A0A060VR46_ONCMY Loading...

Metallo-beta-lactamase domain-containing protein

AlphaFold DB , UniProt , Accession A0A060VR46, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 359 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.3	Very low	48.3	Very low	248 Å²	248	118.5 Å²	118.5	100%	1.222	66%	0.66	S	S	*	*				0	101.6	0	-82	171.8	161.5	0	0	107.7
2	A	47.3	Very low	48	Very low	97 Å²	97	113.6 Å²	113.6	80%	0.802	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-78.7	136.9	174	0	0	0	0	0	108.8
3	P	47.2	Very low	48.2	Very low	103 Å²	103	110.8 Å²	110.8	67%	0.669	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-69.7	152.2	178.1	30.8	-33.1	0	0	0	110
4	P	52.3	Low	48	Very low	77 Å²	77	106.9 Å²	106.9	50%	0.5	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-71.6	144	-177.2	27.9	-34.3	0	0	0	112.9	W6 S7	P4-W6 HydrophobicContact CG-CZ2 4.48Å; P4-W6 PolarHBondContact O-N 2.79Å; P4-S7 PolarHBondContact O-N 3.37Å; P4-S7 PolarHBondContact O-OG 2.69Å
5	D	56.1	Low	48	Very low	142 Å²	142	104.6 Å²	104.6	76%	0.759	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-2.8	-169.7	-111.6	-22.1	0	0	0	116.7	T9	D5-T9 PolarHBondContact O-OG1 3.04Å
6	W	48.2	Very low	47.9	Very low	172 Å²	172	107.7 Å²	107.7	65%	0.652	62%	0.616	S	S	*	*	H	α-helix	trans	-84.4	-17.5	177.7	58.4	-93.8	0	0	0	113.4	P4 L10	P4-W6 HydrophobicContact CG-CZ2 4.48Å; P4-W6 PolarHBondContact O-N 2.79Å; W6-L10 PolarHBondContact O-N 3.24Å
7	S	43.9	Very low	48	Very low	40 Å²	40	106.2 Å²	106.2	28%	0.28	61%	0.613	S	S	.	*	H	α-helix	trans	-71.6	-33.3	179.4	52.2	0	0	0	0	112.9	P4 I11	P4-S7 PolarHBondContact O-N 3.37Å; P4-S7 PolarHBondContact O-OG 2.69Å; S7-I11 WeakPolarHBondContact O-CG1 3.33Å; S7-I11 PolarHBondContact O-N 3.3Å
8	V	48.7	Very low	47.9	Very low	98 Å²	98	103.9 Å²	103.9	59%	0.594	60%	0.604	S	S	*	*	H	α-helix	trans	-70.9	-36.2	176.7	-177.6	0	0	0	0	111.2	A12	V8-A12 WeakPolarHBondContact O-CB 3.5Å; V8-A12 PolarHBondContact O-N 3.41Å; V8-A12 VanDerWaalsContact O-N 3.11Å
9	T	49.4	Very low	47.9	Very low	90 Å²	90	102.9 Å²	102.9	55%	0.552	60%	0.6	S	S	*	*	H	α-helix	trans	-71.5	-33.9	179.5	-32.2	0	0	0	0	112.6	D5 T13	D5-T9 PolarHBondContact O-OG1 3.04Å; T9-T13 WeakPolarHBondContact O-CG2 3.24Å; T9-T13 PolarHBondContact O-N 2.97Å; T9-T13 VanDerWaalsContact O-N 3.17Å; T9-T13 PolarHBondContact O-OG1 3.28Å
10	L	44.9	Very low	47.8	Very low	113 Å²	113	102.6 Å²	102.6	59%	0.592	60%	0.595	S	S	*	*	H	α-helix	trans	-73.8	-36.8	177.3	-123.1	106.7	0	0	0	112.9	W6 T13 A14	W6-L10 PolarHBondContact O-N 3.24Å; L10-T13 WeakPolarHBondContact CA-OG1 3.36Å; L10-T13 PolarHBondContact O-OG1 2.92Å; L10-T13 VanDerWaalsContact O-OG1 3.06Å; L10-A14 WeakPolarHBondContact O-CB 3.26Å; L10-A14 PolarHBondContact O-N 3.31Å; L10-A14 VanDerWaalsContact O-N 3.08Å
11	I	47.9	Very low	47.7	Very low	124 Å²	124	101.5 Å²	101.5	64%	0.636	59%	0.592	S	S	*	*	H	α-helix	trans	-72.1	-38.2	177.4	-64.6	170.1	0	0	0	110.6	S7 S15	S7-I11 WeakPolarHBondContact O-CG1 3.33Å; S7-I11 PolarHBondContact O-N 3.3Å; I11-S15 WeakPolarHBondContact O-CB 3.29Å; I11-S15 PolarHBondContact O-N 2.8Å
12	A	45.1	Very low	47.5	Very low	59 Å²	59	94.8 Å²	94.8	49%	0.488	56%	0.56	S	S	.	*	H	α-helix	trans	-65.4	-40	176.1	0	0	0	0	0	112.5	V8 F16	V8-A12 WeakPolarHBondContact O-CB 3.5Å; V8-A12 PolarHBondContact O-N 3.41Å; V8-A12 VanDerWaalsContact O-N 3.11Å; A12-F16 WeakPolarHBondContact O-CB 3.3Å; A12-F16 PolarHBondContact O-N 3.41Å
13	T	50.7	Low	47.2	Very low	78 Å²	78	93.7 Å²	93.7	48%	0.479	55%	0.546	S	S	.	.	H	α-helix	trans	-72	-37.7	178	46.4	0	0	0	0	112.9	T9 L10 F16 C17	T9-T13 WeakPolarHBondContact O-CG2 3.24Å; T9-T13 PolarHBondContact O-N 2.97Å; T9-T13 VanDerWaalsContact O-N 3.17Å; T9-T13 PolarHBondContact O-OG1 3.28Å; L10-T13 WeakPolarHBondContact CA-OG1 3.36Å; L10-T13 PolarHBondContact O-OG1 2.92Å; L10-T13 VanDerWaalsContact O-OG1 3.06Å; T13-F16 PolarHBondContact O-N 2.93Å; T13-C17 WeakPolarHBondContact O-CB 3.12Å; T13-C17 PolarHBondContact O-N 3.3Å
14	A	45.2	Very low	46.9	Very low	55 Å²	55	93.2 Å²	93.2	46%	0.455	54%	0.538	S	S	.	.	H	α-helix	trans	-65.5	-38.1	173.9	0	0	0	0	0	112.5	L10 S18	L10-A14 WeakPolarHBondContact O-CB 3.26Å; L10-A14 PolarHBondContact O-N 3.31Å; L10-A14 VanDerWaalsContact O-N 3.08Å; A14-S18 WeakPolarHBondContact O-CB 3.36Å; A14-S18 PolarHBondContact O-N 2.77Å; A14-S18 PolarHBondContact O-OG 2.72Å
15	S	47.2	Very low	46.2	Very low	73 Å²	73	98.9 Å²	98.9	51%	0.51	55%	0.549	S	S	.	.	H	α-helix	trans	-69.9	-38.5	176.4	-130.9	0	0	0	0	112.1	I11 S18 V19	I11-S15 WeakPolarHBondContact O-CB 3.29Å; I11-S15 PolarHBondContact O-N 2.8Å; S15-S18 PolarHBondContact O-N 3.11Å; S15-V19 WeakPolarHBondContact O-CB 3.45Å; S15-V19 VanDerWaalsContact O-CG2 3.29Å; S15-V19 WeakPolarHBondContact O-CG2 3.14Å; S15-V19 PolarHBondContact O-N 3.4Å
16	F	46.5	Very low	45.2	Very low	154 Å²	154	99.6 Å²	99.6	68%	0.675	55%	0.546	S	S	*	.	H	α-helix	trans	-67.2	-42.4	176.3	-142.3	-94.8	0	0	0	112.3	A12 T13 S18 V19 L20	A12-F16 WeakPolarHBondContact O-CB 3.3Å; A12-F16 PolarHBondContact O-N 3.41Å; T13-F16 PolarHBondContact O-N 2.93Å; F16-S18 VanDerWaalsContact C-N 3.34Å; F16-S18 PolarHBondContact O-N 3.07Å; F16-V19 PolarHBondContact O-N 2.95Å; F16-L20 VanDerWaalsContact O-CB 3.31Å; F16-L20 WeakPolarHBondContact O-CB 3.44Å; F16-L20 PolarHBondContact O-N 3.32Å
17	C	49.8	Very low	44.7	Very low	83 Å²	83	99.6 Å²	99.6	56%	0.561	55%	0.546	S	S	*	.	H	α-helix	trans	-64.7	-36.9	174.1	-78.4	0	0	0	0	112.3	T13 L20 C21	T13-C17 WeakPolarHBondContact O-CB 3.12Å; T13-C17 PolarHBondContact O-N 3.3Å; C17-L20 PolarHBondContact O-N 3.43Å; C17-C21 VanDerWaalsContact O-CB 3.25Å; C17-C21 WeakPolarHBondContact O-CB 3.36Å; C17-C21 PolarHBondContact O-N 3.26Å; C17-C21 PolarHBondContact O-SG 3.18Å; C17-C21 VanDerWaalsContact O-SG 3.37Å
18	S	46.8	Very low	44.4	Very low	65 Å²	65	107.3 Å²	107.3	46%	0.455	57%	0.568	S	S	.	*	H	α-helix	trans	-67	-43.3	176.7	-57.7	0	0	0	0	111.8	A14 S15 F16 C21 L22	A14-S18 WeakPolarHBondContact O-CB 3.36Å; A14-S18 PolarHBondContact O-N 2.77Å; A14-S18 PolarHBondContact O-OG 2.72Å; S15-S18 PolarHBondContact O-N 3.11Å; F16-S18 VanDerWaalsContact C-N 3.34Å; F16-S18 PolarHBondContact O-N 3.07Å; S18-C21 PolarHBondContact O-N 2.94Å; S18-L22 WeakPolarHBondContact O-CB 3.26Å; S18-L22 PolarHBondContact O-N 2.87Å
19	V	48.4	Very low	43.8	Very low	85 Å²	85	106.3 Å²	106.3	52%	0.515	56%	0.563	S	S	.	*	H	α-helix	trans	-67.2	-39.6	174.5	172.8	0	0	0	0	111.1	S15 F16 L22 C23	S15-V19 WeakPolarHBondContact O-CB 3.45Å; S15-V19 VanDerWaalsContact O-CG2 3.29Å; S15-V19 WeakPolarHBondContact O-CG2 3.14Å; S15-V19 PolarHBondContact O-N 3.4Å; F16-V19 PolarHBondContact O-N 2.95Å; V19-L22 PolarHBondContact O-N 3.35Å; V19-C23 WeakPolarHBondContact O-CB 3.07Å; V19-C23 PolarHBondContact O-N 3.44Å; V19-C23 PolarHBondContact O-SG 2.98Å
20	L	45.1	Very low	43.1	Very low	96 Å²	96	103.7 Å²	103.7	50%	0.503	55%	0.554	S	S	.	*	H	α-helix	trans	-65.1	-42.1	175.7	-149.8	89.4	0	0	0	111.2	F16 C17 C23 L24	F16-L20 VanDerWaalsContact O-CB 3.31Å; F16-L20 WeakPolarHBondContact O-CB 3.44Å; F16-L20 PolarHBondContact O-N 3.32Å; C17-L20 PolarHBondContact O-N 3.43Å; L20-C23 PolarHBondContact O-N 3.07Å; L20-L24 HydrophobicContact CD2-CD1 4.34Å; L20-L24 HydrophobicContact CG-CD1 4.43Å; L20-L24 VanDerWaalsContact O-CB 3.28Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 WeakPolarHBondContact O-CD1 3.42Å; L20-L24 WeakPolarHBondContact O-CG 3.45Å; L20-L24 PolarHBondContact O-N 2.86Å
21	C	45.9	Very low	42.8	Very low	80 Å²	80	104.8 Å²	104.8	54%	0.541	55%	0.55	S	S	.	*	H	α-helix	trans	-66.2	-40.5	175.1	-80.6	0	0	0	0	112.4	C17 S18 L24 R25	C17-C21 VanDerWaalsContact O-CB 3.25Å; C17-C21 WeakPolarHBondContact O-CB 3.36Å; C17-C21 PolarHBondContact O-N 3.26Å; C17-C21 PolarHBondContact O-SG 3.18Å; C17-C21 VanDerWaalsContact O-SG 3.37Å; S18-C21 PolarHBondContact O-N 2.94Å; C21-L24 PolarHBondContact O-N 3.16Å; C21-R25 WeakPolarHBondContact O-CB 3.3Å; C21-R25 PolarHBondContact O-N 3.36Å
22	L	40.7	Very low	42.3	Very low	106 Å²	106	103.5 Å²	103.5	56%	0.555	55%	0.548	S	S	*	.	H	α-helix	trans	-65.6	-42	173.1	-105.3	128.4	0	0	0	111.6	S18 V19 R25 F26	S18-L22 WeakPolarHBondContact O-CB 3.26Å; S18-L22 PolarHBondContact O-N 2.87Å; V19-L22 PolarHBondContact O-N 3.35Å; L22-R25 PolarHBondContact O-N 2.8Å; L22-F26 HydrophobicContact CD2-CD2 4.5Å; L22-F26 WeakPolarHBondContact O-CB 3.39Å; L22-F26 PolarHBondContact O-N 2.88Å
23	C	40.5	Very low	41.8	Very low	75 Å²	75	105.8 Å²	105.8	51%	0.507	55%	0.551	S	S	.	*	H	α-helix	trans	-65	-38.7	174.4	-76.7	0	0	0	0	112	V19 L20 R27	V19-C23 WeakPolarHBondContact O-CB 3.07Å; V19-C23 PolarHBondContact O-N 3.44Å; V19-C23 PolarHBondContact O-SG 2.98Å; L20-C23 PolarHBondContact O-N 3.07Å; C23-R27 VanDerWaalsContact O-CB 3.29Å; C23-R27 WeakPolarHBondContact O-CB 3.14Å; C23-R27 PolarHBondContact O-N 2.85Å
24	L	41.6	Very low	40.9	Very low	93 Å²	93	109.2 Å²	109.2	49%	0.487	56%	0.555	S	S	.	*	H	α-helix	trans	-70.1	-38.1	174.8	-74.5	167.3	0	0	0	112	L20 C21 R27 R28	L20-L24 HydrophobicContact CD2-CD1 4.34Å; L20-L24 HydrophobicContact CG-CD1 4.43Å; L20-L24 VanDerWaalsContact O-CB 3.28Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 WeakPolarHBondContact O-CD1 3.42Å; L20-L24 WeakPolarHBondContact O-CG 3.45Å; L20-L24 PolarHBondContact O-N 2.86Å; C21-L24 PolarHBondContact O-N 3.16Å; L24-R27 PolarHBondContact O-N 2.79Å; L24-R28 WeakPolarHBondContact O-CB 3.42Å; L24-R28 PolarHBondContact O-N 3.01Å
25	R	36.9	Very low	40.6	Very low	196 Å²	196	114.1 Å²	114.1	74%	0.74	57%	0.567	S	S	*	*	H	α-helix	trans	-63.5	-52	170.8	-110.9	178.9	165.2	175.5	-4.4	110.4	C21 L22 R27 R28 T29	C21-R25 WeakPolarHBondContact O-CB 3.3Å; C21-R25 PolarHBondContact O-N 3.36Å; L22-R25 PolarHBondContact O-N 2.8Å; R25-R27 VanDerWaalsContact C-N 3.29Å; R25-R27 PolarHBondContact O-N 3.29Å; R25-R28 CarbonylContact O-C 3.58Å; R25-R28 WeakPolarHBondContact O-CA 3.24Å; R25-R28 PolarHBondContact O-N 3.46Å; R25-T29 PolarHBondContact O-N 2.93Å; R25-T29 PolarHBondContact O-OG1 3.23Å
26	F	36.7	Very low	40.5	Very low	156 Å²	156	113.5 Å²	113.5	68%	0.684	56%	0.562	S	S	*	*	H	α-helix	trans	-60.1	-35.3	175.5	-102.8	-89.6	0	0	0	112.8	L22 G30	L22-F26 HydrophobicContact CD2-CD2 4.5Å; L22-F26 WeakPolarHBondContact O-CB 3.39Å; L22-F26 PolarHBondContact O-N 2.88Å; F26-G30 WeakPolarHBondContact O-CA 3.23Å; F26-G30 PolarHBondContact O-N 3.43Å
27	R	37.3	Very low	40.2	Very low	173 Å²	173	111.2 Å²	111.2	65%	0.653	55%	0.552	S	S	*	*	H	α-helix	trans	-66.6	-37.3	172.3	-116.7	177.4	167.4	-177	-1.2	112.5	C23 L24 R25 R31	C23-R27 VanDerWaalsContact O-CB 3.29Å; C23-R27 WeakPolarHBondContact O-CB 3.14Å; C23-R27 PolarHBondContact O-N 2.85Å; L24-R27 PolarHBondContact O-N 2.79Å; R25-R27 VanDerWaalsContact C-N 3.29Å; R25-R27 PolarHBondContact O-N 3.29Å; R27-R31 WeakPolarHBondContact O-CB 3.39Å; R27-R31 WeakPolarHBondContact O-CD 3.47Å; R27-R31 WeakPolarHBondContact O-CG 3.37Å; R27-R31 PolarHBondContact O-N 2.74Å
