrophobicContact CD1-CE1 4.03Å; Y246-Y457 HydrophobicContact CE1-CD1 4.07Å; Y246-Y457 HydrophobicContact CG-CD1 4.45Å; Y246-Y457 HydrophobicContact CG-CE1 4.49Å; Y246-A458 PolarHBondContact OH-O 2.94Å; Y246-A458 VanDerWaalsContact OH-O 3.09Å; Y246-I459 HydrophobicContact CD2-CD1 4.47Å; Y246-I459 HydrophobicContact CE1-CB 4.34Å; Y246-I459 HydrophobicContact CE2-CD1 3.64Å; Y246-I459 HydrophobicContact CE2-CG1 4.31Å; Y246-I459 WeakPolarHBondContact OH-CB 3.39Å; Y246-I459 VanDerWaalsContact OH-CG1 3.3Å; Y246-I459 WeakPolarHBondContact OH-CG1 2.91Å
247	W	98.6	Very high	95.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.251	C	S	.	.			trans	-106.6	110.2	171.5	169.4	40.7	0	0	0	108.3	I132 F249 D257 V258 L321 L378 I393 V396 L397 F400	I132-W247 HydrophobicContact CG2-CB 4.38Å; W247-F249 VanDerWaalsContact C-N 3.28Å; W247-F249 HydrophobicContact CD2-CB 3.98Å; W247-F249 HydrophobicContact CE3-CB 4.09Å; W247-F249 HydrophobicContact CH2-CB 4.07Å; W247-F249 HydrophobicContact CZ2-CB 3.96Å; W247-F249 HydrophobicContact CZ3-CB 4.14Å; W247-F249 PolarHBondContact O-N 2.88Å; W247-D257 PolarHBondContact NE1-OD1 2.79Å; W247-V258 HydrophobicContact CB-CG1 4.23Å; W247-V258 HydrophobicContact CD2-CG1 4.11Å; W247-V258 HydrophobicContact CD2-CG2 3.69Å; W247-V258 HydrophobicContact CE3-CG2 4.05Å; W247-V258 HydrophobicContact CG-CB 4.5Å; W247-V258 HydrophobicContact CG-CG1 3.63Å; W247-V258 HydrophobicContact CG-CG2 4.1Å; W247-V258 HydrophobicContact CH2-CG2 4.29Å; W247-V258 HydrophobicContact CZ2-CG2 3.94Å; W247-V258 HydrophobicContact CZ3-CG2 4.33Å; W247-L321 HydrophobicContact CH2-CD1 4.49Å; W247-L321 HydrophobicContact CH2-CD2 4.25Å; W247-L321 HydrophobicContact CZ2-CD1 3.93Å; W247-L321 HydrophobicContact CZ2-CD2 4.43Å; W247-L378 HydrophobicContact CH2-CD2 4.27Å; W247-L378 HydrophobicContact CZ3-CD2 4.39Å; W247-I393 HydrophobicContact CE3-CG2 3.62Å; W247-I393 HydrophobicContact CZ3-CG2 3.62Å; W247-V396 HydrophobicContact CB-CB 3.96Å; W247-V396 HydrophobicContact CB-CG2 3.63Å; W247-V396 PolarHBondContact N-O 3.42Å; W247-L397 HydrophobicContact CE3-CB 4.37Å; W247-L397 HydrophobicContact CZ3-CD1 4.3Å; W247-F400 WeakPolarHBondContact O-CB 3.32Å; W247-F400 VanDerWaalsContact O-CD1 3.3Å; W247-F400 WeakPolarHBondContact O-CD1 3.48Å; W247-F400 VanDerWaalsContact O-CG 3.29Å; W247-F400 WeakPolarHBondContact O-CG 3.35Å
248	N	98	Very high	95.7	Very high	41 Å²	41	40.5 Å²	40.5	22%	0.219	24%	0.239	C	C	.	.			trans	-67.9	91.8	167.9	179.5	3.7	0	0	0	108.8	Y246 A250 T251 F400	Y246-N248 HydrophobicContact CE2-CB 4.29Å; N248-A250 PolarHBondContact O-N 3.28Å; N248-A250 WeakPolarHBondContact OD1-CA 3.26Å; N248-A250 VanDerWaalsContact OD1-CB 3.27Å; N248-A250 WeakPolarHBondContact OD1-CB 3.11Å; N248-A250 PolarHBondContact OD1-N 3.09Å; N248-T251 WeakPolarHBondContact O-CG2 3.37Å; N248-F400 HydrophobicContact CB-CE1 4.45Å; N248-F400 HydrophobicContact CB-CE2 4.22Å; N248-F400 HydrophobicContact CB-CZ 4.17Å; N248-F400 WeakPolarHBondContact OD1-CE1 3.37Å; N248-F400 WeakPolarHBondContact OD1-CZ 3.28Å
249	F	97.1	Very high	95.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.			trans	-74.1	-7.2	175.1	56.7	-117	0	0	0	113.1	W247 T251 P322 L370 A374 L397 F400 I404	W247-F249 VanDerWaalsContact C-N 3.28Å; W247-F249 HydrophobicContact CD2-CB 3.98Å; W247-F249 HydrophobicContact CE3-CB 4.09Å; W247-F249 HydrophobicContact CH2-CB 4.07Å; W247-F249 HydrophobicContact CZ2-CB 3.96Å; W247-F249 HydrophobicContact CZ3-CB 4.14Å; W247-F249 PolarHBondContact O-N 2.88Å; F249-T251 PolarHBondContact O-N 2.93Å; F249-P322 HydrophobicContact CD2-CB 4.25Å; F249-P322 HydrophobicContact CD2-CG 3.8Å; F249-P322 HydrophobicContact CE2-CB 4.47Å; F249-P322 HydrophobicContact CE2-CG 4.06Å; F249-L370 HydrophobicContact CE2-CD2 4.45Å; F249-A374 HydrophobicContact CB-CB 4.1Å; F249-A374 HydrophobicContact CD1-CB 3.78Å; F249-A374 HydrophobicContact CD2-CB 4.1Å; F249-A374 HydrophobicContact CE1-CB 4.17Å; F249-A374 HydrophobicContact CE2-CB 4.49Å; F249-A374 HydrophobicContact CG-CB 3.74Å; F249-L397 HydrophobicContact CD1-CG 3.94Å; F249-L397 HydrophobicContact CE1-CD2 4.09Å; F249-L397 HydrophobicContact CE1-CG 3.98Å; F249-F400 AromaticContact CD1-CD1 3.64Å; F249-F400 HydrophobicContact CD1-CD1 3.64Å; F249-F400 HydrophobicContact CD1-CE1 4.36Å; F249-F400 HydrophobicContact CD2-CD1 4.14Å; F249-F400 HydrophobicContact CD2-CE1 4.04Å; F249-F400 HydrophobicContact CE1-CB 4.46Å; F249-F400 AromaticContact CE1-CD1 3.57Å; F249-F400 HydrophobicContact CE1-CD1 3.57Å; F249-F400 HydrophobicContact CE1-CE1 4.33Å; F249-F400 HydrophobicContact CE1-CG 4.49Å; F249-F400 HydrophobicContact CE2-CD1 4.05Å; F249-F400 AromaticContact CE2-CE1 3.98Å; F249-F400 HydrophobicContact CE2-CE1 3.98Å; F249-F400 AromaticContact CG-CD1 3.94Å; F249-F400 HydrophobicContact CG-CD1 3.94Å; F249-F400 HydrophobicContact CG-CE1 4.22Å; F249-F400 AromaticContact CZ-CD1 3.77Å; F249-F400 HydrophobicContact CZ-CD1 3.77Å; F249-F400 HydrophobicContact CZ-CE1 4.13Å; F249-I404 HydrophobicContact CZ-CD1 4.49Å
250	A	96.7	Very high	95.7	Very high	5 Å²	5	37.9 Å²	37.9	4%	0.041	21%	0.212	C	C	.	.			trans	-81.2	46.9	-176.1	0	0	0	0	0	113.1	N248 P322 T323 L324 I327 F400	N248-A250 PolarHBondContact O-N 3.28Å; N248-A250 WeakPolarHBondContact OD1-CA 3.26Å; N248-A250 VanDerWaalsContact OD1-CB 3.27Å; N248-A250 WeakPolarHBondContact OD1-CB 3.11Å; N248-A250 PolarHBondContact OD1-N 3.09Å; A250-P322 CarbonylContact C-O 3.54Å; A250-P322 WeakPolarHBondContact CA-O 3.42Å; A250-T323 CarbonylContact O-C 3.33Å; A250-L324 PolarHBondContact O-N 3.48Å; A250-I327 HydrophobicContact CB-CD1 3.87Å; A250-I327 HydrophobicContact CB-CG1 3.39Å; A250-F400 HydrophobicContact CB-CE1 4.06Å; A250-F400 HydrophobicContact CB-CZ 4.24Å
251	T	95.4	Very high	95.8	Very high	47 Å²	47	35.2 Å²	35.2	29%	0.288	20%	0.201	S	C	.	.	S	Bend	trans	-92.7	-15.7	-170.5	62.9	0	0	0	0	114.8	N248 F249 K253 P322	N248-T251 WeakPolarHBondContact O-CG2 3.37Å; F249-T251 PolarHBondContact O-N 2.93Å; T251-K253 PolarHBondContact O-N 3.43Å; T251-K253 WeakPolarHBondContact OG1-CB 3.3Å; T251-K253 WeakPolarHBondContact OG1-CG 3.24Å; T251-K253 PolarHBondContact OG1-N 2.97Å; T251-P322 PolarHBondContact N-O 3.22Å
252	G	94.4	Very high	95.8	Very high	18 Å²	18	37.8 Å²	37.8	19%	0.186	20%	0.203	C	C	.	.			trans	61.9	23.6	-169.9	0	0	0	0	0	113.8	Q320 P322	G252-Q320 VanDerWaalsContact C-CG 3.47Å; G252-Q320 VanDerWaalsContact O-CG 3.25Å; G252-Q320 WeakPolarHBondContact O-CG 3.39Å; G252-Q320 PolarHBondContact O-NE2 3.37Å; G252-P322 PolarHBondContact N-O 3.19Å
253	K	92.2	Very high	95.8	Very high	76 Å²	76	37.6 Å²	37.6	33%	0.33	20%	0.203	S	C	.	.			trans	-89	154.9	178.5	-69	176.8	-176.1	174.9	0	112.2	T251 E255 D257 L321	T251-K253 PolarHBondContact O-N 3.43Å; T251-K253 WeakPolarHBondContact OG1-CB 3.3Å; T251-K253 WeakPolarHBondContact OG1-CG 3.24Å; T251-K253 PolarHBondContact OG1-N 2.97Å; K253-E255 VanDerWaalsContact C-N 3.32Å; K253-E255 HydrophobicContact CB-CG 4.08Å; K253-E255 HydrophobicContact CD-CG 4.19Å; K253-D257 HydrophobicContact CD-CB 4.36Å; K253-D257 IonicContact NZ-OD2 2.7Å; K253-D257 PolarHBondContact NZ-OD2 3.01Å; K253-L321 WeakPolarHBondContact O-CB 3.28Å; K253-L321 PolarHBondContact O-N 3.4Å
254	N	90.4	Very high	95.8	Very high	119 Å²	119	36.5 Å²	36.5	64%	0.636	19%	0.194	S	C	*	.	S	Bend	trans	-94.9	12.9	168.9	-63.3	-21.7	0	0	0	112.1	Q320	N254-Q320 WeakPolarHBondContact OD1-CA 3.27Å; N254-Q320 WeakPolarHBondContact OD1-CB 3.36Å; N254-Q320 WeakPolarHBondContact OD1-CG 3.25Å
255	E	90.1	Very high	95.7	Very high	124 Å²	124	36.5 Å²	36.5	58%	0.579	19%	0.194	S	C	*	.	S	Bend	trans	-134.2	152.6	-178.2	59.7	176.1	-161	0	0	110.8	K253 D257	K253-E255 VanDerWaalsContact C-N 3.32Å; K253-E255 HydrophobicContact CB-CG 4.08Å; K253-E255 HydrophobicContact CD-CG 4.19Å; E255-D257 PolarHBondContact O-N 3.01Å
256	C	92.6	Very high	95.5	Very high	18 Å²	18	37.8 Å²	37.8	12%	0.122	20%	0.204	C	C	.	.			trans	-87.8	99.6	174.9	176.5	0	0	0	0	109.4	V258 C259 F377	C256-V258 PolarHBondContact O-N 2.85Å; C256-C259 HydrophobicContact CB-CB 3.53Å; C256-C259 WeakPolarHBondContact CB-SG 3.47Å; C256-C259 PolarHBondContact O-N 2.9Å; C256-C259 VanDerWaalsContact O-N 3.1Å; C256-C259 WeakPolarHBondContact SG-CB 3.42Å; C256-C259 PolarHBondContact SG-N 3.43Å; C256-C259 CovalentContact SG-SG 2.03Å; C256-C259 PolarHBondContact SG-SG 3.37Å; C256-F377 HydrophobicContact CB-CE1 3.86Å
257	D	95.1	Very high	95.2	Very high	23 Å²	23	40.1 Å²	40.1	12%	0.123	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-17.7	-178.1	50.7	5.8	0	0	0	114.4	H133 W247 K253 E255	H133-D257 PolarHBondContact CE1-O 2.98Å; H133-D257 IonicContact NE2-OD1 3.77Å; W247-D257 PolarHBondContact NE1-OD1 2.79Å; K253-D257 HydrophobicContact CD-CB 4.36Å; K253-D257 IonicContact NZ-OD2 2.7Å; K253-D257 PolarHBondContact NZ-OD2 3.01Å; E255-D257 PolarHBondContact O-N 3.01Å
258	V	97.1	Very high	95	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-7	170.6	-61.9	0	0	0	0	114.4	I132 H133 W247 C256 T260 L263 F264 I393	I132-V258 HydrophobicContact CG2-CG1 3.85Å; H133-V258 WeakPolarHBondContact NE2-CG1 3.43Å; W247-V258 HydrophobicContact CB-CG1 4.23Å; W247-V258 HydrophobicContact CD2-CG1 4.11Å; W247-V258 HydrophobicContact CD2-CG2 3.69Å; W247-V258 HydrophobicContact CE3-CG2 4.05Å; W247-V258 HydrophobicContact CG-CB 4.5Å; W247-V258 HydrophobicContact CG-CG1 3.63Å; W247-V258 HydrophobicContact CG-CG2 4.1Å; W247-V258 HydrophobicContact CH2-CG2 4.29Å; W247-V258 HydrophobicContact CZ2-CG2 3.94Å; W247-V258 HydrophobicContact CZ3-CG2 4.33Å; C256-V258 PolarHBondContact O-N 2.85Å; V258-T260 VanDerWaalsContact C-N 3.29Å; V258-T260 PolarHBondContact O-N 3.39Å; V258-T260 VanDerWaalsContact O-N 3.12Å; V258-L263 HydrophobicContact CB-CD1 4.3Å; V258-L263 HydrophobicContact CG1-CD1 4.26Å; V258-L263 WeakPolarHBondContact O-CB 2.99Å; V258-F264 HydrophobicContact CB-CD2 3.88Å; V258-F264 HydrophobicContact CB-CE2 4.17Å; V258-F264 HydrophobicContact CG2-CD2 4.19Å; V258-F264 PolarHBondContact O-N 2.98Å; V258-F264 VanDerWaalsContact O-N 3.09Å; V258-I393 HydrophobicContact CG2-CD1 4.02Å; V258-I393 HydrophobicContact CG2-CG1 4.33Å; V258-I393 HydrophobicContact CG2-CG2 4.44Å
259	C	95.8	Very high	94.6	Very high	22 Å²	22	47.2 Å²	47.2	15%	0.149	26%	0.26	C	S	.	.			trans	-89.1	63.7	178	-60.2	0	0	0	0	110.8	C256 G265 A266 R311	C256-C259 HydrophobicContact CB-CB 3.53Å; C256-C259 WeakPolarHBondContact CB-SG 3.47Å; C256-C259 PolarHBondContact O-N 2.9Å; C256-C259 VanDerWaalsContact O-N 3.1Å; C256-C259 WeakPolarHBondContact SG-CB 3.42Å; C256-C259 PolarHBondContact SG-N 3.43Å; C256-C259 CovalentContact SG-SG 2.03Å; C256-C259 PolarHBondContact SG-SG 3.37Å; C259-G265 CarbonylContact C-O 3.51Å; C259-G265 WeakPolarHBondContact CA-O 3.44Å; C259-A266 WeakPolarHBondContact O-CA 3.29Å; C259-R311 WeakPolarHBondContact SG-CD 3.38Å
260	T	95.9	Very high	94.3	Very high	49 Å²	49	53.4 Å²	53.4	30%	0.301	29%	0.293	S	S	.	.	S	Bend	trans	-129.6	156.1	177.5	66.1	0	0	0	0	110.3	V258 Q262 L263 F264 G265	V258-T260 VanDerWaalsContact C-N 3.29Å; V258-T260 PolarHBondContact O-N 3.39Å; V258-T260 VanDerWaalsContact O-N 3.12Å; T260-Q262 PolarHBondContact O-N 3.47Å; T260-Q262 VanDerWaalsContact O-N 3.1Å; T260-L263 CarbonylContact O-C 3.27Å; T260-L263 VanDerWaalsContact O-C 3.24Å; T260-L263 WeakPolarHBondContact O-CA 3.26Å; T260-L263 PolarHBondContact O-N 2.84Å; T260-F264 PolarHBondContact O-N 3.15Å; T260-G265 CarbonylContact O-C 3.05Å; T260-G265 VanDerWaalsContact O-CA 3.22Å; T260-G265 WeakPolarHBondContact O-CA 3.41Å; T260-G265 PolarHBondContact O-N 2.79Å
261	D	96.1	Very high	94.1	Very high	58 Å²	58	55.9 Å²	55.9	31%	0.31	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.8	179.5	-70.9	-10.2	0	0	0	113.7	L263 A266 S276 N278	D261-L263 VanDerWaalsContact C-N 3.33Å; D261-A266 WeakPolarHBondContact OD1-CB 3.24Å; D261-A266 PolarHBondContact OD1-N 3.23Å; D261-S276 VanDerWaalsContact CG-OG 3.31Å; D261-S276 WeakPolarHBondContact OD1-CB 3.22Å; D261-S276 PolarHBondContact OD1-OG 3.43Å; D261-S276 PolarHBondContact OD2-OG 3.48Å; D261-N278 HydrophobicContact CB-CB 4.22Å; D261-N278 WeakPolarHBondContact OD2-CB 3.18Å; D261-N278 PolarHBondContact OD2-ND2 3.28Å
262	Q	95.5	Very high	93.8	Very high	147 Å²	147	56 Å²	56	69%	0.687	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-8.3	171.7	-60.6	171.1	3.3	0	0	113.2	R140 T260	R140-Q262 WeakPolarHBondContact CD-O 3.25Å; T260-Q262 PolarHBondContact O-N 3.47Å; T260-Q262 VanDerWaalsContact O-N 3.1Å
263	L	97.4	Very high	93.7	Very high	8 Å²	8	56.8 Å²	56.8	4%	0.042	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132	-122	-178.2	-66.7	175.5	0	0	0	109.5	I132 R140 F144 V258 T260 D261 G265	I132-L263 HydrophobicContact CD1-CD2 4.21Å; I132-L263 HydrophobicContact CG1-CD2 3.91Å; R140-L263 HydrophobicContact CG-CD2 4.33Å; F144-L263 HydrophobicContact CE2-CD2 4.02Å; F144-L263 HydrophobicContact CZ-CB 4.24Å; F144-L263 HydrophobicContact CZ-CD2 3.81Å; V258-L263 HydrophobicContact CB-CD1 4.3Å; V258-L263 HydrophobicContact CG1-CD1 4.26Å; V258-L263 WeakPolarHBondContact O-CB 2.99Å; T260-L263 CarbonylContact O-C 3.27Å; T260-L263 VanDerWaalsContact O-C 3.24Å; T260-L263 WeakPolarHBondContact O-CA 3.26Å; T260-L263 PolarHBondContact O-N 2.84Å; D261-L263 VanDerWaalsContact C-N 3.33Å; L263-G265 PolarHBondContact O-N 3.15Å
264	F	97.2	Very high	93.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	20	-174.6	-57.4	-82.5	0	0	0	114.8	I132 F143 F144 V258 T260 F281 R311 P392 I393 V396	I132-F264 HydrophobicContact CD1-CE2 3.58Å; I132-F264 HydrophobicContact CD1-CZ 3.58Å; F143-F264 HydrophobicContact CE1-CE1 4.13Å; F143-F264 AromaticContact CE1-CZ 3.99Å; F143-F264 HydrophobicContact CE1-CZ 3.99Å; F144-F264 HydrophobicContact CE1-CD1 4.01Å; F144-F264 AromaticContact CE1-CE1 3.69Å; F144-F264 HydrophobicContact CE1-CE1 3.69Å; F144-F264 AromaticContact CE1-CZ 3.98Å; F144-F264 HydrophobicContact CE1-CZ 3.98Å; V258-F264 HydrophobicContact CB-CD2 3.88Å; V258-F264 HydrophobicContact CB-CE2 4.17Å; V258-F264 HydrophobicContact CG2-CD2 4.19Å; V258-F264 PolarHBondContact O-N 2.98Å; V258-F264 VanDerWaalsContact O-N 3.09Å; T260-F264 PolarHBondContact O-N 3.15Å; F264-F281 HydrophobicContact CB-CD2 4.42Å; F264-F281 HydrophobicContact CD1-CD2 4.43Å; F264-F281 AromaticContact CD1-CE2 3.88Å; F264-F281 HydrophobicContact CD1-CE2 3.88Å; F264-F281 HydrophobicContact CD1-CZ 4.22Å; F264-R311 PolarHBondContact O-NH1 2.96Å; F264-R311 PolarHBondContact O-NH2 3.15Å; F264-P392 HydrophobicContact CD1-CB 3.94Å; F264-P392 HydrophobicContact CD1-CG 3.88Å; F264-P392 HydrophobicContact CE1-CB 3.98Å; F264-P392 HydrophobicContact CE1-CG 4.44Å; F264-P392 WeakPolarHBondContact CE1-O 3.39Å; F264-I393 HydrophobicContact CB-CD1 3.95Å; F264-I393 HydrophobicContact CB-CG1 3.61Å; F264-I393 HydrophobicContact CD1-CG1 4.08Å; F264-I393 HydrophobicContact CD2-CD1 4.31Å; F264-I393 HydrophobicContact CD2-CG1 3.55Å; F264-I393 HydrophobicContact CE2-CG1 4.16Å; F264-I393 HydrophobicContact CG-CD1 4.3Å; F264-I393 HydrophobicContact CG-CG1 3.48Å; F264-I393 VanDerWaalsContact CG-CG1 3.48Å; F264-V396 HydrophobicContact CE2-CG1 4.44Å; F264-V396 HydrophobicContact CE2-CG2 3.62Å; F264-V396 HydrophobicContact CZ-CB 4.29Å; F264-V396 HydrophobicContact CZ-CG1 3.73Å; F264-V396 HydrophobicContact CZ-CG2 3.52Å
265	G	96.3	Very high	94.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.275	C	S	.	.			trans	83.7	138.7	-178.5	0	0	0	0	0	114	C259 T260 L263 S279 R311	C259-G265 CarbonylContact C-O 3.51Å; C259-G265 WeakPolarHBondContact CA-O 3.44Å; T260-G265 CarbonylContact O-C 3.05Å; T260-G265 VanDerWaalsContact O-CA 3.22Å; T260-G265 WeakPolarHBondContact O-CA 3.41Å; T260-G265 PolarHBondContact O-N 2.79Å; L263-G265 PolarHBondContact O-N 3.15Å; G265-S279 VanDerWaalsContact CA-CB 3.44Å; G265-S279 WeakPolarHBondContact CA-OG 3.39Å; G265-S279 PolarHBondContact N-OG 2.97Å; G265-R311 PolarHBondContact O-NH1 2.78Å
266	A	95.1	Very high	94.4	Very high	28 Å²	28	44.1 Å²	44.1	23%	0.231	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-76	167.7	170.3	0	0	0	0	0	111.8	C259 D261 S276	C259-A266 WeakPolarHBondContact O-CA 3.29Å; D261-A266 WeakPolarHBondContact OD1-CB 3.24Å; D261-A266 PolarHBondContact OD1-N 3.23Å; A266-S276 WeakPolarHBondContact O-CB 3.46Å; A266-S276 PolarHBondContact O-N 2.87Å
267	S	92.9	Very high	94.6	Very high	60 Å²	60	47.1 Å²	47.1	42%	0.42	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-62.2	134	166.4	-178.6	0	0	0	0	110	P272	S267-P272 WeakPolarHBondContact OG-CA 3.21Å
268	W	92.9	Very high	94.6	Very high	81 Å²	81	52.3 Å²	52.3	31%	0.307	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-72.1	136	170.3	-172.8	35.7	0	0	0	110	D270 D271 P272 L274 P277	W268-D270 HydrophobicContact CD2-CB 4.16Å; W268-D270 HydrophobicContact CE3-CB 4.44Å; W268-D270 HydrophobicContact CH2-CB 4.03Å; W268-D270 HydrophobicContact CZ2-CB 3.7Å; W268-D270 VanDerWaalsContact CZ2-OD2 3.32Å; W268-D270 WeakPolarHBondContact CZ2-OD2 3.29Å; W268-D270 HydrophobicContact CZ3-CB 4.39Å; W268-D270 PolarHBondContact NE1-OD2 2.73Å; W268-D271 HydrophobicContact CE3-CB 3.78Å; W268-D271 HydrophobicContact CZ3-CB 3.96Å; W268-D271 CarbonylContact O-C 3.38Å; W268-P272 WeakPolarHBondContact O-CA 3.49Å; W268-L274 HydrophobicContact CE3-CB 4.16Å; W268-L274 HydrophobicContact CE3-CD1 3.97Å; W268-L274 HydrophobicContact CZ3-CD1 3.99Å; W268-L274 PolarHBondContact N-O 3.03Å; W268-P277 VanDerWaalsContact CD1-CD 3.45Å
269	P	90.6	Very high	94.6	Very high	109 Å²	109	52.6 Å²	52.6	71%	0.708	30%	0.299	S	S	*	.	S	Bend	trans	-67.8	-32	-177.9	-27.5	38.1	0	0	0	115.2
270	D	90.8	Very high	94.6	Very high	129 Å²	129	55 Å²	55	69%	0.69	31%	0.305	S	S	*	.	S	Bend	trans	-80.5	-37.1	-174.6	-57.1	-48.8	0	0	0	112.3	W268	W268-D270 HydrophobicContact CD2-CB 4.16Å; W268-D270 HydrophobicContact CE3-CB 4.44Å; W268-D270 HydrophobicContact CH2-CB 4.03Å; W268-D270 HydrophobicContact CZ2-CB 3.7Å; W268-D270 VanDerWaalsContact CZ2-OD2 3.32Å; W268-D270 WeakPolarHBondContact CZ2-OD2 3.29Å; W268-D270 HydrophobicContact CZ3-CB 4.39Å; W268-D270 PolarHBondContact NE1-OD2 2.73Å
271	D	91.8	Very high	94.6	Very high	58 Å²	58	52.8 Å²	52.8	31%	0.31	29%	0.291	S	S	.	.			trans	-130.3	98.5	166.3	-176.3	-15.1	0	0	0	109.8	W268 S273 L274	W268-D271 HydrophobicContact CE3-CB 3.78Å; W268-D271 HydrophobicContact CZ3-CB 3.96Å; W268-D271 CarbonylContact O-C 3.38Å; D271-S273 PolarHBondContact O-N 2.79Å; D271-S273 WeakPolarHBondContact OD1-CA 3.03Å; D271-S273 VanDerWaalsContact OD1-CB 3.28Å; D271-S273 WeakPolarHBondContact OD1-CB 3.4Å; D271-S273 PolarHBondContact OD1-N 3.47Å; D271-S273 PolarHBondContact OD1-OG 3.31Å; D271-S273 PolarHBondContact OD2-OG 3.45Å; D271-L274 HydrophobicContact CB-CD1 4.07Å; D271-L274 HydrophobicContact CB-CG 4.24Å; D271-L274 PolarHBondContact O-N 3.3Å
272	P	90.1	Very high	94.6	Very high	50 Å²	50	51.5 Å²	51.5	33%	0.325	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	2.8	178.8	-24.2	35.6	0	0	0	116.1	S267 W268	S267-P272 WeakPolarHBondContact OG-CA 3.21Å; W268-P272 WeakPolarHBondContact O-CA 3.49Å
273	S	91.3	Very high	94.7	Very high	34 Å²	34	50.5 Å²	50.5	24%	0.238	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-6.4	168.3	77.6	0	0	0	0	113.3	D271 R310 R311	D271-S273 PolarHBondContact O-N 2.79Å; D271-S273 WeakPolarHBondContact OD1-CA 3.03Å; D271-S273 VanDerWaalsContact OD1-CB 3.28Å; D271-S273 WeakPolarHBondContact OD1-CB 3.4Å; D271-S273 PolarHBondContact OD1-N 3.47Å; D271-S273 PolarHBondContact OD1-OG 3.31Å; D271-S273 PolarHBondContact OD2-OG 3.45Å; S273-R310 CarbonylContact O-C 3.11Å; S273-R310 WeakPolarHBondContact O-CA 3.34Å; S273-R310 WeakPolarHBondContact O-CB 3.42Å; S273-R311 CarbonylContact C-O 3.26Å; S273-R311 VanDerWaalsContact CA-O 3.28Å; S273-R311 WeakPolarHBondContact CA-O 3.22Å; S273-R311 PolarHBondContact O-N 3.11Å; S273-R311 VanDerWaalsContact O-O 3.08Å
274	L	95.3	Very high	94.7	Very high	35 Å²	35	50.4 Å²	50.4	18%	0.183	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-112.4	157.2	-179	-63.3	179.2	0	0	0	112.3	W268 D271 P308 R310	W268-L274 HydrophobicContact CE3-CB 4.16Å; W268-L274 HydrophobicContact CE3-CD1 3.97Å; W268-L274 HydrophobicContact CZ3-CD1 3.99Å; W268-L274 PolarHBondContact N-O 3.03Å; D271-L274 HydrophobicContact CB-CD1 4.07Å; D271-L274 HydrophobicContact CB-CG 4.24Å; D271-L274 PolarHBondContact O-N 3.3Å; L274-P308 HydrophobicContact CD2-CB 4.11Å; L274-P308 HydrophobicContact CD2-CG 3.79Å; L274-R310 HydrophobicContact CD2-CG 4.23Å
275	I	96.3	Very high	94.7	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.041	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-80.3	137.8	175.5	-61.2	179.6	0	0	0	110.2	F281 S282 L309	I275-F281 HydrophobicContact CD1-CB 4.1Å; I275-S282 WeakPolarHBondContact O-CB 3.27Å; I275-L309 HydrophobicContact CD1-CB 4.32Å; I275-L309 HydrophobicContact CD1-CD2 3.46Å; I275-L309 VanDerWaalsContact CD1-CD2 3.46Å; I275-L309 HydrophobicContact CD1-CG 3.77Å
276	S	96.5	Very high	94.8	Very high	9 Å²	9	53.8 Å²	53.8	6%	0.063	30%	0.301	C	S	.	.			trans	-45.8	128.9	173.3	174.1	0	0	0	0	112.4	D261 A266 N278 S279 S282	D261-S276 VanDerWaalsContact CG-OG 3.31Å; D261-S276 WeakPolarHBondContact OD1-CB 3.22Å; D261-S276 PolarHBondContact OD1-OG 3.43Å; D261-S276 PolarHBondContact OD2-OG 3.48Å; A266-S276 WeakPolarHBondContact O-CB 3.46Å; A266-S276 PolarHBondContact O-N 2.87Å; S276-N278 PolarHBondContact O-N 3.2Å; S276-N278 PolarHBondContact OG-N 3.3Å; S276-N278 PolarHBondContact OG-ND2 3.31Å; S276-S279 PolarHBondContact O-N 2.91Å; S276-S282 WeakPolarHBondContact O-CB 3.37Å
277	P	96.5	Very high	95	Very high	82 Å²	82	52.5 Å²	52.5	53%	0.532	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-17.2	176.8	-28.6	36.2	0	0	0	115.6	W268 S279	W268-P277 VanDerWaalsContact CD1-CD 3.45Å; P277-S279 PolarHBondContact O-N 3.36Å
278	N	96.1	Very high	95.2	Very high	131 Å²	131	49.7 Å²	49.7	70%	0.701	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-20.3	174.5	-58.1	-36.1	0	0	0	112.7	D261 S276	D261-N278 HydrophobicContact CB-CB 4.22Å; D261-N278 WeakPolarHBondContact OD2-CB 3.18Å; D261-N278 PolarHBondContact OD2-ND2 3.28Å; S276-N278 PolarHBondContact O-N 3.2Å; S276-N278 PolarHBondContact OG-N 3.3Å; S276-N278 PolarHBondContact OG-ND2 3.31Å
279	S	96.3	Very high	95.4	Very high	6 Å²	6	48.3 Å²	48.3	4%	0.042	27%	0.269	C	S	.	.	S	Bend	trans	-91.3	135.1	178.6	-177.8	0	0	0	0	111.3	G265 S276 P277 F281 S282	G265-S279 VanDerWaalsContact CA-CB 3.44Å; G265-S279 WeakPolarHBondContact CA-OG 3.39Å; G265-S279 PolarHBondContact N-OG 2.97Å; S276-S279 PolarHBondContact O-N 2.91Å; P277-S279 PolarHBondContact O-N 3.36Å; S279-F281 PolarHBondContact O-N 2.87Å; S279-F281 WeakPolarHBondContact OG-CD2 3.33Å; S279-F281 PolarHBondContact OG-N 3.12Å; S279-S282 WeakPolarHBondContact O-CB 3.42Å; S279-S282 PolarHBondContact O-N 2.87Å; S279-S282 PolarHBondContact O-OG 3.39Å
280	R	94.9	Very high	95.7	Very high	74 Å²	74	45 Å²	45	28%	0.279	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.5	175	71.2	-175.8	68	178.4	0.7	114.2	E141 F144	E141-R280 IonicContact OE1-CZ 2.86Å; E141-R280 IonicContact OE1-NH1 2.84Å; E141-R280 PolarHBondContact OE1-NH1 3.22Å; E141-R280 IonicContact OE1-NH2 3.95Å; E141-R280 PolarHBondContact OE1-NH2 3.19Å; E141-R280 IonicContact OE2-CZ 3.76Å; E141-R280 IonicContact OE2-NH1 3.53Å; E141-R280 IonicContact OE2-NH2 3.94Å; E141-R280 PolarHBondContact OE2-NH2 2.88Å; F144-R280 VanDerWaalsContact C-NH1 3.32Å; F144-R280 PolarHBondContact O-NH1 3.21Å
281	F	97	Very high	95.9	Very high	1 Å²	1	40 Å²	40	0%	0.004	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-15.2	175.9	-57.1	-59.2	0	0	0	113.5	F144 F264 I275 S279 L283 W284 P392	F144-F281 AromaticContact CD1-CE2 3.93Å; F144-F281 HydrophobicContact CD1-CE2 3.93Å; F144-F281 AromaticContact CD1-CZ 3.67Å; F144-F281 HydrophobicContact CD1-CZ 3.67Å; F144-F281 HydrophobicContact CE1-CE2 4.12Å; F144-F281 HydrophobicContact CE1-CZ 4.19Å; F144-F281 HydrophobicContact CG-CE2 4.45Å; F144-F281 HydrophobicContact CG-CZ 4.31Å; F264-F281 HydrophobicContact CB-CD2 4.42Å; F264-F281 HydrophobicContact CD1-CD2 4.43Å; F264-F281 AromaticContact CD1-CE2 3.88Å; F264-F281 HydrophobicContact CD1-CE2 3.88Å; F264-F281 HydrophobicContact CD1-CZ 4.22Å; I275-F281 HydrophobicContact CD1-CB 4.1Å; S279-F281 PolarHBondContact O-N 2.87Å; S279-F281 WeakPolarHBondContact OG-CD2 3.33Å; S279-F281 PolarHBondContact OG-N 3.12Å; F281-L283 PolarHBondContact O-N 3.48Å; F281-W284 AromaticContact CD1-CD2 3.87Å; F281-W284 HydrophobicContact CD1-CD2 3.87Å; F281-W284 AromaticContact CD1-CE2 3.6Å; F281-W284 HydrophobicContact CD1-CE3 4.28Å; F281-W284 HydrophobicContact CD1-CG 4.36Å; F281-W284 HydrophobicContact CD1-CH2 4.27Å; F281-W284 AromaticContact CD1-CZ2 3.84Å; F281-W284 HydrophobicContact CD1-CZ2 3.84Å; F281-W284 HydrophobicContact CD1-CZ3 4.47Å; F281-W284 AromaticContact CD1-NE1 3.92Å; F281-W284 AromaticContact CE1-CE2 3.91Å; F281-W284 HydrophobicContact CE1-CH2 4.05Å; F281-W284 AromaticContact CE1-CZ2 3.66Å; F281-W284 HydrophobicContact CE1-CZ2 3.66Å; F281-W284 WeakPolarHBondContact O-CB 3.31Å; F281-W284 PolarHBondContact O-N 3.41Å; F281-W284 VanDerWaalsContact O-N 3.17Å; F281-P392 HydrophobicContact CD1-CB 4.47Å; F281-P392 HydrophobicContact CD1-CG 3.55Å; F281-P392 HydrophobicContact CD2-CG 4.35Å; F281-P392 HydrophobicContact CE1-CB 4.1Å; F281-P392 HydrophobicContact CE1-CG 3.63Å; F281-P392 HydrophobicContact CE2-CG 4.43Å; F281-P392 HydrophobicContact CG-CG 3.92Å; F281-P392 HydrophobicContact CZ-CB 4.42Å; F281-P392 HydrophobicContact CZ-CG 4.08Å
282	S	96.8	Very high	96.1	Very high	32 Å²	32	43.7 Å²	43.7	22%	0.224	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.3	169.2	64.9	0	0	0	0	112.9	I275 S276 S279 W284	I275-S282 WeakPolarHBondContact O-CB 3.27Å; S276-S282 WeakPolarHBondContact O-CB 3.37Å; S279-S282 WeakPolarHBondContact O-CB 3.42Å; S279-S282 PolarHBondContact O-N 2.87Å; S279-S282 PolarHBondContact O-OG 3.39Å; S282-W284 VanDerWaalsContact C-N 3.31Å
283	L	96.3	Very high	96.4	Very high	125 Å²	125	44.7 Å²	44.7	65%	0.654	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-14.1	176.5	-58.4	176.6	0	0	0	113	F281 Q285	F281-L283 PolarHBondContact O-N 3.48Å; L283-Q285 PolarHBondContact O-N 3.28Å
284	W	97.8	Very high	96.6	Very high	7 Å²	7	43.6 Å²	43.6	3%	0.027	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-73.7	123.1	-175.1	-78.9	23.8	0	0	0	111.3	L147 H148 K151 Y184 F281 S282 L309 P392	L147-W284 HydrophobicContact CB-CH2 4.4Å; L147-W284 HydrophobicContact CB-CZ2 4.36Å; H148-W284 AromaticContact ND1-NE1 3.54Å; K151-W284 HydrophobicContact CB-CD2 4.4Å; K151-W284 HydrophobicContact CB-CH2 4.26Å; K151-W284 HydrophobicContact CB-CZ2 3.61Å; K151-W284 HydrophobicContact CD-CD2 3.97Å; K151-W284 HydrophobicContact CD-CE3 4.04Å; K151-W284 HydrophobicContact CD-CG 4.47Å; K151-W284 HydrophobicContact CD-CH2 4.42Å; K151-W284 HydrophobicContact CD-CZ2 4.36Å; K151-W284 HydrophobicContact CD-CZ3 4.27Å; K151-W284 HydrophobicContact CG-CD2 3.84Å; K151-W284 HydrophobicContact CG-CE3 4.4Å; K151-W284 HydrophobicContact CG-CG 4.12Å; K151-W284 HydrophobicContact CG-CZ2 3.99Å; Y184-W284 AromaticContact CD1-CH2 3.98Å; Y184-W284 HydrophobicContact CD1-CH2 3.98Å; Y184-W284 AromaticContact CD1-CZ3 3.76Å; Y184-W284 HydrophobicContact CD1-CZ3 3.76Å; Y184-W284 AromaticContact CD2-CH2 3.87Å; Y184-W284 HydrophobicContact CD2-CH2 3.87Å; Y184-W284 HydrophobicContact CD2-CZ3 4.36Å; Y184-W284 HydrophobicContact CE1-CE3 4.47Å; Y184-W284 HydrophobicContact CE1-CH2 4Å; Y184-W284 AromaticContact CE1-CZ3 3.49Å; Y184-W284 HydrophobicContact CE1-CZ3 3.49Å; Y184-W284 VanDerWaalsContact CE1-CZ3 3.49Å; Y184-W284 AromaticContact CE2-CH2 3.87Å; Y184-W284 HydrophobicContact CE2-CH2 3.87Å; Y184-W284 HydrophobicContact CE2-CZ3 4.11Å; Y184-W284 AromaticContact CG-CH2 3.93Å; Y184-W284 HydrophobicContact CG-CH2 3.93Å; Y184-W284 HydrophobicContact CG-CZ3 4.2Å; Y184-W284 AromaticContact CZ-CH2 3.97Å; Y184-W284 AromaticContact CZ-CZ3 3.71Å; F281-W284 AromaticContact CD1-CD2 3.87Å; F281-W284 HydrophobicContact CD1-CD2 3.87Å; F281-W284 AromaticContact CD1-CE2 3.6Å; F281-W284 HydrophobicContact CD1-CE3 4.28Å; F281-W284 HydrophobicContact CD1-CG 4.36Å; F281-W284 HydrophobicContact CD1-CH2 4.27Å; F281-W284 AromaticContact CD1-CZ2 3.84Å; F281-W284 HydrophobicContact CD1-CZ2 3.84Å; F281-W284 HydrophobicContact CD1-CZ3 4.47Å; F281-W284 AromaticContact CD1-NE1 3.92Å; F281-W284 AromaticContact CE1-CE2 3.91Å; F281-W284 HydrophobicContact CE1-CH2 4.05Å; F281-W284 AromaticContact CE1-CZ2 3.66Å; F281-W284 HydrophobicContact CE1-CZ2 3.66Å; F281-W284 WeakPolarHBondContact O-CB 3.31Å; F281-W284 PolarHBondContact O-N 3.41Å; F281-W284 VanDerWaalsContact O-N 3.17Å; S282-W284 VanDerWaalsContact C-N 3.31Å; W284-L309 PolarHBondContact O-N 3.24Å; W284-P392 HydrophobicContact CE3-CG 4.24Å; W284-P392 HydrophobicContact CH2-CB 4.04Å; W284-P392 HydrophobicContact CH2-CG 4.22Å; W284-P392 HydrophobicContact CZ3-CB 3.9Å; W284-P392 HydrophobicContact CZ3-CG 3.82Å
285	Q	97.9	Very high	96.7	Very high	63 Å²	63	42.3 Å²	42.3	29%	0.294	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-84.6	142.1	163.2	-57	-52.1	-68.5	0	0	110.3	K151 L283 D305 G307	K151-Q285 WeakPolarHBondContact CE-O 3.25Å; K151-Q285 PolarHBondContact NZ-O 2.65Å; L283-Q285 PolarHBondContact O-N 3.28Å; Q285-D305 HydrophobicContact CB-CB 3.57Å; Q285-D305 WeakPolarHBondContact CB-OD1 3.41Å; Q285-D305 HydrophobicContact CG-CB 3.88Å; Q285-G307 CarbonylContact C-O 3.49Å; Q285-G307 VanDerWaalsContact CA-O 3.25Å; Q285-G307 WeakPolarHBondContact CA-O 3.03Å; Q285-G307 PolarHBondContact OE1-O 3.42Å
286	I	98.1	Very high	96.7	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.041	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-86.4	157.9	175.7	73.7	-176.4	0	0	0	110.4	N289 E306 G307 L309 T381 N390	I286-N289 HydrophobicContact CD1-CB 3.7Å; I286-N289 HydrophobicContact CG1-CB 4.17Å; I286-E306 HydrophobicContact CG1-CB 4.36Å; I286-E306 PolarHBondContact O-N 2.9Å; I286-G307 PolarHBondContact N-O 3.36Å; I286-L309 HydrophobicContact CG2-CB 4.04Å; I286-L309 HydrophobicContact CG2-CD1 4.29Å; I286-T381 HydrophobicContact CG2-CG2 4.29Å; I286-N390 VanDerWaalsContact CA-OD1 3.3Å; I286-N390 WeakPolarHBondContact CA-OD1 3.2Å; I286-N390 HydrophobicContact CB-CB 4Å; I286-N390 HydrophobicContact CG2-CB 3.84Å
287	V	98.4	Very high	96.7	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.27	C	S	.	.			trans	-127.5	160.7	171.2	-59.5	0	0	0	0	109.8	N185 V188 N289 G303 N390	N185-V287 HydrophobicContact CB-CG2 4.31Å; N185-V287 WeakPolarHBondContact ND2-CG1 3.41Å; V188-V287 HydrophobicContact CB-CG2 4.07Å; V188-V287 HydrophobicContact CG1-CG2 3.68Å; V287-N289 VanDerWaalsContact C-N 3.33Å; V287-N289 PolarHBondContact O-N 2.89Å; V287-G303 WeakPolarHBondContact CG1-O 3.21Å; V287-N390 PolarHBondContact N-OD1 2.85Å; V287-N390 PolarHBondContact O-ND2 3.01Å
288	C	97.8	Very high	96.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	69.8	20.5	171.5	-46.5	0	0	0	0	116.2	Y192 Y294 C301 E306 H386	Y192-C288 HydrophobicContact CD1-CB 4.25Å; Y192-C288 HydrophobicContact CD2-CB 3.61Å; Y192-C288 HydrophobicContact CE2-CB 4.32Å; Y192-C288 HydrophobicContact CG-CB 3.57Å; C288-Y294 VanDerWaalsContact CA-OH 3.31Å; C288-Y294 WeakPolarHBondContact CA-OH 3.48Å; C288-C301 WeakPolarHBondContact CA-SG 3.43Å; C288-C301 HydrophobicContact CB-CB 3.58Å; C288-C301 WeakPolarHBondContact CB-SG 3.33Å; C288-C301 PolarHBondContact N-SG 3.2Å; C288-C301 WeakPolarHBondContact SG-CB 3.49Å; C288-C301 CovalentContact SG-SG 2.03Å; C288-C301 PolarHBondContact SG-SG 2.04Å; C288-E306 PolarHBondContact N-OE2 3.32Å; C288-E306 VanDerWaalsContact N-OE2 3.11Å; C288-H386 PolarHBondContact O-CD2 3.44Å
289	N	97.1	Very high	96.7	Very high	52 Å²	52	44.6 Å²	44.6	28%	0.278	23%	0.226	S	C	.	.			trans	-88.4	-20.7	179.6	-168.7	84.6	0	0	0	113.2	I286 V287 L291 E306 L384 A387	I286-N289 HydrophobicContact CD1-CB 3.7Å; I286-N289 HydrophobicContact CG1-CB 4.17Å; V287-N289 VanDerWaalsContact C-N 3.33Å; V287-N289 PolarHBondContact O-N 2.89Å; N289-L291 PolarHBondContact O-N 3.24Å; N289-E306 WeakPolarHBondContact CA-OE2 3.46Å; N289-E306 HydrophobicContact CB-CB 4.46Å; N289-E306 PolarHBondContact N-OE2 3.13Å; N289-L384 WeakPolarHBondContact OD1-CD1 3.23Å; N289-A387 HydrophobicContact CB-CB 4.37Å
290	S	96.4	Very high	96.8	Very high	39 Å²	39	44.5 Å²	44.5	27%	0.273	23%	0.225	S	C	.	.			trans	-79.5	46.2	179.9	-50.2	0	0	0	0	114.3	D292 D293 Y294 E306	S290-D292 VanDerWaalsContact C-N 3.32Å; S290-D292 PolarHBondContact O-N 2.94Å; S290-D293 PolarHBondContact O-N 3.27Å; S290-Y294 WeakPolarHBondContact O-CD1 3.4Å; S290-Y294 WeakPolarHBondContact O-CD2 3.44Å; S290-Y294 PolarHBondContact O-N 3.41Å; S290-Y294 VanDerWaalsContact O-N 3.12Å; S290-E306 WeakPolarHBondContact CB-OE1 3.46Å; S290-E306 PolarHBondContact N-OE2 3.15Å; S290-E306 PolarHBondContact OG-OE1 2.04Å; S290-E306 PolarHBondContact OG-OE2 3.23Å
291	L	95.1	Very high	96.9	Very high	25 Å²	25	41 Å²	41	13%	0.131	21%	0.212	C	C	.	.	H	α-helix	trans	-54.2	-43	-172.8	-176.8	63.3	0	0	0	113.4	Y192 R196 N289 D293 Y294 N295 H386	Y192-L291 HydrophobicContact CE2-CD1 4.21Å; R196-L291 HydrophobicContact CB-CD1 4.31Å; N289-L291 PolarHBondContact O-N 3.24Å; L291-D293 VanDerWaalsContact C-N 3.3Å; L291-D293 PolarHBondContact O-N 3.44Å; L291-Y294 PolarHBondContact O-N 3.41Å; L291-N295 WeakPolarHBondContact O-CB 3.42Å; L291-N295 VanDerWaalsContact O-CG 3.25Å; L291-N295 PolarHBondContact O-N 2.88Å; L291-N295 PolarHBondContact O-ND2 2.85Å; L291-H386 HydrophobicContact CD2-CB 4.37Å; L291-H386 WeakPolarHBondContact CD2-ND1 3.42Å
292	D	95.4	Very high	96.8	Very high	136 Å²	136	43.7 Å²	43.7	73%	0.727	23%	0.226	S	C	*	.	H	α-helix	trans	-61.5	-35.9	178.3	-75.1	-28.2	0	0	0	113	S290 R296	S290-D292 VanDerWaalsContact C-N 3.32Å; S290-D292 PolarHBondContact O-N 2.94Å; D292-R296 WeakPolarHBondContact O-CB 3.37Å; D292-R296 PolarHBondContact O-N 3.19Å
293	D	96.6	Very high	96.7	Very high	71 Å²	71	42.9 Å²	42.9	38%	0.38	22%	0.223	S	C	.	.	H	α-helix	trans	-74.4	-37.6	177	-89.9	-30.9	0	0	0	111.8	S290 L291 N295 R296 L297	S290-D293 PolarHBondContact O-N 3.27Å; L291-D293 VanDerWaalsContact C-N 3.3Å; L291-D293 PolarHBondContact O-N 3.44Å; D293-N295 VanDerWaalsContact C-N 3.32Å; D293-N295 PolarHBondContact O-N 3.06Å; D293-R296 PolarHBondContact O-N 3.09Å; D293-R296 IonicContact OD1-CZ 3.16Å; D293-R296 IonicContact OD1-NE 3.71Å; D293-R296 PolarHBondContact OD1-NE 3.22Å; D293-R296 IonicContact OD1-NH2 2.66Å; D293-R296 PolarHBondContact OD1-NH2 3.48Å; D293-L297 VanDerWaalsContact O-CB 3.27Å; D293-L297 WeakPolarHBondContact O-CB 3.5Å; D293-L297 VanDerWaalsContact O-CG 3.25Å; D293-L297 WeakPolarHBondContact O-CG 3.22Å; D293-L297 PolarHBondContact O-N 3.05Å
294	Y	96.7	Very high	96.7	Very high	11 Å²	11	40.5 Å²	40.5	4%	0.043	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-44.1	172.8	-51.4	-27.3	0	0	0	111	Y192 C288 S290 L291 L297 V298 T299 C301 E306	Y192-Y294 AromaticContact CE2-CD2 3.67Å; Y192-Y294 HydrophobicContact CE2-CD2 3.67Å; Y192-Y294 AromaticContact CE2-CE2 3.78Å; Y192-Y294 HydrophobicContact CE2-CE2 3.78Å; Y192-Y294 AromaticContact CZ-CD2 3.75Å; Y192-Y294 VanDerWaalsContact OH-CD2 3.25Å; Y192-Y294 WeakPolarHBondContact OH-CD2 3.48Å; C288-Y294 VanDerWaalsContact CA-OH 3.31Å; C288-Y294 WeakPolarHBondContact CA-OH 3.48Å; S290-Y294 WeakPolarHBondContact O-CD1 3.4Å; S290-Y294 WeakPolarHBondContact O-CD2 3.44Å; S290-Y294 PolarHBondContact O-N 3.41Å; S290-Y294 VanDerWaalsContact O-N 3.12Å; L291-Y294 PolarHBondContact O-N 3.41Å; Y294-L297 PolarHBondContact O-N 3.47Å; Y294-V298 WeakPolarHBondContact O-CA 3.19Å; Y294-V298 PolarHBondContact O-N 2.96Å; Y294-T299 PolarHBondContact O-N 2.76Å; Y294-T299 VanDerWaalsContact O-N 3.12Å; Y294-C301 HydrophobicContact CE2-CB 3.8Å; Y294-E306 PolarHBondContact OH-OE1 2.78Å; Y294-E306 PolarHBondContact OH-OE2 3.37Å
295	N	96.8	Very high	96.7	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-40.8	174	-72.8	-19.9	0	0	0	113	D197 L199 G203 P205 L291 D293	D197-N295 PolarHBondContact OD2-ND2 2.96Å; L199-N295 WeakPolarHBondContact CD2-OD1 3.46Å; G203-N295 PolarHBondContact N-O 3.17Å; P205-N295 HydrophobicContact CB-CB 4.16Å; P205-N295 HydrophobicContact CG-CB 4.09Å; L291-N295 WeakPolarHBondContact O-CB 3.42Å; L291-N295 VanDerWaalsContact O-CG 3.25Å; L291-N295 PolarHBondContact O-N 2.88Å; L291-N295 PolarHBondContact O-ND2 2.85Å; D293-N295 VanDerWaalsContact C-N 3.32Å; D293-N295 PolarHBondContact O-N 3.06Å
296	R	96.9	Very high	96.7	Very high	134 Å²	134	44.4 Å²	44.4	51%	0.506	24%	0.236	S	C	.	.	H	α-helix	trans	-68.3	-38.2	178.8	-174.4	175.2	65.4	84.8	-2.1	112.3	P202 D292 D293	P202-R296 VanDerWaalsContact CA-O 3.32Å; P202-R296 WeakPolarHBondContact CA-O 3.28Å; P202-R296 WeakPolarHBondContact CB-O 3.4Å; D292-R296 WeakPolarHBondContact O-CB 3.37Å; D292-R296 PolarHBondContact O-N 3.19Å; D293-R296 PolarHBondContact O-N 3.09Å; D293-R296 IonicContact OD1-CZ 3.16Å; D293-R296 IonicContact OD1-NE 3.71Å; D293-R296 PolarHBondContact OD1-NE 3.22Å; D293-R296 IonicContact OD1-NH2 2.66Å; D293-R296 PolarHBondContact OD1-NH2 3.48Å
297	L	96.3	Very high	96.6	Very high	93 Å²	93	45 Å²	45	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-96.8	-10.9	-173.8	-61.1	174.2	0	0	0	113.9	D293 Y294 T299	D293-L297 VanDerWaalsContact O-CB 3.27Å; D293-L297 WeakPolarHBondContact O-CB 3.5Å; D293-L297 VanDerWaalsContact O-CG 3.25Å; D293-L297 WeakPolarHBondContact O-CG 3.22Å; D293-L297 PolarHBondContact O-N 3.05Å; Y294-L297 PolarHBondContact O-N 3.47Å; L297-T299 VanDerWaalsContact C-N 3.26Å; L297-T299 HydrophobicContact CB-CG2 3.81Å
298	V	95.9	Very high	96.6	Very high	27 Å²	27	47.1 Å²	47.1	16%	0.164	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	36.6	-173.4	-167.6	0	0	0	0	111.3	H164 L199 P202 Y294	H164-V298 HydrophobicContact CB-CG1 4.03Å; H164-V298 WeakPolarHBondContact CB-O 3.41Å; L199-V298 HydrophobicContact CB-CG1 4.08Å; P202-V298 HydrophobicContact CB-CG2 4.49Å; P202-V298 HydrophobicContact CG-CG2 4.02Å; Y294-V298 WeakPolarHBondContact O-CA 3.19Å; Y294-V298 PolarHBondContact O-N 2.96Å
299	T	96.4	Very high	96.5	Very high	25 Å²	25	47.3 Å²	47.3	15%	0.153	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-109.4	174.5	178.1	63	0	0	0	0	110.7	L199 Y294 L297	L199-T299 WeakPolarHBondContact CD1-O 3.22Å; Y294-T299 PolarHBondContact O-N 2.76Å; Y294-T299 VanDerWaalsContact O-N 3.12Å; L297-T299 VanDerWaalsContact C-N 3.26Å; L297-T299 HydrophobicContact CB-CG2 3.81Å
300	L	97.5	Very high	96.4	Very high	4 Å²	4	51 Å²	51	2%	0.021	27%	0.269	C	S	.	.			trans	-111.9	163.3	171.3	-59.2	175.4	0	0	0	109.8	A161 T162 Q163 W189 Y193 L199 N302	A161-L300 HydrophobicContact CB-CD1 4.17Å; A161-L300 WeakPolarHBondContact O-CB 3.41Å; T162-L300 PolarHBondContact O-N 3.19Å; Q163-L300 WeakPolarHBondContact O-CD1 3.41Å; W189-L300 HydrophobicContact CZ2-CD1 4.17Å; Y193-L300 HydrophobicContact CD2-CD1 4.23Å; Y193-L300 HydrophobicContact CD2-CD2 4.32Å; Y193-L300 HydrophobicContact CE2-CD1 3.81Å; Y193-L300 HydrophobicContact CE2-CD2 4.24Å; L199-L300 HydrophobicContact CD1-CD2 4.07Å; L300-N302 PolarHBondContact O-N 3.47Å
301	C	97.4	Very high	96.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.			trans	-50.1	126.4	165.2	176.2	0	0	0	0	110.5	W189 Y192 C288 Y294	W189-C301 PolarHBondContact NE1-O 2.95Å; Y192-C301 HydrophobicContact CD1-CB 3.66Å; Y192-C301 HydrophobicContact CD2-CB 4.42Å; Y192-C301 HydrophobicContact CE1-CB 3.38Å; Y192-C301 HydrophobicContact CE2-CB 4.18Å; Y192-C301 HydrophobicContact CG-CB 4.19Å; Y192-C301 PolarHBondContact OH-N 2.97Å; C288-C301 WeakPolarHBondContact CA-SG 3.43Å; C288-C301 HydrophobicContact CB-CB 3.58Å; C288-C301 WeakPolarHBondContact CB-SG 3.33Å; C288-C301 PolarHBondContact N-SG 3.2Å; C288-C301 WeakPolarHBondContact SG-CB 3.49Å; C288-C301 CovalentContact SG-SG 2.03Å; C288-C301 PolarHBondContact SG-SG 2.04Å; Y294-C301 HydrophobicContact CE2-CB 3.8Å
302	N	95.9	Very high	95.4	Very high	58 Å²	58	49.2 Å²	49.2	31%	0.31	26%	0.259	S	S	.	.			trans	-98.3	-0.3	-177.4	65.6	-8.1	0	0	0	113.4	I160 T162 A179 L300 T304	I160-N302 VanDerWaalsContact CD1-C 3.41Å; T162-N302 HydrophobicContact CG2-CB 3.94Å; A179-N302 WeakPolarHBondContact CB-O 3.21Å; L300-N302 PolarHBondContact O-N 3.47Å; N302-T304 VanDerWaalsContact C-N 3.31Å; N302-T304 WeakPolarHBondContact ND2-CG2 3.15Å; N302-T304 PolarHBondContact ND2-OG1 2.95Å; N302-T304 VanDerWaalsContact ND2-OG1 3.1Å; N302-T304 PolarHBondContact O-N 2.79Å; N302-T304 PolarHBondContact OD1-N 3.47Å; N302-T304 PolarHBondContact OD1-OG1 3.46Å
303	G	94.6	Very high	93.7	Very high	14 Å²	14	45.4 Å²	45.4	14%	0.144	24%	0.241	C	C	.	.			trans	73.8	12.1	-177.9	0	0	0	0	0	115.5	V287	V287-G303 WeakPolarHBondContact CG1-O 3.21Å
304	T	95.7	Very high	91.7	Very high	76 Å²	76	45.6 Å²	45.6	47%	0.466	24%	0.242	S	C	.	.			trans	-76.1	151.8	169.7	57.1	0	0	0	0	111.3	N302	N302-T304 VanDerWaalsContact C-N 3.31Å; N302-T304 WeakPolarHBondContact ND2-CG2 3.15Å; N302-T304 PolarHBondContact ND2-OG1 2.95Å; N302-T304 VanDerWaalsContact ND2-OG1 3.1Å; N302-T304 PolarHBondContact O-N 2.79Å; N302-T304 PolarHBondContact OD1-N 3.47Å; N302-T304 PolarHBondContact OD1-OG1 3.46Å
305	D	97.5	Very high	89.5	Confident	105 Å²	105	56 Å²	56	56%	0.561	28%	0.281	S	S	*	.			trans	-64.8	129.4	-179.5	-67.6	-18	0	0	0	112.5	Q285	Q285-D305 HydrophobicContact CB-CB 3.57Å; Q285-D305 WeakPolarHBondContact CB-OD1 3.41Å; Q285-D305 HydrophobicContact CG-CB 3.88Å
306	E	97.6	Very high	87	Confident	47 Å²	47	61.9 Å²	61.9	22%	0.22	32%	0.317	C	S	.	.			trans	-120.8	23.3	-175.9	-68	-179	151.3	0	0	113	I286 C288 N289 S290 Y294	I286-E306 HydrophobicContact CG1-CB 4.36Å; I286-E306 PolarHBondContact O-N 2.9Å; C288-E306 PolarHBondContact N-OE2 3.32Å; C288-E306 VanDerWaalsContact N-OE2 3.11Å; N289-E306 WeakPolarHBondContact CA-OE2 3.46Å; N289-E306 HydrophobicContact CB-CB 4.46Å; N289-E306 PolarHBondContact N-OE2 3.13Å; S290-E306 WeakPolarHBondContact CB-OE1 3.46Å; S290-E306 PolarHBondContact N-OE2 3.15Å; S290-E306 PolarHBondContact OG-OE1 2.04Å; S290-E306 PolarHBondContact OG-OE2 3.23Å; Y294-E306 PolarHBondContact OH-OE1 2.78Å; Y294-E306 PolarHBondContact OH-OE2 3.37Å
307	G	97	Very high	84.9	Confident	21 Å²	21	57.3 Å²	57.3	22%	0.216	31%	0.306	C	S	.	.	S	Bend	trans	112	178.7	174.6	0	0	0	0	0	114.1	Q285 I286	Q285-G307 CarbonylContact C-O 3.49Å; Q285-G307 VanDerWaalsContact CA-O 3.25Å; Q285-G307 WeakPolarHBondContact CA-O 3.03Å; Q285-G307 PolarHBondContact OE1-O 3.42Å; I286-G307 PolarHBondContact N-O 3.36Å
308	P	97.3	Very high	83.1	Confident	44 Å²	44	58.8 Å²	58.8	29%	0.286	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-72.9	152.9	-175.4	30.6	-36.3	0	0	0	112.4	L274 R310	L274-P308 HydrophobicContact CD2-CB 4.11Å; L274-P308 HydrophobicContact CD2-CG 3.79Å; P308-R310 PolarHBondContact O-N 3.11Å
309	L	96.7	Very high	82.2	Confident	5 Å²	5	62.7 Å²	62.7	3%	0.026	34%	0.336	C	S	.	.			trans	-59.3	128.7	168.8	176	57.4	0	0	0	110.9	I275 W284 I286 T381 D391	I275-L309 HydrophobicContact CD1-CB 4.32Å; I275-L309 HydrophobicContact CD1-CD2 3.46Å; I275-L309 VanDerWaalsContact CD1-CD2 3.46Å; I275-L309 HydrophobicContact CD1-CG 3.77Å; W284-L309 PolarHBondContact O-N 3.24Å; I286-L309 HydrophobicContact CG2-CB 4.04Å; I286-L309 HydrophobicContact CG2-CD1 4.29Å; L309-T381 HydrophobicContact CD1-CG2 3.92Å; L309-D391 HydrophobicContact CD1-CB 3.81Å; L309-D391 HydrophobicContact CD2-CB 4.3Å
310	R	95.3	Very high	81.9	Confident	130 Å²	130	66.3 Å²	66.3	49%	0.491	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-112.5	130.8	179.7	-61.9	-168.1	-177.7	-148.2	0.1	111.9	S273 L274 P308 T381	S273-R310 CarbonylContact O-C 3.11Å; S273-R310 WeakPolarHBondContact O-CA 3.34Å; S273-R310 WeakPolarHBondContact O-CB 3.42Å; L274-R310 HydrophobicContact CD2-CG 4.23Å; P308-R310 PolarHBondContact O-N 3.11Å; R310-T381 PolarHBondContact N-OG1 3Å; R310-T381 VanDerWaalsContact N-OG1 3.12Å; R310-T381 PolarHBondContact O-N 3.38Å; R310-T381 PolarHBondContact O-OG1 2.91Å
311	R	92.2	Very high	81.8	Confident	11 Å²	11	66.2 Å²	66.2	4%	0.042	35%	0.351	C	S	.	.			trans	-139.6	135.5	174.1	-165.2	-174.8	-58.5	137.5	-1	107.8	C259 F264 G265 S273 L378 D391	C259-R311 WeakPolarHBondContact SG-CD 3.38Å; F264-R311 PolarHBondContact O-NH1 2.96Å; F264-R311 PolarHBondContact O-NH2 3.15Å; G265-R311 PolarHBondContact O-NH1 2.78Å; S273-R311 CarbonylContact C-O 3.26Å; S273-R311 VanDerWaalsContact CA-O 3.28Å; S273-R311 WeakPolarHBondContact CA-O 3.22Å; S273-R311 PolarHBondContact O-N 3.11Å; S273-R311 VanDerWaalsContact O-O 3.08Å; R311-L378 HydrophobicContact CG-CB 4.38Å; R311-L378 WeakPolarHBondContact CG-O 3.2Å; R311-D391 IonicContact CZ-OD1 2.75Å; R311-D391 IonicContact CZ-OD2 2.77Å; R311-D391 IonicContact NE-OD1 3.77Å; R311-D391 IonicContact NE-OD2 3.22Å; R311-D391 PolarHBondContact NE-OD2 3.19Å; R311-D391 VanDerWaalsContact NH2-CG 3.29Å; R311-D391 IonicContact NH2-OD1 2.77Å; R311-D391 PolarHBondContact NH2-OD1 2.68Å; R311-D391 IonicContact NH2-OD2 3.3Å; R311-D391 PolarHBondContact NH2-OD2 2.7Å
312	G	77.4	Confident	81.7	Confident	15 Å²	15	66.3 Å²	66.3	16%	0.155	35%	0.351	C	S	.	.			trans	-161.8	69	-170.1	0	0	0	0	0	111.7	L314 L378 N379	G312-L314 PolarHBondContact O-N 2.99Å; G312-L378 PolarHBondContact N-O 3.42Å; G312-L378 VanDerWaalsContact N-O 3.14Å; G312-N379 VanDerWaalsContact O-CB 3.28Å; G312-N379 WeakPolarHBondContact O-CB 3.44Å; G312-N379 PolarHBondContact O-ND2 3.32Å
313	P	60.7	Low	81.7	Confident	55 Å²	55	65.4 Å²	65.4	36%	0.357	35%	0.348	S	S	.	.			trans	-51.9	129.1	178.9	22.9	-33.8	0	0	0	109.2	R315	P313-R315 PolarHBondContact O-N 3.07Å
314	L	54.8	Low	81.8	Confident	76 Å²	76	68.8 Å²	68.8	40%	0.398	36%	0.362	S	S	.	.			trans	-59.9	101.1	-175.1	-77.8	152.3	0	0	0	109.5	G312 T316 S317	G312-L314 PolarHBondContact O-N 2.99Å; L314-T316 PolarHBondContact O-N 3.4Å; L314-S317 WeakPolarHBondContact CB-OG 3.28Å; L314-S317 PolarHBondContact O-N 2.87Å; L314-S317 PolarHBondContact O-OG 3Å
315	R	50.2	Low	81.8	Confident	228 Å²	228	69.1 Å²	69.1	86%	0.86	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-8.4	176	-78.6	179.1	61.9	-179.9	-1	114.5	P313	P313-R315 PolarHBondContact O-N 3.07Å
316	T	44.6	Very low	81.8	Confident	131 Å²	131	66.2 Å²	66.2	80%	0.804	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	-0.9	-176.1	52.8	0	0	0	0	114.1	L314	L314-T316 PolarHBondContact O-N 3.4Å
317	S	51.4	Low	81.8	Confident	39 Å²	39	64 Å²	64	27%	0.273	33%	0.333	S	S	.	.			trans	-90.4	122.7	175.7	77.7	0	0	0	0	110.6	L314 R319	L314-S317 WeakPolarHBondContact CB-OG 3.28Å; L314-S317 PolarHBondContact O-N 2.87Å; L314-S317 PolarHBondContact O-OG 3Å; S317-R319 PolarHBondContact O-N 2.85Å
318	S	58.6	Low	81.8	Confident	123 Å²	123	68 Å²	68	86%	0.86	34%	0.341	S	S	*	.			trans	-72.9	37.5	168.7	63.4	0	0	0	0	112.2
319	R	77.2	Confident	81.8	Confident	110 Å²	110	68.3 Å²	68.3	42%	0.415	34%	0.34	S	S	.	.			trans	-91.3	111.5	-178.8	-71.6	178.7	-177.8	-177.4	1.2	108.1	S317 S376 F377	S317-R319 PolarHBondContact O-N 2.85Å; R319-S376 PolarHBondContact NH1-OG 2.92Å; R319-S376 VanDerWaalsContact NH1-OG 3.09Å; R319-F377 VanDerWaalsContact O-CE2 3.32Å; R319-F377 WeakPolarHBondContact O-CE2 3.17Å
320	Q	90.7	Very high	81.8	Confident	100 Å²	100	68 Å²	68	47%	0.467	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-76.8	144.9	169.8	-160.4	172.2	14.1	0	0	108.5	G252 N254	G252-Q320 VanDerWaalsContact C-CG 3.47Å; G252-Q320 VanDerWaalsContact O-CG 3.25Å; G252-Q320 WeakPolarHBondContact O-CG 3.39Å; G252-Q320 PolarHBondContact O-NE2 3.37Å; N254-Q320 WeakPolarHBondContact OD1-CA 3.27Å; N254-Q320 WeakPolarHBondContact OD1-CB 3.36Å; N254-Q320 WeakPolarHBondContact OD1-CG 3.25Å
321	L	94.5	Very high	81.9	Confident	2 Å²	2	62 Å²	62	1%	0.01	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-59.7	158.6	162.4	-80.1	171.9	0	0	0	110.1	W247 K253 F377	W247-L321 HydrophobicContact CH2-CD1 4.49Å; W247-L321 HydrophobicContact CH2-CD2 4.25Å; W247-L321 HydrophobicContact CZ2-CD1 3.93Å; W247-L321 HydrophobicContact CZ2-CD2 4.43Å; K253-L321 WeakPolarHBondContact O-CB 3.28Å; K253-L321 PolarHBondContact O-N 3.4Å; L321-F377 HydrophobicContact CD1-CD1 4.26Å; L321-F377 HydrophobicContact CD1-CE1 4Å; L321-F377 HydrophobicContact CD1-CZ 4.37Å; L321-F377 HydrophobicContact CD2-CB 3.84Å; L321-F377 HydrophobicContact CD2-CD1 3.57Å; L321-F377 HydrophobicContact CD2-CD2 4.13Å; L321-F377 HydrophobicContact CD2-CE1 4.13Å; L321-F377 HydrophobicContact CD2-CG 3.57Å; L321-F377 HydrophobicContact CG-CD1 3.86Å; L321-F377 HydrophobicContact CG-CD2 4.09Å; L321-F377 HydrophobicContact CG-CE1 3.9Å; L321-F377 HydrophobicContact CG-CE2 4.15Å; L321-F377 HydrophobicContact CG-CG 3.95Å; L321-F377 HydrophobicContact CG-CZ 4.07Å