28	R	36.3	Very low	40.1	Very low	201 Å²	201	110.8 Å²	110.8	76%	0.758	54%	0.541	S	S	*	.	H	α-helix	trans	-72.3	-50.9	176.1	-95	-178.3	167.5	169.8	-3.6	111	L24 R25 R31 T32	L24-R28 WeakPolarHBondContact O-CB 3.42Å; L24-R28 PolarHBondContact O-N 3.01Å; R25-R28 CarbonylContact O-C 3.58Å; R25-R28 WeakPolarHBondContact O-CA 3.24Å; R25-R28 PolarHBondContact O-N 3.46Å; R28-R31 WeakPolarHBondContact O-CB 3.29Å; R28-R31 PolarHBondContact O-N 3.3Å; R28-T32 PolarHBondContact O-N 2.87Å; R28-T32 PolarHBondContact O-OG1 3.29Å
29	T	37.8	Very low	40.1	Very low	77 Å²	77	109.7 Å²	109.7	47%	0.472	54%	0.539	S	S	.	.	H	α-helix	trans	-64.6	-43.3	179	-32	0	0	0	0	111.1	R25 R31 T32 I33	R25-T29 PolarHBondContact O-N 2.93Å; R25-T29 PolarHBondContact O-OG1 3.23Å; T29-R31 PolarHBondContact O-N 2.8Å; T29-T32 PolarHBondContact O-N 2.88Å; T29-I33 HydrophobicContact CG2-CD1 4.1Å; T29-I33 WeakPolarHBondContact O-CB 3.37Å; T29-I33 WeakPolarHBondContact O-CD1 3.49Å; T29-I33 WeakPolarHBondContact O-CG1 3.4Å; T29-I33 PolarHBondContact O-N 2.91Å
30	G	33	Very low	40.2	Very low	36 Å²	36	110.5 Å²	110.5	37%	0.371	54%	0.538	S	S	.	.	H	α-helix	trans	-62.1	-38.3	172.9	0	0	0	0	0	112.5	F26 W34	F26-G30 WeakPolarHBondContact O-CA 3.23Å; F26-G30 PolarHBondContact O-N 3.43Å; G30-W34 WeakPolarHBondContact O-CB 3.4Å; G30-W34 PolarHBondContact O-N 2.95Å
31	R	39.1	Very low	40.3	Very low	136 Å²	136	106.9 Å²	106.9	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-65.8	-39	173.4	-87.5	174.7	177.2	-172	0.7	112.9	R27 R28 T29 K35	R27-R31 WeakPolarHBondContact O-CB 3.39Å; R27-R31 WeakPolarHBondContact O-CD 3.47Å; R27-R31 WeakPolarHBondContact O-CG 3.37Å; R27-R31 PolarHBondContact O-N 2.74Å; R28-R31 WeakPolarHBondContact O-CB 3.29Å; R28-R31 PolarHBondContact O-N 3.3Å; T29-R31 PolarHBondContact O-N 2.8Å; R31-K35 VanDerWaalsContact O-CB 3.25Å; R31-K35 WeakPolarHBondContact O-CB 3.42Å; R31-K35 VanDerWaalsContact O-CG 3.3Å; R31-K35 WeakPolarHBondContact O-CG 3.31Å; R31-K35 PolarHBondContact O-N 2.97Å
32	T	37.1	Very low	40.5	Very low	96 Å²	96	105.3 Å²	105.3	59%	0.589	50%	0.504	S	S	*	.	H	α-helix	trans	-71.5	-40.6	178.1	-47	0	0	0	0	111	R28 T29 K35 S36	R28-T32 PolarHBondContact O-N 2.87Å; R28-T32 PolarHBondContact O-OG1 3.29Å; T29-T32 PolarHBondContact O-N 2.88Å; T32-K35 PolarHBondContact O-N 3.35Å; T32-S36 WeakPolarHBondContact O-CB 3.39Å; T32-S36 PolarHBondContact O-N 3.08Å
33	I	34.3	Very low	41	Very low	108 Å²	108	101.5 Å²	101.5	55%	0.554	49%	0.488	S	S	*	.	H	α-helix	trans	-64.2	-43.9	173.9	-67.4	165.1	0	0	0	110.3	T29 S36 F37	T29-I33 HydrophobicContact CG2-CD1 4.1Å; T29-I33 WeakPolarHBondContact O-CB 3.37Å; T29-I33 WeakPolarHBondContact O-CD1 3.49Å; T29-I33 WeakPolarHBondContact O-CG1 3.4Å; T29-I33 PolarHBondContact O-N 2.91Å; I33-S36 PolarHBondContact O-N 3.15Å; I33-F37 WeakPolarHBondContact O-CB 3.26Å; I33-F37 PolarHBondContact O-N 2.83Å
34	W	33.6	Very low	41.8	Very low	149 Å²	149	104.5 Å²	104.5	56%	0.564	49%	0.489	S	S	*	.	H	α-helix	trans	-70.7	-37.5	178.9	-139.1	65.1	0	0	0	112.2	G30 F38	G30-W34 WeakPolarHBondContact O-CB 3.4Å; G30-W34 PolarHBondContact O-N 2.95Å; W34-F38 AromaticContact CD2-CD2 3.7Å; W34-F38 HydrophobicContact CD2-CD2 3.7Å; W34-F38 AromaticContact CD2-CE2 3.55Å; W34-F38 HydrophobicContact CD2-CE2 3.55Å; W34-F38 AromaticContact CE2-CD2 3.91Å; W34-F38 AromaticContact CE2-CE2 3.24Å; W34-F38 AromaticContact CE3-CD2 3.91Å; W34-F38 HydrophobicContact CE3-CD2 3.91Å; W34-F38 AromaticContact CE3-CE2 3.9Å; W34-F38 HydrophobicContact CE3-CE2 3.9Å; W34-F38 HydrophobicContact CG-CD2 4.07Å; W34-F38 HydrophobicContact CG-CE2 4.18Å; W34-F38 HydrophobicContact CH2-CD2 4.47Å; W34-F38 AromaticContact CH2-CE2 3.7Å; W34-F38 HydrophobicContact CH2-CE2 3.7Å; W34-F38 AromaticContact CH2-CZ 3.86Å; W34-F38 HydrophobicContact CH2-CZ 3.86Å; W34-F38 HydrophobicContact CZ2-CD2 4.31Å; W34-F38 AromaticContact CZ2-CE2 3.35Å; W34-F38 HydrophobicContact CZ2-CE2 3.35Å; W34-F38 AromaticContact CZ2-CZ 3.75Å; W34-F38 HydrophobicContact CZ2-CZ 3.75Å; W34-F38 HydrophobicContact CZ3-CD2 4.29Å; W34-F38 AromaticContact CZ3-CE2 3.96Å; W34-F38 HydrophobicContact CZ3-CE2 3.96Å; W34-F38 HydrophobicContact CZ3-CZ 4.34Å; W34-F38 AromaticContact NE1-CE2 3.66Å; W34-F38 VanDerWaalsContact O-CB 3.31Å; W34-F38 WeakPolarHBondContact O-CB 3.39Å; W34-F38 WeakPolarHBondContact O-CD2 3.28Å; W34-F38 PolarHBondContact O-N 2.93Å
35	K	38.7	Very low	42.7	Very low	159 Å²	159	101.7 Å²	101.7	69%	0.691	48%	0.475	S	S	*	.	H	α-helix	trans	-63.3	-45.4	171.4	-83.5	-174.3	171.7	-165.3	0	111.6	R31 T32 G39	R31-K35 VanDerWaalsContact O-CB 3.25Å; R31-K35 WeakPolarHBondContact O-CB 3.42Å; R31-K35 VanDerWaalsContact O-CG 3.3Å; R31-K35 WeakPolarHBondContact O-CG 3.31Å; R31-K35 PolarHBondContact O-N 2.97Å; T32-K35 PolarHBondContact O-N 3.35Å; K35-G39 WeakPolarHBondContact O-CA 3.29Å; K35-G39 PolarHBondContact O-N 2.81Å
36	S	44.9	Very low	43.8	Very low	60 Å²	60	99.8 Å²	99.8	42%	0.42	48%	0.475	S	S	.	.	H	α-helix	trans	-64.7	-43	177.2	-179.1	0	0	0	0	111.3	T32 I33 G39 Q40	T32-S36 WeakPolarHBondContact O-CB 3.39Å; T32-S36 PolarHBondContact O-N 3.08Å; I33-S36 PolarHBondContact O-N 3.15Å; S36-G39 PolarHBondContact O-N 2.88Å; S36-Q40 VanDerWaalsContact O-CB 3.26Å; S36-Q40 WeakPolarHBondContact O-CB 3.46Å; S36-Q40 WeakPolarHBondContact O-CG 3.47Å; S36-Q40 PolarHBondContact O-N 2.91Å
37	F	40.8	Very low	45.6	Very low	105 Å²	105	96.6 Å²	96.6	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-69.1	-47.8	179.5	-175.7	-107.6	0	0	0	112.4	I33 Q40 I41	I33-F37 WeakPolarHBondContact O-CB 3.26Å; I33-F37 PolarHBondContact O-N 2.83Å; F37-Q40 PolarHBondContact O-N 3.11Å; F37-I41 HydrophobicContact CD1-CD1 3.63Å; F37-I41 HydrophobicContact CD2-CD1 4.41Å; F37-I41 HydrophobicContact CE1-CD1 3.27Å; F37-I41 HydrophobicContact CE2-CD1 4.11Å; F37-I41 HydrophobicContact CG-CD1 4.2Å; F37-I41 HydrophobicContact CZ-CD1 3.55Å; F37-I41 WeakPolarHBondContact O-CB 3.47Å; F37-I41 VanDerWaalsContact O-CG1 3.27Å; F37-I41 WeakPolarHBondContact O-CG1 3.32Å; F37-I41 PolarHBondContact O-N 2.9Å
38	F	45.7	Very low	47.4	Very low	75 Å²	75	93.2 Å²	93.2	33%	0.329	46%	0.461	S	S	.	.	H	α-helix	trans	-65	-40.4	173.6	-89.8	-95.8	0	0	0	111.6	W34 Q40 I41 M42	W34-F38 AromaticContact CD2-CD2 3.7Å; W34-F38 HydrophobicContact CD2-CD2 3.7Å; W34-F38 AromaticContact CD2-CE2 3.55Å; W34-F38 HydrophobicContact CD2-CE2 3.55Å; W34-F38 AromaticContact CE2-CD2 3.91Å; W34-F38 AromaticContact CE2-CE2 3.24Å; W34-F38 AromaticContact CE3-CD2 3.91Å; W34-F38 HydrophobicContact CE3-CD2 3.91Å; W34-F38 AromaticContact CE3-CE2 3.9Å; W34-F38 HydrophobicContact CE3-CE2 3.9Å; W34-F38 HydrophobicContact CG-CD2 4.07Å; W34-F38 HydrophobicContact CG-CE2 4.18Å; W34-F38 HydrophobicContact CH2-CD2 4.47Å; W34-F38 AromaticContact CH2-CE2 3.7Å; W34-F38 HydrophobicContact CH2-CE2 3.7Å; W34-F38 AromaticContact CH2-CZ 3.86Å; W34-F38 HydrophobicContact CH2-CZ 3.86Å; W34-F38 HydrophobicContact CZ2-CD2 4.31Å; W34-F38 AromaticContact CZ2-CE2 3.35Å; W34-F38 HydrophobicContact CZ2-CE2 3.35Å; W34-F38 AromaticContact CZ2-CZ 3.75Å; W34-F38 HydrophobicContact CZ2-CZ 3.75Å; W34-F38 HydrophobicContact CZ3-CD2 4.29Å; W34-F38 AromaticContact CZ3-CE2 3.96Å; W34-F38 HydrophobicContact CZ3-CE2 3.96Å; W34-F38 HydrophobicContact CZ3-CZ 4.34Å; W34-F38 AromaticContact NE1-CE2 3.66Å; W34-F38 VanDerWaalsContact O-CB 3.31Å; W34-F38 WeakPolarHBondContact O-CB 3.39Å; W34-F38 WeakPolarHBondContact O-CD2 3.28Å; W34-F38 PolarHBondContact O-N 2.93Å; F38-Q40 PolarHBondContact O-N 2.9Å; F38-I41 PolarHBondContact O-N 2.77Å; F38-M42 WeakPolarHBondContact O-CB 3.39Å; F38-M42 WeakPolarHBondContact O-CG 3.27Å; F38-M42 PolarHBondContact O-N 3Å
39	G	48.3	Very low	49.5	Very low	41 Å²	41	88.7 Å²	88.7	42%	0.423	45%	0.451	S	S	.	.	H	α-helix	trans	-59.5	-44.3	174.1	0	0	0	0	0	112.3	K35 S36 M42 A43	K35-G39 WeakPolarHBondContact O-CA 3.29Å; K35-G39 PolarHBondContact O-N 2.81Å; S36-G39 PolarHBondContact O-N 2.88Å; G39-M42 CarbonylContact O-C 3.6Å; G39-M42 PolarHBondContact O-N 3.45Å; G39-A43 WeakPolarHBondContact O-CB 3.43Å; G39-A43 PolarHBondContact O-N 3.49Å
40	Q	49.5	Very low	51.5	Low	103 Å²	103	85.1 Å²	85.1	48%	0.481	43%	0.429	S	S	.	.	H	α-helix	trans	-69.1	-30.8	176.1	-76.1	178	5.9	0	0	113.8	S36 F37 F38	S36-Q40 VanDerWaalsContact O-CB 3.26Å; S36-Q40 WeakPolarHBondContact O-CB 3.46Å; S36-Q40 WeakPolarHBondContact O-CG 3.47Å; S36-Q40 PolarHBondContact O-N 2.91Å; F37-Q40 PolarHBondContact O-N 3.11Å; F38-Q40 PolarHBondContact O-N 2.9Å
41	I	48.7	Very low	53.8	Low	20 Å²	20	91.3 Å²	91.3	10%	0.103	44%	0.442	C	S	.	.	H	α-helix	trans	-71	-42	172.3	-72.6	169.7	0	0	0	110.2	F37 F38 A43 R44 L49 F50	F37-I41 HydrophobicContact CD1-CD1 3.63Å; F37-I41 HydrophobicContact CD2-CD1 4.41Å; F37-I41 HydrophobicContact CE1-CD1 3.27Å; F37-I41 HydrophobicContact CE2-CD1 4.11Å; F37-I41 HydrophobicContact CG-CD1 4.2Å; F37-I41 HydrophobicContact CZ-CD1 3.55Å; F37-I41 WeakPolarHBondContact O-CB 3.47Å; F37-I41 VanDerWaalsContact O-CG1 3.27Å; F37-I41 WeakPolarHBondContact O-CG1 3.32Å; F37-I41 PolarHBondContact O-N 2.9Å; F38-I41 PolarHBondContact O-N 2.77Å; I41-A43 VanDerWaalsContact C-N 3.26Å; I41-A43 PolarHBondContact O-N 2.88Å; I41-R44 PolarHBondContact O-N 2.73Å; I41-L49 HydrophobicContact CG2-CB 4.5Å; I41-F50 HydrophobicContact CG2-CB 4.29Å; I41-F50 WeakPolarHBondContact O-CD2 3.3Å
42	M	50.1	Low	56	Low	46 Å²	46	89.7 Å²	89.7	23%	0.227	44%	0.442	C	S	.	.	H	α-helix	trans	-75	-12.2	178.4	-64.3	-62.6	-70	0	0	113.9	F38 G39 F50 R236 F238	F38-M42 WeakPolarHBondContact O-CB 3.39Å; F38-M42 WeakPolarHBondContact O-CG 3.27Å; F38-M42 PolarHBondContact O-N 3Å; G39-M42 CarbonylContact O-C 3.6Å; G39-M42 PolarHBondContact O-N 3.45Å; M42-F50 HydrophobicContact CE-CD2 4.43Å; M42-F50 HydrophobicContact CE-CE2 3.64Å; M42-F50 HydrophobicContact CE-CZ 4.47Å; M42-F50 HydrophobicContact SD-CD2 3.68Å; M42-F50 HydrophobicContact SD-CE2 3.5Å; M42-F50 WeakPolarHBondContact SD-CE2 3.34Å; M42-R236 PolarHBondContact O-NH1 3.19Å; M42-F238 HydrophobicContact CE-CE1 4.43Å; M42-F238 HydrophobicContact CE-CZ 4.4Å
43	A	49.7	Very low	58.3	Low	27 Å²	27	86.3 Å²	86.3	22%	0.223	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.7	175.9	0	0	0	0	0	113.6	G39 I41	G39-A43 WeakPolarHBondContact O-CB 3.43Å; G39-A43 PolarHBondContact O-N 3.49Å; I41-A43 VanDerWaalsContact C-N 3.26Å; I41-A43 PolarHBondContact O-N 2.88Å
44	R	57.7	Low	60.7	Low	138 Å²	138	81.9 Å²	81.9	52%	0.521	40%	0.4	S	S	.	.			trans	-132.5	93.6	-179.9	-67.3	-172	-175.5	-175.7	4.1	110.8	I41 E46 K47 F50	I41-R44 PolarHBondContact O-N 2.73Å; R44-E46 PolarHBondContact O-N 3.41Å; R44-E46 VanDerWaalsContact O-N 3.12Å; R44-K47 HydrophobicContact CB-CD 4.1Å; R44-K47 HydrophobicContact CB-CG 4.11Å; R44-K47 PolarHBondContact O-N 2.77Å; R44-F50 WeakPolarHBondContact O-CB 3.31Å