322	P	96.4	Very high	82.1	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.013	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-53	159.5	174.9	-22.3	31.5	0	0	0	112.6	F249 A250 T251 G252 L370 L373	F249-P322 HydrophobicContact CD2-CB 4.25Å; F249-P322 HydrophobicContact CD2-CG 3.8Å; F249-P322 HydrophobicContact CE2-CB 4.47Å; F249-P322 HydrophobicContact CE2-CG 4.06Å; A250-P322 CarbonylContact C-O 3.54Å; A250-P322 WeakPolarHBondContact CA-O 3.42Å; T251-P322 PolarHBondContact N-O 3.22Å; G252-P322 PolarHBondContact N-O 3.19Å; P322-L370 HydrophobicContact CB-CD2 3.99Å; P322-L373 HydrophobicContact CG-CB 4.37Å; P322-L373 HydrophobicContact CG-CD2 4.08Å; P322-L373 HydrophobicContact CG-CG 4.36Å
323	T	96.4	Very high	83	Confident	39 Å²	39	65 Å²	65	24%	0.239	34%	0.336	C	S	.	.			trans	-108.8	162.4	179.5	68.2	0	0	0	0	111.3	A250 E325 D326 I327	A250-T323 CarbonylContact O-C 3.33Å; T323-E325 PolarHBondContact O-N 3.47Å; T323-E325 PolarHBondContact OG1-N 2.9Å; T323-D326 WeakPolarHBondContact CB-OD2 3.23Å; T323-D326 PolarHBondContact N-OD2 3.38Å; T323-D326 WeakPolarHBondContact O-CB 3.34Å; T323-D326 PolarHBondContact O-N 3.09Å; T323-D326 VanDerWaalsContact O-N 3.08Å; T323-D326 PolarHBondContact OG1-N 3.29Å; T323-D326 PolarHBondContact OG1-OD2 2.87Å; T323-I327 PolarHBondContact O-N 2.92Å
324	L	95.6	Very high	84.7	Confident	85 Å²	85	69 Å²	69	45%	0.445	35%	0.35	S	S	.	.	H	α-helix	trans	-61.3	-25.5	172.4	-170	63.2	0	0	0	112.6	A250 I327 R328 P462	A250-L324 PolarHBondContact O-N 3.48Å; L324-I327 WeakPolarHBondContact O-CB 3.4Å; L324-I327 PolarHBondContact O-N 3.47Å; L324-R328 PolarHBondContact O-N 2.84Å; L324-P462 HydrophobicContact CD1-CG 3.49Å; L324-P462 VanDerWaalsContact CD1-CG 3.49Å; L324-P462 HydrophobicContact CD2-CG 4.19Å; L324-P462 HydrophobicContact CG-CG 3.62Å
325	E	95.9	Very high	86.6	Confident	84 Å²	84	70.8 Å²	70.8	39%	0.393	36%	0.356	S	S	.	.	H	α-helix	trans	-71.9	-34.9	174.7	-172.5	53.9	-150.2	0	0	111.6	T323 I327 R328 N329	T323-E325 PolarHBondContact O-N 3.47Å; T323-E325 PolarHBondContact OG1-N 2.9Å; E325-I327 VanDerWaalsContact C-N 3.27Å; E325-I327 PolarHBondContact O-N 3.46Å; E325-R328 PolarHBondContact O-N 3.38Å; E325-R328 IonicContact OE2-CZ 3.74Å; E325-R328 IonicContact OE2-NH1 2.7Å; E325-R328 PolarHBondContact OE2-NH1 3.04Å; E325-N329 PolarHBondContact O-N 3.03Å; E325-N329 PolarHBondContact O-ND2 3.27Å; E325-N329 PolarHBondContact OE1-ND2 3.28Å
326	D	97.2	Very high	88.9	Confident	44 Å²	44	60 Å²	60	24%	0.235	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-38.1	171.5	-58.5	-47.6	0	0	0	111.1	T323 N329 C330 P359 L370	T323-D326 WeakPolarHBondContact CB-OD2 3.23Å; T323-D326 PolarHBondContact N-OD2 3.38Å; T323-D326 WeakPolarHBondContact O-CB 3.34Å; T323-D326 PolarHBondContact O-N 3.09Å; T323-D326 VanDerWaalsContact O-N 3.08Å; T323-D326 PolarHBondContact OG1-N 3.29Å; T323-D326 PolarHBondContact OG1-OD2 2.87Å; D326-N329 PolarHBondContact O-N 3.2Å; D326-C330 WeakPolarHBondContact O-CB 3.43Å; D326-C330 PolarHBondContact O-N 3.39Å; D326-P359 HydrophobicContact CB-CB 3.89Å; D326-P359 HydrophobicContact CB-CG 3.59Å; D326-P359 VanDerWaalsContact O-CB 3.27Å; D326-P359 WeakPolarHBondContact O-CB 3.45Å; D326-P359 WeakPolarHBondContact OD1-CG 3.24Å; D326-L370 HydrophobicContact CB-CD2 3.92Å
327	I	97.9	Very high	91.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.6	-44.6	174.2	-56.4	-68.5	0	0	0	111.4	A250 T323 L324 E325 N329 C330 L331 L370 F400 I404 L461	A250-I327 HydrophobicContact CB-CD1 3.87Å; A250-I327 HydrophobicContact CB-CG1 3.39Å; T323-I327 PolarHBondContact O-N 2.92Å; L324-I327 WeakPolarHBondContact O-CB 3.4Å; L324-I327 PolarHBondContact O-N 3.47Å; E325-I327 VanDerWaalsContact C-N 3.27Å; E325-I327 PolarHBondContact O-N 3.46Å; I327-N329 PolarHBondContact O-N 2.64Å; I327-C330 PolarHBondContact O-N 2.94Å; I327-L331 HydrophobicContact CG2-CD1 3.77Å; I327-L331 HydrophobicContact CG2-CG 4.38Å; I327-L331 WeakPolarHBondContact O-CB 3.07Å; I327-L331 WeakPolarHBondContact O-CG 3.43Å; I327-L331 PolarHBondContact O-N 3.39Å; I327-L370 HydrophobicContact CD1-CD2 3.61Å; I327-L370 HydrophobicContact CG1-CD2 4.42Å; I327-F400 HydrophobicContact CD1-CE1 4.16Å; I327-F400 HydrophobicContact CD1-CZ 4.19Å; I327-I404 HydrophobicContact CD1-CD1 3.5Å; I327-I404 HydrophobicContact CD1-CG1 4.16Å; I327-L461 HydrophobicContact CG2-CD2 4.17Å
328	R	96.9	Very high	93.5	Very high	104 Å²	104	53.1 Å²	53.1	39%	0.392	27%	0.272	S	S	.	.	H	α-helix	trans	-57.9	-48.2	175.4	176.7	-178.8	-80.5	120.1	-5	111.3	L324 E325 L331 S332 P462	L324-R328 PolarHBondContact O-N 2.84Å; E325-R328 PolarHBondContact O-N 3.38Å; E325-R328 IonicContact OE2-CZ 3.74Å; E325-R328 IonicContact OE2-NH1 2.7Å; E325-R328 PolarHBondContact OE2-NH1 3.04Å; R328-L331 PolarHBondContact O-N 3.39Å; R328-S332 PolarHBondContact O-N 2.99Å; R328-S332 VanDerWaalsContact O-N 3.15Å; R328-P462 HydrophobicContact CB-CB 3.97Å; R328-P462 HydrophobicContact CB-CG 4.41Å; R328-P462 HydrophobicContact CG-CB 4.37Å
329	N	96.9	Very high	95.2	Very high	51 Å²	51	51.9 Å²	51.9	27%	0.273	26%	0.261	S	S	.	.	H	α-helix	trans	-63.5	-42.6	179.8	-75	-63.5	0	0	0	111.8	E325 D326 I327 S332 P359	E325-N329 PolarHBondContact O-N 3.03Å; E325-N329 PolarHBondContact O-ND2 3.27Å; E325-N329 PolarHBondContact OE1-ND2 3.28Å; D326-N329 PolarHBondContact O-N 3.2Å; I327-N329 PolarHBondContact O-N 2.64Å; N329-S332 WeakPolarHBondContact O-CB 3.22Å; N329-S332 PolarHBondContact O-N 2.77Å; N329-S332 VanDerWaalsContact O-N 3.16Å; N329-S332 PolarHBondContact O-OG 3.4Å; N329-P359 CarbonylContact C-O 3.29Å; N329-P359 VanDerWaalsContact C-O 3.25Å; N329-P359 HydrophobicContact CB-CB 4.15Å
330	C	97.6	Very high	96.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-46.1	175.7	-175	0	0	0	0	111.9	D326 I327 S332 L333 F349 P359 L370	D326-C330 WeakPolarHBondContact O-CB 3.43Å; D326-C330 PolarHBondContact O-N 3.39Å; I327-C330 PolarHBondContact O-N 2.94Å; C330-S332 PolarHBondContact O-N 2.76Å; C330-S332 VanDerWaalsContact O-N 3.15Å; C330-L333 WeakPolarHBondContact O-CB 3.4Å; C330-L333 PolarHBondContact O-N 2.93Å; C330-L333 VanDerWaalsContact O-N 3.13Å; C330-F349 WeakPolarHBondContact O-CD2 3.47Å; C330-P359 VanDerWaalsContact CA-O 3.22Å; C330-P359 WeakPolarHBondContact CA-O 3.48Å; C330-P359 PolarHBondContact N-O 3.03Å; C330-P359 VanDerWaalsContact N-O 3.14Å; C330-L370 HydrophobicContact CB-CD1 3.62Å
331	L	97.7	Very high	96.4	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-4.8	177.4	-70.2	171.7	0	0	0	114.4	I327 R328 F349 I404 E407 W408 L461	I327-L331 HydrophobicContact CG2-CD1 3.77Å; I327-L331 HydrophobicContact CG2-CG 4.38Å; I327-L331 WeakPolarHBondContact O-CB 3.07Å; I327-L331 WeakPolarHBondContact O-CG 3.43Å; I327-L331 PolarHBondContact O-N 3.39Å; R328-L331 PolarHBondContact O-N 3.39Å; L331-F349 HydrophobicContact CD2-CE2 4.23Å; L331-I404 HydrophobicContact CD2-CG2 3.84Å; L331-I404 WeakPolarHBondContact CD2-O 3.32Å; L331-I404 HydrophobicContact CG-CG2 4.12Å; L331-E407 HydrophobicContact CD1-CG 3.96Å; L331-E407 HydrophobicContact CD2-CB 4.21Å; L331-E407 HydrophobicContact CD2-CG 4.05Å; L331-W408 HydrophobicContact CD2-CB 3.96Å; L331-L461 HydrophobicContact CD1-CB 4.16Å; L331-L461 HydrophobicContact CD1-CD1 4.38Å
332	S	96.4	Very high	96.5	Very high	77 Å²	77	47.5 Å²	47.5	54%	0.538	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-12.4	171.2	79.6	0	0	0	0	113.5	R328 N329 C330 Q334	R328-S332 PolarHBondContact O-N 2.99Å; R328-S332 VanDerWaalsContact O-N 3.15Å; N329-S332 WeakPolarHBondContact O-CB 3.22Å; N329-S332 PolarHBondContact O-N 2.77Å; N329-S332 VanDerWaalsContact O-N 3.16Å; N329-S332 PolarHBondContact O-OG 3.4Å; C330-S332 PolarHBondContact O-N 2.76Å; C330-S332 VanDerWaalsContact O-N 3.15Å; S332-Q334 PolarHBondContact O-N 3.16Å
333	L	96.3	Very high	96.4	Very high	14 Å²	14	53.8 Å²	53.8	7%	0.073	27%	0.273	C	S	.	.			trans	-78.4	108.9	-177.7	-65.2	170.6	0	0	0	110.3	C330 F349 A352 W408	C330-L333 WeakPolarHBondContact O-CB 3.4Å; C330-L333 PolarHBondContact O-N 2.93Å; C330-L333 VanDerWaalsContact O-N 3.13Å; L333-F349 HydrophobicContact CB-CB 4.02Å; L333-A352 HydrophobicContact CD1-CB 3.42Å; L333-A352 VanDerWaalsContact CD1-CB 3.42Å; L333-W408 PolarHBondContact O-NE1 3.25Å
334	Q	95	Very high	96.3	Very high	137 Å²	137	55.9 Å²	55.9	64%	0.64	28%	0.282	S	S	*	.			trans	-72	-34.1	-178.5	180	170.7	11.5	0	0	113.5	S332 F412	S332-Q334 PolarHBondContact O-N 3.16Å; Q334-F412 HydrophobicContact CB-CD1 4.16Å; Q334-F412 HydrophobicContact CB-CE1 3.78Å; Q334-F412 HydrophobicContact CB-CZ 4.25Å; Q334-F412 HydrophobicContact CG-CD1 3.8Å; Q334-F412 HydrophobicContact CG-CE1 3.87Å
335	E	95.9	Very high	96.3	Very high	114 Å²	114	51.9 Å²	51.9	53%	0.533	26%	0.261	S	S	.	.			trans	-81	124.5	-179.1	-63.8	-60.5	155.7	0	0	110.8	F349	E335-F349 VanDerWaalsContact O-CB 3.31Å; E335-F349 WeakPolarHBondContact O-CB 3.38Å; E335-F349 PolarHBondContact O-N 2.86Å
336	F	97.5	Very high	96.3	Very high	1 Å²	1	50 Å²	50	0%	0.004	26%	0.258	C	S	.	.	S	Bend	trans	-57	-55.1	178.9	175.3	-115.9	0	0	0	111.4	P216 V219 F349 R350 F405 W408 A418 W419 F447	P216-F336 HydrophobicContact CB-CE1 4.13Å; V219-F336 HydrophobicContact CG2-CE2 3.8Å; V219-F336 HydrophobicContact CG2-CZ 3.75Å; F336-F349 HydrophobicContact CD2-CD1 4.2Å; F336-F349 HydrophobicContact CE2-CD1 4.44Å; F336-F349 PolarHBondContact O-N 3.21Å; F336-R350 HydrophobicContact CE2-CB 4.07Å; F336-R350 HydrophobicContact CE2-CG 4.46Å; F336-R350 HydrophobicContact CZ-CB 4.07Å; F336-R350 HydrophobicContact CZ-CG 4.09Å; F336-R350 WeakPolarHBondContact O-CB 3.46Å; F336-R350 PolarHBondContact O-N 3.35Å; F336-F405 HydrophobicContact CE2-CE2 4.15Å; F336-W408 HydrophobicContact CB-CH2 3.49Å; F336-W408 VanDerWaalsContact CB-CH2 3.49Å; F336-W408 HydrophobicContact CB-CZ2 3.8Å; F336-W408 HydrophobicContact CB-CZ3 4.27Å; F336-W408 HydrophobicContact CD2-CE3 4.31Å; F336-W408 AromaticContact CD2-CH2 3.8Å; F336-W408 HydrophobicContact CD2-CH2 3.8Å; F336-W408 HydrophobicContact CD2-CZ2 4.36Å; F336-W408 AromaticContact CD2-CZ3 3.72Å; F336-W408 HydrophobicContact CD2-CZ3 3.72Å; F336-W408 HydrophobicContact CG-CH2 4.02Å; F336-W408 HydrophobicContact CG-CZ3 4.33Å; F336-A418 HydrophobicContact CB-CB 4.25Å; F336-W419 HydrophobicContact CD1-CD2 4.47Å; F336-W419 AromaticContact CD1-CE3 3.93Å; F336-W419 HydrophobicContact CD1-CE3 3.93Å; F336-W419 HydrophobicContact CD1-CZ3 4.44Å; F336-W419 AromaticContact CE1-CD2 3.83Å; F336-W419 HydrophobicContact CE1-CD2 3.83Å; F336-W419 AromaticContact CE1-CE3 3.21Å; F336-W419 HydrophobicContact CE1-CE3 3.21Å; F336-W419 HydrophobicContact CE1-CH2 4.15Å; F336-W419 AromaticContact CE1-CZ3 3.38Å; F336-W419 HydrophobicContact CE1-CZ3 3.38Å; F336-W419 HydrophobicContact CE2-CZ3 4.36Å; F336-W419 AromaticContact CZ-CE3 3.67Å; F336-W419 HydrophobicContact CZ-CE3 3.67Å; F336-W419 HydrophobicContact CZ-CH2 4.07Å; F336-W419 AromaticContact CZ-CZ3 3.33Å; F336-W419 HydrophobicContact CZ-CZ3 3.33Å; F336-F447 HydrophobicContact CD1-CE2 4.23Å; F336-F447 HydrophobicContact CD1-CZ 4.19Å; F336-F447 AromaticContact CD2-CE2 3.82Å; F336-F447 HydrophobicContact CD2-CE2 3.82Å; F336-F447 AromaticContact CD2-CZ 3.94Å; F336-F447 HydrophobicContact CD2-CZ 3.94Å; F336-F447 HydrophobicContact CE1-CE2 4.11Å; F336-F447 AromaticContact CE2-CE2 3.7Å; F336-F447 HydrophobicContact CE2-CE2 3.7Å; F336-F447 HydrophobicContact CE2-CZ 4.3Å; F336-F447 HydrophobicContact CG-CE2 4.1Å; F336-F447 AromaticContact CG-CZ 3.91Å; F336-F447 HydrophobicContact CG-CZ 3.91Å; F336-F447 AromaticContact CZ-CE2 3.85Å; F336-F447 HydrophobicContact CZ-CE2 3.85Å
337	D	97.4	Very high	96.2	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.043	27%	0.272	C	S	.	.			trans	-149.8	164.2	174.3	-154.4	-7.8	0	0	0	109.6	P216 F341 S345 S348 R350	P216-D337 VanDerWaalsContact CD-OD2 3.25Å; P216-D337 WeakPolarHBondContact CD-OD2 3.37Å; P216-D337 WeakPolarHBondContact CG-OD2 3.47Å; D337-F341 HydrophobicContact CB-CD1 4.1Å; D337-S345 WeakPolarHBondContact OD1-CB 3.17Å; D337-S345 PolarHBondContact OD1-OG 3.37Å; D337-S348 WeakPolarHBondContact CA-OG 3.31Å; D337-S348 VanDerWaalsContact OD1-CB 3.24Å; D337-S348 WeakPolarHBondContact OD1-CB 3.48Å; D337-S348 PolarHBondContact OD1-OG 3.34Å; D337-R350 HydrophobicContact CB-CB 4.29Å; D337-R350 VanDerWaalsContact CG-NH2 3.29Å; D337-R350 IonicContact OD1-CZ 2.77Å; D337-R350 IonicContact OD1-NE 3.43Å; D337-R350 IonicContact OD1-NH2 3.72Å; D337-R350 PolarHBondContact OD1-NH2 2.88Å; D337-R350 IonicContact OD2-CZ 2.79Å; D337-R350 VanDerWaalsContact OD2-CZ 3.22Å; D337-R350 IonicContact OD2-NE 2.84Å; D337-R350 PolarHBondContact OD2-NE 3.05Å; D337-R350 IonicContact OD2-NH2 3.99Å; D337-R350 PolarHBondContact OD2-NH2 2.96Å
338	S	95.2	Very high	96.2	Very high	18 Å²	18	53.8 Å²	53.8	13%	0.126	27%	0.272	C	S	.	.			trans	-134.2	152.2	-177.3	63.1	0	0	0	0	110.9	F341 S345 S346	S338-F341 WeakPolarHBondContact O-CA 3.26Å; S338-F341 WeakPolarHBondContact O-CD1 3.41Å; S338-F341 PolarHBondContact O-N 3.25Å; S338-S345 VanDerWaalsContact O-CB 3.27Å; S338-S345 WeakPolarHBondContact O-CB 3.21Å; S338-S345 PolarHBondContact O-OG 2.86Å; S338-S345 WeakPolarHBondContact OG-CB 3.37Å; S338-S346 PolarHBondContact OG-N 2.71Å; S338-S346 PolarHBondContact OG-O 3.05Å
339	P	95.3	Very high	96.2	Very high	98 Å²	98	48.8 Å²	48.8	64%	0.636	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	138.3	173.5	-26.8	34.5	0	0	0	111.7	F341	P339-F341 HydrophobicContact CB-CE2 4.31Å; P339-F341 HydrophobicContact CB-CZ 4.43Å; P339-F341 HydrophobicContact CG-CE1 4.29Å; P339-F341 HydrophobicContact CG-CE2 3.98Å; P339-F341 HydrophobicContact CG-CZ 3.7Å
340	P	95.8	Very high	96.3	Very high	54 Å²	54	46.4 Å²	46.4	35%	0.351	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91.3	26.2	11	38.8	-37.7	0	0	0	114.3	F342 N344	P340-F342 HydrophobicContact CG-CB 4.22Å; P340-F342 PolarHBondContact O-N 2.73Å; P340-N344 VanDerWaalsContact CG-OD1 3.3Å; P340-N344 WeakPolarHBondContact CG-OD1 3.49Å
341	F	96.9	Very high	96.3	Very high	34 Å²	34	46.4 Å²	46.4	15%	0.149	24%	0.241	C	C	.	.			trans	56.3	36.7	-179.7	-49.8	-67.4	0	0	0	113.1	G215 P216 D337 S338 P339 S345 P420 A424 P425	G215-F341 WeakPolarHBondContact CA-O 3.49Å; P216-F341 VanDerWaalsContact CD-O 3.3Å; P216-F341 WeakPolarHBondContact CD-O 3.47Å; P216-F341 HydrophobicContact CG-CB 3.88Å; P216-F341 HydrophobicContact CG-CD1 4.4Å; P216-F341 HydrophobicContact CG-CG 4.43Å; D337-F341 HydrophobicContact CB-CD1 4.1Å; S338-F341 WeakPolarHBondContact O-CA 3.26Å; S338-F341 WeakPolarHBondContact O-CD1 3.41Å; S338-F341 PolarHBondContact O-N 3.25Å; P339-F341 HydrophobicContact CB-CE2 4.31Å; P339-F341 HydrophobicContact CB-CZ 4.43Å; P339-F341 HydrophobicContact CG-CE1 4.29Å; P339-F341 HydrophobicContact CG-CE2 3.98Å; P339-F341 HydrophobicContact CG-CZ 3.7Å; F341-S345 WeakPolarHBondContact CA-OG 3.39Å; F341-S345 PolarHBondContact N-OG 3.03Å; F341-S345 VanDerWaalsContact N-OG 3.13Å; F341-P420 HydrophobicContact CB-CG 4.42Å; F341-P420 HydrophobicContact CD1-CB 4.31Å; F341-P420 HydrophobicContact CD1-CG 3.77Å; F341-P420 HydrophobicContact CD2-CB 3.95Å; F341-P420 HydrophobicContact CD2-CG 4.04Å; F341-P420 HydrophobicContact CE1-CB 4.11Å; F341-P420 HydrophobicContact CE1-CG 3.95Å; F341-P420 HydrophobicContact CE2-CB 3.73Å; F341-P420 HydrophobicContact CE2-CG 4.21Å; F341-P420 HydrophobicContact CG-CB 4.24Å; F341-P420 HydrophobicContact CG-CG 3.81Å; F341-P420 HydrophobicContact CZ-CB 3.81Å; F341-P420 HydrophobicContact CZ-CG 4.16Å; F341-A424 HydrophobicContact CB-CB 4.3Å; F341-P425 WeakPolarHBondContact O-CD 3.44Å; F341-P425 VanDerWaalsContact O-CG 3.3Å; F341-P425 WeakPolarHBondContact O-CG 3.49Å
342	F	96.2	Very high	96.3	Very high	32 Å²	32	46.3 Å²	46.3	14%	0.14	24%	0.24	C	C	.	.	S	Bend	trans	-131.8	-173.3	-173.9	-162.9	-123.3	0	0	0	111.1	P76 Q214 P340 N344 S345 R350 N351 P425	P76-F342 HydrophobicContact CG-CE2 4.48Å; P76-F342 HydrophobicContact CG-CZ 4.04Å; Q214-F342 HydrophobicContact CB-CD2 4.1Å; Q214-F342 HydrophobicContact CB-CE2 3.69Å; Q214-F342 HydrophobicContact CB-CZ 4.33Å; Q214-F342 CarbonylContact O-C 3.25Å; Q214-F342 WeakPolarHBondContact O-CA 3.49Å; Q214-F342 WeakPolarHBondContact O-CD2 3.4Å; P340-F342 HydrophobicContact CG-CB 4.22Å; P340-F342 PolarHBondContact O-N 2.73Å; F342-N344 PolarHBondContact O-N 2.77Å; F342-S345 PolarHBondContact N-OG 2.84Å; F342-S345 WeakPolarHBondContact O-CB 3.35Å; F342-S345 PolarHBondContact O-N 3.47Å; F342-S345 VanDerWaalsContact O-N 3.1Å; F342-S345 PolarHBondContact O-OG 2.64Å; F342-S345 VanDerWaalsContact O-OG 3.1Å; F342-R350 PolarHBondContact O-NH2 3.1Å; F342-N351 PolarHBondContact O-OD1 3.06Å; F342-P425 HydrophobicContact CB-CG 4.45Å; F342-P425 HydrophobicContact CD2-CB 4.43Å; F342-P425 HydrophobicContact CD2-CG 3.64Å; F342-P425 HydrophobicContact CE2-CG 4.42Å; F342-P425 HydrophobicContact CG-CG 4.48Å
343	R	94.4	Very high	96.4	Very high	134 Å²	134	42.6 Å²	42.6	51%	0.506	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.7	177.9	76	-165.8	-176.6	-169	3.5	115.4	Q214 N351 F356	Q214-R343 HydrophobicContact CB-CB 4.47Å; Q214-R343 HydrophobicContact CG-CB 4.47Å; R343-N351 VanDerWaalsContact CA-OD1 3.29Å; R343-N351 WeakPolarHBondContact CA-OD1 3.32Å; R343-N351 PolarHBondContact O-ND2 2.9Å; R343-N351 PolarHBondContact O-OD1 3.27Å; R343-F356 HydrophobicContact CB-CB 4.25Å; R343-F356 HydrophobicContact CB-CD1 4.02Å; R343-F356 HydrophobicContact CB-CD2 3.92Å; R343-F356 HydrophobicContact CB-CE1 4.36Å; R343-F356 HydrophobicContact CB-CE2 4.26Å; R343-F356 HydrophobicContact CB-CG 3.8Å; R343-F356 HydrophobicContact CB-CZ 4.48Å; R343-F356 WeakPolarHBondContact O-CB 3.04Å
344	N	94.6	Very high	96.5	Very high	83 Å²	83	42 Å²	42	44%	0.444	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	18.5	178.2	68.5	-44	0	0	0	114	P340 F342 L363	P340-N344 VanDerWaalsContact CG-OD1 3.3Å; P340-N344 WeakPolarHBondContact CG-OD1 3.49Å; F342-N344 PolarHBondContact O-N 2.77Å; N344-L363 HydrophobicContact CB-CD2 4.29Å; N344-L363 VanDerWaalsContact O-CD2 3.32Å; N344-L363 WeakPolarHBondContact O-CD2 3.36Å
345	S	95.1	Very high	96.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.			trans	-70	121.4	170.7	-67.6	0	0	0	0	111.2	D337 S338 F341 F342 N351 N357	D337-S345 WeakPolarHBondContact OD1-CB 3.17Å; D337-S345 PolarHBondContact OD1-OG 3.37Å; S338-S345 VanDerWaalsContact O-CB 3.27Å; S338-S345 WeakPolarHBondContact O-CB 3.21Å; S338-S345 PolarHBondContact O-OG 2.86Å; S338-S345 WeakPolarHBondContact OG-CB 3.37Å; F341-S345 WeakPolarHBondContact CA-OG 3.39Å; F341-S345 PolarHBondContact N-OG 3.03Å; F341-S345 VanDerWaalsContact N-OG 3.13Å; F342-S345 PolarHBondContact N-OG 2.84Å; F342-S345 WeakPolarHBondContact O-CB 3.35Å; F342-S345 PolarHBondContact O-N 3.47Å; F342-S345 VanDerWaalsContact O-N 3.1Å; F342-S345 PolarHBondContact O-OG 2.64Å; F342-S345 VanDerWaalsContact O-OG 3.1Å; S345-N351 PolarHBondContact O-ND2 2.82Å; S345-N357 PolarHBondContact O-ND2 3.43Å
346	S	95.3	Very high	96.6	Very high	46 Å²	46	32.3 Å²	32.3	32%	0.322	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	146.8	176.4	54.8	0	0	0	0	112.5	S338 S348	S338-S346 PolarHBondContact OG-N 2.71Å; S338-S346 PolarHBondContact OG-O 3.05Å; S346-S348 PolarHBondContact O-N 2.87Å; S346-S348 VanDerWaalsContact O-N 3.14Å
347	F	95.9	Very high	96.4	Very high	122 Å²	122	32.2 Å²	32.2	54%	0.535	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	28.8	177.8	-54.7	-72.6	0	0	0	113.7	G361 T362	F347-G361 PolarHBondContact N-O 2.76Å; F347-T362 HydrophobicContact CE1-CG2 4.03Å; F347-T362 HydrophobicContact CZ-CG2 4.26Å
348	S	96.9	Very high	96.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.			trans	-97.4	121.8	177.9	154.4	0	0	0	0	109.1	D337 S346 R350 N351 A352	D337-S348 WeakPolarHBondContact CA-OG 3.31Å; D337-S348 VanDerWaalsContact OD1-CB 3.24Å; D337-S348 WeakPolarHBondContact OD1-CB 3.48Å; D337-S348 PolarHBondContact OD1-OG 3.34Å; S346-S348 PolarHBondContact O-N 2.87Å; S346-S348 VanDerWaalsContact O-N 3.14Å; S348-R350 VanDerWaalsContact C-N 3.34Å; S348-R350 PolarHBondContact O-N 3.23Å; S348-N351 PolarHBondContact O-N 3.14Å; S348-N351 VanDerWaalsContact OG-CB 3.28Å; S348-N351 WeakPolarHBondContact OG-CB 3.19Å; S348-N351 PolarHBondContact OG-N 2.94Å; S348-A352 WeakPolarHBondContact O-CB 3.22Å; S348-A352 PolarHBondContact O-N 3.19Å
349	F	98.1	Very high	96.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-55.7	-49.2	174.3	168	-101.8	0	0	0	111	C330 L331 L333 E335 F336 N351 A352 L353 I404 F405 W408	C330-F349 WeakPolarHBondContact O-CD2 3.47Å; L331-F349 HydrophobicContact CD2-CE2 4.23Å; L333-F349 HydrophobicContact CB-CB 4.02Å; E335-F349 VanDerWaalsContact O-CB 3.31Å; E335-F349 WeakPolarHBondContact O-CB 3.38Å; E335-F349 PolarHBondContact O-N 2.86Å; F336-F349 HydrophobicContact CD2-CD1 4.2Å; F336-F349 HydrophobicContact CE2-CD1 4.44Å; F336-F349 PolarHBondContact O-N 3.21Å; F349-N351 PolarHBondContact O-N 2.93Å; F349-A352 PolarHBondContact O-N 3.25Å; F349-L353 HydrophobicContact CE1-CD2 3.86Å; F349-L353 HydrophobicContact CE2-CB 4.47Å; F349-L353 HydrophobicContact CE2-CD2 4.48Å; F349-L353 HydrophobicContact CZ-CB 4.33Å; F349-L353 HydrophobicContact CZ-CD2 3.64Å; F349-L353 WeakPolarHBondContact O-CB 3.35Å; F349-L353 PolarHBondContact O-N 2.03Å; F349-I404 HydrophobicContact CE2-CG2 4.29Å; F349-I404 HydrophobicContact CZ-CG2 4.27Å; F349-F405 HydrophobicContact CE1-CB 4.48Å; F349-F405 HydrophobicContact CE1-CD2 4.01Å; F349-W408 HydrophobicContact CD1-CB 4.38Å; F349-W408 AromaticContact CD1-CD1 3.88Å; F349-W408 AromaticContact CD1-CD2 3.71Å; F349-W408 HydrophobicContact CD1-CD2 3.71Å; F349-W408 HydrophobicContact CD1-CE3 4.19Å; F349-W408 AromaticContact CD1-CG 3.73Å; F349-W408 HydrophobicContact CD1-CG 3.73Å; F349-W408 HydrophobicContact CD2-CB 4.27Å; F349-W408 AromaticContact CD2-CD1 3.29Å; F349-W408 HydrophobicContact CD2-CD2 4.49Å; F349-W408 AromaticContact CD2-CG 3.77Å; F349-W408 HydrophobicContact CD2-CG 3.77Å; F349-W408 AromaticContact CD2-NE1 3.83Å; F349-W408 HydrophobicContact CE1-CB 3.81Å; F349-W408 AromaticContact CE1-CD2 3.89Å; F349-W408 HydrophobicContact CE1-CD2 3.89Å; F349-W408 HydrophobicContact CE1-CE3 4.22Å; F349-W408 AromaticContact CE1-CG 3.66Å; F349-W408 HydrophobicContact CE1-CG 3.66Å; F349-W408 HydrophobicContact CE2-CB 3.66Å; F349-W408 AromaticContact CE2-CD1 3.59Å; F349-W408 AromaticContact CE2-CG 3.68Å; F349-W408 HydrophobicContact CE2-CG 3.68Å; F349-W408 AromaticContact CG-CD1 3.44Å; F349-W408 VanDerWaalsContact CG-CD1 3.44Å; F349-W408 HydrophobicContact CG-CD2 4.03Å; F349-W408 AromaticContact CG-CE2 3.99Å; F349-W408 AromaticContact CG-CG 3.78Å; F349-W408 HydrophobicContact CG-CG 3.78Å; F349-W408 AromaticContact CG-NE1 3.54Å; F349-W408 HydrophobicContact CZ-CB 3.39Å; F349-W408 HydrophobicContact CZ-CD2 4.34Å; F349-W408 AromaticContact CZ-CG 3.61Å; F349-W408 HydrophobicContact CZ-CG 3.61Å
350	R	98.1	Very high	96.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-55.5	-48.8	178.5	-174	-77.5	-55.4	151.4	11.1	111.2	G215 F218 F336 D337 F342 S348 A352 L353 E354	G215-R350 WeakPolarHBondContact O-CD 3.28Å; F218-R350 HydrophobicContact CB-CG 4.41Å; F336-R350 HydrophobicContact CE2-CB 4.07Å; F336-R350 HydrophobicContact CE2-CG 4.46Å; F336-R350 HydrophobicContact CZ-CB 4.07Å; F336-R350 HydrophobicContact CZ-CG 4.09Å; F336-R350 WeakPolarHBondContact O-CB 3.46Å; F336-R350 PolarHBondContact O-N 3.35Å; D337-R350 HydrophobicContact CB-CB 4.29Å; D337-R350 VanDerWaalsContact CG-NH2 3.29Å; D337-R350 IonicContact OD1-CZ 2.77Å; D337-R350 IonicContact OD1-NE 3.43Å; D337-R350 IonicContact OD1-NH2 3.72Å; D337-R350 PolarHBondContact OD1-NH2 2.88Å; D337-R350 IonicContact OD2-CZ 2.79Å; D337-R350 VanDerWaalsContact OD2-CZ 3.22Å; D337-R350 IonicContact OD2-NE 2.84Å; D337-R350 PolarHBondContact OD2-NE 3.05Å; D337-R350 IonicContact OD2-NH2 3.99Å; D337-R350 PolarHBondContact OD2-NH2 2.96Å; F342-R350 PolarHBondContact O-NH2 3.1Å; S348-R350 VanDerWaalsContact C-N 3.34Å; S348-R350 PolarHBondContact O-N 3.23Å; R350-A352 PolarHBondContact O-N 3.2Å; R350-L353 PolarHBondContact O-N 3.47Å; R350-E354 IonicContact CZ-OE2 3.61Å; R350-E354 IonicContact NH1-OE2 2.68Å; R350-E354 PolarHBondContact NH1-OE2 3.12Å; R350-E354 WeakPolarHBondContact O-CB 3.32Å; R350-E354 PolarHBondContact O-N 3.22Å