45	T	60.8	Low	63.2	Low	33 Å²	33	77.9 Å²	77.9	20%	0.202	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.2	-177.8	56.4	0	0	0	0	113.5	F50 F238	T45-F50 HydrophobicContact CG2-CE1 4.24Å; T45-F50 HydrophobicContact CG2-CZ 4.26Å; T45-F50 VanDerWaalsContact O-CD1 3.25Å; T45-F50 WeakPolarHBondContact O-CD1 3.49Å; T45-F238 HydrophobicContact CG2-CD1 3.64Å; T45-F238 HydrophobicContact CG2-CE1 4.1Å
46	E	59.6	Low	65.6	Low	156 Å²	156	74 Å²	74	73%	0.729	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.9	-179.3	-62.6	175.4	-177.6	0	0	114.6	R44	R44-E46 PolarHBondContact O-N 3.41Å; R44-E46 VanDerWaalsContact O-N 3.12Å
47	K	73.9	Confident	67.6	Low	90 Å²	90	72.7 Å²	72.7	39%	0.391	37%	0.365	S	S	.	.	S	Bend	trans	-77.4	138.2	-174.6	-72	-175.5	172.9	176.4	0	111.8	R44 L49 F50 R51	R44-K47 HydrophobicContact CB-CD 4.1Å; R44-K47 HydrophobicContact CB-CG 4.11Å; R44-K47 PolarHBondContact O-N 2.77Å; K47-L49 VanDerWaalsContact C-N 3.26Å; K47-L49 PolarHBondContact O-N 2.88Å; K47-F50 HydrophobicContact CB-CB 4.37Å; K47-F50 VanDerWaalsContact O-CB 3.28Å; K47-F50 WeakPolarHBondContact O-CB 3.49Å; K47-F50 PolarHBondContact O-N 2.91Å; K47-R51 PolarHBondContact O-N 3.47Å
48	P	75.3	Confident	69.8	Low	101 Å²	101	68.9 Å²	68.9	66%	0.656	35%	0.35	S	S	*	.	H	α-helix	trans	-54.7	-38.9	176	-28	34.6	0	0	0	114	F50 R51 I52	P48-F50 VanDerWaalsContact C-N 3.31Å; P48-F50 PolarHBondContact O-N 2.99Å; P48-R51 PolarHBondContact O-N 3.17Å; P48-I52 WeakPolarHBondContact O-CG1 3.41Å; P48-I52 PolarHBondContact O-N 3.47Å; P48-I52 VanDerWaalsContact O-N 3.1Å
49	L	80.3	Confident	71.7	Confident	107 Å²	107	75 Å²	75	56%	0.56	37%	0.371	S	S	*	.	H	α-helix	trans	-63.6	-35.2	176.5	-71.6	173.9	0	0	0	112.9	I41 K47 A53	I41-L49 HydrophobicContact CG2-CB 4.5Å; K47-L49 VanDerWaalsContact C-N 3.26Å; K47-L49 PolarHBondContact O-N 2.88Å; L49-A53 WeakPolarHBondContact O-CB 3.38Å; L49-A53 PolarHBondContact O-N 2.83Å
50	F	81.4	Confident	73.6	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.009	36%	0.364	C	S	.	.	H	α-helix	trans	-61.5	-50.8	173.5	170.1	-93.3	0	0	0	110	I41 M42 R44 T45 K47 P48 I52 A53 Y54 F238	I41-F50 HydrophobicContact CG2-CB 4.29Å; I41-F50 WeakPolarHBondContact O-CD2 3.3Å; M42-F50 HydrophobicContact CE-CD2 4.43Å; M42-F50 HydrophobicContact CE-CE2 3.64Å; M42-F50 HydrophobicContact CE-CZ 4.47Å; M42-F50 HydrophobicContact SD-CD2 3.68Å; M42-F50 HydrophobicContact SD-CE2 3.5Å; M42-F50 WeakPolarHBondContact SD-CE2 3.34Å; R44-F50 WeakPolarHBondContact O-CB 3.31Å; T45-F50 HydrophobicContact CG2-CE1 4.24Å; T45-F50 HydrophobicContact CG2-CZ 4.26Å; T45-F50 VanDerWaalsContact O-CD1 3.25Å; T45-F50 WeakPolarHBondContact O-CD1 3.49Å; K47-F50 HydrophobicContact CB-CB 4.37Å; K47-F50 VanDerWaalsContact O-CB 3.28Å; K47-F50 WeakPolarHBondContact O-CB 3.49Å; K47-F50 PolarHBondContact O-N 2.91Å; P48-F50 VanDerWaalsContact C-N 3.31Å; P48-F50 PolarHBondContact O-N 2.99Å; F50-I52 VanDerWaalsContact C-N 3.28Å; F50-I52 PolarHBondContact O-N 2.88Å; F50-A53 PolarHBondContact O-N 2.88Å; F50-A53 VanDerWaalsContact O-N 3.16Å; F50-Y54 HydrophobicContact CE1-CD1 4.38Å; F50-Y54 HydrophobicContact CE1-CG 4.05Å; F50-Y54 HydrophobicContact CZ-CD1 4.44Å; F50-Y54 AromaticContact CZ-CD2 3.87Å; F50-Y54 HydrophobicContact CZ-CD2 3.87Å; F50-Y54 AromaticContact CZ-CG 3.76Å; F50-Y54 HydrophobicContact CZ-CG 3.76Å; F50-Y54 WeakPolarHBondContact O-CB 3.34Å; F50-Y54 PolarHBondContact O-N 2.96Å; F50-F238 HydrophobicContact CE1-CD1 4.01Å; F50-F238 AromaticContact CE2-CD1 3.89Å; F50-F238 HydrophobicContact CE2-CD1 3.89Å; F50-F238 AromaticContact CE2-CE1 3.63Å; F50-F238 HydrophobicContact CE2-CE1 3.63Å; F50-F238 AromaticContact CZ-CD1 3.19Å; F50-F238 HydrophobicContact CZ-CD1 3.19Å; F50-F238 AromaticContact CZ-CE1 3.44Å; F50-F238 HydrophobicContact CZ-CE1 3.44Å; F50-F238 VanDerWaalsContact CZ-CE1 3.44Å; F50-F238 HydrophobicContact CZ-CG 4.2Å
51	R	81.4	Confident	75.4	Confident	166 Å²	166	79 Å²	79	63%	0.626	38%	0.379	S	S	*	.	H	α-helix	trans	-58.5	-40.1	-179.1	-66.6	-174.1	178	-176.6	-1	112.3	K47 P48 T55	K47-R51 PolarHBondContact O-N 3.47Å; P48-R51 PolarHBondContact O-N 3.17Å; R51-T55 VanDerWaalsContact O-CB 3.25Å; R51-T55 WeakPolarHBondContact O-CB 3.46Å; R51-T55 PolarHBondContact O-N 2.87Å; R51-T55 PolarHBondContact O-OG1 3.25Å
52	I	84.3	Confident	77.4	Confident	102 Å²	102	82.9 Å²	82.9	52%	0.523	40%	0.4	S	S	.	.	H	α-helix	trans	-64.6	-53.3	175.1	-64.4	168	0	0	0	110.5	P48 F50 Y54 T55 L56	P48-I52 WeakPolarHBondContact O-CG1 3.41Å; P48-I52 PolarHBondContact O-N 3.47Å; P48-I52 VanDerWaalsContact O-N 3.1Å; F50-I52 VanDerWaalsContact C-N 3.28Å; F50-I52 PolarHBondContact O-N 2.88Å; I52-Y54 VanDerWaalsContact C-N 3.33Å; I52-Y54 PolarHBondContact O-N 2.68Å; I52-T55 PolarHBondContact O-N 3.49Å; I52-L56 HydrophobicContact CG2-CD1 4.28Å; I52-L56 WeakPolarHBondContact O-CG 3.35Å; I52-L56 PolarHBondContact O-N 3Å
53	A	84.6	Confident	79.2	Confident	25 Å²	25	80.8 Å²	80.8	21%	0.207	39%	0.39	C	S	.	.	H	α-helix	trans	-60.8	-42.2	-178.6	0	0	0	0	0	112.3	L49 F50 L56 Y57	L49-A53 WeakPolarHBondContact O-CB 3.38Å; L49-A53 PolarHBondContact O-N 2.83Å; F50-A53 PolarHBondContact O-N 2.88Å; F50-A53 VanDerWaalsContact O-N 3.16Å; A53-L56 WeakPolarHBondContact O-CB 3.4Å; A53-L56 PolarHBondContact O-N 3.2Å; A53-Y57 PolarHBondContact O-N 3.41Å
54	Y	86.4	Confident	81	Confident	15 Å²	15	83.8 Å²	83.8	6%	0.059	40%	0.396	C	S	.	.	H	α-helix	trans	-67.7	-37.8	177.7	-178.5	-105.1	0	0	0	112.2	F50 I52 Y57 T58 H148 F238 E239	F50-Y54 HydrophobicContact CE1-CD1 4.38Å; F50-Y54 HydrophobicContact CE1-CG 4.05Å; F50-Y54 HydrophobicContact CZ-CD1 4.44Å; F50-Y54 AromaticContact CZ-CD2 3.87Å; F50-Y54 HydrophobicContact CZ-CD2 3.87Å; F50-Y54 AromaticContact CZ-CG 3.76Å; F50-Y54 HydrophobicContact CZ-CG 3.76Å; F50-Y54 WeakPolarHBondContact O-CB 3.34Å; F50-Y54 PolarHBondContact O-N 2.96Å; I52-Y54 VanDerWaalsContact C-N 3.33Å; I52-Y54 PolarHBondContact O-N 2.68Å; Y54-Y57 HydrophobicContact CD2-CD1 4.46Å; Y54-Y57 PolarHBondContact O-N 3.35Å; Y54-T58 HydrophobicContact CD2-CG2 4.26Å; Y54-T58 HydrophobicContact CE1-CG2 4.07Å; Y54-T58 HydrophobicContact CE2-CG2 3.78Å; Y54-T58 WeakPolarHBondContact O-CG2 3.31Å; Y54-T58 PolarHBondContact O-N 2.8Å; Y54-T58 PolarHBondContact O-OG1 2.83Å; Y54-H148 AromaticContact CE2-CE1 3.92Å; Y54-H148 AromaticContact CE2-NE2 3.45Å; Y54-H148 WeakPolarHBondContact CE2-NE2 3.44Å; Y54-H148 AromaticContact CZ-NE2 3.53Å; Y54-H148 PolarHBondContact OH-NE2 2.97Å; Y54-F238 HydrophobicContact CE1-CB 4.44Å; Y54-F238 HydrophobicContact CE2-CB 4.24Å; Y54-F238 HydrophobicContact CE2-CD2 4.3Å; Y54-F238 HydrophobicContact CE2-CG 4.18Å; Y54-E239 HydrophobicContact CE1-CG 3.87Å; Y54-E239 WeakPolarHBondContact CE1-OE1 3.4Å; Y54-E239 VanDerWaalsContact CZ-OE1 3.31Å; Y54-E239 VanDerWaalsContact OH-CD 3.3Å; Y54-E239 PolarHBondContact OH-OE1 2.7Å
55	T	86.4	Confident	82.6	Confident	65 Å²	65	82.7 Å²	82.7	40%	0.399	40%	0.398	S	S	.	.	H	α-helix	trans	-63	-42.3	171.1	-60.4	0	0	0	0	111.1	R51 I52 Y57 T58 R59	R51-T55 VanDerWaalsContact O-CB 3.25Å; R51-T55 WeakPolarHBondContact O-CB 3.46Å; R51-T55 PolarHBondContact O-N 2.87Å; R51-T55 PolarHBondContact O-OG1 3.25Å; I52-T55 PolarHBondContact O-N 3.49Å; T55-Y57 VanDerWaalsContact C-N 3.33Å; T55-Y57 PolarHBondContact O-N 2.84Å; T55-T58 PolarHBondContact O-N 2.74Å; T55-R59 HydrophobicContact CG2-CB 4.45Å; T55-R59 HydrophobicContact CG2-CG 4.29Å; T55-R59 WeakPolarHBondContact O-CB 3.46Å; T55-R59 PolarHBondContact O-N 3.12Å
56	L	88.1	Confident	84	Confident	76 Å²	76	86.5 Å²	86.5	40%	0.398	41%	0.41	S	S	.	.	H	α-helix	trans	-63	-40.4	175.4	-68	174	0	0	0	111.8	I52 A53 T60 L62 G63	I52-L56 HydrophobicContact CG2-CD1 4.28Å; I52-L56 WeakPolarHBondContact O-CG 3.35Å; I52-L56 PolarHBondContact O-N 3Å; A53-L56 WeakPolarHBondContact O-CB 3.4Å; A53-L56 PolarHBondContact O-N 3.2Å; L56-T60 HydrophobicContact CD2-CG2 4.01Å; L56-T60 PolarHBondContact O-N 3.03Å; L56-T60 PolarHBondContact O-OG1 3.19Å; L56-L62 HydrophobicContact CD2-CD1 4.41Å; L56-G63 PolarHBondContact O-N 2.81Å
57	Y	87.6	Confident	85.6	Confident	34 Å²	34	79.3 Å²	79.3	13%	0.133	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-47.9	175.8	175	-113.4	0	0	0	112.2	A53 Y54 T55 G63 Y66 H148 W149 D150	A53-Y57 PolarHBondContact O-N 3.41Å; Y54-Y57 HydrophobicContact CD2-CD1 4.46Å; Y54-Y57 PolarHBondContact O-N 3.35Å; T55-Y57 VanDerWaalsContact C-N 3.33Å; T55-Y57 PolarHBondContact O-N 2.84Å; Y57-G63 VanDerWaalsContact O-CA 3.29Å; Y57-G63 WeakPolarHBondContact O-CA 3.4Å; Y57-Y66 HydrophobicContact CD2-CD1 4.05Å; Y57-Y66 AromaticContact CE2-CD1 3.91Å; Y57-Y66 HydrophobicContact CE2-CD1 3.91Å; Y57-Y66 HydrophobicContact CE2-CE1 4.4Å; Y57-H148 HydrophobicContact CE1-CB 4.26Å; Y57-W149 HydrophobicContact CE2-CB 4.36Å; Y57-W149 AromaticContact CE2-CD1 3.68Å; Y57-W149 HydrophobicContact CE2-CG 4.41Å; Y57-W149 AromaticContact CZ-CD1 3.89Å; Y57-W149 PolarHBondContact O-NE1 2.95Å; Y57-W149 PolarHBondContact OH-N 2.78Å; Y57-D150 PolarHBondContact OH-OD1 3.46Å
58	T	86.9	Confident	86.5	Confident	24 Å²	24	79.8 Å²	79.8	15%	0.147	38%	0.378	C	S	.	.	H	α-helix	trans	-84.7	-31.2	-172.7	53.9	0	0	0	0	113.8	Y54 T55 K147	Y54-T58 HydrophobicContact CD2-CG2 4.26Å; Y54-T58 HydrophobicContact CE1-CG2 4.07Å; Y54-T58 HydrophobicContact CE2-CG2 3.78Å; Y54-T58 WeakPolarHBondContact O-CG2 3.31Å; Y54-T58 PolarHBondContact O-N 2.8Å; Y54-T58 PolarHBondContact O-OG1 2.83Å; T55-T58 PolarHBondContact O-N 2.74Å; T58-K147 HydrophobicContact CG2-CD 4.49Å
59	R	84.6	Confident	87.4	Confident	203 Å²	203	79.7 Å²	79.7	77%	0.766	36%	0.364	S	S	*	.	H	α-helix	trans	-109.4	-5.2	-168.9	-58.1	-162.4	177	-167	-3.9	115.8	T55	T55-R59 HydrophobicContact CG2-CB 4.45Å; T55-R59 HydrophobicContact CG2-CG 4.29Å; T55-R59 WeakPolarHBondContact O-CB 3.46Å; T55-R59 PolarHBondContact O-N 3.12Å
60	T	87.9	Confident	87.9	Confident	47 Å²	47	77.5 Å²	77.5	29%	0.288	35%	0.351	S	S	.	.	S	Bend	trans	-127.1	164.4	-173.3	81.8	0	0	0	0	113.2	L56 L62 G63	L56-T60 HydrophobicContact CD2-CG2 4.01Å; L56-T60 PolarHBondContact O-N 3.03Å; L56-T60 PolarHBondContact O-OG1 3.19Å; T60-L62 PolarHBondContact O-N 2.8Å; T60-L62 WeakPolarHBondContact OG1-CB 3.06Å; T60-L62 PolarHBondContact OG1-N 2.8Å; T60-L62 VanDerWaalsContact OG1-N 3.16Å; T60-G63 PolarHBondContact O-N 3.14Å
61	K	88.7	Confident	88.4	Confident	182 Å²	182	78 Å²	78	79%	0.791	35%	0.354	S	S	*	.	H	α-helix	trans	-60.5	-21.5	171.9	-68.6	-175.4	179.6	177.6	0	112.7	Y64 M65	K61-Y64 PolarHBondContact O-N 3.01Å; K61-M65 VanDerWaalsContact O-CG 3.28Å; K61-M65 WeakPolarHBondContact O-CG 3.5Å; K61-M65 PolarHBondContact O-N 2.77Å
62	L	89.9	Confident	88.9	Confident	102 Å²	102	77.4 Å²	77.4	53%	0.534	35%	0.352	S	S	.	.	H	α-helix	trans	-65.3	-40.7	177.8	-65.1	173.7	0	0	0	111.5	L56 T60 M65 Y66	L56-L62 HydrophobicContact CD2-CD1 4.41Å; T60-L62 PolarHBondContact O-N 2.8Å; T60-L62 WeakPolarHBondContact OG1-CB 3.06Å; T60-L62 PolarHBondContact OG1-N 2.8Å; T60-L62 VanDerWaalsContact OG1-N 3.16Å; L62-M65 HydrophobicContact CD2-SD 4.43Å; L62-M65 WeakPolarHBondContact O-CB 3.49Å; L62-M65 PolarHBondContact O-N 3.2Å; L62-Y66 WeakPolarHBondContact O-CB 3.18Å; L62-Y66 PolarHBondContact O-N 3.37Å
63	G	88.2	Confident	89.3	Confident	2 Å²	2	76.1 Å²	76.1	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-45.9	173.7	0	0	0	0	0	112.5	L56 Y57 T60 M65 Y66 Y67	L56-G63 PolarHBondContact O-N 2.81Å; Y57-G63 VanDerWaalsContact O-CA 3.29Å; Y57-G63 WeakPolarHBondContact O-CA 3.4Å; T60-G63 PolarHBondContact O-N 3.14Å; G63-M65 VanDerWaalsContact C-N 3.3Å; G63-M65 PolarHBondContact O-N 3.07Å; G63-Y66 WeakPolarHBondContact O-CA 3.39Å; G63-Y66 WeakPolarHBondContact O-CB 3.34Å; G63-Y66 PolarHBondContact O-N 2.94Å; G63-Y66 VanDerWaalsContact O-N 3.07Å; G63-Y67 PolarHBondContact O-N 2.81Å
64	Y	88.1	Confident	89.7	Confident	89 Å²	89	75.3 Å²	75.3	35%	0.349	34%	0.336	S	S	.	.	H	α-helix	trans	-60.5	-37.9	173.8	-177.2	-114.7	0	0	0	112.6	K61 Y67 K68 W149	K61-Y64 PolarHBondContact O-N 3.01Å; Y64-Y67 AromaticContact CD2-CD1 3.66Å; Y64-Y67 HydrophobicContact CD2-CD1 3.66Å; Y64-Y67 AromaticContact CD2-CE1 3.97Å; Y64-Y67 HydrophobicContact CD2-CE1 3.97Å; Y64-Y67 AromaticContact CE2-CD1 3.81Å; Y64-Y67 HydrophobicContact CE2-CD1 3.81Å; Y64-Y67 AromaticContact CE2-CE1 3.62Å; Y64-Y67 HydrophobicContact CE2-CE1 3.62Å; Y64-K68 HydrophobicContact CD1-CD 4.32Å; Y64-K68 HydrophobicContact CE1-CD 3.69Å; Y64-K68 HydrophobicContact CE1-CG 4.34Å; Y64-K68 VanDerWaalsContact CE1-NZ 3.3Å; Y64-K68 HydrophobicContact CE2-CD 4.47Å; Y64-K68 HydrophobicContact CE2-CG 4.37Å; Y64-K68 WeakPolarHBondContact O-CG 3.02Å; Y64-K68 PolarHBondContact O-N 2.8Å; Y64-W149 HydrophobicContact CD2-CD2 4.27Å; Y64-W149 AromaticContact CD2-CE3 3.77Å; Y64-W149 HydrophobicContact CD2-CE3 3.77Å; Y64-W149 AromaticContact CD2-CH2 3.95Å; Y64-W149 HydrophobicContact CD2-CH2 3.95Å; Y64-W149 HydrophobicContact CD2-CZ2 4.44Å; Y64-W149 AromaticContact CD2-CZ3 3.59Å; Y64-W149 HydrophobicContact CD2-CZ3 3.59Å; Y64-W149 HydrophobicContact CE2-CE3 4.49Å; Y64-W149 HydrophobicContact CE2-CZ3 4.23Å; Y64-W149 HydrophobicContact CG-CH2 4.39Å; Y64-W149 HydrophobicContact CG-CZ3 4.45Å
65	M	91.6	Very high	89.8	Confident	116 Å²	116	79.7 Å²	79.7	57%	0.571	35%	0.352	S	S	*	.	H	α-helix	trans	-66.5	-38.1	173.4	-71.8	174	65.7	0	0	112.5	K61 L62 G63 R69	K61-M65 VanDerWaalsContact O-CG 3.28Å; K61-M65 WeakPolarHBondContact O-CG 3.5Å; K61-M65 PolarHBondContact O-N 2.77Å; L62-M65 HydrophobicContact CD2-SD 4.43Å; L62-M65 WeakPolarHBondContact O-CB 3.49Å; L62-M65 PolarHBondContact O-N 3.2Å; G63-M65 VanDerWaalsContact C-N 3.3Å; G63-M65 PolarHBondContact O-N 3.07Å; M65-R69 WeakPolarHBondContact O-CB 3.47Å; M65-R69 PolarHBondContact O-N 2.67Å; M65-R69 VanDerWaalsContact O-N 3.07Å
66	Y	90.1	Very high	90.1	Very high	113 Å²	113	83.1 Å²	83.1	44%	0.443	36%	0.363	S	S	.	.	H	α-helix	trans	-64.1	-48.3	175.6	175.9	-98.1	0	0	0	111.3	Y57 L62 G63 K68 R69 Q70	Y57-Y66 HydrophobicContact CD2-CD1 4.05Å; Y57-Y66 AromaticContact CE2-CD1 3.91Å; Y57-Y66 HydrophobicContact CE2-CD1 3.91Å; Y57-Y66 HydrophobicContact CE2-CE1 4.4Å; L62-Y66 WeakPolarHBondContact O-CB 3.18Å; L62-Y66 PolarHBondContact O-N 3.37Å; G63-Y66 WeakPolarHBondContact O-CA 3.39Å; G63-Y66 WeakPolarHBondContact O-CB 3.34Å; G63-Y66 PolarHBondContact O-N 2.94Å; G63-Y66 VanDerWaalsContact O-N 3.07Å; Y66-K68 PolarHBondContact O-N 2.97Å; Y66-R69 CarbonylContact O-C 3.56Å; Y66-R69 WeakPolarHBondContact O-CA 3.39Å; Y66-R69 WeakPolarHBondContact O-CB 3.44Å; Y66-R69 PolarHBondContact O-N 2.76Å; Y66-R69 VanDerWaalsContact O-N 3.09Å; Y66-Q70 HydrophobicContact CD1-CG 4.36Å; Y66-Q70 VanDerWaalsContact CD1-OE1 3.3Å; Y66-Q70 HydrophobicContact CE1-CG 3.94Å; Y66-Q70 PolarHBondContact O-N 3.21Å; Y66-Q70 PolarHBondContact OH-NE2 3.29Å
67	Y	92.3	Very high	90.3	Very high	4 Å²	4	85.9 Å²	85.9	2%	0.016	37%	0.374	C	S	.	.	H	α-helix	trans	-55	-51.6	173.1	148.8	-103.7	0	0	0	111.9	G63 Y64 R69 Q70 M71 A123 W149 G153	G63-Y67 PolarHBondContact O-N 2.81Å; Y64-Y67 AromaticContact CD2-CD1 3.66Å; Y64-Y67 HydrophobicContact CD2-CD1 3.66Å; Y64-Y67 AromaticContact CD2-CE1 3.97Å; Y64-Y67 HydrophobicContact CD2-CE1 3.97Å; Y64-Y67 AromaticContact CE2-CD1 3.81Å; Y64-Y67 HydrophobicContact CE2-CD1 3.81Å; Y64-Y67 AromaticContact CE2-CE1 3.62Å; Y64-Y67 HydrophobicContact CE2-CE1 3.62Å; Y67-R69 PolarHBondContact O-N 2.82Å; Y67-R69 VanDerWaalsContact O-N 3.14Å; Y67-Q70 CarbonylContact O-C 3.6Å; Y67-Q70 WeakPolarHBondContact O-CA 3.42Å; Y67-Q70 WeakPolarHBondContact O-CB 3.05Å; Y67-Q70 PolarHBondContact O-N 3.24Å; Y67-M71 HydrophobicContact CD1-SD 4.47Å; Y67-M71 HydrophobicContact CD2-CG 3.97Å; Y67-M71 HydrophobicContact CD2-SD 4.26Å; Y67-M71 HydrophobicContact CE1-SD 3.72Å; Y67-M71 HydrophobicContact CE2-CE 4.47Å; Y67-M71 HydrophobicContact CE2-CG 3.53Å; Y67-M71 HydrophobicContact CE2-SD 3.46Å; Y67-M71 WeakPolarHBondContact CE2-SD 3.34Å; Y67-M71 WeakPolarHBondContact O-CG 3.44Å; Y67-M71 PolarHBondContact O-N 3.5Å; Y67-M71 PolarHBondContact OH-SD 3.44Å; Y67-A123 PolarHBondContact OH-O 3.4Å; Y67-W149 HydrophobicContact CD1-CB 4.35Å; Y67-W149 HydrophobicContact CD2-CB 3.95Å; Y67-W149 WeakPolarHBondContact CD2-O 3.36Å; Y67-W149 WeakPolarHBondContact CE2-O 3.45Å; Y67-W149 HydrophobicContact CG-CB 3.68Å; Y67-W149 HydrophobicContact CG-CG 4.4Å; Y67-G153 VanDerWaalsContact OH-C 3.28Å; Y67-G153 PolarHBondContact OH-O 3.3Å
68	K	92.4	Very high	90.5	Very high	101 Å²	101	87.1 Å²	87.1	44%	0.439	38%	0.381	S	S	.	.	H	α-helix	trans	-57.8	-34.2	176.9	-76.7	-167.4	-70.6	-175.3	0	112.8	Y64 Y66 R72	Y64-K68 HydrophobicContact CD1-CD 4.32Å; Y64-K68 HydrophobicContact CE1-CD 3.69Å; Y64-K68 HydrophobicContact CE1-CG 4.34Å; Y64-K68 VanDerWaalsContact CE1-NZ 3.3Å; Y64-K68 HydrophobicContact CE2-CD 4.47Å; Y64-K68 HydrophobicContact CE2-CG 4.37Å; Y64-K68 WeakPolarHBondContact O-CG 3.02Å; Y64-K68 PolarHBondContact O-N 2.8Å; Y66-K68 PolarHBondContact O-N 2.97Å; K68-R72 PolarHBondContact O-N 3.18Å; K68-R72 VanDerWaalsContact O-N 3.13Å
69	R	93.4	Very high	90.6	Very high	98 Å²	98	91.1 Å²	91.1	37%	0.37	41%	0.407	S	S	.	.	H	α-helix	trans	-71.1	-38	174.7	-177.5	-176.8	179.8	-167.4	-0	111.9	M65 Y66 Y67 K73	M65-R69 WeakPolarHBondContact O-CB 3.47Å; M65-R69 PolarHBondContact O-N 2.67Å; M65-R69 VanDerWaalsContact O-N 3.07Å; Y66-R69 CarbonylContact O-C 3.56Å; Y66-R69 WeakPolarHBondContact O-CA 3.39Å; Y66-R69 WeakPolarHBondContact O-CB 3.44Å; Y66-R69 PolarHBondContact O-N 2.76Å; Y66-R69 VanDerWaalsContact O-N 3.09Å; Y67-R69 PolarHBondContact O-N 2.82Å; Y67-R69 VanDerWaalsContact O-N 3.14Å; R69-K73 WeakPolarHBondContact O-CG 3.25Å; R69-K73 PolarHBondContact O-N 2.82Å
70	Q	91.8	Very high	90.8	Very high	62 Å²	62	87.6 Å²	87.6	29%	0.29	41%	0.408	S	S	.	.	H	α-helix	trans	-63.3	-48.3	173.6	-75.3	176.5	-62.5	0	0	110.7	Y66 Y67 R72 K73 A74	Y66-Q70 HydrophobicContact CD1-CG 4.36Å; Y66-Q70 VanDerWaalsContact CD1-OE1 3.3Å; Y66-Q70 HydrophobicContact CE1-CG 3.94Å; Y66-Q70 PolarHBondContact O-N 3.21Å; Y66-Q70 PolarHBondContact OH-NE2 3.29Å; Y67-Q70 CarbonylContact O-C 3.6Å; Y67-Q70 WeakPolarHBondContact O-CA 3.42Å; Y67-Q70 WeakPolarHBondContact O-CB 3.05Å; Y67-Q70 PolarHBondContact O-N 3.24Å; Q70-R72 VanDerWaalsContact C-N 3.33Å; Q70-R72 PolarHBondContact O-N 3.46Å; Q70-K73 PolarHBondContact O-N 3.38Å; Q70-K73 VanDerWaalsContact O-N 3.15Å; Q70-A74 WeakPolarHBondContact O-CB 3.32Å; Q70-A74 PolarHBondContact O-N 2.87Å
71	M	92.1	Very high	91	Very high	13 Å²	13	86.4 Å²	86.4	6%	0.064	41%	0.405	C	S	.	.	H	α-helix	trans	-52.2	-50.1	174.4	-66.7	-179.2	84.9	0	0	112.4	Y67 K73 A74 R75 L101 D124	Y67-M71 HydrophobicContact CD1-SD 4.47Å; Y67-M71 HydrophobicContact CD2-CG 3.97Å; Y67-M71 HydrophobicContact CD2-SD 4.26Å; Y67-M71 HydrophobicContact CE1-SD 3.72Å; Y67-M71 HydrophobicContact CE2-CE 4.47Å; Y67-M71 HydrophobicContact CE2-CG 3.53Å; Y67-M71 HydrophobicContact CE2-SD 3.46Å; Y67-M71 WeakPolarHBondContact CE2-SD 3.34Å; Y67-M71 WeakPolarHBondContact O-CG 3.44Å; Y67-M71 PolarHBondContact O-N 3.5Å; Y67-M71 PolarHBondContact OH-SD 3.44Å; M71-K73 VanDerWaalsContact C-N 3.33Å; M71-K73 PolarHBondContact O-N 2.88Å; M71-A74 WeakPolarHBondContact O-CB 3.17Å; M71-A74 PolarHBondContact O-N 3.36Å; M71-R75 WeakPolarHBondContact O-CG 3.49Å; M71-R75 PolarHBondContact O-N 3.06Å; M71-L101 HydrophobicContact CB-CD2 4.07Å; M71-L101 HydrophobicContact CG-CD2 3.49Å; M71-L101 VanDerWaalsContact CG-CD2 3.49Å; M71-D124 HydrophobicContact CE-CB 3.66Å; M71-D124 WeakPolarHBondContact CE-OD1 3.48Å; M71-D124 WeakPolarHBondContact CE-OD2 3.34Å
72	R	92.6	Very high	91.3	Very high	152 Å²	152	78.2 Å²	78.2	57%	0.574	37%	0.37	S	S	*	.	H	α-helix	trans	-59.1	-45.7	-179.6	-172.2	-179.6	69.7	-158.8	1.1	111.6	K68 Q70 A74 R75 E76	K68-R72 PolarHBondContact O-N 3.18Å; K68-R72 VanDerWaalsContact O-N 3.13Å; Q70-R72 VanDerWaalsContact C-N 3.33Å; Q70-R72 PolarHBondContact O-N 3.46Å; R72-A74 VanDerWaalsContact C-N 3.35Å; R72-R75 PolarHBondContact O-N 3.21Å; R72-E76 IonicContact NE-OE1 3.44Å; R72-E76 WeakPolarHBondContact O-CG 3.29Å; R72-E76 PolarHBondContact O-N 2.72Å; R72-E76 VanDerWaalsContact O-N 3.09Å
73	K	92.4	Very high	91.6	Very high	76 Å²	76	73.7 Å²	73.7	33%	0.33	35%	0.346	S	S	.	.	H	α-helix	trans	-64.9	-40.2	177.4	-72.3	-179.5	-174.8	175	0	112.2	R69 Q70 M71 E76 Q77	R69-K73 WeakPolarHBondContact O-CG 3.25Å; R69-K73 PolarHBondContact O-N 2.82Å; Q70-K73 PolarHBondContact O-N 3.38Å; Q70-K73 VanDerWaalsContact O-N 3.15Å; M71-K73 VanDerWaalsContact C-N 3.33Å; M71-K73 PolarHBondContact O-N 2.88Å; K73-E76 PolarHBondContact O-N 3.45Å; K73-Q77 WeakPolarHBondContact O-CB 3.4Å; K73-Q77 PolarHBondContact O-N 3.37Å
74	A	91.4	Very high	91.8	Very high	8 Å²	8	81.6 Å²	81.6	7%	0.066	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-45.9	178.1	0	0	0	0	0	110.8	Q70 M71 R72 E76 Q77 F78 L101	Q70-A74 WeakPolarHBondContact O-CB 3.32Å; Q70-A74 PolarHBondContact O-N 2.87Å; M71-A74 WeakPolarHBondContact O-CB 3.17Å; M71-A74 PolarHBondContact O-N 3.36Å; R72-A74 VanDerWaalsContact C-N 3.35Å; A74-E76 VanDerWaalsContact C-N 3.31Å; A74-E76 PolarHBondContact O-N 3.11Å; A74-Q77 PolarHBondContact O-N 3.17Å; A74-Q77 VanDerWaalsContact O-N 3.13Å; A74-F78 WeakPolarHBondContact O-CA 3.38Å; A74-F78 WeakPolarHBondContact O-CB 3.4Å; A74-F78 PolarHBondContact O-N 2.96Å; A74-L101 VanDerWaalsContact CB-CA 3.47Å; A74-L101 WeakPolarHBondContact CB-O 3.4Å
75	R	90.3	Very high	91.5	Very high	106 Å²	106	79.8 Å²	79.8	40%	0.4	38%	0.379	S	S	.	.	H	α-helix	trans	-62.5	-36.3	175	-68.5	-179.9	-173.5	172.2	2.9	113.3	M71 R72 P79 D124	M71-R75 WeakPolarHBondContact O-CG 3.49Å; M71-R75 PolarHBondContact O-N 3.06Å; R72-R75 PolarHBondContact O-N 3.21Å; R75-P79 WeakPolarHBondContact O-CA 3.05Å; R75-D124 IonicContact CZ-OD1 3.33Å; R75-D124 IonicContact CZ-OD2 3.26Å; R75-D124 IonicContact NE-OD2 2.79Å; R75-D124 PolarHBondContact NE-OD2 2.88Å; R75-D124 IonicContact NH2-OD1 3.03Å; R75-D124 PolarHBondContact NH2-OD1 3.38Å; R75-D124 IonicContact NH2-OD2 3.86Å; R75-D124 PolarHBondContact NH2-OD2 3.22Å