351	N	97.6	Very high	96.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-72.3	-28.3	-176.9	-156.8	50.3	0	0	0	113.3	F342 R343 S345 S348 F349 G355 F356 N357	F342-N351 PolarHBondContact O-OD1 3.06Å; R343-N351 VanDerWaalsContact CA-OD1 3.29Å; R343-N351 WeakPolarHBondContact CA-OD1 3.32Å; R343-N351 PolarHBondContact O-ND2 2.9Å; R343-N351 PolarHBondContact O-OD1 3.27Å; S345-N351 PolarHBondContact O-ND2 2.82Å; S348-N351 PolarHBondContact O-N 3.14Å; S348-N351 VanDerWaalsContact OG-CB 3.28Å; S348-N351 WeakPolarHBondContact OG-CB 3.19Å; S348-N351 PolarHBondContact OG-N 2.94Å; F349-N351 PolarHBondContact O-N 2.93Å; N351-G355 PolarHBondContact O-N 2.92Å; N351-F356 PolarHBondContact O-N 3.45Å; N351-F356 VanDerWaalsContact O-N 3.1Å; N351-N357 VanDerWaalsContact ND2-CG 3.3Å; N351-N357 PolarHBondContact ND2-ND2 2.82Å; N351-N357 PolarHBondContact ND2-OD1 3.09Å; N351-N357 PolarHBondContact O-N 3.03Å
352	A	98.1	Very high	96.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-72	-51	171.5	0	0	0	0	0	111.5	L333 S348 F349 R350 E354 G355 N357	L333-A352 HydrophobicContact CD1-CB 3.42Å; L333-A352 VanDerWaalsContact CD1-CB 3.42Å; S348-A352 WeakPolarHBondContact O-CB 3.22Å; S348-A352 PolarHBondContact O-N 3.19Å; F349-A352 PolarHBondContact O-N 3.25Å; R350-A352 PolarHBondContact O-N 3.2Å; A352-E354 PolarHBondContact O-N 2.85Å; A352-G355 WeakPolarHBondContact O-CA 3.25Å; A352-G355 PolarHBondContact O-N 3.49Å; A352-G355 VanDerWaalsContact O-N 3.07Å; A352-N357 HydrophobicContact CB-CB 4.49Å
353	L	98.6	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.9	-46.4	178.8	176.4	58.8	0	0	0	112.3	F218 V219 F349 R350 G355 L370 H371 T401 I404 F405	F218-L353 HydrophobicContact CE1-CG 4.45Å; V219-L353 HydrophobicContact CG1-CD2 4.14Å; F349-L353 HydrophobicContact CE1-CD2 3.86Å; F349-L353 HydrophobicContact CE2-CB 4.47Å; F349-L353 HydrophobicContact CE2-CD2 4.48Å; F349-L353 HydrophobicContact CZ-CB 4.33Å; F349-L353 HydrophobicContact CZ-CD2 3.64Å; F349-L353 WeakPolarHBondContact O-CB 3.35Å; F349-L353 PolarHBondContact O-N 2.03Å; R350-L353 PolarHBondContact O-N 3.47Å; L353-G355 PolarHBondContact O-N 3.14Å; L353-L370 WeakPolarHBondContact O-CB 3.42Å; L353-H371 VanDerWaalsContact O-CB 3.31Å; L353-H371 WeakPolarHBondContact O-CB 3.28Å; L353-H371 PolarHBondContact O-N 2.83Å; L353-T401 HydrophobicContact CD1-CG2 4.14Å; L353-T401 HydrophobicContact CD2-CG2 3.97Å; L353-T401 HydrophobicContact CG-CG2 3.98Å; L353-I404 HydrophobicContact CD1-CB 3.94Å; L353-I404 HydrophobicContact CD1-CD1 3.79Å; L353-I404 HydrophobicContact CD1-CG1 4.5Å; L353-I404 HydrophobicContact CD1-CG2 3.76Å; L353-I404 HydrophobicContact CD2-CG2 4.5Å; L353-F405 HydrophobicContact CD2-CB 4.23Å
354	E	98.4	Very high	95.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-34	175.9	-174.5	169.8	-158.9	0	0	111.7	H213 Q214 F218 R350 A352 F356 H371 N372	H213-E354 VanDerWaalsContact CA-OE1 3.28Å; H213-E354 WeakPolarHBondContact CA-OE1 3.48Å; H213-E354 VanDerWaalsContact CB-OE1 3.31Å; H213-E354 WeakPolarHBondContact CB-OE1 3.47Å; H213-E354 IonicContact CD2-OE1 3.97Å; Q214-E354 PolarHBondContact N-OE1 3.31Å; F218-E354 HydrophobicContact CD1-CB 3.8Å; F218-E354 HydrophobicContact CD1-CG 4.1Å; F218-E354 HydrophobicContact CD2-CG 4.08Å; F218-E354 HydrophobicContact CE1-CB 3.72Å; F218-E354 HydrophobicContact CE1-CG 4.09Å; F218-E354 HydrophobicContact CE2-CG 4.07Å; F218-E354 HydrophobicContact CG-CB 4.29Å; F218-E354 HydrophobicContact CG-CG 4.1Å; F218-E354 HydrophobicContact CZ-CB 4.13Å; F218-E354 HydrophobicContact CZ-CG 4.08Å; R350-E354 IonicContact CZ-OE2 3.61Å; R350-E354 IonicContact NH1-OE2 2.68Å; R350-E354 PolarHBondContact NH1-OE2 3.12Å; R350-E354 WeakPolarHBondContact O-CB 3.32Å; R350-E354 PolarHBondContact O-N 3.22Å; A352-E354 PolarHBondContact O-N 2.85Å; E354-F356 HydrophobicContact CB-CD2 4.45Å; E354-F356 VanDerWaalsContact CD-CE2 3.49Å; E354-F356 HydrophobicContact CG-CD2 3.86Å; E354-F356 HydrophobicContact CG-CE2 3.73Å; E354-H371 WeakPolarHBondContact O-CB 3.33Å; E354-H371 PolarHBondContact O-ND1 3.02Å; E354-H371 VanDerWaalsContact O-ND1 3.13Å; E354-N372 WeakPolarHBondContact O-CB 3Å; E354-N372 PolarHBondContact O-N 2.98Å; E354-N372 PolarHBondContact O-ND2 3.12Å; E354-N372 VanDerWaalsContact O-ND2 3.17Å; E354-N372 PolarHBondContact O-OD1 2.81Å; E354-N372 VanDerWaalsContact O-OD1 3.12Å
355	G	97.3	Very high	94.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.5	24.8	168.1	0	0	0	0	0	115.8	N351 A352 L353 L368 S369	N351-G355 PolarHBondContact O-N 2.92Å; A352-G355 WeakPolarHBondContact O-CA 3.25Å; A352-G355 PolarHBondContact O-N 3.49Å; A352-G355 VanDerWaalsContact O-N 3.07Å; L353-G355 PolarHBondContact O-N 3.14Å; G355-L368 WeakPolarHBondContact O-CA 3.02Å; G355-S369 VanDerWaalsContact CA-O 3.25Å; G355-S369 WeakPolarHBondContact CA-O 3.34Å; G355-S369 WeakPolarHBondContact CA-OG 2.98Å; G355-S369 PolarHBondContact O-N 3.26Å; G355-S369 VanDerWaalsContact O-N 3.13Å
356	F	95.8	Very high	93.9	Very high	48 Å²	48	37.8 Å²	37.8	21%	0.211	21%	0.214	C	C	.	.	S	Bend	trans	-90.5	-20.2	172.5	-69.9	-67.5	0	0	0	113.3	Q214 R343 N351 E354 N372	Q214-F356 HydrophobicContact CB-CE2 4.43Å; Q214-F356 HydrophobicContact CG-CE2 3.7Å; Q214-F356 HydrophobicContact CG-CZ 3.62Å; R343-F356 HydrophobicContact CB-CB 4.25Å; R343-F356 HydrophobicContact CB-CD1 4.02Å; R343-F356 HydrophobicContact CB-CD2 3.92Å; R343-F356 HydrophobicContact CB-CE1 4.36Å; R343-F356 HydrophobicContact CB-CE2 4.26Å; R343-F356 HydrophobicContact CB-CG 3.8Å; R343-F356 HydrophobicContact CB-CZ 4.48Å; R343-F356 WeakPolarHBondContact O-CB 3.04Å; N351-F356 PolarHBondContact O-N 3.45Å; N351-F356 VanDerWaalsContact O-N 3.1Å; E354-F356 HydrophobicContact CB-CD2 4.45Å; E354-F356 VanDerWaalsContact CD-CE2 3.49Å; E354-F356 HydrophobicContact CG-CD2 3.86Å; E354-F356 HydrophobicContact CG-CE2 3.73Å; F356-N372 WeakPolarHBondContact CE1-ND2 3.01Å; F356-N372 WeakPolarHBondContact CZ-ND2 3.34Å
357	N	93.8	Very high	93.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-99.5	173.6	169.2	-75	-19.9	0	0	0	111.3	S345 N351 A352 G361 L363 S369	S345-N357 PolarHBondContact O-ND2 3.43Å; N351-N357 VanDerWaalsContact ND2-CG 3.3Å; N351-N357 PolarHBondContact ND2-ND2 2.82Å; N351-N357 PolarHBondContact ND2-OD1 3.09Å; N351-N357 PolarHBondContact O-N 3.03Å; A352-N357 HydrophobicContact CB-CB 4.49Å; N357-G361 PolarHBondContact ND2-O 3.42Å; N357-L363 WeakPolarHBondContact OD1-CD2 3.45Å; N357-S369 PolarHBondContact O-OG 3.44Å
358	K	94.9	Very high	93.1	Very high	81 Å²	81	35.3 Å²	35.3	35%	0.352	20%	0.204	S	C	.	.			trans	-63.4	157.9	152.3	-69.4	-163.7	-131.1	134.6	0	110.7	D360 G361 T362 V367	K358-D360 WeakPolarHBondContact CB-OD1 3.31Å; K358-D360 PolarHBondContact O-N 2.96Å; K358-G361 WeakPolarHBondContact O-CA 3.23Å; K358-G361 PolarHBondContact O-N 3.35Å; K358-T362 WeakPolarHBondContact CD-OG1 3.27Å; K358-T362 WeakPolarHBondContact CE-OG1 3.35Å; K358-T362 PolarHBondContact N-O 2.03Å; K358-T362 PolarHBondContact NZ-OG1 3.27Å; K358-V367 HydrophobicContact CG-CG1 4.24Å; K358-V367 HydrophobicContact CG-CG2 4.07Å
359	P	95.9	Very high	93	Very high	14 Å²	14	35.7 Å²	35.7	9%	0.091	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.6	-179.4	-24.2	36.4	0	0	0	114.6	D326 N329 C330 G361 L370	D326-P359 HydrophobicContact CB-CB 3.89Å; D326-P359 HydrophobicContact CB-CG 3.59Å; D326-P359 VanDerWaalsContact O-CB 3.27Å; D326-P359 WeakPolarHBondContact O-CB 3.45Å; D326-P359 WeakPolarHBondContact OD1-CG 3.24Å; N329-P359 CarbonylContact C-O 3.29Å; N329-P359 VanDerWaalsContact C-O 3.25Å; N329-P359 HydrophobicContact CB-CB 4.15Å; C330-P359 VanDerWaalsContact CA-O 3.22Å; C330-P359 WeakPolarHBondContact CA-O 3.48Å; C330-P359 PolarHBondContact N-O 3.03Å; C330-P359 VanDerWaalsContact N-O 3.14Å; P359-G361 PolarHBondContact O-N 3.27Å; P359-L370 HydrophobicContact CB-CD1 4.39Å; P359-L370 HydrophobicContact CG-CG 4.48Å
360	D	94.4	Very high	93	Very high	61 Å²	61	35.8 Å²	35.8	33%	0.326	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	7.4	170.6	67.1	1.3	0	0	0	113.8	K358 T362	K358-D360 WeakPolarHBondContact CB-OD1 3.31Å; K358-D360 PolarHBondContact O-N 2.96Å; D360-T362 VanDerWaalsContact CG-OG1 3.31Å; D360-T362 PolarHBondContact O-N 2.94Å; D360-T362 VanDerWaalsContact OD1-CB 3.26Å; D360-T362 WeakPolarHBondContact OD1-CB 3.38Å; D360-T362 WeakPolarHBondContact OD1-CG2 3.05Å; D360-T362 PolarHBondContact OD1-N 2.03Å; D360-T362 PolarHBondContact OD1-OG1 2.9Å; D360-T362 PolarHBondContact OD2-OG1 2.79Å
361	G	93.8	Very high	93	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	74.7	0.4	-177.1	0	0	0	0	0	114.8	F347 N357 K358 P359	F347-G361 PolarHBondContact N-O 2.76Å; N357-G361 PolarHBondContact ND2-O 3.42Å; K358-G361 WeakPolarHBondContact O-CA 3.23Å; K358-G361 PolarHBondContact O-N 3.35Å; P359-G361 PolarHBondContact O-N 3.27Å
362	T	94.4	Very high	92.9	Very high	35 Å²	35	37 Å²	37	22%	0.215	21%	0.213	C	C	.	.			trans	-72.5	131.8	178.7	62.4	0	0	0	0	111.5	F347 K358 D360 N364	F347-T362 HydrophobicContact CE1-CG2 4.03Å; F347-T362 HydrophobicContact CZ-CG2 4.26Å; K358-T362 WeakPolarHBondContact CD-OG1 3.27Å; K358-T362 WeakPolarHBondContact CE-OG1 3.35Å; K358-T362 PolarHBondContact N-O 2.03Å; K358-T362 PolarHBondContact NZ-OG1 3.27Å; D360-T362 VanDerWaalsContact CG-OG1 3.31Å; D360-T362 PolarHBondContact O-N 2.94Å; D360-T362 VanDerWaalsContact OD1-CB 3.26Å; D360-T362 WeakPolarHBondContact OD1-CB 3.38Å; D360-T362 WeakPolarHBondContact OD1-CG2 3.05Å; D360-T362 PolarHBondContact OD1-N 2.03Å; D360-T362 PolarHBondContact OD1-OG1 2.9Å; D360-T362 PolarHBondContact OD2-OG1 2.79Å; T362-N364 PolarHBondContact O-N 2.84Å
363	L	89.8	Confident	92.8	Very high	91 Å²	91	38.2 Å²	38.2	48%	0.476	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-65.1	128.4	178.9	-81.5	167.1	0	0	0	111.3	N344 N357	N344-L363 HydrophobicContact CB-CD2 4.29Å; N344-L363 VanDerWaalsContact O-CD2 3.32Å; N344-L363 WeakPolarHBondContact O-CD2 3.36Å; N357-L363 WeakPolarHBondContact OD1-CD2 3.45Å
364	N	87.2	Confident	92.6	Very high	60 Å²	60	38.2 Å²	38.2	32%	0.321	22%	0.22	S	C	.	.			trans	-151.8	109.4	165.9	-175.8	-19.7	0	0	0	109.6	T362 S366 V367	T362-N364 PolarHBondContact O-N 2.84Å; N364-S366 PolarHBondContact O-N 2.7Å; N364-S366 PolarHBondContact OD1-N 3.37Å; N364-V367 HydrophobicContact CB-CB 4.1Å; N364-V367 HydrophobicContact CB-CG2 3.68Å; N364-V367 WeakPolarHBondContact ND2-CG2 3.25Å; N364-V367 PolarHBondContact O-N 3.16Å
365	S	77.9	Confident	92.4	Very high	128 Å²	128	39.1 Å²	39.1	90%	0.895	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-10.9	-177	56.4	0	0	0	0	115.2
366	S	80.6	Confident	92.2	Very high	108 Å²	108	40.1 Å²	40.1	76%	0.755	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.2	2.5	179.8	-54.8	0	0	0	0	113.2	N364	N364-S366 PolarHBondContact O-N 2.7Å; N364-S366 PolarHBondContact OD1-N 3.37Å
367	V	84.6	Confident	92	Very high	37 Å²	37	38.5 Å²	38.5	22%	0.224	22%	0.224	C	C	.	.			trans	-93.4	138.7	179.2	166.7	0	0	0	0	110.7	K358 N364	K358-V367 HydrophobicContact CG-CG1 4.24Å; K358-V367 HydrophobicContact CG-CG2 4.07Å; N364-V367 HydrophobicContact CB-CB 4.1Å; N364-V367 HydrophobicContact CB-CG2 3.68Å; N364-V367 WeakPolarHBondContact ND2-CG2 3.25Å; N364-V367 PolarHBondContact O-N 3.16Å
368	L	89.8	Confident	91.9	Very high	79 Å²	79	38.7 Å²	38.7	41%	0.414	23%	0.225	S	C	.	.			trans	-119.3	126.9	159.2	-65.2	167.2	0	0	0	105.8	G355 N372	G355-L368 WeakPolarHBondContact O-CA 3.02Å; L368-N372 HydrophobicContact CD2-CB 4.07Å
369	S	94.1	Very high	91.7	Very high	8 Å²	8	37.2 Å²	37.2	6%	0.056	22%	0.221	C	C	.	.			trans	-131.4	175.8	178.5	73.6	0	0	0	0	111.1	G355 N357 H371 N372 L373	G355-S369 VanDerWaalsContact CA-O 3.25Å; G355-S369 WeakPolarHBondContact CA-O 3.34Å; G355-S369 WeakPolarHBondContact CA-OG 2.98Å; G355-S369 PolarHBondContact O-N 3.26Å; G355-S369 VanDerWaalsContact O-N 3.13Å; N357-S369 PolarHBondContact O-OG 3.44Å; S369-H371 PolarHBondContact O-N 2.98Å; S369-N372 PolarHBondContact O-N 2.92Å; S369-L373 VanDerWaalsContact C-CB 3.44Å; S369-L373 PolarHBondContact O-N 3.09Å
370	L	97	Very high	91.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	39.7	-116.6	170.8	-63.7	178.6	0	0	0	114.4	F249 P322 D326 I327 C330 L353 P359 L373 A374	F249-L370 HydrophobicContact CE2-CD2 4.45Å; P322-L370 HydrophobicContact CB-CD2 3.99Å; D326-L370 HydrophobicContact CB-CD2 3.92Å; I327-L370 HydrophobicContact CD1-CD2 3.61Å; I327-L370 HydrophobicContact CG1-CD2 4.42Å; C330-L370 HydrophobicContact CB-CD1 3.62Å; L353-L370 WeakPolarHBondContact O-CB 3.42Å; P359-L370 HydrophobicContact CB-CD1 4.39Å; P359-L370 HydrophobicContact CG-CG 4.48Å; L370-L373 PolarHBondContact O-N 3.14Å; L370-A374 WeakPolarHBondContact O-CB 3.2Å; L370-A374 PolarHBondContact O-N 3.25Å
371	H	98.1	Very high	91.5	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58	-54.4	-177.3	159.6	-90.1	0	0	0	112.8	F218 L353 E354 S369 L373 A374 L375 H398	F218-H371 AromaticContact CE2-CE1 3.65Å; F218-H371 AromaticContact CE2-ND1 3.95Å; F218-H371 AromaticContact CE2-NE2 3.74Å; F218-H371 HydrophobicContact CZ-CB 4.27Å; F218-H371 AromaticContact CZ-CD2 3.75Å; F218-H371 AromaticContact CZ-CE1 3.9Å; F218-H371 AromaticContact CZ-CG 3.7Å; F218-H371 AromaticContact CZ-ND1 3.79Å; F218-H371 AromaticContact CZ-NE2 3.89Å; L353-H371 VanDerWaalsContact O-CB 3.31Å; L353-H371 WeakPolarHBondContact O-CB 3.28Å; L353-H371 PolarHBondContact O-N 2.83Å; E354-H371 WeakPolarHBondContact O-CB 3.33Å; E354-H371 PolarHBondContact O-ND1 3.02Å; E354-H371 VanDerWaalsContact O-ND1 3.13Å; S369-H371 PolarHBondContact O-N 2.98Å; H371-L373 VanDerWaalsContact C-N 3.27Å; H371-L373 PolarHBondContact O-N 2.98Å; H371-A374 PolarHBondContact O-N 3.29Å; H371-A374 VanDerWaalsContact O-N 3.14Å; H371-L375 PolarHBondContact O-N 3.2Å; H371-H398 AromaticContact CD2-CE1 3.62Å; H371-H398 AromaticContact CD2-NE2 3.89Å; H371-H398 AromaticContact NE2-CE1 3.03Å; H371-H398 PolarHBondContact NE2-CE1 3.1Å; H371-H398 AromaticContact NE2-ND1 3.98Å; H371-H398 AromaticContact NE2-NE2 3.3Å; H371-H398 PolarHBondContact NE2-NE2 2.78Å
372	N	96.6	Very high	91.5	Very high	25 Å²	25	35.1 Å²	35.1	13%	0.134	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-34.2	179.6	-75.4	-15.2	0	0	0	112.6	E354 F356 L368 S369 S376	E354-N372 WeakPolarHBondContact O-CB 3Å; E354-N372 PolarHBondContact O-N 2.98Å; E354-N372 PolarHBondContact O-ND2 3.12Å; E354-N372 VanDerWaalsContact O-ND2 3.17Å; E354-N372 PolarHBondContact O-OD1 2.81Å; E354-N372 VanDerWaalsContact O-OD1 3.12Å; F356-N372 WeakPolarHBondContact CE1-ND2 3.01Å; F356-N372 WeakPolarHBondContact CZ-ND2 3.34Å; L368-N372 HydrophobicContact CD2-CB 4.07Å; S369-N372 PolarHBondContact O-N 2.92Å; N372-S376 WeakPolarHBondContact O-CB 3.42Å; N372-S376 PolarHBondContact O-N 3.27Å
373	L	95.4	Very high	91.4	Very high	26 Å²	26	36.3 Å²	36.3	14%	0.136	22%	0.222	C	C	.	.	H	α-helix	trans	-69.8	-41.2	175	-179	56	0	0	0	111.8	P322 S369 L370 H371 S376 F377	P322-L373 HydrophobicContact CG-CB 4.37Å; P322-L373 HydrophobicContact CG-CD2 4.08Å; P322-L373 HydrophobicContact CG-CG 4.36Å; S369-L373 VanDerWaalsContact C-CB 3.44Å; S369-L373 PolarHBondContact O-N 3.09Å; L370-L373 PolarHBondContact O-N 3.14Å; H371-L373 VanDerWaalsContact C-N 3.27Å; H371-L373 PolarHBondContact O-N 2.98Å; L373-S376 PolarHBondContact O-N 2.96Å; L373-F377 VanDerWaalsContact O-CB 3.26Å; L373-F377 WeakPolarHBondContact O-CB 3.44Å; L373-F377 PolarHBondContact O-N 3.33Å
374	A	94.9	Very high	91.6	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-43.8	176.7	0	0	0	0	0	111.9	F249 L370 H371 F377 L378 L397	F249-A374 HydrophobicContact CB-CB 4.1Å; F249-A374 HydrophobicContact CD1-CB 3.78Å; F249-A374 HydrophobicContact CD2-CB 4.1Å; F249-A374 HydrophobicContact CE1-CB 4.17Å; F249-A374 HydrophobicContact CE2-CB 4.49Å; F249-A374 HydrophobicContact CG-CB 3.74Å; L370-A374 WeakPolarHBondContact O-CB 3.2Å; L370-A374 PolarHBondContact O-N 3.25Å; H371-A374 PolarHBondContact O-N 3.29Å; H371-A374 VanDerWaalsContact O-N 3.14Å; A374-F377 PolarHBondContact O-N 2.97Å; A374-L378 PolarHBondContact O-N 3.21Å; A374-L397 HydrophobicContact CB-CD1 3.78Å; A374-L397 HydrophobicContact CB-CG 4.23Å
375	L	94.1	Very high	91.9	Very high	20 Å²	20	35.3 Å²	35.3	11%	0.105	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-47.5	171.6	-69.9	173.7	0	0	0	111.6	H371 F377 L378 N379 V383 L397	H371-L375 PolarHBondContact O-N 3.2Å; L375-F377 PolarHBondContact O-N 3.42Å; L375-L378 PolarHBondContact O-N 3.35Å; L375-N379 PolarHBondContact O-N 2.89Å; L375-V383 VanDerWaalsContact O-CG1 3.24Å; L375-V383 WeakPolarHBondContact O-CG1 3.39Å; L375-L397 HydrophobicContact CD2-CD1 3.7Å; L375-L397 HydrophobicContact CG-CD1 3.97Å
376	S	93.2	Very high	92.8	Very high	21 Å²	21	30.6 Å²	30.6	15%	0.147	19%	0.186	C	C	.	.	H	α-helix	trans	-59.2	-32.3	178.5	-171.5	0	0	0	0	113.4	R319 N372 L373 N379	R319-S376 PolarHBondContact NH1-OG 2.92Å; R319-S376 VanDerWaalsContact NH1-OG 3.09Å; N372-S376 WeakPolarHBondContact O-CB 3.42Å; N372-S376 PolarHBondContact O-N 3.27Å; L373-S376 PolarHBondContact O-N 2.96Å; S376-N379 PolarHBondContact O-N 2.7Å
377	F	92.3	Very high	93.5	Very high	14 Å²	14	25.4 Å²	25.4	6%	0.061	15%	0.15	C	C	.	.	H	α-helix	trans	-70.6	-36.3	-179.7	-175.7	-93	0	0	0	112.9	C256 R319 L321 L373 A374 L375 N379	C256-F377 HydrophobicContact CB-CE1 3.86Å; R319-F377 VanDerWaalsContact O-CE2 3.32Å; R319-F377 WeakPolarHBondContact O-CE2 3.17Å; L321-F377 HydrophobicContact CD1-CD1 4.26Å; L321-F377 HydrophobicContact CD1-CE1 4Å; L321-F377 HydrophobicContact CD1-CZ 4.37Å; L321-F377 HydrophobicContact CD2-CB 3.84Å; L321-F377 HydrophobicContact CD2-CD1 3.57Å; L321-F377 HydrophobicContact CD2-CD2 4.13Å; L321-F377 HydrophobicContact CD2-CE1 4.13Å; L321-F377 HydrophobicContact CD2-CG 3.57Å; L321-F377 HydrophobicContact CG-CD1 3.86Å; L321-F377 HydrophobicContact CG-CD2 4.09Å; L321-F377 HydrophobicContact CG-CE1 3.9Å; L321-F377 HydrophobicContact CG-CE2 4.15Å; L321-F377 HydrophobicContact CG-CG 3.95Å; L321-F377 HydrophobicContact CG-CZ 4.07Å; L373-F377 VanDerWaalsContact O-CB 3.26Å; L373-F377 WeakPolarHBondContact O-CB 3.44Å; L373-F377 PolarHBondContact O-N 3.33Å; A374-F377 PolarHBondContact O-N 2.97Å; L375-F377 PolarHBondContact O-N 3.42Å; F377-N379 VanDerWaalsContact C-N 3.33Å
378	L	91.5	Very high	94.1	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-67	-35.8	175.1	-62	172.4	0	0	0	112.2	W247 R311 G312 A374 L375 I393 L397	W247-L378 HydrophobicContact CH2-CD2 4.27Å; W247-L378 HydrophobicContact CZ3-CD2 4.39Å; R311-L378 HydrophobicContact CG-CB 4.38Å; R311-L378 WeakPolarHBondContact CG-O 3.2Å; G312-L378 PolarHBondContact N-O 3.42Å; G312-L378 VanDerWaalsContact N-O 3.14Å; A374-L378 PolarHBondContact O-N 3.21Å; L375-L378 PolarHBondContact O-N 3.35Å; L378-I393 HydrophobicContact CD1-CB 4.08Å; L378-I393 HydrophobicContact CD1-CD1 4.37Å; L378-I393 HydrophobicContact CD1-CG2 3.61Å; L378-I393 HydrophobicContact CD2-CD1 3.68Å; L378-I393 HydrophobicContact CD2-CG2 4.31Å; L378-L397 HydrophobicContact CD1-CD1 4.47Å
379	N	89.5	Confident	94.6	Very high	50 Å²	50	20 Å²	20	27%	0.267	12%	0.121	S	C	.	.			trans	58.2	-174.7	-175.5	-164.1	18.6	0	0	0	112.6	G312 L375 S376 F377 T381	G312-N379 VanDerWaalsContact O-CB 3.28Å; G312-N379 WeakPolarHBondContact O-CB 3.44Å; G312-N379 PolarHBondContact O-ND2 3.32Å; L375-N379 PolarHBondContact O-N 2.89Å; S376-N379 PolarHBondContact O-N 2.7Å; F377-N379 VanDerWaalsContact C-N 3.33Å; N379-T381 PolarHBondContact O-N 2.88Å
380	G	92	Very high	94.8	Very high	25 Å²	25	19.7 Å²	19.7	26%	0.258	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	70.2	-129.4	175.7	0	0	0	0	0	112.7	S382 V383	G380-S382 VanDerWaalsContact C-N 3.28Å; G380-S382 PolarHBondContact O-N 2.79Å; G380-V383 VanDerWaalsContact O-CG2 3.32Å; G380-V383 WeakPolarHBondContact O-CG2 3.24Å; G380-V383 PolarHBondContact O-N 3.3Å
381	T	95.4	Very high	94.8	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.025	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-62.8	-34.5	-179.2	-57.4	0	0	0	0	112	I286 L309 R310 N379 V383 L384 A387 A388 N390	I286-T381 HydrophobicContact CG2-CG2 4.29Å; L309-T381 HydrophobicContact CD1-CG2 3.92Å; R310-T381 PolarHBondContact N-OG1 3Å; R310-T381 VanDerWaalsContact N-OG1 3.12Å; R310-T381 PolarHBondContact O-N 3.38Å; R310-T381 PolarHBondContact O-OG1 2.91Å; N379-T381 PolarHBondContact O-N 2.88Å; T381-V383 PolarHBondContact O-N 3.37Å; T381-L384 PolarHBondContact O-N 2.95Å; T381-A387 HydrophobicContact CG2-CB 4.15Å; T381-A387 WeakPolarHBondContact CG2-O 3.34Å; T381-A388 WeakPolarHBondContact O-CA 3.08Å; T381-N390 HydrophobicContact CG2-CB 3.91Å
382	S	93.3	Very high	94.8	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.014	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-68.7	-14.2	-175.3	-57.6	0	0	0	0	115.1	G380 A388 D391	G380-S382 VanDerWaalsContact C-N 3.28Å; G380-S382 PolarHBondContact O-N 2.79Å; S382-A388 WeakPolarHBondContact O-CB 3.31Å; S382-D391 VanDerWaalsContact OG-CB 3.27Å; S382-D391 WeakPolarHBondContact OG-CB 3.32Å; S382-D391 PolarHBondContact OG-OD2 3.23Å
383	V	92	Very high	94.9	Very high	60 Å²	60	18.5 Å²	18.5	36%	0.364	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-98.3	-1.4	178.8	-58.3	0	0	0	0	114	L375 G380 T381	L375-V383 VanDerWaalsContact O-CG1 3.24Å; L375-V383 WeakPolarHBondContact O-CG1 3.39Å; G380-V383 VanDerWaalsContact O-CG2 3.32Å; G380-V383 WeakPolarHBondContact O-CG2 3.24Å; G380-V383 PolarHBondContact O-N 3.3Å; T381-V383 PolarHBondContact O-N 3.37Å
384	L	94.3	Very high	95.1	Very high	65 Å²	65	17.3 Å²	17.3	34%	0.34	11%	0.106	S	C	.	.			trans	-96.5	103.6	175.1	-58.7	178.7	0	0	0	107.8	N289 T381 H386 A387 A388	N289-L384 WeakPolarHBondContact OD1-CD1 3.23Å; T381-L384 PolarHBondContact O-N 2.95Å; L384-H386 PolarHBondContact O-N 2.85Å; L384-A387 HydrophobicContact CB-CB 4.18Å; L384-A387 CarbonylContact O-C 3.5Å; L384-A387 PolarHBondContact O-N 2.94Å; L384-A388 WeakPolarHBondContact O-CB 3.36Å; L384-A388 PolarHBondContact O-N 3.2Å
385	S	93.8	Very high	95.3	Very high	65 Å²	65	17.3 Å²	17.3	46%	0.455	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-40.8	-175.2	-48.8	0	0	0	0	112.7	H191 A387	H191-S385 PolarHBondContact CE1-O 2.85Å; H191-S385 PolarHBondContact ND1-O 2.82Å; S385-A387 VanDerWaalsContact C-N 3.25Å; S385-A387 PolarHBondContact O-N 3.43Å
386	H	95.3	Very high	95.5	Very high	29 Å²	29	16.4 Å²	16.4	13%	0.134	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.7	178.8	62.3	-102.9	0	0	0	114.9	Y192 V195 C288 L291 L384	Y192-H386 WeakPolarHBondContact CB-O 3.08Å; Y192-H386 HydrophobicContact CD2-CB 4.2Å; V195-H386 VanDerWaalsContact CG2-CA 3.5Å; V195-H386 HydrophobicContact CG2-CB 4.07Å; C288-H386 PolarHBondContact O-CD2 3.44Å; L291-H386 HydrophobicContact CD2-CB 4.37Å; L291-H386 WeakPolarHBondContact CD2-ND1 3.42Å; L384-H386 PolarHBondContact O-N 2.85Å
387	A	96.9	Very high	95.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-7.3	-177.3	0	0	0	0	0	114.6	N289 T381 L384 S385 A389 N390	N289-A387 HydrophobicContact CB-CB 4.37Å; T381-A387 HydrophobicContact CG2-CB 4.15Å; T381-A387 WeakPolarHBondContact CG2-O 3.34Å; L384-A387 HydrophobicContact CB-CB 4.18Å; L384-A387 CarbonylContact O-C 3.5Å; L384-A387 PolarHBondContact O-N 2.94Å; S385-A387 VanDerWaalsContact C-N 3.25Å; S385-A387 PolarHBondContact O-N 3.43Å; A387-A389 VanDerWaalsContact C-N 3.29Å; A387-A389 PolarHBondContact O-N 3.25Å; A387-A389 VanDerWaalsContact O-N 3.16Å; A387-N390 VanDerWaalsContact O-CB 3.26Å; A387-N390 WeakPolarHBondContact O-CB 3.33Å; A387-N390 PolarHBondContact O-N 2.94Å; A387-N390 PolarHBondContact O-ND2 2.79Å
388	A	97.7	Very high	96.1	Very high	2 Å²	2	14.8 Å²	14.8	2%	0.017	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-55.6	-38.9	-169.8	0	0	0	0	0	113.9	T381 S382 L384 N390 D391 F394	T381-A388 WeakPolarHBondContact O-CA 3.08Å; S382-A388 WeakPolarHBondContact O-CB 3.31Å; L384-A388 WeakPolarHBondContact O-CB 3.36Å; L384-A388 PolarHBondContact O-N 3.2Å; A388-N390 PolarHBondContact O-N 3.01Å; A388-D391 PolarHBondContact O-N 2.89Å; A388-F394 HydrophobicContact CB-CD2 4.08Å; A388-F394 HydrophobicContact CB-CE2 4.29Å