76	E	92.3	Very high	91.4	Very high	137 Å²	137	78.6 Å²	78.6	64%	0.64	37%	0.372	S	S	*	.	H	α-helix	trans	-66.1	-38.8	173.6	-72.4	166.6	-164.7	0	0	111.8	R72 K73 A74	R72-E76 IonicContact NE-OE1 3.44Å; R72-E76 WeakPolarHBondContact O-CG 3.29Å; R72-E76 PolarHBondContact O-N 2.72Å; R72-E76 VanDerWaalsContact O-N 3.09Å; K73-E76 PolarHBondContact O-N 3.45Å; A74-E76 VanDerWaalsContact C-N 3.31Å; A74-E76 PolarHBondContact O-N 3.11Å
77	Q	92.6	Very high	91.6	Very high	135 Å²	135	76.5 Å²	76.5	63%	0.631	37%	0.372	S	S	*	.	H	α-helix	trans	-85.5	-33.7	-175.6	-174.5	174	-16.2	0	0	113.3	K73 A74	K73-Q77 WeakPolarHBondContact O-CB 3.4Å; K73-Q77 PolarHBondContact O-N 3.37Å; A74-Q77 PolarHBondContact O-N 3.17Å; A74-Q77 VanDerWaalsContact O-N 3.13Å
78	F	90.9	Very high	91.9	Very high	60 Å²	60	79 Å²	79	26%	0.263	39%	0.385	S	S	.	.			trans	-133.6	67.8	-172.3	-55.3	-66.2	0	0	0	110	A74 T80 G81 H82	A74-F78 WeakPolarHBondContact O-CA 3.38Å; A74-F78 WeakPolarHBondContact O-CB 3.4Å; A74-F78 PolarHBondContact O-N 2.96Å; F78-T80 PolarHBondContact O-N 3.38Å; F78-T80 VanDerWaalsContact O-N 3.15Å; F78-G81 PolarHBondContact O-N 3.43Å; F78-H82 HydrophobicContact CD1-CB 4.12Å; F78-H82 HydrophobicContact CD2-CB 4.33Å; F78-H82 HydrophobicContact CE1-CB 4.3Å; F78-H82 HydrophobicContact CG-CB 4.13Å; F78-H82 HydrophobicContact CZ-CB 4.48Å
79	P	88.3	Confident	92.1	Very high	107 Å²	107	80 Å²	80	70%	0.695	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.4	-174.3	24.9	-35.2	0	0	0	113.8	R75	R75-P79 WeakPolarHBondContact O-CA 3.05Å
80	T	89.2	Confident	92.2	Very high	130 Å²	130	76.3 Å²	76.3	80%	0.798	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	24.4	175.4	64.1	0	0	0	0	112.1	F78	F78-T80 PolarHBondContact O-N 3.38Å; F78-T80 VanDerWaalsContact O-N 3.15Å
81	G	93.2	Very high	92.4	Very high	21 Å²	21	78.1 Å²	78.1	22%	0.216	39%	0.39	C	S	.	.			trans	83	159	-172.4	0	0	0	0	0	113.7	F78 S83 S99	F78-G81 PolarHBondContact O-N 3.43Å; G81-S83 PolarHBondContact O-N 3.19Å; G81-S99 WeakPolarHBondContact CA-OG 3.39Å
82	H	94.6	Very high	92.6	Very high	11 Å²	11	78.4 Å²	78.4	5%	0.051	40%	0.396	C	S	.	.	S	Bend	trans	-73.6	-15.4	173.9	61.8	76.9	0	0	0	112.1	F78 S99 V100 S102 D103 N104 Y105	F78-H82 HydrophobicContact CD1-CB 4.12Å; F78-H82 HydrophobicContact CD2-CB 4.33Å; F78-H82 HydrophobicContact CE1-CB 4.3Å; F78-H82 HydrophobicContact CG-CB 4.13Å; F78-H82 HydrophobicContact CZ-CB 4.48Å; H82-S99 PolarHBondContact CD2-OG 3.35Å; H82-S99 PolarHBondContact CE1-OG 2.75Å; H82-S99 VanDerWaalsContact CE1-OG 3.26Å; H82-S99 PolarHBondContact N-OG 2.8Å; H82-S99 PolarHBondContact ND1-OG 3.01Å; H82-S99 PolarHBondContact NE2-OG 3.42Å; H82-V100 PolarHBondContact CD2-O 3.34Å; H82-V100 PolarHBondContact NE2-O 2.96Å; H82-S102 WeakPolarHBondContact CB-O 3.46Å; H82-S102 PolarHBondContact CD2-O 2.98Å; H82-S102 VanDerWaalsContact CG-O 3.22Å; H82-D103 VanDerWaalsContact CD2-CA 3.45Å; H82-D103 WeakPolarHBondContact CD2-CA 3.47Å; H82-D103 PolarHBondContact CD2-N 3.06Å; H82-D103 VanDerWaalsContact CD2-N 3.28Å; H82-D103 VanDerWaalsContact NE2-C 3.26Å; H82-D103 WeakPolarHBondContact NE2-CA 3.38Å; H82-N104 PolarHBondContact NE2-N 3.33Å; H82-N104 PolarHBondContact NE2-O 2.78Å; H82-Y105 AromaticContact CE1-CE1 3.57Å; H82-Y105 AromaticContact CE1-CZ 3.67Å
83	S	95.1	Very high	92.8	Very high	6 Å²	6	71.1 Å²	71.1	4%	0.042	37%	0.369	C	S	.	.	S	Bend	trans	-148.5	146.8	-179.2	-58.4	0	0	0	0	111.3	G81 S99 Y105 R296 K299	G81-S83 PolarHBondContact O-N 3.19Å; S83-S99 PolarHBondContact N-OG 2.96Å; S83-S99 WeakPolarHBondContact O-CB 3.46Å; S83-Y105 WeakPolarHBondContact CB-OH 3.47Å; S83-Y105 PolarHBondContact OG-OH 3.24Å; S83-R296 PolarHBondContact OG-NH1 3.47Å; S83-R296 PolarHBondContact OG-NH2 3.15Å; S83-K299 CarbonylContact C-O 3.57Å; S83-K299 WeakPolarHBondContact CA-O 3.44Å
84	R	93.3	Very high	93.1	Very high	169 Å²	169	68.7 Å²	68.7	64%	0.638	36%	0.358	S	S	*	.	B	Isolated β-bridge	trans	-78.8	126.8	173	-67.5	178.4	174	-179.7	-2.3	108.6	K299 L300 C301	R84-K299 PolarHBondContact N-O 2.96Å; R84-L300 HydrophobicContact CB-CD2 4.22Å; R84-C301 PolarHBondContact O-N 2.94Å
85	A	82.5	Confident	93.5	Very high	51 Å²	51	68.3 Å²	68.3	42%	0.421	36%	0.355	S	S	.	.			trans	-65.5	139.5	176.1	0	0	0	0	0	110.6	P97	A85-P97 WeakPolarHBondContact CB-O 3.41Å
86	Q	88.9	Confident	93.8	Very high	90 Å²	90	64.2 Å²	64.2	42%	0.421	34%	0.341	S	S	.	.			trans	-120.8	104.7	165.8	-72.1	-176.5	-52.8	0	0	107.1	L300	Q86-L300 HydrophobicContact CG-CD2 4.29Å
87	P	94.8	Very high	94.1	Very high	70 Å²	70	57.8 Å²	57.8	46%	0.455	31%	0.311	S	S	.	.			trans	-63.1	142.2	175.8	24.8	-31.5	0	0	0	110	K94 I95 M96	P87-K94 HydrophobicContact CB-CG 4.26Å; P87-I95 WeakPolarHBondContact CA-O 3.5Å; P87-M96 HydrophobicContact CB-CG 3.86Å
88	M	96.8	Very high	94.3	Very high	57 Å²	57	51.7 Å²	51.7	28%	0.281	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.6	169	-178.6	175.3	-77.3	0	0	109.1	L90 K94 I95 L260 W262 P304	M88-L90 HydrophobicContact CG-CD2 4.04Å; M88-L90 HydrophobicContact CG-CG 4.14Å; M88-L90 HydrophobicContact SD-CD1 4.41Å; M88-L90 HydrophobicContact SD-CD2 4.02Å; M88-L90 HydrophobicContact SD-CG 4.37Å; M88-K94 CarbonylContact O-C 3.6Å; M88-K94 WeakPolarHBondContact O-CA 3.17Å; M88-I95 PolarHBondContact N-O 3.23Å; M88-I95 PolarHBondContact O-N 3.12Å; M88-L260 HydrophobicContact SD-CD1 3.46Å; M88-L260 WeakPolarHBondContact SD-CD1 3.47Å; M88-W262 HydrophobicContact CB-CH2 3.97Å; M88-W262 HydrophobicContact CB-CZ2 4.28Å; M88-W262 HydrophobicContact SD-CH2 4.29Å; M88-W262 HydrophobicContact SD-CZ2 3.94Å; M88-P304 HydrophobicContact CE-CG 3.55Å; M88-P304 HydrophobicContact SD-CG 4.17Å
89	E	96.8	Very high	94.6	Very high	120 Å²	120	49.5 Å²	49.5	56%	0.561	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.6	176.9	-68.3	-178	-163	0	0	110.4	I93 K94	E89-I93 CarbonylContact C-O 3.2Å; E89-I93 WeakPolarHBondContact CA-O 3.21Å; E89-K94 HydrophobicContact CG-CB 4.11Å; E89-K94 HydrophobicContact CG-CG 4.02Å
90	L	96.1	Very high	95	Very high	22 Å²	22	44.6 Å²	44.6	12%	0.115	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	95.6	-177	-59.1	175.7	0	0	0	108	M88 G92 I93 I95 I217 A219 L260	M88-L90 HydrophobicContact CG-CD2 4.04Å; M88-L90 HydrophobicContact CG-CG 4.14Å; M88-L90 HydrophobicContact SD-CD1 4.41Å; M88-L90 HydrophobicContact SD-CD2 4.02Å; M88-L90 HydrophobicContact SD-CG 4.37Å; L90-G92 VanDerWaalsContact C-N 3.29Å; L90-G92 PolarHBondContact O-N 2.88Å; L90-G92 VanDerWaalsContact O-N 3.11Å; L90-I93 PolarHBondContact N-O 3.25Å; L90-I93 PolarHBondContact O-N 3.42Å; L90-I95 HydrophobicContact CD1-CD1 4.04Å; L90-I217 HydrophobicContact CB-CD1 4.38Å; L90-A219 HydrophobicContact CB-CB 3.95Å; L90-L260 HydrophobicContact CD1-CD1 3.89Å; L90-L260 HydrophobicContact CD2-CD1 4.49Å
91	N	95.6	Very high	95.2	Very high	100 Å²	100	39.1 Å²	39.1	54%	0.535	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	45.8	174.8	-66.8	-9.9	0	0	0	115.2	I217 G218	N91-I217 WeakPolarHBondContact CB-O 3.42Å; N91-I217 PolarHBondContact ND2-O 3.28Å; N91-G218 VanDerWaalsContact ND2-C 3.29Å; N91-G218 PolarHBondContact ND2-O 3.42Å
92	G	96.3	Very high	95.3	Very high	18 Å²	18	40.5 Å²	40.5	19%	0.186	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	-0.5	179.2	0	0	0	0	0	115	L90 M112 R192	L90-G92 VanDerWaalsContact C-N 3.29Å; L90-G92 PolarHBondContact O-N 2.88Å; L90-G92 VanDerWaalsContact O-N 3.11Å; G92-M112 WeakPolarHBondContact O-CB 3.5Å; G92-M112 WeakPolarHBondContact O-CG 3.36Å; G92-M112 PolarHBondContact O-N 2.92Å; G92-R192 PolarHBondContact O-NH2 3.21Å; G92-R192 VanDerWaalsContact O-NH2 3.07Å
93	I	98.3	Very high	95.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.3	166.9	-56.8	-53.5	0	0	0	109.3	E89 L90 I95 V109 I110 D111 R192 M193 L212 I217	E89-I93 CarbonylContact C-O 3.2Å; E89-I93 WeakPolarHBondContact CA-O 3.21Å; L90-I93 PolarHBondContact N-O 3.25Å; L90-I93 PolarHBondContact O-N 3.42Å; I93-I95 HydrophobicContact CG2-CG1 4.48Å; I93-V109 HydrophobicContact CG2-CG1 3.65Å; I93-I110 CarbonylContact C-O 3.51Å; I93-I110 VanDerWaalsContact CA-O 3.29Å; I93-I110 WeakPolarHBondContact CA-O 3.48Å; I93-D111 HydrophobicContact CD1-CB 3.94Å; I93-R192 HydrophobicContact CD1-CB 4.37Å; I93-M193 HydrophobicContact CD1-CG 3.75Å; I93-M193 HydrophobicContact CG2-CG 4.49Å; I93-L212 HydrophobicContact CG2-CD2 4.17Å; I93-I217 HydrophobicContact CB-CD1 4.08Å; I93-I217 HydrophobicContact CG1-CD1 3.6Å; I93-I217 HydrophobicContact CG1-CG2 4.15Å
94	K	98.4	Very high	95.5	Very high	25 Å²	25	41.8 Å²	41.8	11%	0.109	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.6	176.2	-178.9	-179.6	176.2	-166.8	0	109.7	P87 M88 E89 M96 V109 I110 M112 E135	P87-K94 HydrophobicContact CB-CG 4.26Å; M88-K94 CarbonylContact O-C 3.6Å; M88-K94 WeakPolarHBondContact O-CA 3.17Å; E89-K94 HydrophobicContact CG-CB 4.11Å; E89-K94 HydrophobicContact CG-CG 4.02Å; K94-M96 HydrophobicContact CD-CG 4.39Å; K94-M96 HydrophobicContact CD-SD 4.15Å; K94-M96 WeakPolarHBondContact CE-SD 3.46Å; K94-M96 HydrophobicContact CG-CG 4.13Å; K94-M96 HydrophobicContact CG-SD 4.49Å; K94-V109 CarbonylContact O-C 3.52Å; K94-V109 WeakPolarHBondContact O-CA 3.45Å; K94-I110 HydrophobicContact CB-CB 4.29Å; K94-I110 HydrophobicContact CD-CD1 4.41Å; K94-I110 PolarHBondContact N-O 2.93Å; K94-I110 PolarHBondContact O-N 3.07Å; K94-M112 HydrophobicContact CB-CG 4.13Å; K94-M112 HydrophobicContact CB-SD 4.05Å; K94-E135 IonicContact NZ-OE1 2.67Å; K94-E135 PolarHBondContact NZ-OE1 2.69Å; K94-E135 IonicContact NZ-OE2 2.95Å; K94-E135 PolarHBondContact NZ-OE2 3.39Å
95	I	98.6	Very high	95.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.9	175.7	-56.6	173.1	0	0	0	108.7	P87 M88 L90 I93 L108 V109 L212 S222 F224 W262	P87-I95 WeakPolarHBondContact CA-O 3.5Å; M88-I95 PolarHBondContact N-O 3.23Å; M88-I95 PolarHBondContact O-N 3.12Å; L90-I95 HydrophobicContact CD1-CD1 4.04Å; I93-I95 HydrophobicContact CG2-CG1 4.48Å; I95-L108 CarbonylContact C-O 3.54Å; I95-L108 WeakPolarHBondContact CA-O 3.27Å; I95-V109 HydrophobicContact CG1-CG1 4.15Å; I95-V109 HydrophobicContact CG1-CG2 4.46Å; I95-L212 HydrophobicContact CD1-CD2 4.42Å; I95-S222 WeakPolarHBondContact CD1-OG 3.15Å; I95-F224 HydrophobicContact CD1-CZ 4.21Å; I95-F224 HydrophobicContact CG2-CE1 4.08Å; I95-F224 HydrophobicContact CG2-CZ 4.18Å; I95-W262 HydrophobicContact CB-CH2 4.25Å; I95-W262 HydrophobicContact CB-CZ2 4.02Å; I95-W262 HydrophobicContact CD1-CZ2 3.95Å; I95-W262 HydrophobicContact CG2-CD2 4.12Å; I95-W262 HydrophobicContact CG2-CE3 4.28Å; I95-W262 HydrophobicContact CG2-CH2 3.88Å; I95-W262 HydrophobicContact CG2-CZ2 3.73Å; I95-W262 HydrophobicContact CG2-CZ3 4.18Å
96	M	97.8	Very high	96.5	Very high	20 Å²	20	31.5 Å²	31.5	10%	0.099	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	114.2	-177.3	-71.2	178.8	69.6	0	0	111.2	P87 K94 I98 Y107 L108 I110 V131 E135	P87-M96 HydrophobicContact CB-CG 3.86Å; K94-M96 HydrophobicContact CD-CG 4.39Å; K94-M96 HydrophobicContact CD-SD 4.15Å; K94-M96 WeakPolarHBondContact CE-SD 3.46Å; K94-M96 HydrophobicContact CG-CG 4.13Å; K94-M96 HydrophobicContact CG-SD 4.49Å; M96-I98 PolarHBondContact O-N 3.08Å; M96-Y107 WeakPolarHBondContact O-CA 3.46Å; M96-L108 HydrophobicContact CB-CB 4.27Å; M96-L108 PolarHBondContact N-O 3.29Å; M96-L108 PolarHBondContact O-N 3.42Å; M96-I110 HydrophobicContact SD-CD1 4.2Å; M96-V131 HydrophobicContact CE-CG1 4.05Å; M96-E135 HydrophobicContact CE-CG 4.3Å; M96-E135 VanDerWaalsContact CE-OE1 3.31Å; M96-E135 WeakPolarHBondContact CE-OE1 3.11Å; M96-E135 VanDerWaalsContact SD-CD 3.57Å; M96-E135 HydrophobicContact SD-CG 3.92Å
97	P	97.7	Very high	97	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	125.4	165	-17.9	31.4	0	0	0	110	A85 Y105 Y107 W262	A85-P97 WeakPolarHBondContact CB-O 3.41Å; P97-Y105 HydrophobicContact CB-CD1 3.94Å; P97-Y105 HydrophobicContact CB-CE1 4.27Å; P97-Y107 HydrophobicContact CB-CD1 4.18Å; P97-Y107 HydrophobicContact CB-CE1 3.88Å; P97-Y107 HydrophobicContact CG-CD1 4.28Å; P97-Y107 HydrophobicContact CG-CE1 4Å; P97-W262 HydrophobicContact CG-CE3 4.33Å; P97-W262 HydrophobicContact CG-CZ3 3.77Å
98	I	97.7	Very high	97.2	Very high	8 Å²	8	24 Å²	24	4%	0.041	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.2	172.5	-56.9	176.3	0	0	0	107.1	M96 V100 S106 L108 T127 V128 V131	M96-I98 PolarHBondContact O-N 3.08Å; I98-V100 HydrophobicContact CG2-CG1 3.93Å; I98-V100 PolarHBondContact O-N 3.04Å; I98-S106 PolarHBondContact N-O 2.8Å; I98-S106 PolarHBondContact O-N 2.86Å; I98-L108 HydrophobicContact CD1-CB 3.8Å; I98-L108 HydrophobicContact CG1-CB 4.39Å; I98-T127 HydrophobicContact CG2-CG2 3.64Å; I98-V128 HydrophobicContact CD1-CG2 4.21Å; I98-V131 HydrophobicContact CD1-CB 3.94Å; I98-V131 HydrophobicContact CD1-CG1 3.95Å; I98-V131 HydrophobicContact CD1-CG2 4.07Å; I98-V131 HydrophobicContact CG1-CG1 4.3Å; I98-V131 HydrophobicContact CG1-CG2 4.26Å; I98-V131 HydrophobicContact CG2-CG2 4.24Å
99	S	96.8	Very high	97.3	Very high	14 Å²	14	21.3 Å²	21.3	10%	0.098	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	118.6	176.9	179.1	0	0	0	0	110.4	G81 H82 S83	G81-S99 WeakPolarHBondContact CA-OG 3.39Å; H82-S99 PolarHBondContact CD2-OG 3.35Å; H82-S99 PolarHBondContact CE1-OG 2.75Å; H82-S99 VanDerWaalsContact CE1-OG 3.26Å; H82-S99 PolarHBondContact N-OG 2.8Å; H82-S99 PolarHBondContact ND1-OG 3.01Å; H82-S99 PolarHBondContact NE2-OG 3.42Å; S83-S99 PolarHBondContact N-OG 2.96Å; S83-S99 WeakPolarHBondContact O-CB 3.46Å
100	V	95.8	Very high	97.4	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.024	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155.4	-178.8	-64.4	0	0	0	0	110.2	H82 I98 N104 A123 D124 T127	H82-V100 PolarHBondContact CD2-O 3.34Å; H82-V100 PolarHBondContact NE2-O 2.96Å; I98-V100 HydrophobicContact CG2-CG1 3.93Å; I98-V100 PolarHBondContact O-N 3.04Å; V100-N104 HydrophobicContact CG2-CB 3.69Å; V100-N104 WeakPolarHBondContact CG2-O 3.36Å; V100-N104 PolarHBondContact N-O 2.74Å; V100-N104 WeakPolarHBondContact O-CB 3.37Å; V100-N104 PolarHBondContact O-N 3.21Å; V100-N104 VanDerWaalsContact O-N 3.09Å; V100-A123 HydrophobicContact CB-CB 4.36Å; V100-A123 HydrophobicContact CG2-CB 3.66Å; V100-D124 HydrophobicContact CB-CB 4.1Å; V100-D124 HydrophobicContact CG1-CB 3.82Å; V100-T127 HydrophobicContact CG1-CG2 4.18Å
101	L	95	Very high	97.5	Very high	14 Å²	14	15 Å²	15	7%	0.073	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	-142.9	-176.9	-58.2	175.1	0	0	0	111.9	M71 A74 N104 A123 D150	M71-L101 HydrophobicContact CB-CD2 4.07Å; M71-L101 HydrophobicContact CG-CD2 3.49Å; M71-L101 VanDerWaalsContact CG-CD2 3.49Å; A74-L101 VanDerWaalsContact CB-CA 3.47Å; A74-L101 WeakPolarHBondContact CB-O 3.4Å; L101-N104 HydrophobicContact CB-CB 4.34Å; L101-N104 HydrophobicContact CD1-CB 4.4Å; L101-N104 WeakPolarHBondContact CD1-OD1 3.4Å; L101-A123 HydrophobicContact CD1-CB 4.22Å; L101-D150 HydrophobicContact CD1-CB 3.32Å
102	S	94.9	Very high	97.6	Very high	51 Å²	51	14 Å²	14	36%	0.357	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-28.1	-178.7	46.5	0	0	0	0	113.9	H82	H82-S102 WeakPolarHBondContact CB-O 3.46Å; H82-S102 PolarHBondContact CD2-O 2.98Å; H82-S102 VanDerWaalsContact CG-O 3.22Å
103	D	96.4	Very high	97.6	Very high	38 Å²	38	16.9 Å²	16.9	20%	0.203	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-160	4.4	-169.4	46.7	69.6	0	0	0	113.2	H82 H265 E266 Y267	H82-D103 VanDerWaalsContact CD2-CA 3.45Å; H82-D103 WeakPolarHBondContact CD2-CA 3.47Å; H82-D103 PolarHBondContact CD2-N 3.06Å; H82-D103 VanDerWaalsContact CD2-N 3.28Å; H82-D103 VanDerWaalsContact NE2-C 3.26Å; H82-D103 WeakPolarHBondContact NE2-CA 3.38Å; D103-H265 CarbonylContact O-C 3.59Å; D103-H265 VanDerWaalsContact O-CA 3.28Å; D103-H265 WeakPolarHBondContact O-CA 3.44Å; D103-H265 IonicContact OD1-CE1 3.89Å; D103-H265 IonicContact OD1-CG 3.71Å; D103-H265 IonicContact OD1-ND1 2.83Å; D103-H265 PolarHBondContact OD1-ND1 3.22Å; D103-E266 HydrophobicContact CB-CB 4.47Å; D103-E266 PolarHBondContact O-N 3.46Å; D103-Y267 HydrophobicContact CB-CE1 4.21Å; D103-Y267 PolarHBondContact OD1-OH 2.91Å
104	N	98.1	Very high	97.5	Very high	5 Å²	5	19.6 Å²	19.6	3%	0.027	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	145.6	-177.6	-70.3	83	0	0	0	111.2	H82 V100 L101 D150 G264 H265	H82-N104 PolarHBondContact NE2-N 3.33Å; H82-N104 PolarHBondContact NE2-O 2.78Å; V100-N104 HydrophobicContact CG2-CB 3.69Å; V100-N104 WeakPolarHBondContact CG2-O 3.36Å; V100-N104 PolarHBondContact N-O 2.74Å; V100-N104 WeakPolarHBondContact O-CB 3.37Å; V100-N104 PolarHBondContact O-N 3.21Å; V100-N104 VanDerWaalsContact O-N 3.09Å; L101-N104 HydrophobicContact CB-CB 4.34Å; L101-N104 HydrophobicContact CD1-CB 4.4Å; L101-N104 WeakPolarHBondContact CD1-OD1 3.4Å; N104-D150 PolarHBondContact ND2-O 3.33Å; N104-D150 PolarHBondContact ND2-OD2 2.98Å; N104-G264 CarbonylContact C-O 3.58Å; N104-G264 WeakPolarHBondContact CA-O 3.17Å; N104-H265 PolarHBondContact ND2-CE1 3.27Å; N104-H265 PolarHBondContact ND2-NE2 2.64Å
105	Y	98.2	Very high	97.5	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.4	165.8	-68.8	-60.5	0	0	0	110.9	H82 S83 P97 G264 E266 C301	H82-Y105 AromaticContact CE1-CE1 3.57Å; H82-Y105 AromaticContact CE1-CZ 3.67Å; S83-Y105 WeakPolarHBondContact CB-OH 3.47Å; S83-Y105 PolarHBondContact OG-OH 3.24Å; P97-Y105 HydrophobicContact CB-CD1 3.94Å; P97-Y105 HydrophobicContact CB-CE1 4.27Å; Y105-G264 PolarHBondContact N-O 2.87Å; Y105-E266 HydrophobicContact CE2-CB 3.69Å; Y105-E266 HydrophobicContact CE2-CG 4.28Å; Y105-E266 WeakPolarHBondContact CE2-OE2 3.07Å; Y105-E266 PolarHBondContact OH-OE2 3.38Å; Y105-C301 HydrophobicContact CE1-CB 4.47Å; Y105-C301 WeakPolarHBondContact OH-CA 3.25Å; Y105-C301 PolarHBondContact OH-SG 3.28Å; Y105-C301 VanDerWaalsContact OH-SG 3.41Å
106	S	98.6	Very high	97.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	156.7	152	-55.4	0	0	0	0	108.5	I98 V120 D121 P122 A123	I98-S106 PolarHBondContact N-O 2.8Å; I98-S106 PolarHBondContact O-N 2.86Å; S106-V120 WeakPolarHBondContact CA-O 3.26Å; S106-V120 WeakPolarHBondContact CB-O 3.05Å; S106-D121 WeakPolarHBondContact CB-O 3.36Å; S106-D121 PolarHBondContact OG-O 3.48Å; S106-P122 WeakPolarHBondContact OG-CA 3.38Å; S106-A123 PolarHBondContact OG-N 2.91Å
107	Y	98.8	Very high	97.5	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.016	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120.9	177.3	-62.9	-76.5	0	0	0	111.3	M96 P97 V119 V120 F224 W262 P263	M96-Y107 WeakPolarHBondContact O-CA 3.46Å; P97-Y107 HydrophobicContact CB-CD1 4.18Å; P97-Y107 HydrophobicContact CB-CE1 3.88Å; P97-Y107 HydrophobicContact CG-CD1 4.28Å; P97-Y107 HydrophobicContact CG-CE1 4Å; Y107-V119 CarbonylContact O-C 3.57Å; Y107-V119 VanDerWaalsContact O-CA 3.27Å; Y107-V119 WeakPolarHBondContact O-CA 3.28Å; Y107-V120 HydrophobicContact CD2-CB 4.49Å; Y107-V120 PolarHBondContact N-O 3.33Å; Y107-V120 PolarHBondContact O-N 3.4Å; Y107-F224 HydrophobicContact CD1-CE1 4.32Å; Y107-F224 AromaticContact CD2-CD1 3.66Å; Y107-F224 HydrophobicContact CD2-CD1 3.66Å; Y107-F224 HydrophobicContact CD2-CE1 4.18Å; Y107-F224 HydrophobicContact CE2-CD1 4.36Å; Y107-F224 AromaticContact CG-CD1 3.75Å; Y107-F224 HydrophobicContact CG-CD1 3.75Å; Y107-F224 AromaticContact CG-CE1 3.77Å; Y107-F224 HydrophobicContact CG-CE1 3.77Å; Y107-W262 HydrophobicContact CD1-CB 4.36Å; Y107-W262 HydrophobicContact CD1-CD2 4.49Å; Y107-W262 AromaticContact CD1-CE3 3.99Å; Y107-W262 HydrophobicContact CD1-CE3 3.99Å; Y107-W262 HydrophobicContact CD2-CB 4.31Å; Y107-W262 HydrophobicContact CE1-CB 3.97Å; Y107-W262 HydrophobicContact CE1-CD2 4.24Å; Y107-W262 AromaticContact CE1-CE3 3.53Å; Y107-W262 HydrophobicContact CE1-CE3 3.53Å; Y107-W262 HydrophobicContact CE1-CG 4.47Å; Y107-W262 HydrophobicContact CE1-CZ3 4.35Å; Y107-W262 HydrophobicContact CE2-CB 3.87Å; Y107-W262 VanDerWaalsContact OH-C 3.28Å; Y107-P263 WeakPolarHBondContact CE2-O 3.41Å; Y107-P263 WeakPolarHBondContact OH-CD 3.41Å; Y107-P263 VanDerWaalsContact OH-N 3.16Å; Y107-P263 PolarHBondContact OH-O 3.5Å
108	L	98.8	Very high	97.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.4	170.6	-176.8	67.5	0	0	0	109.1	I95 M96 I98 I110 A117 V119 V131 L132 E135	I95-L108 CarbonylContact C-O 3.54Å; I95-L108 WeakPolarHBondContact CA-O 3.27Å; M96-L108 HydrophobicContact CB-CB 4.27Å; M96-L108 PolarHBondContact N-O 3.29Å; M96-L108 PolarHBondContact O-N 3.42Å; I98-L108 HydrophobicContact CD1-CB 3.8Å; I98-L108 HydrophobicContact CG1-CB 4.39Å; L108-I110 HydrophobicContact CD2-CD1 3.83Å; L108-I110 HydrophobicContact CD2-CG1 4.12Å; L108-I110 HydrophobicContact CG-CD1 4.11Å; L108-I110 HydrophobicContact CG-CG1 3.86Å; L108-A117 HydrophobicContact CD1-CB 3.66Å; L108-V119 HydrophobicContact CD1-CB 4.39Å; L108-V131 HydrophobicContact CD2-CG1 3.71Å; L108-L132 HydrophobicContact CD1-CD2 3.54Å; L108-L132 HydrophobicContact CD1-CG 4.4Å; L108-L132 HydrophobicContact CD2-CD2 4.31Å; L108-E135 HydrophobicContact CD2-CG 4.4Å
109	V	98.8	Very high	97.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.7	177.7	-169.1	0	0	0	0	107.8	I93 K94 I95 A117 V118 M193 F195 L212 F224	I93-V109 HydrophobicContact CG2-CG1 3.65Å; K94-V109 CarbonylContact O-C 3.52Å; K94-V109 WeakPolarHBondContact O-CA 3.45Å; I95-V109 HydrophobicContact CG1-CG1 4.15Å; I95-V109 HydrophobicContact CG1-CG2 4.46Å; V109-A117 CarbonylContact O-C 3.1Å; V109-A117 VanDerWaalsContact O-CA 3.24Å; V109-A117 WeakPolarHBondContact O-CA 3.38Å; V109-V118 HydrophobicContact CB-CB 4.48Å; V109-V118 PolarHBondContact N-O 3.38Å; V109-V118 PolarHBondContact O-N 2.89Å; V109-M193 HydrophobicContact CB-SD 3.99Å; V109-M193 HydrophobicContact CG1-CG 4.35Å; V109-M193 HydrophobicContact CG1-SD 3.47Å; V109-M193 WeakPolarHBondContact CG1-SD 3.47Å; V109-F195 HydrophobicContact CB-CZ 4.35Å; V109-F195 HydrophobicContact CG1-CZ 4.19Å; V109-F195 HydrophobicContact CG2-CZ 4.38Å; V109-L212 HydrophobicContact CG1-CD2 4.13Å; V109-F224 HydrophobicContact CG2-CE1 4.04Å; V109-F224 HydrophobicContact CG2-CE2 4.12Å; V109-F224 HydrophobicContact CG2-CZ 3.46Å; V109-F224 VanDerWaalsContact CG2-CZ 3.46Å