389	A	98.3	Very high	96.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-59.9	-14.5	177.2	0	0	0	0	0	114.6	Y184 F187 V188 H191 A387 D391 F394	Y184-A389 VanDerWaalsContact CE1-O 3.24Å; Y184-A389 WeakPolarHBondContact CE1-O 3.5Å; Y184-A389 PolarHBondContact OH-O 3.1Å; F187-A389 HydrophobicContact CD1-CB 4.36Å; F187-A389 HydrophobicContact CE1-CB 4.1Å; V188-A389 HydrophobicContact CB-CB 4.47Å; V188-A389 HydrophobicContact CG2-CB 4.22Å; H191-A389 HydrophobicContact CB-CB 4.11Å; A387-A389 VanDerWaalsContact C-N 3.29Å; A387-A389 PolarHBondContact O-N 3.25Å; A387-A389 VanDerWaalsContact O-N 3.16Å; A389-D391 VanDerWaalsContact C-N 3.3Å; A389-D391 PolarHBondContact O-N 3.34Å; A389-F394 HydrophobicContact CB-CD1 4.12Å; A389-F394 HydrophobicContact CB-CD2 4.22Å; A389-F394 HydrophobicContact CB-CE1 4.18Å; A389-F394 HydrophobicContact CB-CE2 4.25Å; A389-F394 HydrophobicContact CB-CG 4.16Å; A389-F394 HydrophobicContact CB-CZ 4.25Å
390	N	98.6	Very high	96.9	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.011	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-66.6	-28.5	172.5	-74.4	-78.3	0	0	0	113.2	V188 I286 V287 T381 A387 A388 P392	V188-N390 WeakPolarHBondContact CG1-ND2 3.43Å; I286-N390 VanDerWaalsContact CA-OD1 3.3Å; I286-N390 WeakPolarHBondContact CA-OD1 3.2Å; I286-N390 HydrophobicContact CB-CB 4Å; I286-N390 HydrophobicContact CG2-CB 3.84Å; V287-N390 PolarHBondContact N-OD1 2.85Å; V287-N390 PolarHBondContact O-ND2 3.01Å; T381-N390 HydrophobicContact CG2-CB 3.91Å; A387-N390 VanDerWaalsContact O-CB 3.26Å; A387-N390 WeakPolarHBondContact O-CB 3.33Å; A387-N390 PolarHBondContact O-N 2.94Å; A387-N390 PolarHBondContact O-ND2 2.79Å; A388-N390 PolarHBondContact O-N 3.01Å; N390-P392 WeakPolarHBondContact O-CD 3.24Å
391	D	98.4	Very high	97.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-78.3	118.9	171.5	-165.8	-33	0	0	0	108.7	L309 R311 S382 A388 A389 I393 F394	L309-D391 HydrophobicContact CD1-CB 3.81Å; L309-D391 HydrophobicContact CD2-CB 4.3Å; R311-D391 IonicContact CZ-OD1 2.75Å; R311-D391 IonicContact CZ-OD2 2.77Å; R311-D391 IonicContact NE-OD1 3.77Å; R311-D391 IonicContact NE-OD2 3.22Å; R311-D391 PolarHBondContact NE-OD2 3.19Å; R311-D391 VanDerWaalsContact NH2-CG 3.29Å; R311-D391 IonicContact NH2-OD1 2.77Å; R311-D391 PolarHBondContact NH2-OD1 2.68Å; R311-D391 IonicContact NH2-OD2 3.3Å; R311-D391 PolarHBondContact NH2-OD2 2.7Å; S382-D391 VanDerWaalsContact OG-CB 3.27Å; S382-D391 WeakPolarHBondContact OG-CB 3.32Å; S382-D391 PolarHBondContact OG-OD2 3.23Å; A388-D391 PolarHBondContact O-N 2.89Å; A389-D391 VanDerWaalsContact C-N 3.3Å; A389-D391 PolarHBondContact O-N 3.34Å; D391-I393 PolarHBondContact O-N 3.01Å; D391-I393 WeakPolarHBondContact OD1-CB 3.44Å; D391-I393 WeakPolarHBondContact OD1-CG1 3.38Å; D391-I393 PolarHBondContact OD1-N 2.86Å; D391-F394 WeakPolarHBondContact O-CB 3.44Å; D391-F394 PolarHBondContact O-N 3.27Å
392	P	98.3	Very high	97.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11	178.3	23.8	-31.5	0	0	0	114.4	L147 Y184 F264 F281 W284 N390 F394 V395	L147-P392 HydrophobicContact CD1-CB 4Å; Y184-P392 WeakPolarHBondContact OH-CA 3.46Å; F264-P392 HydrophobicContact CD1-CB 3.94Å; F264-P392 HydrophobicContact CD1-CG 3.88Å; F264-P392 HydrophobicContact CE1-CB 3.98Å; F264-P392 HydrophobicContact CE1-CG 4.44Å; F264-P392 WeakPolarHBondContact CE1-O 3.39Å; F281-P392 HydrophobicContact CD1-CB 4.47Å; F281-P392 HydrophobicContact CD1-CG 3.55Å; F281-P392 HydrophobicContact CD2-CG 4.35Å; F281-P392 HydrophobicContact CE1-CB 4.1Å; F281-P392 HydrophobicContact CE1-CG 3.63Å; F281-P392 HydrophobicContact CE2-CG 4.43Å; F281-P392 HydrophobicContact CG-CG 3.92Å; F281-P392 HydrophobicContact CZ-CB 4.42Å; F281-P392 HydrophobicContact CZ-CG 4.08Å; W284-P392 HydrophobicContact CE3-CG 4.24Å; W284-P392 HydrophobicContact CH2-CB 4.04Å; W284-P392 HydrophobicContact CH2-CG 4.22Å; W284-P392 HydrophobicContact CZ3-CB 3.9Å; W284-P392 HydrophobicContact CZ3-CG 3.82Å; N390-P392 WeakPolarHBondContact O-CD 3.24Å; P392-F394 PolarHBondContact O-N 3.35Å; P392-V395 PolarHBondContact O-N 3.21Å
393	I	98.6	Very high	97.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.6	-30.6	166.2	-65.2	176.1	0	0	0	111.3	W247 V258 F264 L378 D391 V395 V396 L397	W247-I393 HydrophobicContact CE3-CG2 3.62Å; W247-I393 HydrophobicContact CZ3-CG2 3.62Å; V258-I393 HydrophobicContact CG2-CD1 4.02Å; V258-I393 HydrophobicContact CG2-CG1 4.33Å; V258-I393 HydrophobicContact CG2-CG2 4.44Å; F264-I393 HydrophobicContact CB-CD1 3.95Å; F264-I393 HydrophobicContact CB-CG1 3.61Å; F264-I393 HydrophobicContact CD1-CG1 4.08Å; F264-I393 HydrophobicContact CD2-CD1 4.31Å; F264-I393 HydrophobicContact CD2-CG1 3.55Å; F264-I393 HydrophobicContact CE2-CG1 4.16Å; F264-I393 HydrophobicContact CG-CD1 4.3Å; F264-I393 HydrophobicContact CG-CG1 3.48Å; F264-I393 VanDerWaalsContact CG-CG1 3.48Å; L378-I393 HydrophobicContact CD1-CB 4.08Å; L378-I393 HydrophobicContact CD1-CD1 4.37Å; L378-I393 HydrophobicContact CD1-CG2 3.61Å; L378-I393 HydrophobicContact CD2-CD1 3.68Å; L378-I393 HydrophobicContact CD2-CG2 4.31Å; D391-I393 PolarHBondContact O-N 3.01Å; D391-I393 WeakPolarHBondContact OD1-CB 3.44Å; D391-I393 WeakPolarHBondContact OD1-CG1 3.38Å; D391-I393 PolarHBondContact OD1-N 2.86Å; I393-V395 PolarHBondContact O-N 3.46Å; I393-V396 HydrophobicContact CG2-CG2 4.37Å; I393-V396 VanDerWaalsContact O-CG2 3.24Å; I393-V396 WeakPolarHBondContact O-CG2 3.26Å; I393-V396 PolarHBondContact O-N 2.88Å; I393-V396 VanDerWaalsContact O-N 3.12Å; I393-L397 VanDerWaalsContact O-CB 3.3Å; I393-L397 WeakPolarHBondContact O-CB 3.45Å; I393-L397 PolarHBondContact O-N 2.73Å
394	F	98.8	Very high	98	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.009	5%	0.05	C	C	.	.	H	α-helix	trans	-49.9	-45.1	176	-176.8	-82	0	0	0	111.8	F187 H191 H222 H225 A388 A389 D391 P392 V396 L397 H398	F187-F394 AromaticContact CE1-CD1 3.76Å; F187-F394 HydrophobicContact CE1-CD1 3.76Å; F187-F394 HydrophobicContact CE1-CE1 4.07Å; F187-F394 AromaticContact CZ-CD1 3.69Å; F187-F394 HydrophobicContact CZ-CD1 3.69Å; F187-F394 AromaticContact CZ-CE1 3.74Å; F187-F394 HydrophobicContact CZ-CE1 3.74Å; H191-F394 AromaticContact CD2-CE2 3.92Å; H191-F394 AromaticContact CD2-CZ 3.4Å; H191-F394 VanDerWaalsContact CD2-CZ 3.4Å; H191-F394 WeakPolarHBondContact CD2-CZ 3.3Å; H191-F394 AromaticContact NE2-CE2 3.51Å; H191-F394 AromaticContact NE2-CZ 3.43Å; H191-F394 WeakPolarHBondContact NE2-CZ 3.45Å; H222-F394 AromaticContact CD2-CZ 3.92Å; H225-F394 AromaticContact CE1-CE1 3.69Å; H225-F394 AromaticContact ND1-CE1 3.69Å; A388-F394 HydrophobicContact CB-CD2 4.08Å; A388-F394 HydrophobicContact CB-CE2 4.29Å; A389-F394 HydrophobicContact CB-CD1 4.12Å; A389-F394 HydrophobicContact CB-CD2 4.22Å; A389-F394 HydrophobicContact CB-CE1 4.18Å; A389-F394 HydrophobicContact CB-CE2 4.25Å; A389-F394 HydrophobicContact CB-CG 4.16Å; A389-F394 HydrophobicContact CB-CZ 4.25Å; D391-F394 WeakPolarHBondContact O-CB 3.44Å; D391-F394 PolarHBondContact O-N 3.27Å; P392-F394 PolarHBondContact O-N 3.35Å; F394-V396 PolarHBondContact O-N 2.96Å; F394-L397 PolarHBondContact O-N 3.35Å; F394-H398 AromaticContact CD1-CD2 3.68Å; F394-H398 AromaticContact CD2-CD2 3.66Å; F394-H398 AromaticContact CD2-NE2 3.6Å; F394-H398 AromaticContact CE1-CD2 3.51Å; F394-H398 AromaticContact CE1-NE2 3.89Å; F394-H398 AromaticContact CE2-CD2 3.52Å; F394-H398 AromaticContact CE2-NE2 3.11Å; F394-H398 WeakPolarHBondContact CE2-NE2 3.22Å; F394-H398 AromaticContact CG-CD2 3.74Å; F394-H398 AromaticContact CZ-CD2 3.42Å; F394-H398 VanDerWaalsContact CZ-CD2 3.42Å; F394-H398 WeakPolarHBondContact CZ-CD2 3.27Å; F394-H398 AromaticContact CZ-CE1 3.83Å; F394-H398 AromaticContact CZ-NE2 3.26Å; F394-H398 VanDerWaalsContact CZ-NE2 3.26Å; F394-H398 WeakPolarHBondContact CZ-NE2 3.42Å; F394-H398 PolarHBondContact O-CD2 3.09Å; F394-H398 VanDerWaalsContact O-CD2 3.28Å; F394-H398 PolarHBondContact O-N 3.5Å
395	V	98.9	Very high	98.2	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-58.3	-47.6	-179.2	-178.7	0	0	0	0	111.5	Y184 F187 L226 L229 L244 P392 I393 S399	Y184-V395 HydrophobicContact CE2-CG2 4Å; F187-V395 HydrophobicContact CE1-CG2 3.93Å; F187-V395 HydrophobicContact CZ-CG2 4.01Å; L226-V395 HydrophobicContact CD2-CG1 4.21Å; L226-V395 WeakPolarHBondContact CD2-O 3.43Å; L229-V395 HydrophobicContact CD2-CG1 3.96Å; L229-V395 HydrophobicContact CD2-CG2 3.7Å; L244-V395 HydrophobicContact CD1-CG1 4Å; L244-V395 HydrophobicContact CD2-CG1 3.73Å; L244-V395 HydrophobicContact CG-CG1 4.33Å; P392-V395 PolarHBondContact O-N 3.21Å; I393-V395 PolarHBondContact O-N 3.46Å; V395-S399 WeakPolarHBondContact O-CB 3.44Å; V395-S399 PolarHBondContact O-N 2.83Å
396	V	98.9	Very high	98.4	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-81.4	-25.6	-176.9	-61.8	0	0	0	0	113.2	I132 F143 P245 Y246 W247 F264 I393 F394 F400	I132-V396 HydrophobicContact CD1-CG1 4.09Å; F143-V396 HydrophobicContact CE1-CG1 4.09Å; F143-V396 HydrophobicContact CZ-CG1 3.87Å; P245-V396 HydrophobicContact CG-CG1 3.93Å; Y246-V396 WeakPolarHBondContact CA-O 3.45Å; W247-V396 HydrophobicContact CB-CB 3.96Å; W247-V396 HydrophobicContact CB-CG2 3.63Å; W247-V396 PolarHBondContact N-O 3.42Å; F264-V396 HydrophobicContact CE2-CG1 4.44Å; F264-V396 HydrophobicContact CE2-CG2 3.62Å; F264-V396 HydrophobicContact CZ-CB 4.29Å; F264-V396 HydrophobicContact CZ-CG1 3.73Å; F264-V396 HydrophobicContact CZ-CG2 3.52Å; I393-V396 HydrophobicContact CG2-CG2 4.37Å; I393-V396 VanDerWaalsContact O-CG2 3.24Å; I393-V396 WeakPolarHBondContact O-CG2 3.26Å; I393-V396 PolarHBondContact O-N 2.88Å; I393-V396 VanDerWaalsContact O-N 3.12Å; F394-V396 PolarHBondContact O-N 2.96Å; V396-F400 PolarHBondContact O-N 2.94Å
397	L	98.8	Very high	98.5	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-66.7	-55.3	172.1	-173.7	163.4	0	0	0	109.9	W247 F249 A374 L375 L378 I393 F394 S399 F400 T401	W247-L397 HydrophobicContact CE3-CB 4.37Å; W247-L397 HydrophobicContact CZ3-CD1 4.3Å; F249-L397 HydrophobicContact CD1-CG 3.94Å; F249-L397 HydrophobicContact CE1-CD2 4.09Å; F249-L397 HydrophobicContact CE1-CG 3.98Å; A374-L397 HydrophobicContact CB-CD1 3.78Å; A374-L397 HydrophobicContact CB-CG 4.23Å; L375-L397 HydrophobicContact CD2-CD1 3.7Å; L375-L397 HydrophobicContact CG-CD1 3.97Å; L378-L397 HydrophobicContact CD1-CD1 4.47Å; I393-L397 VanDerWaalsContact O-CB 3.3Å; I393-L397 WeakPolarHBondContact O-CB 3.45Å; I393-L397 PolarHBondContact O-N 2.73Å; F394-L397 PolarHBondContact O-N 3.35Å; L397-S399 VanDerWaalsContact C-N 3.28Å; L397-S399 PolarHBondContact O-N 3.05Å; L397-F400 WeakPolarHBondContact O-CB 3.29Å; L397-F400 PolarHBondContact O-N 3.16Å; L397-T401 PolarHBondContact O-N 2.85Å; L397-T401 PolarHBondContact O-OG1 3.02Å
398	H	98.9	Very high	98.6	Very high	1 Å²	1	2.4 Å²	2.4	1%	0.005	1%	0.013	C	C	.	.	H	α-helix	trans	-66.1	-31	177.7	-76.7	-92.4	0	0	0	112.2	H222 L226 H371 F394 F400 T401 D402	H222-H398 AromaticContact CD2-CE1 3.3Å; H222-H398 PolarHBondContact CD2-CE1 3.21Å; H222-H398 AromaticContact CD2-ND1 3.2Å; H222-H398 PolarHBondContact CD2-ND1 3.21Å; H222-H398 AromaticContact CE1-CE1 3.89Å; H222-H398 AromaticContact CG-CE1 3.71Å; H222-H398 AromaticContact CG-ND1 3.33Å; H222-H398 VanDerWaalsContact CG-ND1 3.33Å; H222-H398 AromaticContact ND1-ND1 3.99Å; H222-H398 AromaticContact NE2-CE1 3.45Å; H222-H398 PolarHBondContact NE2-CE1 2.84Å; H222-H398 AromaticContact NE2-ND1 3.84Å; L226-H398 HydrophobicContact CD1-CB 4.1Å; L226-H398 HydrophobicContact CD2-CB 4.34Å; L226-H398 HydrophobicContact CG-CB 4.47Å; H371-H398 AromaticContact CD2-CE1 3.62Å; H371-H398 AromaticContact CD2-NE2 3.89Å; H371-H398 AromaticContact NE2-CE1 3.03Å; H371-H398 PolarHBondContact NE2-CE1 3.1Å; H371-H398 AromaticContact NE2-ND1 3.98Å; H371-H398 AromaticContact NE2-NE2 3.3Å; H371-H398 PolarHBondContact NE2-NE2 2.78Å; F394-H398 AromaticContact CD1-CD2 3.68Å; F394-H398 AromaticContact CD2-CD2 3.66Å; F394-H398 AromaticContact CD2-NE2 3.6Å; F394-H398 AromaticContact CE1-CD2 3.51Å; F394-H398 AromaticContact CE1-NE2 3.89Å; F394-H398 AromaticContact CE2-CD2 3.52Å; F394-H398 AromaticContact CE2-NE2 3.11Å; F394-H398 WeakPolarHBondContact CE2-NE2 3.22Å; F394-H398 AromaticContact CG-CD2 3.74Å; F394-H398 AromaticContact CZ-CD2 3.42Å; F394-H398 VanDerWaalsContact CZ-CD2 3.42Å; F394-H398 WeakPolarHBondContact CZ-CD2 3.27Å; F394-H398 AromaticContact CZ-CE1 3.83Å; F394-H398 AromaticContact CZ-NE2 3.26Å; F394-H398 VanDerWaalsContact CZ-NE2 3.26Å; F394-H398 WeakPolarHBondContact CZ-NE2 3.42Å; F394-H398 PolarHBondContact O-CD2 3.09Å; F394-H398 VanDerWaalsContact O-CD2 3.28Å; F394-H398 PolarHBondContact O-N 3.5Å; H398-F400 PolarHBondContact O-N 3.43Å; H398-T401 WeakPolarHBondContact O-CB 3.38Å; H398-T401 PolarHBondContact O-N 3.25Å; H398-D402 WeakPolarHBondContact O-CB 3.33Å; H398-D402 PolarHBondContact O-N 2.86Å
399	S	98.9	Very high	98.5	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-61.7	-31.6	171.2	-174.5	0	0	0	0	112.3	P245 V395 L397 A403 Y457	P245-S399 VanDerWaalsContact O-CB 3.22Å; P245-S399 WeakPolarHBondContact O-CB 3.05Å; P245-S399 PolarHBondContact O-OG 3.03Å; V395-S399 WeakPolarHBondContact O-CB 3.44Å; V395-S399 PolarHBondContact O-N 2.83Å; L397-S399 VanDerWaalsContact C-N 3.28Å; L397-S399 PolarHBondContact O-N 3.05Å; S399-A403 PolarHBondContact O-N 3.24Å; S399-Y457 WeakPolarHBondContact O-CE1 3.26Å; S399-Y457 PolarHBondContact O-OH 2.79Å
400	F	98.9	Very high	98.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-79.3	-37.2	172	-175.6	-127.9	0	0	0	112.5	Y246 W247 N248 F249 A250 I327 V396 L397 H398 D402 A403 I404 I459 L461	Y246-F400 HydrophobicContact CD2-CB 4.2Å; Y246-F400 AromaticContact CD2-CD2 3.69Å; Y246-F400 HydrophobicContact CD2-CD2 3.69Å; Y246-F400 HydrophobicContact CD2-CG 4.24Å; Y246-F400 HydrophobicContact CE2-CD2 4.1Å; W247-F400 WeakPolarHBondContact O-CB 3.32Å; W247-F400 VanDerWaalsContact O-CD1 3.3Å; W247-F400 WeakPolarHBondContact O-CD1 3.48Å; W247-F400 VanDerWaalsContact O-CG 3.29Å; W247-F400 WeakPolarHBondContact O-CG 3.35Å; N248-F400 HydrophobicContact CB-CE1 4.45Å; N248-F400 HydrophobicContact CB-CE2 4.22Å; N248-F400 HydrophobicContact CB-CZ 4.17Å; N248-F400 WeakPolarHBondContact OD1-CE1 3.37Å; N248-F400 WeakPolarHBondContact OD1-CZ 3.28Å; F249-F400 AromaticContact CD1-CD1 3.64Å; F249-F400 HydrophobicContact CD1-CD1 3.64Å; F249-F400 HydrophobicContact CD1-CE1 4.36Å; F249-F400 HydrophobicContact CD2-CD1 4.14Å; F249-F400 HydrophobicContact CD2-CE1 4.04Å; F249-F400 HydrophobicContact CE1-CB 4.46Å; F249-F400 AromaticContact CE1-CD1 3.57Å; F249-F400 HydrophobicContact CE1-CD1 3.57Å; F249-F400 HydrophobicContact CE1-CE1 4.33Å; F249-F400 HydrophobicContact CE1-CG 4.49Å; F249-F400 HydrophobicContact CE2-CD1 4.05Å; F249-F400 AromaticContact CE2-CE1 3.98Å; F249-F400 HydrophobicContact CE2-CE1 3.98Å; F249-F400 AromaticContact CG-CD1 3.94Å; F249-F400 HydrophobicContact CG-CD1 3.94Å; F249-F400 HydrophobicContact CG-CE1 4.22Å; F249-F400 AromaticContact CZ-CD1 3.77Å; F249-F400 HydrophobicContact CZ-CD1 3.77Å; F249-F400 HydrophobicContact CZ-CE1 4.13Å; A250-F400 HydrophobicContact CB-CE1 4.06Å; A250-F400 HydrophobicContact CB-CZ 4.24Å; I327-F400 HydrophobicContact CD1-CE1 4.16Å; I327-F400 HydrophobicContact CD1-CZ 4.19Å; V396-F400 PolarHBondContact O-N 2.94Å; L397-F400 WeakPolarHBondContact O-CB 3.29Å; L397-F400 PolarHBondContact O-N 3.16Å; H398-F400 PolarHBondContact O-N 3.43Å; F400-D402 VanDerWaalsContact C-N 3.29Å; F400-D402 PolarHBondContact O-N 2.8Å; F400-A403 HydrophobicContact CD2-CB 4.42Å; F400-A403 WeakPolarHBondContact O-CB 3.37Å; F400-A403 PolarHBondContact O-N 2.83Å; F400-A403 VanDerWaalsContact O-N 3.15Å; F400-I404 HydrophobicContact CD1-CD1 4.12Å; F400-I404 HydrophobicContact CE1-CD1 3.92Å; F400-I404 HydrophobicContact CE2-CD1 4.46Å; F400-I404 HydrophobicContact CE2-CG1 4.32Å; F400-I404 HydrophobicContact CG-CD1 4.49Å; F400-I404 HydrophobicContact CZ-CD1 4.09Å; F400-I404 HydrophobicContact CZ-CG1 4.32Å; F400-I404 WeakPolarHBondContact O-CG1 3.4Å; F400-I404 PolarHBondContact O-N 3.05Å; F400-I404 VanDerWaalsContact O-N 3.09Å; F400-I459 HydrophobicContact CD2-CD1 4.03Å; F400-I459 HydrophobicContact CE2-CD1 3.61Å; F400-L461 HydrophobicContact CE2-CD2 4.24Å
401	T	98.9	Very high	98.2	Very high	5 Å²	5	8.8 Å²	8.8	3%	0.031	4%	0.039	C	C	.	.	H	α-helix	trans	-56.7	-43.1	170.6	-57	0	0	0	0	111.8	F218 L353 L397 H398 I404 F405	F218-T401 HydrophobicContact CE1-CG2 3.83Å; F218-T401 HydrophobicContact CZ-CG2 3.83Å; L353-T401 HydrophobicContact CD1-CG2 4.14Å; L353-T401 HydrophobicContact CD2-CG2 3.97Å; L353-T401 HydrophobicContact CG-CG2 3.98Å; L397-T401 PolarHBondContact O-N 2.85Å; L397-T401 PolarHBondContact O-OG1 3.02Å; H398-T401 WeakPolarHBondContact O-CB 3.38Å; H398-T401 PolarHBondContact O-N 3.25Å; T401-I404 PolarHBondContact O-N 2.84Å; T401-F405 PolarHBondContact O-N 2.82Å
402	D	98.9	Very high	98	Very high	7 Å²	7	11.8 Å²	11.8	4%	0.037	5%	0.052	C	C	.	.	H	α-helix	trans	-66.1	-34.4	175.8	-177.2	38.9	0	0	0	112.6	R129 R223 L226 H398 F400 F405 D406 Y455 Y457	R129-D402 IonicContact NH1-OD2 2.83Å; R129-D402 PolarHBondContact NH1-OD2 3.49Å; R129-D402 VanDerWaalsContact NH1-OD2 3.08Å; R223-D402 IonicContact CZ-OD1 2.78Å; R223-D402 IonicContact NE-OD1 2.81Å; R223-D402 PolarHBondContact NE-OD1 3.3Å; R223-D402 IonicContact NH2-OD1 3.77Å; R223-D402 PolarHBondContact NH2-OD1 3.32Å; L226-D402 HydrophobicContact CD1-CB 4.16Å; H398-D402 WeakPolarHBondContact O-CB 3.33Å; H398-D402 PolarHBondContact O-N 2.86Å; F400-D402 VanDerWaalsContact C-N 3.29Å; F400-D402 PolarHBondContact O-N 2.8Å; D402-F405 PolarHBondContact O-N 3.49Å; D402-D406 WeakPolarHBondContact O-CB 3.46Å; D402-D406 PolarHBondContact O-N 3.15Å; D402-Y455 WeakPolarHBondContact OD2-CE2 3.18Å; D402-Y455 PolarHBondContact OD2-OH 3.46Å; D402-Y457 WeakPolarHBondContact CB-OH 3.14Å; D402-Y457 PolarHBondContact OD2-OH 2.94Å
403	A	98.8	Very high	97.8	Very high	2 Å²	2	16.2 Å²	16.2	2%	0.017	8%	0.083	C	C	.	.	H	α-helix	trans	-64.3	-39.6	172.8	0	0	0	0	0	112.6	S399 F400 E407 Y457	S399-A403 PolarHBondContact O-N 3.24Å; F400-A403 HydrophobicContact CD2-CB 4.42Å; F400-A403 WeakPolarHBondContact O-CB 3.37Å; F400-A403 PolarHBondContact O-N 2.83Å; F400-A403 VanDerWaalsContact O-N 3.15Å; A403-E407 WeakPolarHBondContact O-CB 3.4Å; A403-E407 PolarHBondContact O-N 2.9Å; A403-Y457 HydrophobicContact CB-CD1 3.64Å; A403-Y457 HydrophobicContact CB-CD2 3.79Å; A403-Y457 HydrophobicContact CB-CE1 3.7Å; A403-Y457 HydrophobicContact CB-CE2 3.86Å; A403-Y457 HydrophobicContact CB-CG 3.68Å
404	I	98.8	Very high	97.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-68.8	-39.3	176.4	-57.6	155.5	0	0	0	110.3	F249 I327 L331 F349 L353 F400 T401 W408 L461	F249-I404 HydrophobicContact CZ-CD1 4.49Å; I327-I404 HydrophobicContact CD1-CD1 3.5Å; I327-I404 HydrophobicContact CD1-CG1 4.16Å; L331-I404 HydrophobicContact CD2-CG2 3.84Å; L331-I404 WeakPolarHBondContact CD2-O 3.32Å; L331-I404 HydrophobicContact CG-CG2 4.12Å; F349-I404 HydrophobicContact CE2-CG2 4.29Å; F349-I404 HydrophobicContact CZ-CG2 4.27Å; L353-I404 HydrophobicContact CD1-CB 3.94Å; L353-I404 HydrophobicContact CD1-CD1 3.79Å; L353-I404 HydrophobicContact CD1-CG1 4.5Å; L353-I404 HydrophobicContact CD1-CG2 3.76Å; L353-I404 HydrophobicContact CD2-CG2 4.5Å; F400-I404 HydrophobicContact CD1-CD1 4.12Å; F400-I404 HydrophobicContact CE1-CD1 3.92Å; F400-I404 HydrophobicContact CE2-CD1 4.46Å; F400-I404 HydrophobicContact CE2-CG1 4.32Å; F400-I404 HydrophobicContact CG-CD1 4.49Å; F400-I404 HydrophobicContact CZ-CD1 4.09Å; F400-I404 HydrophobicContact CZ-CG1 4.32Å; F400-I404 WeakPolarHBondContact O-CG1 3.4Å; F400-I404 PolarHBondContact O-N 3.05Å; F400-I404 VanDerWaalsContact O-N 3.09Å; T401-I404 PolarHBondContact O-N 2.84Å; I404-W408 PolarHBondContact O-N 2.71Å; I404-L461 HydrophobicContact CG1-CD1 4.3Å
405	F	98.6	Very high	97.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-43.4	174.5	171.5	-135.7	0	0	0	112.6	V219 F336 F349 L353 T401 D402 W408 M409 F447	V219-F405 HydrophobicContact CB-CB 4.34Å; V219-F405 HydrophobicContact CB-CD1 3.54Å; V219-F405 HydrophobicContact CB-CD2 4.14Å; V219-F405 HydrophobicContact CB-CE1 3.78Å; V219-F405 HydrophobicContact CB-CE2 4.37Å; V219-F405 HydrophobicContact CB-CG 3.74Å; V219-F405 HydrophobicContact CB-CZ 4.22Å; V219-F405 HydrophobicContact CG1-CB 4.27Å; V219-F405 HydrophobicContact CG1-CD1 4.35Å; V219-F405 HydrophobicContact CG1-CD2 4.32Å; V219-F405 HydrophobicContact CG1-CG 4.06Å; V219-F405 HydrophobicContact CG2-CD1 3.83Å; V219-F405 HydrophobicContact CG2-CD2 3.97Å; V219-F405 HydrophobicContact CG2-CE1 3.56Å; V219-F405 HydrophobicContact CG2-CE2 3.73Å; V219-F405 HydrophobicContact CG2-CG 4.04Å; V219-F405 HydrophobicContact CG2-CZ 3.53Å; F336-F405 HydrophobicContact CE2-CE2 4.15Å; F349-F405 HydrophobicContact CE1-CB 4.48Å; F349-F405 HydrophobicContact CE1-CD2 4.01Å; L353-F405 HydrophobicContact CD2-CB 4.23Å; T401-F405 PolarHBondContact O-N 2.82Å; D402-F405 PolarHBondContact O-N 3.49Å; F405-W408 HydrophobicContact CD2-CE3 4.1Å; F405-W408 HydrophobicContact CE2-CE3 4.03Å; F405-W408 HydrophobicContact CE2-CZ3 4.24Å; F405-W408 WeakPolarHBondContact O-CB 3.44Å; F405-W408 PolarHBondContact O-N 3.38Å; F405-M409 HydrophobicContact CD2-CG 3.93Å; F405-M409 HydrophobicContact CE2-CG 3.45Å; F405-M409 VanDerWaalsContact CE2-CG 3.45Å; F405-M409 HydrophobicContact CE2-SD 3.55Å; F405-M409 VanDerWaalsContact CE2-SD 3.55Å; F405-M409 HydrophobicContact CZ-CG 3.78Å; F405-M409 HydrophobicContact CZ-SD 3.82Å; F405-M409 WeakPolarHBondContact O-CG 3.34Å; F405-M409 PolarHBondContact O-N 3.12Å; F405-F447 HydrophobicContact CE2-CD2 4.13Å; F405-F447 AromaticContact CE2-CE2 3.73Å; F405-F447 HydrophobicContact CE2-CE2 3.73Å; F405-F447 AromaticContact CZ-CD2 3.61Å; F405-F447 HydrophobicContact CZ-CD2 3.61Å; F405-F447 AromaticContact CZ-CE2 3.71Å; F405-F447 HydrophobicContact CZ-CE2 3.71Å
406	D	98.4	Very high	96.2	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-62.6	-42.2	175.9	179.5	57.5	0	0	0	113	D402 W408 M409 K410 V450	D402-D406 WeakPolarHBondContact O-CB 3.46Å; D402-D406 PolarHBondContact O-N 3.15Å; D406-W408 VanDerWaalsContact C-N 3.32Å; D406-W408 PolarHBondContact O-N 3.5Å; D406-M409 WeakPolarHBondContact O-CB 2.98Å; D406-M409 PolarHBondContact O-N 3.22Å; D406-K410 WeakPolarHBondContact O-CG 3.44Å; D406-K410 PolarHBondContact O-N 3.36Å; D406-K410 IonicContact OD1-NZ 3.81Å; D406-K410 WeakPolarHBondContact OD2-CE 3.21Å; D406-K410 IonicContact OD2-NZ 2.94Å; D406-K410 PolarHBondContact OD2-NZ 2.81Å; D406-V450 HydrophobicContact CB-CG1 3.69Å; D406-V450 HydrophobicContact CB-CG2 4.35Å; D406-V450 VanDerWaalsContact CG-CG1 3.49Å; D406-V450 WeakPolarHBondContact OD1-CG1 3.33Å; D406-V450 WeakPolarHBondContact OD1-CG2 3.39Å; D406-V450 PolarHBondContact OD1-N 3.17Å; D406-V450 WeakPolarHBondContact OD2-CG2 3.46Å
407	E	98.1	Very high	95.6	Very high	26 Å²	26	32.4 Å²	32.4	12%	0.121	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-40.8	174	-179.6	63	-164.2	0	0	111.8	L331 A403 K410 R411 L461	L331-E407 HydrophobicContact CD1-CG 3.96Å; L331-E407 HydrophobicContact CD2-CB 4.21Å; L331-E407 HydrophobicContact CD2-CG 4.05Å; A403-E407 WeakPolarHBondContact O-CB 3.4Å; A403-E407 PolarHBondContact O-N 2.9Å; E407-K410 PolarHBondContact O-N 2.85Å; E407-R411 WeakPolarHBondContact O-CG 3.47Å; E407-R411 PolarHBondContact O-N 2.96Å; E407-R411 VanDerWaalsContact O-N 3.07Å; E407-R411 IonicContact OE1-CZ 3.19Å; E407-R411 IonicContact OE1-NE 2.82Å; E407-R411 PolarHBondContact OE1-NE 2.59Å; E407-R411 IonicContact OE1-NH2 2.7Å; E407-R411 PolarHBondContact OE1-NH2 2.9Å; E407-L461 HydrophobicContact CB-CD1 3.82Å; E407-L461 HydrophobicContact CG-CB 3.98Å; E407-L461 HydrophobicContact CG-CD1 4Å