110	I	98.7	Very high	97.7	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.026	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.1	-171	-56.4	171.6	0	0	0	108.7	I93 K94 M96 L108 M112 A117 E135 V137	I93-I110 CarbonylContact C-O 3.51Å; I93-I110 VanDerWaalsContact CA-O 3.29Å; I93-I110 WeakPolarHBondContact CA-O 3.48Å; K94-I110 HydrophobicContact CB-CB 4.29Å; K94-I110 HydrophobicContact CD-CD1 4.41Å; K94-I110 PolarHBondContact N-O 2.93Å; K94-I110 PolarHBondContact O-N 3.07Å; M96-I110 HydrophobicContact SD-CD1 4.2Å; L108-I110 HydrophobicContact CD2-CD1 3.83Å; L108-I110 HydrophobicContact CD2-CG1 4.12Å; L108-I110 HydrophobicContact CG-CD1 4.11Å; L108-I110 HydrophobicContact CG-CG1 3.86Å; I110-M112 HydrophobicContact CG2-CG 4.46Å; I110-M112 PolarHBondContact O-N 3.01Å; I110-A117 HydrophobicContact CG1-CB 4.23Å; I110-E135 HydrophobicContact CD1-CB 4.09Å; I110-E135 HydrophobicContact CD1-CG 4.03Å; I110-V137 HydrophobicContact CD1-CG1 4.23Å; I110-V137 HydrophobicContact CD1-CG2 4.37Å; I110-V137 HydrophobicContact CG1-CG1 4.45Å; I110-V137 HydrophobicContact CG1-CG2 4.48Å; I110-V137 HydrophobicContact CG2-CG1 3.67Å
111	D	98.3	Very high	97.9	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.016	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	106.4	159.2	-177.8	-3	0	0	0	108.8	I93 A113 S114 S115 V116 R192 M193	I93-D111 HydrophobicContact CD1-CB 3.94Å; D111-A113 PolarHBondContact O-N 3.27Å; D111-A113 PolarHBondContact OD1-N 3.48Å; D111-A113 VanDerWaalsContact OD1-N 3.07Å; D111-S114 PolarHBondContact O-N 3.42Å; D111-S114 PolarHBondContact OD2-OG 3.28Å; D111-S115 WeakPolarHBondContact O-CA 3.4Å; D111-S115 PolarHBondContact O-N 3.42Å; D111-V116 HydrophobicContact CB-CG2 4.08Å; D111-V116 PolarHBondContact N-O 3.18Å; D111-R192 IonicContact OD1-CZ 3.27Å; D111-R192 VanDerWaalsContact OD1-CZ 3.27Å; D111-R192 IonicContact OD1-NE 2.95Å; D111-R192 PolarHBondContact OD1-NE 3.11Å; D111-R192 IonicContact OD1-NH2 2.72Å; D111-R192 PolarHBondContact OD1-NH2 3.35Å; D111-R192 WeakPolarHBondContact OD2-CB 3.42Å; D111-R192 WeakPolarHBondContact OD2-CG 3.49Å; D111-R192 PolarHBondContact OD2-N 3.44Å; D111-R192 IonicContact OD2-NE 3.4Å; D111-R192 PolarHBondContact OD2-NE 3.09Å; D111-M193 HydrophobicContact CB-CE 4.01Å; D111-M193 HydrophobicContact CB-CG 4.43Å
112	M	97.5	Very high	98	Very high	81 Å²	81	19.6 Å²	19.6	40%	0.399	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.7	-174.6	-57.4	-162	-56.1	0	0	113.1	G92 K94 I110	G92-M112 WeakPolarHBondContact O-CB 3.5Å; G92-M112 WeakPolarHBondContact O-CG 3.36Å; G92-M112 PolarHBondContact O-N 2.92Å; K94-M112 HydrophobicContact CB-CG 4.13Å; K94-M112 HydrophobicContact CB-SD 4.05Å; I110-M112 HydrophobicContact CG2-CG 4.46Å; I110-M112 PolarHBondContact O-N 3.01Å
113	A	96.1	Very high	98.1	Very high	77 Å²	77	17.1 Å²	17.1	64%	0.636	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-35.6	-178.8	0	0	0	0	0	112.3	D111	D111-A113 PolarHBondContact O-N 3.27Å; D111-A113 PolarHBondContact OD1-N 3.48Å; D111-A113 VanDerWaalsContact OD1-N 3.07Å
114	S	97.2	Very high	98	Very high	58 Å²	58	15.5 Å²	15.5	41%	0.406	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-0.9	-179.2	57.7	0	0	0	0	113.8	D111 V116	D111-S114 PolarHBondContact O-N 3.42Å; D111-S114 PolarHBondContact OD2-OG 3.28Å; S114-V116 PolarHBondContact O-N 2.96Å; S114-V116 VanDerWaalsContact OG-CG2 3.3Å; S114-V116 WeakPolarHBondContact OG-CG2 3.42Å
115	S	97.5	Very high	97.9	Very high	60 Å²	60	16 Å²	16	42%	0.42	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	35.4	-176.1	-57.2	0	0	0	0	113.5	D111 V137 M138	D111-S115 WeakPolarHBondContact O-CA 3.4Å; D111-S115 PolarHBondContact O-N 3.42Å; S115-V137 WeakPolarHBondContact O-CA 3.01Å; S115-M138 PolarHBondContact O-N 3.06Å
116	V	98.3	Very high	97.8	Very high	20 Å²	20	21 Å²	21	12%	0.121	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	149.6	174.6	-56.3	0	0	0	0	110.1	D111 S114 M138 E140 V190 M193	D111-V116 HydrophobicContact CB-CG2 4.08Å; D111-V116 PolarHBondContact N-O 3.18Å; S114-V116 PolarHBondContact O-N 2.96Å; S114-V116 VanDerWaalsContact OG-CG2 3.3Å; S114-V116 WeakPolarHBondContact OG-CG2 3.42Å; V116-M138 CarbonylContact C-O 3.51Å; V116-M138 WeakPolarHBondContact CA-O 3.46Å; V116-E140 HydrophobicContact CB-CG 3.82Å; V116-E140 HydrophobicContact CG1-CG 4Å; V116-V190 HydrophobicContact CG2-CG1 3.94Å; V116-M193 HydrophobicContact CG2-CE 4.07Å
117	A	98.6	Very high	97.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.1	-175.5	0	0	0	0	0	113.4	L108 V109 I110 L132 V137 M138 E140	L108-A117 HydrophobicContact CD1-CB 3.66Å; V109-A117 CarbonylContact O-C 3.1Å; V109-A117 VanDerWaalsContact O-CA 3.24Å; V109-A117 WeakPolarHBondContact O-CA 3.38Å; I110-A117 HydrophobicContact CG1-CB 4.23Å; A117-L132 HydrophobicContact CB-CD2 4.11Å; A117-V137 HydrophobicContact CB-CB 4.24Å; A117-V137 HydrophobicContact CB-CG2 3.84Å; A117-M138 PolarHBondContact N-O 3.36Å; A117-E140 PolarHBondContact O-N 3.16Å
118	V	98.9	Very high	97.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136	165.7	178.4	0	0	0	0	107.8	V109 A141 L143 V190 M193 F195	V109-V118 HydrophobicContact CB-CB 4.48Å; V109-V118 PolarHBondContact N-O 3.38Å; V109-V118 PolarHBondContact O-N 2.89Å; V118-A141 WeakPolarHBondContact CA-O 3.39Å; V118-A141 HydrophobicContact CG1-CB 4.31Å; V118-A141 HydrophobicContact CG2-CB 4.08Å; V118-L143 HydrophobicContact CG1-CD1 3.75Å; V118-L143 HydrophobicContact CG1-CD2 4.32Å; V118-L143 HydrophobicContact CG1-CG 3.53Å; V118-V190 HydrophobicContact CG2-CB 3.7Å; V118-V190 HydrophobicContact CG2-CG1 3.77Å; V118-V190 HydrophobicContact CG2-CG2 3.67Å; V118-M193 HydrophobicContact CG2-CE 3.75Å; V118-M193 HydrophobicContact CG2-SD 4.15Å; V118-F195 HydrophobicContact CB-CE2 4.29Å; V118-F195 HydrophobicContact CB-CZ 4.31Å; V118-F195 HydrophobicContact CG1-CE2 4.29Å; V118-F195 HydrophobicContact CG1-CZ 4.23Å; V118-F195 HydrophobicContact CG2-CE2 4Å
119	V	98.9	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131	169.8	70.8	0	0	0	0	110.9	Y107 L108 P122 V128 L139 A141 I142 L143 L158	Y107-V119 CarbonylContact O-C 3.57Å; Y107-V119 VanDerWaalsContact O-CA 3.27Å; Y107-V119 WeakPolarHBondContact O-CA 3.28Å; L108-V119 HydrophobicContact CD1-CB 4.39Å; V119-P122 HydrophobicContact CG1-CB 3.85Å; V119-P122 HydrophobicContact CG1-CG 3.88Å; V119-P122 HydrophobicContact CG2-CB 4.02Å; V119-V128 HydrophobicContact CB-CG1 4.42Å; V119-V128 HydrophobicContact CG1-CG1 4.44Å; V119-V128 HydrophobicContact CG2-CG1 3.94Å; V119-V128 HydrophobicContact CG2-CG2 4.34Å; V119-L139 HydrophobicContact CB-CD1 4.15Å; V119-L139 HydrophobicContact CG1-CD1 3.76Å; V119-L139 HydrophobicContact CG1-CD2 4.5Å; V119-A141 PolarHBondContact N-O 2.88Å; V119-I142 HydrophobicContact CG1-CB 4.37Å; V119-I142 HydrophobicContact CG1-CG1 3.59Å; V119-I142 CarbonylContact O-C 3.6Å; V119-I142 VanDerWaalsContact O-CA 3.28Å; V119-I142 WeakPolarHBondContact O-CA 3.37Å; V119-L143 PolarHBondContact O-N 2.83Å; V119-L158 HydrophobicContact CG1-CD1 4.21Å
120	V	98.9	Very high	97.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131	172	-169.6	0	0	0	0	109.2	S106 Y107 L143 T145 F224	S106-V120 WeakPolarHBondContact CA-O 3.26Å; S106-V120 WeakPolarHBondContact CB-O 3.05Å; Y107-V120 HydrophobicContact CD2-CB 4.49Å; Y107-V120 PolarHBondContact N-O 3.33Å; Y107-V120 PolarHBondContact O-N 3.4Å; V120-L143 VanDerWaalsContact CA-O 3.29Å; V120-L143 WeakPolarHBondContact CA-O 3.39Å; V120-L143 HydrophobicContact CG1-CB 4.48Å; V120-L143 HydrophobicContact CG2-CB 4.24Å; V120-L143 HydrophobicContact CG2-CD1 4.37Å; V120-T145 HydrophobicContact CG1-CG2 4.12Å; V120-F224 HydrophobicContact CB-CD1 4.37Å; V120-F224 HydrophobicContact CB-CG 4.48Å; V120-F224 HydrophobicContact CG1-CB 3.98Å; V120-F224 HydrophobicContact CG1-CG 4.42Å; V120-F224 HydrophobicContact CG2-CB 4.24Å; V120-F224 HydrophobicContact CG2-CD1 3.89Å; V120-F224 HydrophobicContact CG2-CD2 4.17Å; V120-F224 HydrophobicContact CG2-CE1 4.32Å; V120-F224 HydrophobicContact CG2-CG 3.81Å
121	D	98.8	Very high	97.3	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	17%	0.172	C	C	.	.			trans	46.6	61.4	175.3	-68.1	-18.5	0	0	0	114.6	S106 A123 L143 C144 T145 H151	S106-D121 WeakPolarHBondContact CB-O 3.36Å; S106-D121 PolarHBondContact OG-O 3.48Å; D121-A123 VanDerWaalsContact C-N 3.26Å; D121-A123 PolarHBondContact O-N 3.19Å; D121-L143 PolarHBondContact N-O 3.5Å; D121-C144 WeakPolarHBondContact OD1-CA 3.34Å; D121-T145 VanDerWaalsContact CG-OG1 3.26Å; D121-T145 PolarHBondContact OD1-N 3.33Å; D121-T145 PolarHBondContact OD1-OG1 3.08Å; D121-T145 WeakPolarHBondContact OD2-CB 3.37Å; D121-T145 WeakPolarHBondContact OD2-CG2 3.35Å; D121-T145 PolarHBondContact OD2-OG1 3.33Å; D121-H151 CarbonylContact C-O 3.55Å; D121-H151 WeakPolarHBondContact CA-O 3.23Å; D121-H151 HydrophobicContact CB-CB 3.88Å; D121-H151 IonicContact OD2-CE1 2.66Å; D121-H151 IonicContact OD2-CG 3.77Å; D121-H151 IonicContact OD2-ND1 3.75Å; D121-H151 PolarHBondContact OD2-ND1 3.37Å
122	P	98.1	Very high	97.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.171	C	C	.	.			trans	-72.6	79.2	-178.7	32.6	-36.2	0	0	0	111.1	S106 V119 D124 V128 I142 H151 G154 N155 L158	S106-P122 WeakPolarHBondContact OG-CA 3.38Å; V119-P122 HydrophobicContact CG1-CB 3.85Å; V119-P122 HydrophobicContact CG1-CG 3.88Å; V119-P122 HydrophobicContact CG2-CB 4.02Å; P122-D124 PolarHBondContact O-N 3.36Å; P122-V128 HydrophobicContact CB-CG1 4.46Å; P122-V128 HydrophobicContact CB-CG2 3.96Å; P122-I142 HydrophobicContact CG-CD1 4.16Å; P122-I142 HydrophobicContact CG-CG1 4.18Å; P122-I142 HydrophobicContact CG-CG2 3.68Å; P122-H151 CarbonylContact C-O 3.55Å; P122-G154 WeakPolarHBondContact O-CA 3.29Å; P122-G154 PolarHBondContact O-N 3.42Å; P122-N155 WeakPolarHBondContact CG-OD1 3.39Å; P122-L158 HydrophobicContact CB-CD1 3.39Å; P122-L158 HydrophobicContact CG-CD1 3.82Å
123	A	96	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-60.6	-46.3	-178.1	0	0	0	0	0	111.5	Y67 V100 L101 S106 D121 D150 H151 G154	Y67-A123 PolarHBondContact OH-O 3.4Å; V100-A123 HydrophobicContact CB-CB 4.36Å; V100-A123 HydrophobicContact CG2-CB 3.66Å; L101-A123 HydrophobicContact CD1-CB 4.22Å; S106-A123 PolarHBondContact OG-N 2.91Å; D121-A123 VanDerWaalsContact C-N 3.26Å; D121-A123 PolarHBondContact O-N 3.19Å; A123-D150 WeakPolarHBondContact CB-O 3.42Å; A123-H151 PolarHBondContact N-O 3.17Å; A123-G154 PolarHBondContact O-N 2.98Å