408	W	97.6	Very high	95.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-45.1	173.1	178.7	91.3	0	0	0	112.2	L331 L333 F336 F349 I404 F405 D406 K410 R411 F412 P414 F447	L331-W408 HydrophobicContact CD2-CB 3.96Å; L333-W408 PolarHBondContact O-NE1 3.25Å; F336-W408 HydrophobicContact CB-CH2 3.49Å; F336-W408 VanDerWaalsContact CB-CH2 3.49Å; F336-W408 HydrophobicContact CB-CZ2 3.8Å; F336-W408 HydrophobicContact CB-CZ3 4.27Å; F336-W408 HydrophobicContact CD2-CE3 4.31Å; F336-W408 AromaticContact CD2-CH2 3.8Å; F336-W408 HydrophobicContact CD2-CH2 3.8Å; F336-W408 HydrophobicContact CD2-CZ2 4.36Å; F336-W408 AromaticContact CD2-CZ3 3.72Å; F336-W408 HydrophobicContact CD2-CZ3 3.72Å; F336-W408 HydrophobicContact CG-CH2 4.02Å; F336-W408 HydrophobicContact CG-CZ3 4.33Å; F349-W408 HydrophobicContact CD1-CB 4.38Å; F349-W408 AromaticContact CD1-CD1 3.88Å; F349-W408 AromaticContact CD1-CD2 3.71Å; F349-W408 HydrophobicContact CD1-CD2 3.71Å; F349-W408 HydrophobicContact CD1-CE3 4.19Å; F349-W408 AromaticContact CD1-CG 3.73Å; F349-W408 HydrophobicContact CD1-CG 3.73Å; F349-W408 HydrophobicContact CD2-CB 4.27Å; F349-W408 AromaticContact CD2-CD1 3.29Å; F349-W408 HydrophobicContact CD2-CD2 4.49Å; F349-W408 AromaticContact CD2-CG 3.77Å; F349-W408 HydrophobicContact CD2-CG 3.77Å; F349-W408 AromaticContact CD2-NE1 3.83Å; F349-W408 HydrophobicContact CE1-CB 3.81Å; F349-W408 AromaticContact CE1-CD2 3.89Å; F349-W408 HydrophobicContact CE1-CD2 3.89Å; F349-W408 HydrophobicContact CE1-CE3 4.22Å; F349-W408 AromaticContact CE1-CG 3.66Å; F349-W408 HydrophobicContact CE1-CG 3.66Å; F349-W408 HydrophobicContact CE2-CB 3.66Å; F349-W408 AromaticContact CE2-CD1 3.59Å; F349-W408 AromaticContact CE2-CG 3.68Å; F349-W408 HydrophobicContact CE2-CG 3.68Å; F349-W408 AromaticContact CG-CD1 3.44Å; F349-W408 VanDerWaalsContact CG-CD1 3.44Å; F349-W408 HydrophobicContact CG-CD2 4.03Å; F349-W408 AromaticContact CG-CE2 3.99Å; F349-W408 AromaticContact CG-CG 3.78Å; F349-W408 HydrophobicContact CG-CG 3.78Å; F349-W408 AromaticContact CG-NE1 3.54Å; F349-W408 HydrophobicContact CZ-CB 3.39Å; F349-W408 HydrophobicContact CZ-CD2 4.34Å; F349-W408 AromaticContact CZ-CG 3.61Å; F349-W408 HydrophobicContact CZ-CG 3.61Å; I404-W408 PolarHBondContact O-N 2.71Å; F405-W408 HydrophobicContact CD2-CE3 4.1Å; F405-W408 HydrophobicContact CE2-CE3 4.03Å; F405-W408 HydrophobicContact CE2-CZ3 4.24Å; F405-W408 WeakPolarHBondContact O-CB 3.44Å; F405-W408 PolarHBondContact O-N 3.38Å; D406-W408 VanDerWaalsContact C-N 3.32Å; D406-W408 PolarHBondContact O-N 3.5Å; W408-K410 VanDerWaalsContact C-N 3.27Å; W408-K410 PolarHBondContact O-N 2.95Å; W408-R411 PolarHBondContact O-N 3.47Å; W408-F412 AromaticContact CD1-CD2 3.4Å; W408-F412 VanDerWaalsContact CD1-CD2 3.4Å; W408-F412 AromaticContact CD1-CE2 3.49Å; W408-F412 VanDerWaalsContact CD1-CE2 3.49Å; W408-F412 HydrophobicContact CD2-CD2 4.17Å; W408-F412 AromaticContact CE2-CD2 3.71Å; W408-F412 AromaticContact CG-CD2 3.94Å; W408-F412 HydrophobicContact CG-CD2 3.94Å; W408-F412 HydrophobicContact CG-CE2 4.36Å; W408-F412 HydrophobicContact CZ2-CB 4.38Å; W408-F412 HydrophobicContact CZ2-CD2 4.36Å; W408-F412 AromaticContact NE1-CD2 3.25Å; W408-F412 VanDerWaalsContact NE1-CD2 3.25Å; W408-F412 AromaticContact NE1-CE2 3.54Å; W408-F412 WeakPolarHBondContact O-CD2 3.4Å; W408-F412 PolarHBondContact O-N 3.17Å; W408-P414 HydrophobicContact CH2-CB 3.64Å; W408-P414 HydrophobicContact CH2-CG 3.66Å; W408-P414 HydrophobicContact CZ3-CB 4.2Å; W408-P414 HydrophobicContact CZ3-CG 3.67Å; W408-F447 HydrophobicContact CH2-CZ 4.26Å; W408-F447 HydrophobicContact CZ3-CE2 4.38Å; W408-F447 AromaticContact CZ3-CZ 3.88Å; W408-F447 HydrophobicContact CZ3-CZ 3.88Å
409	M	96.6	Very high	95	Very high	12 Å²	12	33.4 Å²	33.4	6%	0.059	18%	0.183	C	C	.	.	H	α-helix	trans	-57.1	-41.2	175.1	-73.2	-67.2	-63.4	0	0	111.7	F405 D406 S413 P414 F447 T449	F405-M409 HydrophobicContact CD2-CG 3.93Å; F405-M409 HydrophobicContact CE2-CG 3.45Å; F405-M409 VanDerWaalsContact CE2-CG 3.45Å; F405-M409 HydrophobicContact CE2-SD 3.55Å; F405-M409 VanDerWaalsContact CE2-SD 3.55Å; F405-M409 HydrophobicContact CZ-CG 3.78Å; F405-M409 HydrophobicContact CZ-SD 3.82Å; F405-M409 WeakPolarHBondContact O-CG 3.34Å; F405-M409 PolarHBondContact O-N 3.12Å; D406-M409 WeakPolarHBondContact O-CB 2.98Å; D406-M409 PolarHBondContact O-N 3.22Å; M409-S413 WeakPolarHBondContact O-CA 3.06Å; M409-S413 PolarHBondContact O-N 3.36Å; M409-P414 HydrophobicContact CE-CG 3.91Å; M409-P414 HydrophobicContact SD-CG 3.67Å; M409-F447 HydrophobicContact CE-CD1 4.1Å; M409-F447 HydrophobicContact CE-CE1 4.22Å; M409-F447 HydrophobicContact CE-CG 4.37Å; M409-F447 VanDerWaalsContact CE-O 3.26Å; M409-F447 WeakPolarHBondContact CE-O 3.3Å; M409-F447 HydrophobicContact SD-CD1 4.32Å; M409-F447 HydrophobicContact SD-CD2 4.24Å; M409-F447 HydrophobicContact SD-CE1 4.02Å; M409-F447 HydrophobicContact SD-CE2 3.91Å; M409-F447 HydrophobicContact SD-CG 4.44Å; M409-F447 HydrophobicContact SD-CZ 3.81Å; M409-T449 HydrophobicContact CB-CG2 4.25Å
410	K	95.6	Very high	94.8	Very high	73 Å²	73	34 Å²	34	32%	0.317	19%	0.187	S	C	.	.	H	α-helix	trans	-67.1	-42.5	179.4	-75.5	164.8	174.3	172.3	0	112.9	D406 E407 W408 T449 E451	D406-K410 WeakPolarHBondContact O-CG 3.44Å; D406-K410 PolarHBondContact O-N 3.36Å; D406-K410 IonicContact OD1-NZ 3.81Å; D406-K410 WeakPolarHBondContact OD2-CE 3.21Å; D406-K410 IonicContact OD2-NZ 2.94Å; D406-K410 PolarHBondContact OD2-NZ 2.81Å; E407-K410 PolarHBondContact O-N 2.85Å; W408-K410 VanDerWaalsContact C-N 3.27Å; W408-K410 PolarHBondContact O-N 2.95Å; K410-T449 HydrophobicContact CG-CG2 4.15Å; K410-E451 WeakPolarHBondContact CE-OE1 3.34Å; K410-E451 WeakPolarHBondContact CE-OE2 3.4Å; K410-E451 IonicContact NZ-OE1 3.87Å; K410-E451 PolarHBondContact NZ-OE1 3.11Å; K410-E451 IonicContact NZ-OE2 2.84Å
411	R	94.6	Very high	94.7	Very high	52 Å²	52	39.4 Å²	39.4	20%	0.196	21%	0.212	C	C	.	.	H	α-helix	trans	-66.2	-51.1	178.9	-71.8	173.3	-166.7	-155.2	0.7	112.4	E407 W408 L461 P462	E407-R411 WeakPolarHBondContact O-CG 3.47Å; E407-R411 PolarHBondContact O-N 2.96Å; E407-R411 VanDerWaalsContact O-N 3.07Å; E407-R411 IonicContact OE1-CZ 3.19Å; E407-R411 IonicContact OE1-NE 2.82Å; E407-R411 PolarHBondContact OE1-NE 2.59Å; E407-R411 IonicContact OE1-NH2 2.7Å; E407-R411 PolarHBondContact OE1-NH2 2.9Å; W408-R411 PolarHBondContact O-N 3.47Å; R411-L461 PolarHBondContact NH2-O 3.16Å; R411-P462 VanDerWaalsContact CZ-O 3.24Å; R411-P462 PolarHBondContact NH1-O 3.46Å; R411-P462 VanDerWaalsContact NH2-C 3.32Å; R411-P462 PolarHBondContact NH2-O 3.07Å
412	F	94.3	Very high	94.5	Very high	63 Å²	63	43.3 Å²	43.3	28%	0.276	23%	0.23	S	C	.	.	H	α-helix	trans	-94	-20.7	-168.8	-64.6	-69.4	0	0	0	113.9	Q334 W408 P414	Q334-F412 HydrophobicContact CB-CD1 4.16Å; Q334-F412 HydrophobicContact CB-CE1 3.78Å; Q334-F412 HydrophobicContact CB-CZ 4.25Å; Q334-F412 HydrophobicContact CG-CD1 3.8Å; Q334-F412 HydrophobicContact CG-CE1 3.87Å; W408-F412 AromaticContact CD1-CD2 3.4Å; W408-F412 VanDerWaalsContact CD1-CD2 3.4Å; W408-F412 AromaticContact CD1-CE2 3.49Å; W408-F412 VanDerWaalsContact CD1-CE2 3.49Å; W408-F412 HydrophobicContact CD2-CD2 4.17Å; W408-F412 AromaticContact CE2-CD2 3.71Å; W408-F412 AromaticContact CG-CD2 3.94Å; W408-F412 HydrophobicContact CG-CD2 3.94Å; W408-F412 HydrophobicContact CG-CE2 4.36Å; W408-F412 HydrophobicContact CZ2-CB 4.38Å; W408-F412 HydrophobicContact CZ2-CD2 4.36Å; W408-F412 AromaticContact NE1-CD2 3.25Å; W408-F412 VanDerWaalsContact NE1-CD2 3.25Å; W408-F412 AromaticContact NE1-CE2 3.54Å; W408-F412 WeakPolarHBondContact O-CD2 3.4Å; W408-F412 PolarHBondContact O-N 3.17Å; F412-P414 VanDerWaalsContact C-N 3.31Å
413	S	93.8	Very high	94.4	Very high	93 Å²	93	46.8 Å²	46.8	65%	0.65	25%	0.248	S	C	*	.			trans	42.1	57.2	-176.3	-66.3	0	0	0	0	111.4	M409	M409-S413 WeakPolarHBondContact O-CA 3.06Å; M409-S413 PolarHBondContact O-N 3.36Å
414	P	93.1	Very high	94.4	Very high	22 Å²	22	46.7 Å²	46.7	14%	0.143	25%	0.247	C	C	.	.			trans	-60.8	144.4	-161.3	27.7	-39.3	0	0	0	112.2	W408 M409 F412 A418 F447	W408-P414 HydrophobicContact CH2-CB 3.64Å; W408-P414 HydrophobicContact CH2-CG 3.66Å; W408-P414 HydrophobicContact CZ3-CB 4.2Å; W408-P414 HydrophobicContact CZ3-CG 3.67Å; M409-P414 HydrophobicContact CE-CG 3.91Å; M409-P414 HydrophobicContact SD-CG 3.67Å; F412-P414 VanDerWaalsContact C-N 3.31Å; P414-A418 HydrophobicContact CB-CB 3.89Å; P414-F447 HydrophobicContact CB-CE1 4.24Å; P414-F447 HydrophobicContact CG-CE1 3.62Å; P414-F447 HydrophobicContact CG-CZ 3.94Å
415	P	89.3	Confident	94.3	Very high	79 Å²	79	47.1 Å²	47.1	51%	0.513	25%	0.25	S	C	.	.			trans	-68.6	155.2	174.2	32	-36.7	0	0	0	111.1	N417 A418	P415-N417 WeakPolarHBondContact CB-OD1 3.06Å; P415-N417 VanDerWaalsContact CG-OD1 3.26Å; P415-N417 WeakPolarHBondContact CG-OD1 3.32Å; P415-N417 PolarHBondContact O-N 2.89Å; P415-A418 HydrophobicContact CG-CB 4.46Å; P415-A418 WeakPolarHBondContact O-CB 3.15Å; P415-A418 PolarHBondContact O-N 3.21Å
416	D	80.6	Confident	94.3	Very high	112 Å²	112	47.3 Å²	47.3	60%	0.599	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-41.1	-35.9	173.2	-87.1	56.6	0	0	0	115.7	R430	D416-R430 PolarHBondContact O-NH1 2.99Å; D416-R430 IonicContact OD2-CZ 3.44Å; D416-R430 IonicContact OD2-NH1 3.26Å; D416-R430 PolarHBondContact OD2-NH1 2.87Å; D416-R430 IonicContact OD2-NH2 2.74Å; D416-R430 PolarHBondContact OD2-NH2 3.25Å
417	N	86.2	Confident	94.3	Very high	129 Å²	129	47.1 Å²	47.1	69%	0.69	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-88.5	4.7	-178.1	71.2	-34.8	0	0	0	114.5	P415 W419	P415-N417 WeakPolarHBondContact CB-OD1 3.06Å; P415-N417 VanDerWaalsContact CG-OD1 3.26Å; P415-N417 WeakPolarHBondContact CG-OD1 3.32Å; P415-N417 PolarHBondContact O-N 2.89Å; N417-W419 PolarHBondContact O-N 3Å
418	A	91	Very high	94.3	Very high	18 Å²	18	46 Å²	46	15%	0.149	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-67.3	-15.9	170.5	0	0	0	0	0	112.6	F336 P414 P415	F336-A418 HydrophobicContact CB-CB 4.25Å; P414-A418 HydrophobicContact CB-CB 3.89Å; P415-A418 HydrophobicContact CG-CB 4.46Å; P415-A418 WeakPolarHBondContact O-CB 3.15Å; P415-A418 PolarHBondContact O-N 3.21Å
419	W	94.8	Very high	94.3	Very high	5 Å²	5	46 Å²	46	2%	0.019	25%	0.245	C	C	.	.	S	Bend	trans	-108.5	133.3	175.2	-163.2	-61.2	0	0	0	110.9	P216 A217 V219 T220 F336 N417 E421 H428 R430 N443 F447	P216-W419 HydrophobicContact CB-CD2 4.11Å; P216-W419 VanDerWaalsContact CB-CE2 3.42Å; P216-W419 HydrophobicContact CB-CH2 4.07Å; P216-W419 HydrophobicContact CB-CZ2 3.43Å; P216-W419 VanDerWaalsContact CB-CZ2 3.43Å; P216-W419 WeakPolarHBondContact O-CH2 3.23Å; A217-W419 HydrophobicContact CB-CZ2 4.3Å; A217-W419 VanDerWaalsContact N-CZ2 3.29Å; V219-W419 HydrophobicContact CG2-CZ3 4.26Å; T220-W419 HydrophobicContact CG2-CH2 3.62Å; T220-W419 HydrophobicContact CG2-CZ3 3.67Å; T220-W419 VanDerWaalsContact OG1-CH2 3.24Å; T220-W419 WeakPolarHBondContact OG1-CH2 3.45Å; F336-W419 HydrophobicContact CD1-CD2 4.47Å; F336-W419 AromaticContact CD1-CE3 3.93Å; F336-W419 HydrophobicContact CD1-CE3 3.93Å; F336-W419 HydrophobicContact CD1-CZ3 4.44Å; F336-W419 AromaticContact CE1-CD2 3.83Å; F336-W419 HydrophobicContact CE1-CD2 3.83Å; F336-W419 AromaticContact CE1-CE3 3.21Å; F336-W419 HydrophobicContact CE1-CE3 3.21Å; F336-W419 HydrophobicContact CE1-CH2 4.15Å; F336-W419 AromaticContact CE1-CZ3 3.38Å; F336-W419 HydrophobicContact CE1-CZ3 3.38Å; F336-W419 HydrophobicContact CE2-CZ3 4.36Å; F336-W419 AromaticContact CZ-CE3 3.67Å; F336-W419 HydrophobicContact CZ-CE3 3.67Å; F336-W419 HydrophobicContact CZ-CH2 4.07Å; F336-W419 AromaticContact CZ-CZ3 3.33Å; F336-W419 HydrophobicContact CZ-CZ3 3.33Å; N417-W419 PolarHBondContact O-N 3Å; W419-E421 PolarHBondContact O-N 2.03Å; W419-H428 PolarHBondContact NE1-O 2.96Å; W419-R430 HydrophobicContact CB-CB 4.38Å; W419-R430 HydrophobicContact CB-CG 4.23Å; W419-R430 VanDerWaalsContact CD1-CB 3.45Å; W419-R430 HydrophobicContact CG-CB 4.03Å; W419-R430 HydrophobicContact CG-CG 4.15Å; W419-N443 HydrophobicContact CH2-CB 4.02Å; W419-N443 HydrophobicContact CZ2-CB 3.55Å; W419-F447 AromaticContact CE3-CD2 3.37Å; W419-F447 HydrophobicContact CE3-CD2 3.37Å; W419-F447 AromaticContact CE3-CE2 3.45Å; W419-F447 HydrophobicContact CE3-CE2 3.45Å; W419-F447 VanDerWaalsContact CE3-CE2 3.45Å; W419-F447 AromaticContact CE3-CG 3.97Å; W419-F447 HydrophobicContact CE3-CG 3.97Å; W419-F447 HydrophobicContact CE3-CZ 4.09Å; W419-F447 AromaticContact CZ3-CD2 3.36Å; W419-F447 HydrophobicContact CZ3-CD2 3.36Å; W419-F447 AromaticContact CZ3-CE2 3.6Å; W419-F447 HydrophobicContact CZ3-CE2 3.6Å; W419-F447 HydrophobicContact CZ3-CG 4.26Å
420	P	94.7	Very high	94.4	Very high	13 Å²	13	46.9 Å²	46.9	8%	0.084	25%	0.248	C	C	.	.			trans	-64.4	121.4	176.9	25.8	-35.9	0	0	0	113.5	P216 F341 E422 A424 R430	P216-P420 HydrophobicContact CB-CG 4.43Å; P216-P420 HydrophobicContact CG-CG 3.7Å; F341-P420 HydrophobicContact CB-CG 4.42Å; F341-P420 HydrophobicContact CD1-CB 4.31Å; F341-P420 HydrophobicContact CD1-CG 3.77Å; F341-P420 HydrophobicContact CD2-CB 3.95Å; F341-P420 HydrophobicContact CD2-CG 4.04Å; F341-P420 HydrophobicContact CE1-CB 4.11Å; F341-P420 HydrophobicContact CE1-CG 3.95Å; F341-P420 HydrophobicContact CE2-CB 3.73Å; F341-P420 HydrophobicContact CE2-CG 4.21Å; F341-P420 HydrophobicContact CG-CB 4.24Å; F341-P420 HydrophobicContact CG-CG 3.81Å; F341-P420 HydrophobicContact CZ-CB 3.81Å; F341-P420 HydrophobicContact CZ-CG 4.16Å; P420-E422 VanDerWaalsContact C-N 3.3Å; P420-A424 HydrophobicContact CB-CB 4.37Å; P420-A424 HydrophobicContact CG-CB 3.86Å; P420-R430 PolarHBondContact O-N 3.4Å
421	E	95.6	Very high	94.5	Very high	112 Å²	112	47.7 Å²	47.7	52%	0.523	26%	0.255	S	S	.	.	S	Bend	trans	-69.4	-29.8	170.8	-64.6	-173.4	175.1	0	0	112.4	W419	W419-E421 PolarHBondContact O-N 2.03Å
422	E	96.4	Very high	94.6	Very high	88 Å²	88	45.5 Å²	45.5	41%	0.411	25%	0.247	S	C	.	.	S	Bend	trans	-141.8	169.4	179.1	65.5	165.5	-164.9	0	0	111.8	Q71 P72 P420 A424 N429	Q71-E422 HydrophobicContact CB-CB 3.81Å; Q71-E422 HydrophobicContact CG-CB 4.34Å; P72-E422 WeakPolarHBondContact CD-OE2 3.36Å; P72-E422 HydrophobicContact CG-CB 4.21Å; P72-E422 VanDerWaalsContact CG-OE2 3.29Å; P72-E422 WeakPolarHBondContact CG-OE2 3.26Å; P420-E422 VanDerWaalsContact C-N 3.3Å; E422-A424 PolarHBondContact O-N 2.92Å; E422-A424 VanDerWaalsContact O-N 3.08Å; E422-N429 WeakPolarHBondContact CA-OD1 3.47Å
423	L	96.5	Very high	94.8	Very high	80 Å²	80	42.9 Å²	42.9	42%	0.419	24%	0.236	S	C	.	.	S	Bend	trans	61	13.4	174.3	-55.1	176	0	0	0	115.6	P72 S74 N429	P72-L423 HydrophobicContact CB-CD2 4.02Å; P72-L423 HydrophobicContact CG-CD2 3.96Å; P72-L423 PolarHBondContact O-N 2.74Å; S74-L423 WeakPolarHBondContact CB-O 3.45Å; S74-L423 PolarHBondContact OG-O 2.77Å; L423-N429 PolarHBondContact N-OD1 3.22Å
424	A	97.6	Very high	95.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-69.9	167.6	157.9	0	0	0	0	0	110	W73 S74 P216 F341 P420 E422 H428 N429	W73-A424 CarbonylContact C-O 3.27Å; W73-A424 VanDerWaalsContact CA-O 3.23Å; W73-A424 WeakPolarHBondContact CA-O 3.44Å; W73-A424 VanDerWaalsContact CB-O 3.28Å; W73-A424 WeakPolarHBondContact CB-O 3.26Å; S74-A424 PolarHBondContact N-O 3.21Å; P216-A424 HydrophobicContact CG-CB 4.25Å; F341-A424 HydrophobicContact CB-CB 4.3Å; P420-A424 HydrophobicContact CB-CB 4.37Å; P420-A424 HydrophobicContact CG-CB 3.86Å; E422-A424 PolarHBondContact O-N 2.92Å; E422-A424 VanDerWaalsContact O-N 3.08Å; A424-H428 HydrophobicContact CB-CB 3.79Å; A424-N429 VanDerWaalsContact CB-OD1 3.32Å; A424-N429 WeakPolarHBondContact CB-OD1 3.48Å; A424-N429 PolarHBondContact N-OD1 3.43Å; A424-N429 VanDerWaalsContact N-OD1 3.12Å
425	P	98.1	Very high	95.3	Very high	8 Å²	8	37.5 Å²	37.5	5%	0.052	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-54.6	154.7	166.9	-22.6	32.1	0	0	0	111.6	F341 F342 G427 H428	F341-P425 WeakPolarHBondContact O-CD 3.44Å; F341-P425 VanDerWaalsContact O-CG 3.3Å; F341-P425 WeakPolarHBondContact O-CG 3.49Å; F342-P425 HydrophobicContact CB-CG 4.45Å; F342-P425 HydrophobicContact CD2-CB 4.43Å; F342-P425 HydrophobicContact CD2-CG 3.64Å; F342-P425 HydrophobicContact CE2-CG 4.42Å; F342-P425 HydrophobicContact CG-CG 4.48Å; P425-G427 PolarHBondContact O-N 3.1Å; P425-H428 WeakPolarHBondContact O-CB 3.12Å; P425-H428 PolarHBondContact O-N 3.19Å
426	I	98	Very high	95.8	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	127.3	179.9	-171.3	177.3	0	0	0	110.9	W73 Y77 E86 I209 F211 H428 Y432	W73-I426 HydrophobicContact CB-CB 4.31Å; W73-I426 HydrophobicContact CD2-CB 4.07Å; W73-I426 HydrophobicContact CD2-CD1 4.28Å; W73-I426 HydrophobicContact CD2-CG1 4.03Å; W73-I426 HydrophobicContact CE3-CG1 4.41Å; W73-I426 HydrophobicContact CG-CB 3.82Å; W73-I426 HydrophobicContact CG-CG1 4.28Å; W73-I426 HydrophobicContact CH2-CD1 4.04Å; W73-I426 HydrophobicContact CZ2-CD1 3.67Å; W73-I426 HydrophobicContact CZ2-CG1 4.33Å; Y77-I426 HydrophobicContact CD1-CB 4.21Å; Y77-I426 HydrophobicContact CD1-CD1 3.69Å; Y77-I426 HydrophobicContact CD1-CG2 3.78Å; Y77-I426 HydrophobicContact CE1-CD1 3.61Å; Y77-I426 HydrophobicContact CG-CG2 4.05Å; E86-I426 HydrophobicContact CG-CD1 3.81Å; I209-I426 HydrophobicContact CD1-CG2 4.18Å; I209-I426 HydrophobicContact CG1-CG2 3.98Å; F211-I426 HydrophobicContact CE1-CD1 4.11Å; F211-I426 HydrophobicContact CE1-CG1 3.82Å; F211-I426 HydrophobicContact CE1-CG2 4.43Å; F211-I426 HydrophobicContact CZ-CD1 3.86Å; F211-I426 HydrophobicContact CZ-CG1 4.01Å; F211-I426 HydrophobicContact CZ-CG2 4.16Å; I426-H428 PolarHBondContact O-CD2 2.93Å; I426-H428 VanDerWaalsContact O-CD2 3.32Å; I426-Y432 HydrophobicContact CG1-CE2 4.33Å
427	G	97.8	Very high	96.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-19.8	-173.5	0	0	0	0	0	115.4	P425 Y432 N443	P425-G427 PolarHBondContact O-N 3.1Å; G427-Y432 WeakPolarHBondContact O-CB 3.49Å; G427-N443 PolarHBondContact O-ND2 3.12Å
428	H	98.5	Very high	97.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	11%	0.113	C	C	.	.			trans	-102.6	-2.4	-169.7	-60.1	-104.7	0	0	0	114.9	D210 H213 G215 P216 A217 W419 A424 P425 I426	D210-H428 PolarHBondContact O-NE2 3.16Å; H213-H428 PolarHBondContact O-CE1 3.13Å; H213-H428 PolarHBondContact O-NE2 3.33Å; G215-H428 WeakPolarHBondContact CA-ND1 3.13Å; G215-H428 PolarHBondContact O-ND1 2.73Å; G215-H428 VanDerWaalsContact O-ND1 3.09Å; P216-H428 HydrophobicContact CB-CB 4.26Å; P216-H428 HydrophobicContact CG-CB 4.29Å; A217-H428 HydrophobicContact CB-CB 4.24Å; A217-H428 WeakPolarHBondContact CB-ND1 3.48Å; A217-H428 PolarHBondContact N-ND1 3.2Å; A217-H428 VanDerWaalsContact N-ND1 3.17Å; W419-H428 PolarHBondContact NE1-O 2.96Å; A424-H428 HydrophobicContact CB-CB 3.79Å; P425-H428 WeakPolarHBondContact O-CB 3.12Å; P425-H428 PolarHBondContact O-N 3.19Å; I426-H428 PolarHBondContact O-CD2 2.93Å; I426-H428 VanDerWaalsContact O-CD2 3.32Å
429	N	97.9	Very high	97.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.113	C	C	.	.	S	Bend	trans	-61.8	148.6	171.1	-73	-11.1	0	0	0	110.7	D69 P72 E422 L423 A424 L431 Y432 N443	D69-N429 WeakPolarHBondContact OD2-CB 3.42Å; D69-N429 PolarHBondContact OD2-ND2 3.47Å; P72-N429 PolarHBondContact O-ND2 3.41Å; P72-N429 VanDerWaalsContact O-ND2 3.16Å; E422-N429 WeakPolarHBondContact CA-OD1 3.47Å; L423-N429 PolarHBondContact N-OD1 3.22Å; A424-N429 VanDerWaalsContact CB-OD1 3.32Å; A424-N429 WeakPolarHBondContact CB-OD1 3.48Å; A424-N429 PolarHBondContact N-OD1 3.43Å; A424-N429 VanDerWaalsContact N-OD1 3.12Å; N429-L431 VanDerWaalsContact C-N 3.27Å; N429-L431 PolarHBondContact O-N 3.3Å; N429-L431 VanDerWaalsContact O-N 3.16Å; N429-Y432 WeakPolarHBondContact O-CB 3.45Å; N429-Y432 PolarHBondContact O-N 3.39Å; N429-N443 PolarHBondContact O-ND2 2.9Å
430	R	97.3	Very high	97.4	Very high	31 Å²	31	23.8 Å²	23.8	12%	0.117	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-41.9	-174.5	-172.7	177.5	169.4	-165.3	-1.4	113.9	D416 W419 P420 N443 D444	D416-R430 PolarHBondContact O-NH1 2.99Å; D416-R430 IonicContact OD2-CZ 3.44Å; D416-R430 IonicContact OD2-NH1 3.26Å; D416-R430 PolarHBondContact OD2-NH1 2.87Å; D416-R430 IonicContact OD2-NH2 2.74Å; D416-R430 PolarHBondContact OD2-NH2 3.25Å; W419-R430 HydrophobicContact CB-CB 4.38Å; W419-R430 HydrophobicContact CB-CG 4.23Å; W419-R430 VanDerWaalsContact CD1-CB 3.45Å; W419-R430 HydrophobicContact CG-CB 4.03Å; W419-R430 HydrophobicContact CG-CG 4.15Å; P420-R430 PolarHBondContact O-N 3.4Å; R430-N443 WeakPolarHBondContact O-CB 3.5Å; R430-D444 HydrophobicContact CG-CB 4.09Å; R430-D444 IonicContact CZ-OD1 3.16Å; R430-D444 IonicContact NE-OD1 3.68Å; R430-D444 PolarHBondContact NE-OD1 3.02Å; R430-D444 IonicContact NH2-OD1 2.72Å; R430-D444 PolarHBondContact NH2-OD1 2.77Å; R430-D444 PolarHBondContact O-N 3.37Å; R430-D444 VanDerWaalsContact O-N 3.08Å
431	L	97.5	Very high	97.5	Very high	90 Å²	90	23.4 Å²	23.4	47%	0.471	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	8.2	-176	-57.7	-179.3	0	0	0	113.6	N429 T442 D444	N429-L431 VanDerWaalsContact C-N 3.27Å; N429-L431 PolarHBondContact O-N 3.3Å; N429-L431 VanDerWaalsContact O-N 3.16Å; L431-T442 VanDerWaalsContact O-CG2 3.28Å; L431-T442 WeakPolarHBondContact O-CG2 3.41Å; L431-D444 HydrophobicContact CD2-CB 4.12Å
432	Y	98.5	Very high	97.6	Very high	5 Å²	5	18.9 Å²	18.9	2%	0.02	10%	0.099	C	C	.	.			trans	-69.6	134.8	177.6	-152.3	-77.9	0	0	0	110.6	D69 R85 E86 Q87 W88 F211 I426 G427 N429 M434 V435 T442 N443	D69-Y432 HydrophobicContact CB-CD2 3.91Å; D69-Y432 HydrophobicContact CB-CG 4.35Å; R85-Y432 PolarHBondContact O-OH 3.4Å; E86-Y432 WeakPolarHBondContact CA-OH 3.32Å; Q87-Y432 PolarHBondContact N-OH 2.75Å; W88-Y432 HydrophobicContact CB-CE1 4.37Å; F211-Y432 HydrophobicContact CD1-CE1 4.27Å; F211-Y432 HydrophobicContact CE1-CE1 4.12Å; I426-Y432 HydrophobicContact CG1-CE2 4.33Å; G427-Y432 WeakPolarHBondContact O-CB 3.49Å; N429-Y432 WeakPolarHBondContact O-CB 3.45Å; N429-Y432 PolarHBondContact O-N 3.39Å; Y432-M434 PolarHBondContact O-N 2.81Å; Y432-V435 HydrophobicContact CD1-CG2 4.45Å; Y432-V435 HydrophobicContact CE1-CG2 3.82Å; Y432-T442 WeakPolarHBondContact O-CA 3.12Å; Y432-N443 PolarHBondContact O-N 3.16Å
433	N	98.6	Very high	97.7	Very high	9 Å²	9	14.7 Å²	14.7	5%	0.048	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-72.2	112.6	174.3	-67.6	-43.9	0	0	0	109.6	H67 W88 V435 P440 V441 T442	H67-N433 PolarHBondContact O-ND2 2.92Å; W88-N433 WeakPolarHBondContact O-CB 3.24Å; W88-N433 PolarHBondContact O-ND2 2.97Å; N433-V435 WeakPolarHBondContact O-CG2 3.32Å; N433-V435 PolarHBondContact O-N 2.77Å; N433-P440 HydrophobicContact CB-CB 4.25Å; N433-V441 CarbonylContact C-O 2.96Å; N433-V441 VanDerWaalsContact CA-O 3.31Å; N433-V441 WeakPolarHBondContact CA-O 3.45Å; N433-T442 WeakPolarHBondContact OD1-CG2 3.48Å
434	M	98.7	Very high	97.7	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	7%	0.072	C	C	.	.			trans	-57.8	123.7	-174.9	-69.3	-175.9	-60.4	0	0	111.4	T220 W221 Y224 Y432 F437 V441 N443 L446	T220-M434 VanDerWaalsContact C-SD 3.54Å; W221-M434 VanDerWaalsContact CA-SD 3.59Å; W221-M434 HydrophobicContact CB-SD 4.22Å; Y224-M434 HydrophobicContact CG-CE 4.14Å; Y432-M434 PolarHBondContact O-N 2.81Å; M434-F437 HydrophobicContact CB-CD2 3.56Å; M434-F437 HydrophobicContact CB-CE2 3.91Å; M434-F437 HydrophobicContact CE-CD2 4.4Å; M434-F437 WeakPolarHBondContact O-CD2 3.29Å; M434-F437 PolarHBondContact O-N 2.81Å; M434-V441 HydrophobicContact CE-CG1 3.95Å; M434-V441 HydrophobicContact CE-CG2 3.94Å; M434-V441 PolarHBondContact N-O 3.31Å; M434-N443 WeakPolarHBondContact CG-OD1 3.25Å; M434-N443 PolarHBondContact SD-OD1 2.99Å; M434-L446 HydrophobicContact CE-CD2 3.58Å; M434-L446 HydrophobicContact CE-CG 4.04Å
435	V	98.6	Very high	97.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	132.3	-166.8	-179.6	0	0	0	0	111.2	R85 W88 Y193 S194 F211 W221 Y432 N433	R85-V435 HydrophobicContact CB-CG1 3.79Å; R85-V435 HydrophobicContact CB-CG2 4.42Å; R85-V435 HydrophobicContact CG-CG1 3.5Å; W88-V435 HydrophobicContact CB-CG2 3.66Å; W88-V435 HydrophobicContact CD2-CG1 4.29Å; W88-V435 HydrophobicContact CE3-CG1 4.25Å; W88-V435 HydrophobicContact CG-CB 4.49Å; W88-V435 HydrophobicContact CG-CG2 3.92Å; Y193-V435 HydrophobicContact CD1-CG1 4.16Å; Y193-V435 HydrophobicContact CE1-CG1 4.04Å; S194-V435 WeakPolarHBondContact CB-O 3.46Å; F211-V435 HydrophobicContact CB-CB 4.08Å; F211-V435 HydrophobicContact CB-CG2 4.39Å; F211-V435 HydrophobicContact CD1-CB 4.02Å; F211-V435 HydrophobicContact CD1-CG2 3.45Å; F211-V435 VanDerWaalsContact CD1-CG2 3.45Å; F211-V435 HydrophobicContact CE1-CG2 3.93Å; F211-V435 HydrophobicContact CG-CB 4.14Å; F211-V435 HydrophobicContact CG-CG2 4.08Å; W221-V435 PolarHBondContact NE1-O 3.36Å; Y432-V435 HydrophobicContact CD1-CG2 4.45Å; Y432-V435 HydrophobicContact CE1-CG2 3.82Å; N433-V435 WeakPolarHBondContact O-CG2 3.32Å; N433-V435 PolarHBondContact O-N 2.77Å
436	P	98.1	Very high	97.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	cis	-107.1	39.7	1.1	40.1	-34.1	0	0	0	113	Q26 W88 W189 L190 Y193 F438	Q26-P436 HydrophobicContact CG-CB 4.15Å; Q26-P436 HydrophobicContact CG-CG 4.29Å; Q26-P436 PolarHBondContact NE2-O 3.4Å; W88-P436 VanDerWaalsContact CE2-CA 3.48Å; W88-P436 HydrophobicContact CH2-CB 3.51Å; W88-P436 VanDerWaalsContact CZ2-CA 3.43Å; W88-P436 HydrophobicContact CZ2-CB 3.55Å; W88-P436 WeakPolarHBondContact CZ2-O 3.35Å; W88-P436 HydrophobicContact CZ3-CB 4.05Å; W189-P436 HydrophobicContact CZ3-CG 4.09Å; L190-P436 HydrophobicContact CD2-CG 3.87Å; L190-P436 WeakPolarHBondContact O-CD 3.32Å; Y193-P436 HydrophobicContact CD1-CB 3.41Å; Y193-P436 VanDerWaalsContact CD1-CB 3.41Å; Y193-P436 HydrophobicContact CD1-CG 3.56Å; Y193-P436 HydrophobicContact CE1-CB 3.56Å; Y193-P436 HydrophobicContact CE1-CG 4.24Å; Y193-P436 HydrophobicContact CG-CB 4.36Å; Y193-P436 HydrophobicContact CG-CG 4.15Å; P436-F438 PolarHBondContact O-N 3.2Å
437	F	98.4	Very high	97.5	Very high	1 Å²	1	19.2 Å²	19.2	0%	0.004	10%	0.099	C	C	.	.			trans	-63.9	141.4	-174.8	-58	-55.8	0	0	0	111.6	W88 L190 W221 Y224 H225 L228 M434 V441	W88-F437 PolarHBondContact NE1-O 3.12Å; L190-F437 HydrophobicContact CB-CE1 4.48Å; L190-F437 HydrophobicContact CD1-CD1 4.37Å; L190-F437 HydrophobicContact CD1-CE1 4.06Å; L190-F437 HydrophobicContact CD2-CD1 3.88Å; L190-F437 HydrophobicContact CD2-CE1 4.09Å; L190-F437 HydrophobicContact CG-CE1 4.46Å; W221-F437 AromaticContact CD1-CE2 3.72Å; W221-F437 AromaticContact CD2-CE2 3.91Å; W221-F437 HydrophobicContact CD2-CE2 3.91Å; W221-F437 AromaticContact CD2-CZ 3.81Å; W221-F437 HydrophobicContact CD2-CZ 3.81Å; W221-F437 AromaticContact CE2-CE2 3.62Å; W221-F437 AromaticContact CE2-CZ 3.46Å; W221-F437 VanDerWaalsContact CE2-CZ 3.46Å; W221-F437 HydrophobicContact CE3-CZ 4.27Å; W221-F437 AromaticContact CG-CE2 3.92Å; W221-F437 HydrophobicContact CG-CE2 3.92Å; W221-F437 HydrophobicContact CG-CZ 4.31Å; W221-F437 AromaticContact CH2-CZ 4Å; W221-F437 HydrophobicContact CH2-CZ 4Å; W221-F437 HydrophobicContact CZ2-CE1 4.15Å; W221-F437 HydrophobicContact CZ2-CE2 4.16Å; W221-F437 AromaticContact CZ2-CZ 3.56Å; W221-F437 HydrophobicContact CZ2-CZ 3.56Å; W221-F437 HydrophobicContact CZ3-CZ 4.35Å; W221-F437 AromaticContact NE1-CE2 3.53Å; W221-F437 AromaticContact NE1-CZ 3.86Å; Y224-F437 HydrophobicContact CD1-CB 4.03Å; Y224-F437 AromaticContact CD1-CD1 3.66Å; Y224-F437 HydrophobicContact CD1-CD1 3.66Å; Y224-F437 AromaticContact CD1-CD2 3.5Å; Y224-F437 HydrophobicContact CD1-CD2 3.5Å; Y224-F437 VanDerWaalsContact CD1-CD2 3.5Å; Y224-F437 AromaticContact CD1-CE1 3.93Å; Y224-F437 HydrophobicContact CD1-CE1 3.93Å; Y224-F437 AromaticContact CD1-CE2 3.78Å; Y224-F437 HydrophobicContact CD1-CE2 3.78Å; Y224-F437 AromaticContact CD1-CG 3.45Å; Y224-F437 HydrophobicContact CD1-CG 3.45Å; Y224-F437 VanDerWaalsContact CD1-CG 3.45Å; Y224-F437 AromaticContact CD1-CZ 3.99Å; Y224-F437 HydrophobicContact CD1-CZ 3.99Å; Y224-F437 HydrophobicContact CE1-CB 3.75Å; Y224-F437 AromaticContact CE1-CD1 3.93Å; Y224-F437 HydrophobicContact CE1-CD1 3.93Å; Y224-F437 HydrophobicContact CE1-CD2 4.12Å; Y224-F437 AromaticContact CE1-CG 3.67Å; Y224-F437 HydrophobicContact CE1-CG 3.67Å; Y224-F437 HydrophobicContact CG-CD2 4.35Å; Y224-F437 HydrophobicContact CG-CE2 4.39Å; H225-F437 HydrophobicContact CB-CE1 4.44Å; H225-F437 HydrophobicContact CB-CZ 4.02Å; L228-F437 HydrophobicContact CD1-CD1 3.59Å; L228-F437 HydrophobicContact CD1-CE1 3.88Å; M434-F437 HydrophobicContact CB-CD2 3.56Å; M434-F437 HydrophobicContact CB-CE2 3.91Å; M434-F437 HydrophobicContact CE-CD2 4.4Å; M434-F437 WeakPolarHBondContact O-CD2 3.29Å; M434-F437 PolarHBondContact O-N 2.81Å; F437-V441 HydrophobicContact CB-CG1 3.67Å; F437-V441 HydrophobicContact CD2-CG1 4.18Å; F437-V441 HydrophobicContact CG-CG1 4.32Å
438	F	96.8	Very high	97.4	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.013	11%	0.112	C	C	.	.	S	Bend	trans	-137.8	139.3	176.1	-163.5	-85.5	0	0	0	110.4	F27 P28 C42 P89 Y158 P436 P440	F27-F438 HydrophobicContact CD1-CB 4.02Å; F27-F438 HydrophobicContact CD1-CD1 4.4Å; F27-F438 AromaticContact CD1-CD2 3.47Å; F27-F438 HydrophobicContact CD1-CD2 3.47Å; F27-F438 VanDerWaalsContact CD1-CD2 3.47Å; F27-F438 HydrophobicContact CD1-CE2 4.01Å; F27-F438 AromaticContact CD1-CG 3.68Å; F27-F438 HydrophobicContact CD1-CG 3.68Å; F27-F438 HydrophobicContact CE1-CB 4.47Å; F27-F438 AromaticContact CE1-CD2 3.67Å; F27-F438 HydrophobicContact CE1-CD2 3.67Å; F27-F438 HydrophobicContact CE1-CE2 4.25Å; F27-F438 HydrophobicContact CE1-CG 4.24Å; P28-F438 HydrophobicContact CG-CD1 3.81Å; P28-F438 HydrophobicContact CG-CE1 4.04Å; C42-F438 HydrophobicContact CB-CE1 4.16Å; C42-F438 HydrophobicContact CB-CZ 3.69Å; C42-F438 WeakPolarHBondContact SG-CE1 3.38Å; C42-F438 VanDerWaalsContact SG-CZ 3.51Å; P89-F438 HydrophobicContact CG-CD2 4.44Å; P89-F438 HydrophobicContact CG-CE2 4.27Å; Y158-F438 PolarHBondContact OH-O 3.44Å; Y158-F438 VanDerWaalsContact OH-O 3.09Å; P436-F438 PolarHBondContact O-N 3.2Å; F438-P440 HydrophobicContact CD2-CG 4.46Å; F438-P440 HydrophobicContact CE2-CG 4.32Å
439	P	95.6	Very high	97.3	Very high	21 Å²	21	23.2 Å²	23.2	14%	0.136	12%	0.12	C	C	.	.	S	Bend	cis	-60.5	161.4	-5.9	28.1	-35.6	0	0	0	112.7	V441	P439-V441 PolarHBondContact O-N 2.97Å
440	P	96.8	Very high	97.3	Very high	29 Å²	29	23.1 Å²	23.1	19%	0.188	12%	0.12	C	C	.	.			trans	-58	135	-173.4	-24.2	34.8	0	0	0	112.5	V66 P89 N433 F438	V66-P440 HydrophobicContact CG1-CB 4.21Å; V66-P440 HydrophobicContact CG1-CG 3.74Å; V66-P440 HydrophobicContact CG2-CG 4.37Å; P89-P440 HydrophobicContact CG-CG 4.01Å; N433-P440 HydrophobicContact CB-CB 4.25Å; F438-P440 HydrophobicContact CD2-CG 4.46Å; F438-P440 HydrophobicContact CE2-CG 4.32Å
441	V	96.8	Very high	97.2	Very high	6 Å²	6	24.7 Å²	24.7	4%	0.036	13%	0.129	C	C	.	.			trans	-141	130.1	-175.4	56.1	0	0	0	0	108.5	Y224 N433 M434 F437 P439 Q445 L446	Y224-V441 HydrophobicContact CD1-CG1 4.06Å; Y224-V441 HydrophobicContact CD2-CG2 4.17Å; Y224-V441 HydrophobicContact CE1-CG1 3.74Å; Y224-V441 HydrophobicContact CE2-CB 4.44Å; Y224-V441 HydrophobicContact CE2-CG1 4.25Å; Y224-V441 HydrophobicContact CE2-CG2 3.91Å; Y224-V441 HydrophobicContact CG-CG1 4.44Å; N433-V441 CarbonylContact C-O 2.96Å; N433-V441 VanDerWaalsContact CA-O 3.31Å; N433-V441 WeakPolarHBondContact CA-O 3.45Å; M434-V441 HydrophobicContact CE-CG1 3.95Å; M434-V441 HydrophobicContact CE-CG2 3.94Å; M434-V441 PolarHBondContact N-O 3.31Å; F437-V441 HydrophobicContact CB-CG1 3.67Å; F437-V441 HydrophobicContact CD2-CG1 4.18Å; F437-V441 HydrophobicContact CG-CG1 4.32Å; P439-V441 PolarHBondContact O-N 2.97Å; V441-Q445 HydrophobicContact CG2-CB 4.31Å; V441-L446 HydrophobicContact CG2-CD2 3.45Å; V441-L446 VanDerWaalsContact CG2-CD2 3.45Å
442	T	97.9	Very high	97.1	Very high	17 Å²	17	24.8 Å²	24.8	10%	0.104	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-91.7	159.9	-175.7	58.6	0	0	0	0	112.2	L431 Y432 N433 D444 Q445	L431-T442 VanDerWaalsContact O-CG2 3.28Å; L431-T442 WeakPolarHBondContact O-CG2 3.41Å; Y432-T442 WeakPolarHBondContact O-CA 3.12Å; N433-T442 WeakPolarHBondContact OD1-CG2 3.48Å; T442-D444 VanDerWaalsContact C-N 3.26Å; T442-D444 PolarHBondContact O-N 3.08Å; T442-Q445 PolarHBondContact O-N 3.39Å; T442-Q445 WeakPolarHBondContact OG1-CG 3.01Å
443	N	98.1	Very high	97	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-54.4	-45.6	171.6	-68	-58.1	0	0	0	111.3	A217 T220 W419 G427 N429 R430 Y432 M434 Q445 L446 F447	A217-N443 WeakPolarHBondContact CB-OD1 3.05Å; T220-N443 HydrophobicContact CG2-CB 4.43Å; T220-N443 WeakPolarHBondContact CG2-O 3.25Å; T220-N443 PolarHBondContact OG1-OD1 3.34Å; W419-N443 HydrophobicContact CH2-CB 4.02Å; W419-N443 HydrophobicContact CZ2-CB 3.55Å; G427-N443 PolarHBondContact O-ND2 3.12Å; N429-N443 PolarHBondContact O-ND2 2.9Å; R430-N443 WeakPolarHBondContact O-CB 3.5Å; Y432-N443 PolarHBondContact O-N 3.16Å; M434-N443 WeakPolarHBondContact CG-OD1 3.25Å; M434-N443 PolarHBondContact SD-OD1 2.99Å; N443-Q445 VanDerWaalsContact C-N 3.27Å; N443-Q445 PolarHBondContact O-N 3.43Å; N443-L446 PolarHBondContact O-N 2.9Å; N443-F447 PolarHBondContact O-N 2.83Å
444	D	96.5	Very high	96.9	Very high	50 Å²	50	25.2 Å²	25.2	27%	0.267	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-47.1	-43.5	176	-173.5	63.5	0	0	0	114.3	R430 L431 T442 L446 F447	R430-D444 HydrophobicContact CG-CB 4.09Å; R430-D444 IonicContact CZ-OD1 3.16Å; R430-D444 IonicContact NE-OD1 3.68Å; R430-D444 PolarHBondContact NE-OD1 3.02Å; R430-D444 IonicContact NH2-OD1 2.72Å; R430-D444 PolarHBondContact NH2-OD1 2.77Å; R430-D444 PolarHBondContact O-N 3.37Å; R430-D444 VanDerWaalsContact O-N 3.08Å; L431-D444 HydrophobicContact CD2-CB 4.12Å; T442-D444 VanDerWaalsContact C-N 3.26Å; T442-D444 PolarHBondContact O-N 3.08Å; D444-L446 PolarHBondContact O-N 3.39Å; D444-L446 VanDerWaalsContact O-N 3.08Å; D444-F447 PolarHBondContact O-N 2.86Å
445	Q	95.7	Very high	96.9	Very high	106 Å²	106	25.2 Å²	25.2	50%	0.495	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-66.7	-12.8	-178.4	-71.3	171.7	18	0	0	114	V441 T442 N443	V441-Q445 HydrophobicContact CG2-CB 4.31Å; T442-Q445 PolarHBondContact O-N 3.39Å; T442-Q445 WeakPolarHBondContact OG1-CG 3.01Å; N443-Q445 VanDerWaalsContact C-N 3.27Å; N443-Q445 PolarHBondContact O-N 3.43Å
446	L	96.8	Very high	96.9	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.026	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-115.3	-3.1	179.3	-77.8	-54.5	0	0	0	113.5	T220 R223 Y224 L227 M434 V441 N443 D444 L448 L453	T220-L446 HydrophobicContact CG2-CB 4.03Å; R223-L446 WeakPolarHBondContact CD-O 3.31Å; R223-L446 HydrophobicContact CG-CD1 4.23Å; R223-L446 PolarHBondContact NH1-O 3.04Å; R223-L446 VanDerWaalsContact NH1-O 3.09Å; Y224-L446 HydrophobicContact CD2-CD1 4.07Å; Y224-L446 HydrophobicContact CD2-CD2 3.79Å; Y224-L446 HydrophobicContact CD2-CG 4.06Å; Y224-L446 HydrophobicContact CE2-CD2 4.46Å; Y224-L446 HydrophobicContact CG-CD2 4.44Å; L227-L446 HydrophobicContact CD1-CD1 4.02Å; M434-L446 HydrophobicContact CE-CD2 3.58Å; M434-L446 HydrophobicContact CE-CG 4.04Å; V441-L446 HydrophobicContact CG2-CD2 3.45Å; V441-L446 VanDerWaalsContact CG2-CD2 3.45Å; N443-L446 PolarHBondContact O-N 2.9Å; D444-L446 PolarHBondContact O-N 3.39Å; D444-L446 VanDerWaalsContact O-N 3.08Å; L446-L448 PolarHBondContact O-N 2.76Å; L446-L453 HydrophobicContact CD1-CD1 3.93Å; L446-L453 HydrophobicContact CD1-CD2 3.99Å
447	F	96.6	Very high	96.9	Very high	25 Å²	25	27.9 Å²	27.9	11%	0.11	15%	0.145	C	C	.	.			trans	-80.9	53.7	175.7	-157.3	-110.3	0	0	0	111.4	T220 F336 F405 W408 M409 P414 W419 N443 D444	T220-F447 HydrophobicContact CG2-CB 4.28Å; T220-F447 HydrophobicContact CG2-CD2 4.17Å; F336-F447 HydrophobicContact CD1-CE2 4.23Å; F336-F447 HydrophobicContact CD1-CZ 4.19Å; F336-F447 AromaticContact CD2-CE2 3.82Å; F336-F447 HydrophobicContact CD2-CE2 3.82Å; F336-F447 AromaticContact CD2-CZ 3.94Å; F336-F447 HydrophobicContact CD2-CZ 3.94Å; F336-F447 HydrophobicContact CE1-CE2 4.11Å; F336-F447 AromaticContact CE2-CE2 3.7Å; F336-F447 HydrophobicContact CE2-CE2 3.7Å; F336-F447 HydrophobicContact CE2-CZ 4.3Å; F336-F447 HydrophobicContact CG-CE2 4.1Å; F336-F447 AromaticContact CG-CZ 3.91Å; F336-F447 HydrophobicContact CG-CZ 3.91Å; F336-F447 AromaticContact CZ-CE2 3.85Å; F336-F447 HydrophobicContact CZ-CE2 3.85Å; F405-F447 HydrophobicContact CE2-CD2 4.13Å; F405-F447 AromaticContact CE2-CE2 3.73Å; F405-F447 HydrophobicContact CE2-CE2 3.73Å; F405-F447 AromaticContact CZ-CD2 3.61Å; F405-F447 HydrophobicContact CZ-CD2 3.61Å; F405-F447 AromaticContact CZ-CE2 3.71Å; F405-F447 HydrophobicContact CZ-CE2 3.71Å; W408-F447 HydrophobicContact CH2-CZ 4.26Å; W408-F447 HydrophobicContact CZ3-CE2 4.38Å; W408-F447 AromaticContact CZ3-CZ 3.88Å; W408-F447 HydrophobicContact CZ3-CZ 3.88Å; M409-F447 HydrophobicContact CE-CD1 4.1Å; M409-F447 HydrophobicContact CE-CE1 4.22Å; M409-F447 HydrophobicContact CE-CG 4.37Å; M409-F447 VanDerWaalsContact CE-O 3.26Å; M409-F447 WeakPolarHBondContact CE-O 3.3Å; M409-F447 HydrophobicContact SD-CD1 4.32Å; M409-F447 HydrophobicContact SD-CD2 4.24Å; M409-F447 HydrophobicContact SD-CE1 4.02Å; M409-F447 HydrophobicContact SD-CE2 3.91Å; M409-F447 HydrophobicContact SD-CG 4.44Å; M409-F447 HydrophobicContact SD-CZ 3.81Å; P414-F447 HydrophobicContact CB-CE1 4.24Å; P414-F447 HydrophobicContact CG-CE1 3.62Å; P414-F447 HydrophobicContact CG-CZ 3.94Å; W419-F447 AromaticContact CE3-CD2 3.37Å; W419-F447 HydrophobicContact CE3-CD2 3.37Å; W419-F447 AromaticContact CE3-CE2 3.45Å; W419-F447 HydrophobicContact CE3-CE2 3.45Å; W419-F447 VanDerWaalsContact CE3-CE2 3.45Å; W419-F447 AromaticContact CE3-CG 3.97Å; W419-F447 HydrophobicContact CE3-CG 3.97Å; W419-F447 HydrophobicContact CE3-CZ 4.09Å; W419-F447 AromaticContact CZ3-CD2 3.36Å; W419-F447 HydrophobicContact CZ3-CD2 3.36Å; W419-F447 AromaticContact CZ3-CE2 3.6Å; W419-F447 HydrophobicContact CZ3-CE2 3.6Å; W419-F447 HydrophobicContact CZ3-CG 4.26Å; N443-F447 PolarHBondContact O-N 2.83Å; D444-F447 PolarHBondContact O-N 2.86Å
448	L	95.4	Very high	96.9	Very high	57 Å²	57	30.3 Å²	30.3	30%	0.298	17%	0.165	S	C	.	.	S	Bend	trans	-124.2	174.7	-175	-59.3	176.8	0	0	0	110.4	R223 L446 Q452 L453	R223-L448 PolarHBondContact NH1-O 2.75Å; L446-L448 PolarHBondContact O-N 2.76Å; L448-Q452 HydrophobicContact CB-CB 4.36Å; L448-Q452 HydrophobicContact CD1-CB 4.47Å; L448-L453 HydrophobicContact CD1-CD2 4.27Å
449	T	97	Very high	96.8	Very high	29 Å²	29	32.5 Å²	32.5	18%	0.178	18%	0.176	C	C	.	.			trans	-81.3	151.9	164.5	71.1	0	0	0	0	110.3	M409 K410 E451 Q452	M409-T449 HydrophobicContact CB-CG2 4.25Å; K410-T449 HydrophobicContact CG-CG2 4.15Å; T449-E451 WeakPolarHBondContact CB-OE2 3.3Å; T449-E451 PolarHBondContact O-N 3.41Å; T449-E451 PolarHBondContact OG1-OE2 3.03Å; T449-Q452 WeakPolarHBondContact O-CB 3.43Å; T449-Q452 PolarHBondContact O-N 3.4Å; T449-Q452 PolarHBondContact OG1-NE2 3.34Å; T449-Q452 VanDerWaalsContact OG1-NE2 3.15Å
450	V	97.4	Very high	96.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.9	-172.6	-61	0	0	0	0	113.8	D406 Q452 L453 G454 Y455 Y457	D406-V450 HydrophobicContact CB-CG1 3.69Å; D406-V450 HydrophobicContact CB-CG2 4.35Å; D406-V450 VanDerWaalsContact CG-CG1 3.49Å; D406-V450 WeakPolarHBondContact OD1-CG1 3.33Å; D406-V450 WeakPolarHBondContact OD1-CG2 3.39Å; D406-V450 PolarHBondContact OD1-N 3.17Å; D406-V450 WeakPolarHBondContact OD2-CG2 3.46Å; V450-Q452 PolarHBondContact O-N 2.94Å; V450-L453 CarbonylContact O-C 3.57Å; V450-L453 WeakPolarHBondContact O-CA 3.46Å; V450-L453 WeakPolarHBondContact O-CB 3.49Å; V450-L453 PolarHBondContact O-N 3.17Å; V450-G454 PolarHBondContact O-N 2.69Å; V450-Y455 CarbonylContact C-O 3.59Å; V450-Y455 HydrophobicContact CB-CD1 4.01Å; V450-Y455 HydrophobicContact CB-CD2 3.84Å; V450-Y455 HydrophobicContact CB-CE1 3.74Å; V450-Y455 HydrophobicContact CB-CE2 3.57Å; V450-Y455 HydrophobicContact CB-CG 4.07Å; V450-Y455 HydrophobicContact CG1-CD2 4.19Å; V450-Y455 HydrophobicContact CG1-CE1 3.89Å; V450-Y455 HydrophobicContact CG1-CE2 3.41Å; V450-Y455 VanDerWaalsContact CG1-CE2 3.41Å; V450-Y455 WeakPolarHBondContact CG1-OH 3.28Å; V450-Y455 HydrophobicContact CG2-CD2 4.33Å; V450-Y455 HydrophobicContact CG2-CE2 4.34Å; V450-Y455 WeakPolarHBondContact CG2-O 3.17Å; V450-Y455 PolarHBondContact O-N 3.45Å; V450-Y455 VanDerWaalsContact O-O 3.08Å; V450-Y457 HydrophobicContact CG1-CE2 4.39Å; V450-Y457 HydrophobicContact CG2-CD2 4.43Å
451	E	95.3	Very high	96.3	Very high	63 Å²	63	35.8 Å²	35.8	29%	0.294	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.6	173.7	-66.5	71.4	-154.9	0	0	111.6	R123 K410 T449 L453 G454 Y455 T456	R123-E451 PolarHBondContact NH2-O 3.32Å; K410-E451 WeakPolarHBondContact CE-OE1 3.34Å; K410-E451 WeakPolarHBondContact CE-OE2 3.4Å; K410-E451 IonicContact NZ-OE1 3.87Å; K410-E451 PolarHBondContact NZ-OE1 3.11Å; K410-E451 IonicContact NZ-OE2 2.84Å; T449-E451 WeakPolarHBondContact CB-OE2 3.3Å; T449-E451 PolarHBondContact O-N 3.41Å; T449-E451 PolarHBondContact OG1-OE2 3.03Å; E451-L453 VanDerWaalsContact C-N 3.26Å; E451-L453 PolarHBondContact O-N 3.33Å; E451-G454 PolarHBondContact O-N 2.83Å; E451-Y455 PolarHBondContact N-O 2.03Å; E451-T456 HydrophobicContact CG-CG2 4.06Å
452	Q	95.4	Very high	95.6	Very high	93 Å²	93	36.3 Å²	36.3	44%	0.435	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-36.3	178	-61.4	177.4	66.3	0	0	110.3	R123 L448 T449 V450 G454	R123-Q452 PolarHBondContact NH1-O 3Å; L448-Q452 HydrophobicContact CB-CB 4.36Å; L448-Q452 HydrophobicContact CD1-CB 4.47Å; T449-Q452 WeakPolarHBondContact O-CB 3.43Å; T449-Q452 PolarHBondContact O-N 3.4Å; T449-Q452 PolarHBondContact OG1-NE2 3.34Å; T449-Q452 VanDerWaalsContact OG1-NE2 3.15Å; V450-Q452 PolarHBondContact O-N 2.94Å; Q452-G454 VanDerWaalsContact C-N 3.33Å
453	L	97.1	Very high	94	Very high	16 Å²	16	36.1 Å²	36.1	8%	0.084	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-1.8	176.6	-56.6	171.8	0	0	0	113.5	F113 G114 R223 L227 L446 L448 V450 E451 Y455	F113-L453 CarbonylContact C-O 3.44Å; F113-L453 VanDerWaalsContact C-O 3.26Å; F113-L453 VanDerWaalsContact CB-O 3.25Å; F113-L453 WeakPolarHBondContact CB-O 3.42Å; G114-L453 PolarHBondContact N-O 3.27Å; G114-L453 VanDerWaalsContact N-O 3.15Å; R223-L453 HydrophobicContact CG-CD1 4.3Å; L227-L453 HydrophobicContact CD1-CB 4.49Å; L227-L453 HydrophobicContact CD1-CD1 4.12Å; L446-L453 HydrophobicContact CD1-CD1 3.93Å; L446-L453 HydrophobicContact CD1-CD2 3.99Å; L448-L453 HydrophobicContact CD1-CD2 4.27Å; V450-L453 CarbonylContact O-C 3.57Å; V450-L453 WeakPolarHBondContact O-CA 3.46Å; V450-L453 WeakPolarHBondContact O-CB 3.49Å; V450-L453 PolarHBondContact O-N 3.17Å; E451-L453 VanDerWaalsContact C-N 3.26Å; E451-L453 PolarHBondContact O-N 3.33Å; L453-Y455 HydrophobicContact CB-CD1 3.98Å; L453-Y455 HydrophobicContact CB-CE1 3.7Å; L453-Y455 HydrophobicContact CD1-CE1 4.16Å
454	G	96.6	Very high	92.1	Very high	7 Å²	7	37.6 Å²	37.6	7%	0.072	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	28.3	171.7	0	0	0	0	0	116.2	G114 P126 V127 V450 E451 Q452	G114-G454 VanDerWaalsContact CA-CA 3.48Å; P126-G454 VanDerWaalsContact CA-O 3.3Å; P126-G454 WeakPolarHBondContact CA-O 3.27Å; V127-G454 PolarHBondContact N-O 2.94Å; V450-G454 PolarHBondContact O-N 2.69Å; E451-G454 PolarHBondContact O-N 2.83Å; Q452-G454 VanDerWaalsContact C-N 3.33Å
455	Y	98.3	Very high	90	Very high	1 Å²	1	38 Å²	38	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	169.8	167.7	65.9	-75.7	0	0	0	110.4	V127 R129 R223 L227 D402 V450 E451 L453 Y457	V127-Y455 CarbonylContact O-C 3.22Å; V127-Y455 VanDerWaalsContact O-CA 3.24Å; V127-Y455 WeakPolarHBondContact O-CA 3.43Å; V127-Y455 WeakPolarHBondContact O-CB 3.42Å; R129-Y455 HydrophobicContact CG-CD2 4.25Å; R223-Y455 PolarHBondContact NE-OH 3.28Å; L227-Y455 HydrophobicContact CD1-CE1 4.16Å; L227-Y455 HydrophobicContact CD2-CD1 3.86Å; L227-Y455 HydrophobicContact CD2-CE1 3.65Å; L227-Y455 HydrophobicContact CG-CE1 4.16Å; D402-Y455 WeakPolarHBondContact OD2-CE2 3.18Å; D402-Y455 PolarHBondContact OD2-OH 3.46Å; V450-Y455 CarbonylContact C-O 3.59Å; V450-Y455 HydrophobicContact CB-CD1 4.01Å; V450-Y455 HydrophobicContact CB-CD2 3.84Å; V450-Y455 HydrophobicContact CB-CE1 3.74Å; V450-Y455 HydrophobicContact CB-CE2 3.57Å; V450-Y455 HydrophobicContact CB-CG 4.07Å; V450-Y455 HydrophobicContact CG1-CD2 4.19Å; V450-Y455 HydrophobicContact CG1-CE1 3.89Å; V450-Y455 HydrophobicContact CG1-CE2 3.41Å; V450-Y455 VanDerWaalsContact CG1-CE2 3.41Å; V450-Y455 WeakPolarHBondContact CG1-OH 3.28Å; V450-Y455 HydrophobicContact CG2-CD2 4.33Å; V450-Y455 HydrophobicContact CG2-CE2 4.34Å; V450-Y455 WeakPolarHBondContact CG2-O 3.17Å; V450-Y455 PolarHBondContact O-N 3.45Å; V450-Y455 VanDerWaalsContact O-O 3.08Å; E451-Y455 PolarHBondContact N-O 2.03Å; L453-Y455 HydrophobicContact CB-CD1 3.98Å; L453-Y455 HydrophobicContact CB-CE1 3.7Å; L453-Y455 HydrophobicContact CD1-CE1 4.16Å; Y455-Y457 HydrophobicContact CD2-CE2 4.16Å; Y455-Y457 AromaticContact CE2-CE2 3.68Å; Y455-Y457 HydrophobicContact CE2-CE2 3.68Å
456	T	98.3	Very high	88	Confident	33 Å²	33	39 Å²	39	20%	0.202	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162.8	174	57.4	0	0	0	0	110.3	P126 V127 R129 E451	P126-T456 HydrophobicContact CB-CG2 4.26Å; V127-T456 PolarHBondContact O-N 3.01Å; R129-T456 PolarHBondContact N-O 3.48Å; E451-T456 HydrophobicContact CG-CG2 4.06Å
457	Y	98.4	Very high	85.9	Confident	23 Å²	23	43.3 Å²	43.3	9%	0.09	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.2	170.9	-74.8	-81.3	0	0	0	111.3	R129 Y246 S399 D402 A403 V450 Y455 I459	R129-Y457 HydrophobicContact CB-CD1 3.6Å; R129-Y457 HydrophobicContact CB-CE1 3.54Å; R129-Y457 HydrophobicContact CB-CG 4.39Å; R129-Y457 HydrophobicContact CG-CE1 4.21Å; R129-Y457 PolarHBondContact NH1-OH 3.5Å; R129-Y457 WeakPolarHBondContact O-CA 3.49Å; Y246-Y457 AromaticContact CD1-CD1 3.69Å; Y246-Y457 HydrophobicContact CD1-CD1 3.69Å; Y246-Y457 HydrophobicContact CD1-CE1 4.03Å; Y246-Y457 HydrophobicContact CE1-CD1 4.07Å; Y246-Y457 HydrophobicContact CG-CD1 4.45Å; Y246-Y457 HydrophobicContact CG-CE1 4.49Å; S399-Y457 WeakPolarHBondContact O-CE1 3.26Å; S399-Y457 PolarHBondContact O-OH 2.79Å; D402-Y457 WeakPolarHBondContact CB-OH 3.14Å; D402-Y457 PolarHBondContact OD2-OH 2.94Å; A403-Y457 HydrophobicContact CB-CD1 3.64Å; A403-Y457 HydrophobicContact CB-CD2 3.79Å; A403-Y457 HydrophobicContact CB-CE1 3.7Å; A403-Y457 HydrophobicContact CB-CE2 3.86Å; A403-Y457 HydrophobicContact CB-CG 3.68Å; V450-Y457 HydrophobicContact CG1-CE2 4.39Å; V450-Y457 HydrophobicContact CG2-CD2 4.43Å; Y455-Y457 HydrophobicContact CD2-CE2 4.16Å; Y455-Y457 AromaticContact CE2-CE2 3.68Å; Y455-Y457 HydrophobicContact CE2-CE2 3.68Å; Y457-I459 PolarHBondContact O-N 3.47Å
458	A	97.6	Very high	83.8	Confident	52 Å²	52	46.8 Å²	46.8	43%	0.43	26%	0.261	S	S	.	.			trans	-82.1	68.6	166.4	0	0	0	0	0	109.7	V128 R129 K130 Y246	V128-A458 HydrophobicContact CG1-CB 3.64Å; R129-A458 PolarHBondContact O-N 3.43Å; K130-A458 HydrophobicContact CG-CB 4.16Å; Y246-A458 PolarHBondContact OH-O 2.94Å; Y246-A458 VanDerWaalsContact OH-O 3.09Å
459	I	95.5	Very high	81.8	Confident	49 Å²	49	50.2 Å²	50.2	25%	0.251	28%	0.276	S	S	.	.			trans	-136.4	154	-176.4	-161.2	167.3	0	0	0	111.2	Y246 F400 Y457 L461	Y246-I459 HydrophobicContact CD2-CD1 4.47Å; Y246-I459 HydrophobicContact CE1-CB 4.34Å; Y246-I459 HydrophobicContact CE2-CD1 3.64Å; Y246-I459 HydrophobicContact CE2-CG1 4.31Å; Y246-I459 WeakPolarHBondContact OH-CB 3.39Å; Y246-I459 VanDerWaalsContact OH-CG1 3.3Å; Y246-I459 WeakPolarHBondContact OH-CG1 2.91Å; F400-I459 HydrophobicContact CD2-CD1 4.03Å; F400-I459 HydrophobicContact CE2-CD1 3.61Å; Y457-I459 PolarHBondContact O-N 3.47Å; I459-L461 HydrophobicContact CD1-CD1 4.26Å; I459-L461 HydrophobicContact CD1-CD2 3.62Å; I459-L461 HydrophobicContact CD1-CG 3.83Å; I459-L461 HydrophobicContact CG1-CD2 4.09Å; I459-L461 HydrophobicContact CG1-CG 4.04Å; I459-L461 HydrophobicContact CG2-CG 4.31Å
460	D	90.9	Very high	80	Confident	116 Å²	116	51 Å²	51	62%	0.62	29%	0.286	S	S	*	.			trans	-123.1	123.5	164.8	-169.7	22.5	0	0	0	108.2	S464	D460-S464 PolarHBondContact OD1-OG 3.39Å
461	L	90.3	Very high	78.4	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.021	32%	0.316	C	S	.	.			trans	-118.8	143.6	-174.4	-75.4	-177.1	0	0	0	111.4	I327 L331 F400 I404 E407 R411 I459 G463 S464	I327-L461 HydrophobicContact CG2-CD2 4.17Å; L331-L461 HydrophobicContact CD1-CB 4.16Å; L331-L461 HydrophobicContact CD1-CD1 4.38Å; F400-L461 HydrophobicContact CE2-CD2 4.24Å; I404-L461 HydrophobicContact CG1-CD1 4.3Å; E407-L461 HydrophobicContact CB-CD1 3.82Å; E407-L461 HydrophobicContact CG-CB 3.98Å; E407-L461 HydrophobicContact CG-CD1 4Å; R411-L461 PolarHBondContact NH2-O 3.16Å; I459-L461 HydrophobicContact CD1-CD1 4.26Å; I459-L461 HydrophobicContact CD1-CD2 3.62Å; I459-L461 HydrophobicContact CD1-CG 3.83Å; I459-L461 HydrophobicContact CG1-CD2 4.09Å; I459-L461 HydrophobicContact CG1-CG 4.04Å; I459-L461 HydrophobicContact CG2-CG 4.31Å; L461-G463 PolarHBondContact O-N 2.87Å; L461-G463 VanDerWaalsContact O-N 3.09Å; L461-S464 WeakPolarHBondContact O-CB 3.46Å; L461-S464 PolarHBondContact O-N 3.36Å; L461-S464 VanDerWaalsContact O-N 3.14Å; L461-S464 PolarHBondContact O-OG 2.96Å
462	P	81.8	Confident	76.8	Confident	16 Å²	16	59.2 Å²	59.2	10%	0.104	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	116.1	-167.5	-23.8	33.2	0	0	0	113.3	L324 R328 R411	L324-P462 HydrophobicContact CD1-CG 3.49Å; L324-P462 VanDerWaalsContact CD1-CG 3.49Å; L324-P462 HydrophobicContact CD2-CG 4.19Å; L324-P462 HydrophobicContact CG-CG 3.62Å; R328-P462 HydrophobicContact CB-CB 3.97Å; R328-P462 HydrophobicContact CB-CG 4.41Å; R328-P462 HydrophobicContact CG-CB 4.37Å; R411-P462 VanDerWaalsContact CZ-O 3.24Å; R411-P462 PolarHBondContact NH1-O 3.46Å; R411-P462 VanDerWaalsContact NH2-C 3.32Å; R411-P462 PolarHBondContact NH2-O 3.07Å
463	G	64.1	Low	75.6	Confident	14 Å²	14	60 Å²	60	14%	0.144	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	115.6	-21.4	-179.5	0	0	0	0	0	115.2	L461 S465 E467	L461-G463 PolarHBondContact O-N 2.87Å; L461-G463 VanDerWaalsContact O-N 3.09Å; G463-S465 VanDerWaalsContact C-N 3.27Å; G463-S465 PolarHBondContact O-N 3.25Å; G463-E467 PolarHBondContact O-N 3.23Å
464	S	59.3	Low	74.5	Confident	31 Å²	31	63.7 Å²	63.7	22%	0.217	35%	0.353	C	S	.	.	H	α-helix	trans	-48.5	-44.4	176.3	55.3	0	0	0	0	114	D460 L461 T468	D460-S464 PolarHBondContact OD1-OG 3.39Å; L461-S464 WeakPolarHBondContact O-CB 3.46Å; L461-S464 PolarHBondContact O-N 3.36Å; L461-S464 VanDerWaalsContact O-N 3.14Å; L461-S464 PolarHBondContact O-OG 2.96Å; S464-T468 PolarHBondContact O-OG1 3.02Å
465	S	51.7	Low	73.5	Confident	58 Å²	58	66.8 Å²	66.8	41%	0.406	37%	0.37	S	S	.	.	H	α-helix	trans	-97.7	-33.2	-171.2	45.8	0	0	0	0	113.1	G463 T468 Q469	G463-S465 VanDerWaalsContact C-N 3.27Å; G463-S465 PolarHBondContact O-N 3.25Å; S465-T468 WeakPolarHBondContact CA-OG1 3.2Å; S465-T468 PolarHBondContact O-OG1 3.04Å; S465-Q469 VanDerWaalsContact O-CB 3.23Å; S465-Q469 WeakPolarHBondContact O-CB 3.33Å; S465-Q469 PolarHBondContact O-N 2.69Å
466	E	53.3	Low	72.5	Confident	128 Å²	128	68.6 Å²	68.6	60%	0.598	39%	0.389	S	S	*	.	H	α-helix	trans	-70.6	-39.3	178.8	-69.6	-175.9	140.8	0	0	111.7	A470	E466-A470 VanDerWaalsContact O-CB 3.25Å; E466-A470 WeakPolarHBondContact O-CB 3.37Å; E466-A470 PolarHBondContact O-N 3.4Å
467	E	53.2	Low	71.8	Confident	95 Å²	95	70 Å²	70	44%	0.444	40%	0.404	S	S	.	.	H	α-helix	trans	-68.7	-44.8	174.8	-73.7	-163.3	126	0	0	112.2	G463 Q469 A470 W471	G463-E467 PolarHBondContact O-N 3.23Å; E467-Q469 VanDerWaalsContact C-N 3.28Å; E467-Q469 PolarHBondContact O-N 3.12Å; E467-A470 PolarHBondContact O-N 2.94Å; E467-W471 WeakPolarHBondContact O-CB 3.44Å; E467-W471 PolarHBondContact O-N 2.94Å
468	T	53.6	Low	71.1	Confident	97 Å²	97	73.1 Å²	73.1	60%	0.595	43%	0.426	S	S	*	.	H	α-helix	trans	-61.8	-37.3	177	37.8	0	0	0	0	111.8	S464 S465 A472	S464-T468 PolarHBondContact O-OG1 3.02Å; S465-T468 WeakPolarHBondContact CA-OG1 3.2Å; S465-T468 PolarHBondContact O-OG1 3.04Å; T468-A472 WeakPolarHBondContact O-CB 3.14Å; T468-A472 PolarHBondContact O-N 2.87Å
469	Q	53.9	Low	70.6	Confident	130 Å²	130	76.3 Å²	76.3	61%	0.607	44%	0.435	S	S	*	.	H	α-helix	trans	-70.4	-39.9	174	-167.1	169.4	6.7	0	0	112.4	S465 E467 A472 I473	S465-Q469 VanDerWaalsContact O-CB 3.23Å; S465-Q469 WeakPolarHBondContact O-CB 3.33Å; S465-Q469 PolarHBondContact O-N 2.69Å; E467-Q469 VanDerWaalsContact C-N 3.28Å; E467-Q469 PolarHBondContact O-N 3.12Å; Q469-A472 PolarHBondContact O-N 3.39Å; Q469-I473 HydrophobicContact CG-CD1 4.22Å; Q469-I473 WeakPolarHBondContact O-CD1 3.02Å; Q469-I473 VanDerWaalsContact O-CG1 3.26Å; Q469-I473 WeakPolarHBondContact O-CG1 3.48Å; Q469-I473 PolarHBondContact O-N 2.98Å
470	A	58.7	Low	70.1	Confident	46 Å²	46	76.3 Å²	76.3	38%	0.38	44%	0.442	S	S	.	.	H	α-helix	trans	-64.5	-45.7	175.7	0	0	0	0	0	112.3	E466 E467 A472 I473 I474	E466-A470 VanDerWaalsContact O-CB 3.25Å; E466-A470 WeakPolarHBondContact O-CB 3.37Å; E466-A470 PolarHBondContact O-N 3.4Å; E467-A470 PolarHBondContact O-N 2.94Å; A470-A472 PolarHBondContact O-N 2.63Å; A470-I473 PolarHBondContact O-N 3.36Å; A470-I474 VanDerWaalsContact O-CG1 3.31Å; A470-I474 WeakPolarHBondContact O-CG1 3.37Å; A470-I474 PolarHBondContact O-N 2.87Å
471	W	63.6	Low	69.9	Low	169 Å²	169	72.7 Å²	72.7	64%	0.64	43%	0.432	S	S	*	.	H	α-helix	trans	-59.5	-43.9	173.9	-82.8	110.1	0	0	0	111.8	E467 I473 I474 V475	E467-W471 WeakPolarHBondContact O-CB 3.44Å; E467-W471 PolarHBondContact O-N 2.94Å; W471-I473 VanDerWaalsContact C-N 3.32Å; W471-I473 PolarHBondContact O-N 3.06Å; W471-I474 PolarHBondContact O-N 3.04Å; W471-V475 WeakPolarHBondContact O-CB 3.26Å; W471-V475 WeakPolarHBondContact O-CG2 3.19Å; W471-V475 PolarHBondContact O-N 3Å
472	A	60.4	Low	69.8	Low	66 Å²	66	75.4 Å²	75.4	55%	0.545	46%	0.455	S	S	.	.	H	α-helix	trans	-60.8	-39.8	175.6	0	0	0	0	0	112.6	T468 Q469 A470 G476	T468-A472 WeakPolarHBondContact O-CB 3.14Å; T468-A472 PolarHBondContact O-N 2.87Å; Q469-A472 PolarHBondContact O-N 3.39Å; A470-A472 PolarHBondContact O-N 2.63Å; A472-G476 PolarHBondContact O-N 3.37Å
473	I	71.6	Confident	70.3	Confident	109 Å²	109	80 Å²	80	56%	0.559	48%	0.479	S	S	*	.	H	α-helix	trans	-66.6	-43.9	175.7	-69.3	163.8	0	0	0	111.2	Q469 A470 W471 G476 A477	Q469-I473 HydrophobicContact CG-CD1 4.22Å; Q469-I473 WeakPolarHBondContact O-CD1 3.02Å; Q469-I473 VanDerWaalsContact O-CG1 3.26Å; Q469-I473 WeakPolarHBondContact O-CG1 3.48Å; Q469-I473 PolarHBondContact O-N 2.98Å; A470-I473 PolarHBondContact O-N 3.36Å; W471-I473 VanDerWaalsContact C-N 3.32Å; W471-I473 PolarHBondContact O-N 3.06Å; I473-G476 PolarHBondContact O-N 3.22Å; I473-A477 VanDerWaalsContact O-CB 3.31Å; I473-A477 WeakPolarHBondContact O-CB 3.48Å; I473-A477 PolarHBondContact O-N 3.31Å
474	I	72.9	Confident	71.6	Confident	93 Å²	93	84.7 Å²	84.7	48%	0.477	50%	0.499	S	S	.	.	H	α-helix	trans	-65.6	-44	179.7	-68.4	164.5	0	0	0	111.2	A470 W471 A477 T478	A470-I474 VanDerWaalsContact O-CG1 3.31Å; A470-I474 WeakPolarHBondContact O-CG1 3.37Å; A470-I474 PolarHBondContact O-N 2.87Å; W471-I474 PolarHBondContact O-N 3.04Å; I474-A477 PolarHBondContact O-N 3.21Å; I474-T478 WeakPolarHBondContact O-CB 3.31Å; I474-T478 WeakPolarHBondContact O-CG2 3.12Å; I474-T478 PolarHBondContact O-N 2.83Å; I474-T478 PolarHBondContact O-OG1 3.09Å
475	V	76.9	Confident	73	Confident	73 Å²	73	86 Å²	86	44%	0.442	51%	0.512	S	S	.	.	H	α-helix	trans	-65	-42.9	175.4	173.4	0	0	0	0	110.9	W471 A477 T478 L479	W471-V475 WeakPolarHBondContact O-CB 3.26Å; W471-V475 WeakPolarHBondContact O-CG2 3.19Å; W471-V475 PolarHBondContact O-N 3Å; V475-A477 PolarHBondContact O-N 3.24Å; V475-T478 WeakPolarHBondContact CA-OG1 3.2Å; V475-T478 PolarHBondContact O-N 2.85Å; V475-T478 PolarHBondContact O-OG1 3.08Å; V475-T478 VanDerWaalsContact O-OG1 3.05Å; V475-L479 HydrophobicContact CG1-CD1 3.85Å; V475-L479 HydrophobicContact CG1-CG 4.39Å; V475-L479 WeakPolarHBondContact O-CB 3.28Å; V475-L479 VanDerWaalsContact O-CG 3.3Å; V475-L479 WeakPolarHBondContact O-CG 3.15Å; V475-L479 PolarHBondContact O-N 3.14Å
476	G	77.6	Confident	74.9	Confident	39 Å²	39	88.3 Å²	88.3	40%	0.402	52%	0.519	S	S	.	.	H	α-helix	trans	-59.6	-45.5	174.2	0	0	0	0	0	113	A472 I473 A480	A472-G476 PolarHBondContact O-N 3.37Å; I473-G476 PolarHBondContact O-N 3.22Å; G476-A480 VanDerWaalsContact O-CB 3.31Å; G476-A480 WeakPolarHBondContact O-CB 3.38Å; G476-A480 PolarHBondContact O-N 3.18Å
477	A	81.8	Confident	76.7	Confident	62 Å²	62	85.9 Å²	85.9	51%	0.512	51%	0.513	S	S	.	.	H	α-helix	trans	-66.8	-41.2	179.8	0	0	0	0	0	112.8	I473 I474 V475 G481	I473-A477 VanDerWaalsContact O-CB 3.31Å; I473-A477 WeakPolarHBondContact O-CB 3.48Å; I473-A477 PolarHBondContact O-N 3.31Å; I474-A477 PolarHBondContact O-N 3.21Å; V475-A477 PolarHBondContact O-N 3.24Å; A477-G481 PolarHBondContact O-N 2.92Å
478	T	85.3	Confident	78.5	Confident	89 Å²	89	86.4 Å²	86.4	55%	0.546	52%	0.517	S	S	.	.	H	α-helix	trans	-69	-41.5	177.9	47.2	0	0	0	0	112.4	I474 V475 G481 A482	I474-T478 WeakPolarHBondContact O-CB 3.31Å; I474-T478 WeakPolarHBondContact O-CG2 3.12Å; I474-T478 PolarHBondContact O-N 2.83Å; I474-T478 PolarHBondContact O-OG1 3.09Å; V475-T478 WeakPolarHBondContact CA-OG1 3.2Å; V475-T478 PolarHBondContact O-N 2.85Å; V475-T478 PolarHBondContact O-OG1 3.08Å; V475-T478 VanDerWaalsContact O-OG1 3.05Å; T478-G481 PolarHBondContact O-N 2.86Å; T478-A482 WeakPolarHBondContact O-CB 3.44Å; T478-A482 PolarHBondContact O-N 3.21Å
479	L	85.3	Confident	80.3	Confident	118 Å²	118	86.6 Å²	86.6	62%	0.618	51%	0.514	S	S	*	.	H	α-helix	trans	-63.5	-42.9	173.5	-71.5	172.8	0	0	0	111.9	V475 A482 L483	V475-L479 HydrophobicContact CG1-CD1 3.85Å; V475-L479 HydrophobicContact CG1-CG 4.39Å; V475-L479 WeakPolarHBondContact O-CB 3.28Å; V475-L479 VanDerWaalsContact O-CG 3.3Å; V475-L479 WeakPolarHBondContact O-CG 3.15Å; V475-L479 PolarHBondContact O-N 3.14Å; L479-A482 PolarHBondContact O-N 2.9Å; L479-L483 WeakPolarHBondContact O-CB 3.17Å; L479-L483 PolarHBondContact O-N 3.49Å
480	A	86.6	Confident	82.1	Confident	50 Å²	50	84.1 Å²	84.1	41%	0.413	51%	0.507	S	S	.	.	H	α-helix	trans	-63	-43.4	175.5	0	0	0	0	0	112	G476 L483 I484	G476-A480 VanDerWaalsContact O-CB 3.31Å; G476-A480 WeakPolarHBondContact O-CB 3.38Å; G476-A480 PolarHBondContact O-N 3.18Å; A480-L483 PolarHBondContact O-N 2.73Å; A480-I484 VanDerWaalsContact O-CG1 3.32Å; A480-I484 WeakPolarHBondContact O-CG1 3.39Å; A480-I484 PolarHBondContact O-N 2.81Å
481	G	87.1	Confident	83.7	Confident	39 Å²	39	86.7 Å²	86.7	40%	0.402	51%	0.514	S	S	.	.	H	α-helix	trans	-61.2	-43.9	175.4	0	0	0	0	0	113	A477 T478 L483 I484 A485	A477-G481 PolarHBondContact O-N 2.92Å; T478-G481 PolarHBondContact O-N 2.86Å; G481-L483 PolarHBondContact O-N 2.92Å; G481-I484 PolarHBondContact O-N 3.25Å; G481-A485 WeakPolarHBondContact O-CB 3.35Å; G481-A485 PolarHBondContact O-N 3.22Å
482	A	87.8	Confident	84.9	Confident	62 Å²	62	83.2 Å²	83.2	51%	0.512	51%	0.507	S	S	.	.	H	α-helix	trans	-62.5	-40.6	175.3	0	0	0	0	0	112.2	T478 L479 A485 L486	T478-A482 WeakPolarHBondContact O-CB 3.44Å; T478-A482 PolarHBondContact O-N 3.21Å; L479-A482 PolarHBondContact O-N 2.9Å; A482-A485 PolarHBondContact O-N 3.4Å; A482-L486 WeakPolarHBondContact O-CB 3.03Å; A482-L486 PolarHBondContact O-N 3.16Å
483	L	90.8	Very high	86.3	Confident	113 Å²	113	84.6 Å²	84.6	59%	0.592	51%	0.505	S	S	*	.	H	α-helix	trans	-63.8	-44	176.5	-158.3	84.6	0	0	0	111.8	L479 A480 G481 L486 V487	L479-L483 WeakPolarHBondContact O-CB 3.17Å; L479-L483 PolarHBondContact O-N 3.49Å; A480-L483 PolarHBondContact O-N 2.73Å; G481-L483 PolarHBondContact O-N 2.92Å; L483-L486 WeakPolarHBondContact O-CB 3.45Å; L483-L486 PolarHBondContact O-N 3.31Å; L483-V487 WeakPolarHBondContact O-CG2 3.45Å; L483-V487 PolarHBondContact O-N 2.88Å
484	I	91.9	Very high	87.1	Confident	111 Å²	111	83.4 Å²	83.4	57%	0.569	50%	0.502	S	S	*	.	H	α-helix	trans	-63.1	-43.7	176.9	-68.2	164.1	0	0	0	110.6	A480 G481 L486 V487 M488	A480-I484 VanDerWaalsContact O-CG1 3.32Å; A480-I484 WeakPolarHBondContact O-CG1 3.39Å; A480-I484 PolarHBondContact O-N 2.81Å; G481-I484 PolarHBondContact O-N 3.25Å; I484-L486 VanDerWaalsContact C-N 3.33Å; I484-L486 PolarHBondContact O-N 3.11Å; I484-V487 PolarHBondContact O-N 3.19Å; I484-M488 WeakPolarHBondContact O-CB 3.41Å; I484-M488 WeakPolarHBondContact O-CG 3.25Å; I484-M488 PolarHBondContact O-N 2.87Å
485	A	88.3	Confident	87.7	Confident	59 Å²	59	84 Å²	84	49%	0.488	50%	0.502	S	S	.	.	H	α-helix	trans	-61	-41.4	176.1	0	0	0	0	0	112	G481 A482 M488 L489	G481-A485 WeakPolarHBondContact O-CB 3.35Å; G481-A485 PolarHBondContact O-N 3.22Å; A482-A485 PolarHBondContact O-N 3.4Å; A485-M488 PolarHBondContact O-N 2.74Å; A485-L489 WeakPolarHBondContact O-CB 3.44Å; A485-L489 PolarHBondContact O-N 3.27Å
486	L	91.8	Very high	87.9	Confident	106 Å²	106	87.5 Å²	87.5	56%	0.555	51%	0.511	S	S	*	.	H	α-helix	trans	-62.6	-46.5	175.5	-167.2	81.9	0	0	0	111.8	A482 L483 I484 M488 L489 V490	A482-L486 WeakPolarHBondContact O-CB 3.03Å; A482-L486 PolarHBondContact O-N 3.16Å; L483-L486 WeakPolarHBondContact O-CB 3.45Å; L483-L486 PolarHBondContact O-N 3.31Å; I484-L486 VanDerWaalsContact C-N 3.33Å; I484-L486 PolarHBondContact O-N 3.11Å; L486-M488 PolarHBondContact O-N 2.76Å; L486-L489 WeakPolarHBondContact O-CB 3.27Å; L486-L489 PolarHBondContact O-N 2.94Å; L486-V490 WeakPolarHBondContact O-CG2 3.25Å; L486-V490 PolarHBondContact O-N 3.45Å
487	V	92.4	Very high	88	Confident	78 Å²	78	92 Å²	92	47%	0.473	52%	0.522	S	S	.	.	H	α-helix	trans	-61.3	-43.7	177.3	170.4	0	0	0	0	111	L483 I484 L489 V490 L491	L483-V487 WeakPolarHBondContact O-CG2 3.45Å; L483-V487 PolarHBondContact O-N 2.88Å; I484-V487 PolarHBondContact O-N 3.19Å; V487-L489 VanDerWaalsContact C-N 3.35Å; V487-L489 PolarHBondContact O-N 2.81Å; V487-V490 PolarHBondContact O-N 3.02Å; V487-L491 HydrophobicContact CG1-CD1 4Å; V487-L491 HydrophobicContact CG1-CG 4.43Å; V487-L491 WeakPolarHBondContact O-CB 3.44Å; V487-L491 VanDerWaalsContact O-CG 3.32Å; V487-L491 WeakPolarHBondContact O-CG 3.49Å; V487-L491 PolarHBondContact O-N 3.12Å
488	M	90.3	Very high	87.8	Confident	106 Å²	106	93.6 Å²	93.6	52%	0.522	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-39.1	175.6	-72.8	-64.1	-70.1	0	0	112.4	I484 A485 L486 L491 L492	I484-M488 WeakPolarHBondContact O-CB 3.41Å; I484-M488 WeakPolarHBondContact O-CG 3.25Å; I484-M488 PolarHBondContact O-N 2.87Å; A485-M488 PolarHBondContact O-N 2.74Å; L486-M488 PolarHBondContact O-N 2.76Å; M488-L491 PolarHBondContact O-N 3.24Å; M488-L491 HydrophobicContact SD-CD1 4.39Å; M488-L492 WeakPolarHBondContact O-CB 3.18Å; M488-L492 VanDerWaalsContact O-CG 3.31Å; M488-L492 WeakPolarHBondContact O-CG 3.43Å; M488-L492 PolarHBondContact O-N 2.98Å
489	L	92.1	Very high	87.3	Confident	101 Å²	101	96.9 Å²	96.9	53%	0.529	52%	0.521	S	S	.	.	H	α-helix	trans	-63	-45	174.4	-164.5	87.1	0	0	0	111.5	A485 L486 V487 L492 L493	A485-L489 WeakPolarHBondContact O-CB 3.44Å; A485-L489 PolarHBondContact O-N 3.27Å; L486-L489 WeakPolarHBondContact O-CB 3.27Å; L486-L489 PolarHBondContact O-N 2.94Å; V487-L489 VanDerWaalsContact C-N 3.35Å; V487-L489 PolarHBondContact O-N 2.81Å; L489-L492 PolarHBondContact O-N 2.85Å; L489-L493 HydrophobicContact CD2-CD1 4.35Å; L489-L493 HydrophobicContact CG-CD1 4.3Å; L489-L493 WeakPolarHBondContact O-CB 3.32Å; L489-L493 VanDerWaalsContact O-CG 3.29Å; L489-L493 WeakPolarHBondContact O-CG 3.32Å; L489-L493 PolarHBondContact O-N 3.03Å
490	V	91.6	Very high	86.6	Confident	77 Å²	77	101.3 Å²	101.3	47%	0.467	53%	0.53	S	S	.	.	H	α-helix	trans	-62.5	-44.6	176.5	171.4	0	0	0	0	110.9	L486 V487 L492 L493 V494	L486-V490 WeakPolarHBondContact O-CG2 3.25Å; L486-V490 PolarHBondContact O-N 3.45Å; V487-V490 PolarHBondContact O-N 3.02Å; V490-L492 PolarHBondContact O-N 2.62Å; V490-L493 PolarHBondContact O-N 2.84Å; V490-V494 HydrophobicContact CG1-CG2 4.38Å; V490-V494 WeakPolarHBondContact O-CB 3.21Å; V490-V494 VanDerWaalsContact O-CG2 3.31Å; V490-V494 WeakPolarHBondContact O-CG2 2.86Å; V490-V494 PolarHBondContact O-N 3.31Å
491	L	91.3	Very high	85.7	Confident	101 Å²	101	106.4 Å²	106.4	53%	0.529	55%	0.545	S	S	.	.	H	α-helix	trans	-61.8	-41	176	-72.1	171.4	0	0	0	112.2	V487 M488 V494 F495	V487-L491 HydrophobicContact CG1-CD1 4Å; V487-L491 HydrophobicContact CG1-CG 4.43Å; V487-L491 WeakPolarHBondContact O-CB 3.44Å; V487-L491 VanDerWaalsContact O-CG 3.32Å; V487-L491 WeakPolarHBondContact O-CG 3.49Å; V487-L491 PolarHBondContact O-N 3.12Å; M488-L491 PolarHBondContact O-N 3.24Å; M488-L491 HydrophobicContact SD-CD1 4.39Å; L491-V494 PolarHBondContact O-N 3.37Å; L491-F495 VanDerWaalsContact O-CB 3.29Å; L491-F495 WeakPolarHBondContact O-CB 3.35Å; L491-F495 PolarHBondContact O-N 2.87Å
492	L	90.3	Very high	84.4	Confident	96 Å²	96	113.5 Å²	113.5	50%	0.503	56%	0.559	S	S	.	*	H	α-helix	trans	-64.3	-42.3	174.1	-76.5	168.3	0	0	0	112	M488 L489 V490 F495 F496	M488-L492 WeakPolarHBondContact O-CB 3.18Å; M488-L492 VanDerWaalsContact O-CG 3.31Å; M488-L492 WeakPolarHBondContact O-CG 3.43Å; M488-L492 PolarHBondContact O-N 2.98Å; L489-L492 PolarHBondContact O-N 2.85Å; V490-L492 PolarHBondContact O-N 2.62Å; L492-F495 PolarHBondContact O-N 3.25Å; L492-F496 WeakPolarHBondContact O-CB 3.1Å; L492-F496 WeakPolarHBondContact O-CD2 3.42Å; L492-F496 PolarHBondContact O-N 2.63Å
493	L	88.8	Confident	82.9	Confident	95 Å²	95	119.6 Å²	119.6	50%	0.497	57%	0.574	S	S	.	*	H	α-helix	trans	-64.4	-44	176.2	-73.4	168	0	0	0	111.8	L489 V490 F496 Q497	L489-L493 HydrophobicContact CD2-CD1 4.35Å; L489-L493 HydrophobicContact CG-CD1 4.3Å; L489-L493 WeakPolarHBondContact O-CB 3.32Å; L489-L493 VanDerWaalsContact O-CG 3.29Å; L489-L493 WeakPolarHBondContact O-CG 3.32Å; L489-L493 PolarHBondContact O-N 3.03Å; V490-L493 PolarHBondContact O-N 2.84Å; L493-F496 PolarHBondContact O-N 2.79Å; L493-Q497 WeakPolarHBondContact O-CG 3.18Å; L493-Q497 PolarHBondContact O-N 2.84Å
494	V	87.5	Confident	81	Confident	83 Å²	83	116.9 Å²	116.9	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-61.8	-44	174.1	169.8	0	0	0	0	110.8	V490 L491 F496 Q497 H498	V490-V494 HydrophobicContact CG1-CG2 4.38Å; V490-V494 WeakPolarHBondContact O-CB 3.21Å; V490-V494 VanDerWaalsContact O-CG2 3.31Å; V490-V494 WeakPolarHBondContact O-CG2 2.86Å; V490-V494 PolarHBondContact O-N 3.31Å; L491-V494 PolarHBondContact O-N 3.37Å; V494-F496 PolarHBondContact O-N 3.22Å; V494-Q497 PolarHBondContact O-N 2.66Å; V494-H498 WeakPolarHBondContact O-CB 3.41Å; V494-H498 PolarHBondContact O-N 3.2Å
495	F	85.5	Confident	79.1	Confident	107 Å²	107	120.5 Å²	120.5	47%	0.469	59%	0.586	S	S	.	*	H	α-helix	trans	-63.1	-41	175.9	-178.3	-102	0	0	0	112.4	L491 L492 H498 R499	L491-F495 VanDerWaalsContact O-CB 3.29Å; L491-F495 WeakPolarHBondContact O-CB 3.35Å; L491-F495 PolarHBondContact O-N 2.87Å; L492-F495 PolarHBondContact O-N 3.25Å; F495-H498 PolarHBondContact O-N 3.32Å; F495-R499 HydrophobicContact CE1-CG 4.25Å; F495-R499 HydrophobicContact CZ-CG 4.29Å; F495-R499 WeakPolarHBondContact O-CB 3.42Å; F495-R499 PolarHBondContact O-N 2.75Å
496	F	82.1	Confident	77.1	Confident	145 Å²	145	126.8 Å²	126.8	64%	0.636	61%	0.605	S	S	*	*	H	α-helix	trans	-64.1	-44.5	174	-102.3	-83.2	0	0	0	112.1	L492 L493 V494 R499 R500	L492-F496 WeakPolarHBondContact O-CB 3.1Å; L492-F496 WeakPolarHBondContact O-CD2 3.42Å; L492-F496 PolarHBondContact O-N 2.63Å; L493-F496 PolarHBondContact O-N 2.79Å; V494-F496 PolarHBondContact O-N 3.22Å; F496-R499 PolarHBondContact O-N 3.4Å; F496-R500 WeakPolarHBondContact O-CB 3.47Å; F496-R500 PolarHBondContact O-N 3.18Å
497	Q	79.8	Confident	75	Confident	134 Å²	134	127.4 Å²	127.4	63%	0.626	62%	0.615	S	S	*	*	H	α-helix	trans	-62.3	-43.6	175.1	-73.4	-178	6.1	0	0	111.6	L493 V494 R500 Q501	L493-Q497 WeakPolarHBondContact O-CG 3.18Å; L493-Q497 PolarHBondContact O-N 2.84Å; V494-Q497 PolarHBondContact O-N 2.66Å; Q497-R500 PolarHBondContact O-N 3.18Å; Q497-R500 VanDerWaalsContact O-N 3.12Å; Q497-Q501 PolarHBondContact O-N 3.34Å
498	H	77.2	Confident	73.1	Confident	96 Å²	96	132 Å²	132	44%	0.444	64%	0.636	S	S	.	*	H	α-helix	trans	-64.5	-41.2	177.4	-163.5	84.8	0	0	0	112	V494 F495 R500 Q501 R502	V494-H498 WeakPolarHBondContact O-CB 3.41Å; V494-H498 PolarHBondContact O-N 3.2Å; F495-H498 PolarHBondContact O-N 3.32Å; H498-R500 VanDerWaalsContact C-N 3.33Å; H498-R500 PolarHBondContact O-N 3.44Å; H498-Q501 PolarHBondContact O-N 3.26Å; H498-R502 PolarHBondContact CD2-NE 3.1Å; H498-R502 PolarHBondContact NE2-NE 3.1Å; H498-R502 PolarHBondContact NE2-NH2 2.87Å; H498-R502 WeakPolarHBondContact O-CG 3.45Å; H498-R502 PolarHBondContact O-N 3.45Å
499	R	75.8	Confident	70.9	Confident	157 Å²	157	135.1 Å²	135.1	59%	0.592	65%	0.652	S	S	*	*	H	α-helix	trans	-61.7	-38.6	170.2	-88.4	-171.7	162.7	-172.3	-2.4	112.4	F495 F496 R502 K503	F495-R499 HydrophobicContact CE1-CG 4.25Å; F495-R499 HydrophobicContact CZ-CG 4.29Å; F495-R499 WeakPolarHBondContact O-CB 3.42Å; F495-R499 PolarHBondContact O-N 2.75Å; F496-R499 PolarHBondContact O-N 3.4Å; R499-R502 PolarHBondContact O-N 3.26Å; R499-K503 PolarHBondContact O-N 2.79Å
500	R	70.4	Confident	68.4	Low	212 Å²	212	138 Å²	138	80%	0.8	67%	0.668	S	S	*	*	H	α-helix	trans	-69.5	-38.8	-179.8	-155.2	175.1	-170.9	-178.4	2.3	111.8	F496 Q497 H498 K503	F496-R500 WeakPolarHBondContact O-CB 3.47Å; F496-R500 PolarHBondContact O-N 3.18Å; Q497-R500 PolarHBondContact O-N 3.18Å; Q497-R500 VanDerWaalsContact O-N 3.12Å; H498-R500 VanDerWaalsContact C-N 3.33Å; H498-R500 PolarHBondContact O-N 3.44Å; R500-K503 PolarHBondContact O-N 3.28Å
501	Q	66.2	Low	66.2	Low	156 Å²	156	140.5 Å²	140.5	73%	0.729	68%	0.683	S	S	*	*	H	α-helix	trans	-67.4	-40.4	172.2	-74.4	-168.2	-12.7	0	0	112.6	Q497 H498 K503 G504	Q497-Q501 PolarHBondContact O-N 3.34Å; H498-Q501 PolarHBondContact O-N 3.26Å; Q501-K503 PolarHBondContact O-N 2.87Å; Q501-G504 PolarHBondContact O-N 2.89Å
502	R	60.7	Low	63.8	Low	189 Å²	189	141 Å²	141	71%	0.713	70%	0.695	S	S	*	*	H	α-helix	trans	-64.1	-25.3	175.5	-75.2	-170.5	-176.5	-149.4	0.5	114	H498 R499 G504	H498-R502 PolarHBondContact CD2-NE 3.1Å; H498-R502 PolarHBondContact NE2-NE 3.1Å; H498-R502 PolarHBondContact NE2-NH2 2.87Å; H498-R502 WeakPolarHBondContact O-CG 3.45Å; H498-R502 PolarHBondContact O-N 3.45Å; R499-R502 PolarHBondContact O-N 3.26Å; R502-G504 PolarHBondContact O-N 2.93Å
503	K	56.1	Low	61.6	Low	189 Å²	189	145.8 Å²	145.8	82%	0.822	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-0.1	171.3	-77.7	-166.6	169.9	-163.9	0	114.4	R499 R500 Q501	R499-K503 PolarHBondContact O-N 2.79Å; R500-K503 PolarHBondContact O-N 3.28Å; Q501-K503 PolarHBondContact O-N 2.87Å
504	G	51.4	Low	59.3	Low	56 Å²	56	147.7 Å²	147.7	58%	0.577	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-5.3	176.4	0	0	0	0	0	115.4	Q501 R502	Q501-G504 PolarHBondContact O-N 2.89Å; R502-G504 PolarHBondContact O-N 2.93Å
505	F	50.6	Low	57.2	Low	188 Å²	188	149.7 Å²	149.7	83%	0.825	74%	0.742	S	S	*	*			trans	-137.8	79	-177.4	-80.2	-87.9	0	0	0	112.1
506	E	47.2	Very low	55	Low	191 Å²	191	153.8 Å²	153.8	89%	0.893	76%	0.76	S	S	*	*			trans	-103.2	112.5	153.8	-83.3	-175	160.3	0	0	108.6
507	P	47	Very low	53.1	Low	119 Å²	119	156.6 Å²	156.6	77%	0.773	77%	0.772	S	S	*	*			trans	-74.5	133.3	170.2	-10	26.3	0	0	0	110.3	M509	P507-M509 PolarHBondContact O-N 3.36Å
508	L	52.8	Low	51.3	Low	174 Å²	174	160.5 Å²	160.5	91%	0.911	78%	0.782	S	S	*	*			trans	-55.8	118.7	163.4	-82.8	152.8	0	0	0	110
509	M	45.5	Very low	49.6	Very low	172 Å²	172	164.2 Å²	164.2	85%	0.847	80%	0.802	S	S	*	*			trans	169.3	108.7	139.1	-86.1	-110.6	-74.4	0	0	111.1	P507	P507-M509 PolarHBondContact O-N 3.36Å
510	N	39.4	Very low	48.1	Very low	162 Å²	162	164.5 Å²	164.5	87%	0.866	81%	0.81	S	S	*	*			trans	-174.2	97.3	131.8	-95.9	-24.5	0	0	0	109.9
511	V	44.7	Very low	46.7	Very low	129 Å²	129	163 Å²	163	78%	0.782	81%	0.812	S	S	*	*			trans	-80.7	126.4	167.8	175.1	0	0	0	0	108.1	F513	V511-F513 HydrophobicContact CG1-CD2 4.02Å; V511-F513 HydrophobicContact CG1-CE2 3.79Å
512	S	40.2	Very low	45.5	Very low	112 Å²	112	163.9 Å²	163.9	78%	0.783	85%	0.846	S	S	*	*			trans	-129.7	128.2	163	62.1	0	0	0	0	110.2
513	F	44	Very low	44.7	Very low	196 Å²	196	162.6 Å²	162.6	86%	0.86	85%	0.853	S	S	*	*			trans	-80.9	135.9	-177.1	-78.6	-102.3	0	0	0	110.8	V511	V511-F513 HydrophobicContact CG1-CD2 4.02Å; V511-F513 HydrophobicContact CG1-CE2 3.79Å
514	T	40.5	Very low	44.1	Very low	134 Å²	134	161.2 Å²	161.2	82%	0.822	85%	0.854	S	S	*	*			trans	-112.5	124.4	166.4	6.4	0	0	0	0	110.1	K516	T514-K516 PolarHBondContact O-N 2.91Å
515	P	44.4	Very low	43.7	Very low	125 Å²	125	167.1 Å²	167.1	81%	0.812	87%	0.87	S	S	*	*			trans	-79.5	119.8	-179.5	30.5	-32.7	0	0	0	111	K517	P515-K517 PolarHBondContact O-N 3.36Å
516	K	40.1	Very low	43.3	Very low	194 Å²	194	165.8 Å²	165.8	84%	0.843	87%	0.872	S	S	*	*			trans	-75.7	114.3	166	-86	-173.4	172.6	-177.2	0	109.8	T514 Y518	T514-K516 PolarHBondContact O-N 2.91Å; K516-Y518 PolarHBondContact O-N 3.5Å
517	K	41.8	Very low	43.1	Very low	203 Å²	203	164.3 Å²	164.3	88%	0.883	87%	0.871	S	S	*	*			trans	-67.1	124.1	157.1	-93.6	-175.8	169.6	-175.5	0	108.6	P515	P515-K517 PolarHBondContact O-N 3.36Å
518	Y	41.1	Very low	42.8	Very low	216 Å²	216	167.3 Å²	167.3	85%	0.847	88%	0.878	S	S	*	*			trans	-79.4	139.4	155.4	-91.5	-98.7	0	0	0	108.7	K516	K516-Y518 PolarHBondContact O-N 3.5Å
519	M	42.6	Very low	42.1	Very low	175 Å²	175	166.8 Å²	166.8	86%	0.862	88%	0.875	S	S	*	*			trans	-131.1	128.4	150.6	-90.3	-171.1	66.1	0	0	107.6
520	E	43.7	Very low	41.8	Very low	162 Å²	162	166.4 Å²	166.4	76%	0.757	88%	0.877	S	S	*	*			trans	-55.3	164.7	156.5	-67.7	147.9	150.2	0	0	109.8
521	E	41.8	Very low	42	Very low	180 Å²	180	166.8 Å²	166.8	84%	0.841	88%	0.878	S	S	*	*			cis	-164.1	-176.5	15.1	-139.5	164	-159.7	0	0	110.5
522	A	39.4	Very low	41.8	Very low	175 Å²	175	170.2 Å²	170.2	100%	1.446	89%	0.887	S	S	*	*			trans	82.8	0	170.2	0	0	0	0	0	118

Retrieved 522 of 522 residues in 641.1 ms (Link to these results)

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