124	D	95.9	Very high	97.4	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	19%	0.186	C	C	.	.			trans	-108.6	102.6	-179.5	-171.6	-29.9	0	0	0	110.5	M71 R75 V100 P122 Q126 T127 V128	M71-D124 HydrophobicContact CE-CB 3.66Å; M71-D124 WeakPolarHBondContact CE-OD1 3.48Å; M71-D124 WeakPolarHBondContact CE-OD2 3.34Å; R75-D124 IonicContact CZ-OD1 3.33Å; R75-D124 IonicContact CZ-OD2 3.26Å; R75-D124 IonicContact NE-OD2 2.79Å; R75-D124 PolarHBondContact NE-OD2 2.88Å; R75-D124 IonicContact NH2-OD1 3.03Å; R75-D124 PolarHBondContact NH2-OD1 3.38Å; R75-D124 IonicContact NH2-OD2 3.86Å; R75-D124 PolarHBondContact NH2-OD2 3.22Å; V100-D124 HydrophobicContact CB-CB 4.1Å; V100-D124 HydrophobicContact CG1-CB 3.82Å; P122-D124 PolarHBondContact O-N 3.36Å; D124-Q126 VanDerWaalsContact C-N 3.26Å; D124-Q126 PolarHBondContact O-N 3.3Å; D124-Q126 PolarHBondContact OD1-N 3.13Å; D124-Q126 PolarHBondContact OD1-OE1 2.74Å; D124-T127 VanDerWaalsContact CG-OG1 3.25Å; D124-T127 PolarHBondContact O-N 2.83Å; D124-T127 PolarHBondContact OD1-N 2.74Å; D124-T127 VanDerWaalsContact OD1-N 3.11Å; D124-T127 PolarHBondContact OD2-OG1 3.22Å; D124-V128 WeakPolarHBondContact O-CG2 3.45Å; D124-V128 PolarHBondContact O-N 2.68Å
125	P	95.6	Very high	97.5	Very high	14 Å²	14	33.7 Å²	33.7	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-67.1	-26.3	-176.1	27.6	-33.1	0	0	0	112.7	Q129 L158	P125-Q129 WeakPolarHBondContact O-CB 3.43Å; P125-Q129 PolarHBondContact O-N 3.2Å; P125-L158 HydrophobicContact CB-CD2 4.26Å; P125-L158 HydrophobicContact CB-CG 3.94Å
126	Q	95.2	Very high	97.5	Very high	110 Å²	110	33.7 Å²	33.7	51%	0.514	19%	0.189	S	C	.	.	H	α-helix	trans	-76.3	-41.8	178.6	-67.8	86.9	7.4	0	0	111.5	D124 Q129 A130	D124-Q126 VanDerWaalsContact C-N 3.26Å; D124-Q126 PolarHBondContact O-N 3.3Å; D124-Q126 PolarHBondContact OD1-N 3.13Å; D124-Q126 PolarHBondContact OD1-OE1 2.74Å; Q126-Q129 PolarHBondContact O-N 2.84Å; Q126-A130 PolarHBondContact O-N 3.47Å
127	T	95.6	Very high	97.5	Very high	44 Å²	44	33.5 Å²	33.5	27%	0.27	19%	0.188	S	C	.	.	H	α-helix	trans	-64.1	-44.8	175.8	-57.6	0	0	0	0	110.6	I98 V100 D124 Q129 A130 V131	I98-T127 HydrophobicContact CG2-CG2 3.64Å; V100-T127 HydrophobicContact CG1-CG2 4.18Å; D124-T127 VanDerWaalsContact CG-OG1 3.25Å; D124-T127 PolarHBondContact O-N 2.83Å; D124-T127 PolarHBondContact OD1-N 2.74Å; D124-T127 VanDerWaalsContact OD1-N 3.11Å; D124-T127 PolarHBondContact OD2-OG1 3.22Å; T127-Q129 PolarHBondContact O-N 3.16Å; T127-A130 PolarHBondContact O-N 3.18Å; T127-V131 WeakPolarHBondContact O-CG2 3.27Å; T127-V131 PolarHBondContact O-N 3.29Å
128	V	97.3	Very high	97.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-42.2	177.1	173.7	0	0	0	0	111.5	I98 V119 P122 D124 A130 V131 L132 L158	I98-V128 HydrophobicContact CD1-CG2 4.21Å; V119-V128 HydrophobicContact CB-CG1 4.42Å; V119-V128 HydrophobicContact CG1-CG1 4.44Å; V119-V128 HydrophobicContact CG2-CG1 3.94Å; V119-V128 HydrophobicContact CG2-CG2 4.34Å; P122-V128 HydrophobicContact CB-CG1 4.46Å; P122-V128 HydrophobicContact CB-CG2 3.96Å; D124-V128 WeakPolarHBondContact O-CG2 3.45Å; D124-V128 PolarHBondContact O-N 2.68Å; V128-A130 VanDerWaalsContact C-N 3.33Å; V128-A130 PolarHBondContact O-N 2.72Å; V128-V131 PolarHBondContact O-N 3.46Å; V128-L132 HydrophobicContact CG1-CD1 3.9Å; V128-L132 HydrophobicContact CG1-CG 4.31Å; V128-L132 WeakPolarHBondContact O-CG 3.41Å; V128-L132 PolarHBondContact O-N 3.37Å; V128-L158 HydrophobicContact CB-CD1 4.12Å; V128-L158 HydrophobicContact CB-CD2 4.44Å; V128-L158 HydrophobicContact CG1-CD1 3.66Å; V128-L158 HydrophobicContact CG1-CD2 4.21Å
129	Q	97.7	Very high	97.4	Very high	30 Å²	30	37.2 Å²	37.2	14%	0.14	21%	0.207	C	C	.	.	H	α-helix	trans	-56.4	-46.4	175.1	-179.6	64.1	34.8	0	0	112	P125 Q126 T127 V131 L132 E133 L161 Y162	P125-Q129 WeakPolarHBondContact O-CB 3.43Å; P125-Q129 PolarHBondContact O-N 3.2Å; Q126-Q129 PolarHBondContact O-N 2.84Å; T127-Q129 PolarHBondContact O-N 3.16Å; Q129-V131 VanDerWaalsContact C-N 3.33Å; Q129-V131 PolarHBondContact O-N 2.88Å; Q129-L132 PolarHBondContact O-N 3.39Å; Q129-E133 PolarHBondContact NE2-OE1 3.27Å; Q129-E133 WeakPolarHBondContact O-CG 3.27Å; Q129-E133 PolarHBondContact O-N 2.7Å; Q129-L161 HydrophobicContact CG-CD1 4.24Å; Q129-Y162 PolarHBondContact NE2-OH 3.31Å; Q129-Y162 PolarHBondContact OE1-OH 2.77Å; Q129-Y162 VanDerWaalsContact OE1-OH 3.14Å
130	A	96.8	Very high	97.4	Very high	52 Å²	52	40 Å²	40	43%	0.43	22%	0.22	S	C	.	.	H	α-helix	trans	-61.7	-41	-179.5	0	0	0	0	0	112	Q126 T127 V128 E133 E134	Q126-A130 PolarHBondContact O-N 3.47Å; T127-A130 PolarHBondContact O-N 3.18Å; V128-A130 VanDerWaalsContact C-N 3.33Å; V128-A130 PolarHBondContact O-N 2.72Å; A130-E133 PolarHBondContact O-N 3.44Å; A130-E134 WeakPolarHBondContact O-CB 3.49Å; A130-E134 PolarHBondContact O-N 2.86Å
131	V	97.3	Very high	97.4	Very high	19 Å²	19	40 Å²	40	12%	0.115	22%	0.219	C	C	.	.	H	α-helix	trans	-68.9	-39.1	177.3	-178.8	0	0	0	0	111.5	M96 I98 L108 T127 V128 Q129 E133 E134 E135	M96-V131 HydrophobicContact CE-CG1 4.05Å; I98-V131 HydrophobicContact CD1-CB 3.94Å; I98-V131 HydrophobicContact CD1-CG1 3.95Å; I98-V131 HydrophobicContact CD1-CG2 4.07Å; I98-V131 HydrophobicContact CG1-CG1 4.3Å; I98-V131 HydrophobicContact CG1-CG2 4.26Å; I98-V131 HydrophobicContact CG2-CG2 4.24Å; L108-V131 HydrophobicContact CD2-CG1 3.71Å; T127-V131 WeakPolarHBondContact O-CG2 3.27Å; T127-V131 PolarHBondContact O-N 3.29Å; V128-V131 PolarHBondContact O-N 3.46Å; Q129-V131 VanDerWaalsContact C-N 3.33Å; Q129-V131 PolarHBondContact O-N 2.88Å; V131-E133 VanDerWaalsContact C-N 3.31Å; V131-E133 PolarHBondContact O-N 3.37Å; V131-E134 PolarHBondContact O-N 2.66Å; V131-E135 HydrophobicContact CG1-CG 4.28Å; V131-E135 WeakPolarHBondContact O-CB 3.41Å; V131-E135 WeakPolarHBondContact O-CG 3.35Å; V131-E135 PolarHBondContact O-N 2.8Å
132	L	98.2	Very high	97.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-60	-41.4	174.5	-73	165.6	0	0	0	112	L108 A117 V128 Q129 G136 V137 L139 Y162	L108-L132 HydrophobicContact CD1-CD2 3.54Å; L108-L132 HydrophobicContact CD1-CG 4.4Å; L108-L132 HydrophobicContact CD2-CD2 4.31Å; A117-L132 HydrophobicContact CB-CD2 4.11Å; V128-L132 HydrophobicContact CG1-CD1 3.9Å; V128-L132 HydrophobicContact CG1-CG 4.31Å; V128-L132 WeakPolarHBondContact O-CG 3.41Å; V128-L132 PolarHBondContact O-N 3.37Å; Q129-L132 PolarHBondContact O-N 3.39Å; L132-G136 PolarHBondContact O-N 2.83Å; L132-V137 HydrophobicContact CD2-CG2 3.74Å; L132-V137 PolarHBondContact O-N 3.25Å; L132-L139 HydrophobicContact CD1-CB 3.96Å; L132-L139 HydrophobicContact CD1-CD2 4.11Å; L132-L139 HydrophobicContact CD1-CG 4.42Å; L132-L139 HydrophobicContact CD2-CB 4.16Å; L132-L139 HydrophobicContact CD2-CD1 4.47Å; L132-Y162 HydrophobicContact CD1-CE2 3.74Å
133	E	97.9	Very high	97.5	Very high	132 Å²	132	39.8 Å²	39.8	62%	0.617	22%	0.218	S	C	*	.	H	α-helix	trans	-68.4	-43.1	176.8	-72.8	171.5	-177.9	0	0	112.2	Q129 A130 V131 E135 G136	Q129-E133 PolarHBondContact NE2-OE1 3.27Å; Q129-E133 WeakPolarHBondContact O-CG 3.27Å; Q129-E133 PolarHBondContact O-N 2.7Å; A130-E133 PolarHBondContact O-N 3.44Å; V131-E133 VanDerWaalsContact C-N 3.31Å; V131-E133 PolarHBondContact O-N 3.37Å; E133-E135 VanDerWaalsContact C-N 3.34Å; E133-E135 PolarHBondContact O-N 3.04Å; E133-G136 PolarHBondContact O-N 3.03Å
134	E	97.5	Very high	97.6	Very high	158 Å²	158	39.8 Å²	39.8	74%	0.738	22%	0.218	S	C	*	.	H	α-helix	trans	-61.4	-42	177.1	-177.3	176.2	-175.2	0	0	112	A130 V131 G136	A130-E134 WeakPolarHBondContact O-CB 3.49Å; A130-E134 PolarHBondContact O-N 2.86Å; V131-E134 PolarHBondContact O-N 2.66Å; E134-G136 VanDerWaalsContact C-N 3.3Å
135	E	97.8	Very high	97.7	Very high	59 Å²	59	39.6 Å²	39.6	28%	0.276	22%	0.217	S	C	.	.	H	α-helix	trans	-79.2	-13.2	178.1	-67.8	-70.1	153.8	0	0	112.9	K94 M96 L108 I110 V131 E133 V137	K94-E135 IonicContact NZ-OE1 2.67Å; K94-E135 PolarHBondContact NZ-OE1 2.69Å; K94-E135 IonicContact NZ-OE2 2.95Å; K94-E135 PolarHBondContact NZ-OE2 3.39Å; M96-E135 HydrophobicContact CE-CG 4.3Å; M96-E135 VanDerWaalsContact CE-OE1 3.31Å; M96-E135 WeakPolarHBondContact CE-OE1 3.11Å; M96-E135 VanDerWaalsContact SD-CD 3.57Å; M96-E135 HydrophobicContact SD-CG 3.92Å; L108-E135 HydrophobicContact CD2-CG 4.4Å; I110-E135 HydrophobicContact CD1-CB 4.09Å; I110-E135 HydrophobicContact CD1-CG 4.03Å; V131-E135 HydrophobicContact CG1-CG 4.28Å; V131-E135 WeakPolarHBondContact O-CB 3.41Å; V131-E135 WeakPolarHBondContact O-CG 3.35Å; V131-E135 PolarHBondContact O-N 2.8Å; E133-E135 VanDerWaalsContact C-N 3.34Å; E133-E135 PolarHBondContact O-N 3.04Å; E135-V137 HydrophobicContact CB-CG1 4.2Å; E135-V137 HydrophobicContact CB-CG2 4Å; E135-V137 PolarHBondContact O-N 3.17Å
136	G	97.8	Very high	97.9	Very high	59 Å²	59	39 Å²	39	61%	0.608	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	36.3	179.8	0	0	0	0	0	113.8	L132 E133 E134	L132-G136 PolarHBondContact O-N 2.83Å; E133-G136 PolarHBondContact O-N 3.03Å; E134-G136 VanDerWaalsContact C-N 3.3Å
137	V	98.2	Very high	98	Very high	16 Å²	16	35 Å²	35	10%	0.097	19%	0.194	C	C	.	.			trans	-114.4	154	-173.5	-64.3	0	0	0	0	113.2	I110 S115 A117 L132 E135	I110-V137 HydrophobicContact CD1-CG1 4.23Å; I110-V137 HydrophobicContact CD1-CG2 4.37Å; I110-V137 HydrophobicContact CG1-CG1 4.45Å; I110-V137 HydrophobicContact CG1-CG2 4.48Å; I110-V137 HydrophobicContact CG2-CG1 3.67Å; S115-V137 WeakPolarHBondContact O-CA 3.01Å; A117-V137 HydrophobicContact CB-CB 4.24Å; A117-V137 HydrophobicContact CB-CG2 3.84Å; L132-V137 HydrophobicContact CD2-CG2 3.74Å; L132-V137 PolarHBondContact O-N 3.25Å; E135-V137 HydrophobicContact CB-CG1 4.2Å; E135-V137 HydrophobicContact CB-CG2 4Å; E135-V137 PolarHBondContact O-N 3.17Å
138	M	97.9	Very high	98.1	Very high	79 Å²	79	33.2 Å²	33.2	39%	0.389	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.3	179	-174.3	73	-101.6	0	0	111.2	S115 V116 A117 E140 Y162	S115-M138 PolarHBondContact O-N 3.06Å; V116-M138 CarbonylContact C-O 3.51Å; V116-M138 WeakPolarHBondContact CA-O 3.46Å; A117-M138 PolarHBondContact N-O 3.36Å; M138-E140 PolarHBondContact O-N 2.59Å; M138-Y162 HydrophobicContact CE-CD1 3.18Å; M138-Y162 HydrophobicContact CE-CE1 3.41Å; M138-Y162 VanDerWaalsContact CE-CE1 3.41Å; M138-Y162 HydrophobicContact CE-CG 4.29Å
139	L	98.6	Very high	98.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	114.7	173.7	-178	66.8	0	0	0	111.6	V119 L132 A141 I142 L158 Y162	V119-L139 HydrophobicContact CB-CD1 4.15Å; V119-L139 HydrophobicContact CG1-CD1 3.76Å; V119-L139 HydrophobicContact CG1-CD2 4.5Å; L132-L139 HydrophobicContact CD1-CB 3.96Å; L132-L139 HydrophobicContact CD1-CD2 4.11Å; L132-L139 HydrophobicContact CD1-CG 4.42Å; L132-L139 HydrophobicContact CD2-CB 4.16Å; L132-L139 HydrophobicContact CD2-CD1 4.47Å; L139-A141 WeakPolarHBondContact CD1-O 3.49Å; L139-I142 HydrophobicContact CD2-CD1 4.4Å; L139-I142 HydrophobicContact CD2-CG1 4.32Å; L139-L158 HydrophobicContact CD2-CB 4.13Å; L139-L158 HydrophobicContact CD2-CD1 4.24Å; L139-Y162 HydrophobicContact CB-CD1 4.28Å; L139-Y162 HydrophobicContact CB-CD2 4Å; L139-Y162 HydrophobicContact CB-CE1 4.37Å; L139-Y162 HydrophobicContact CB-CE2 4.11Å; L139-Y162 HydrophobicContact CB-CG 4.05Å; L139-Y162 HydrophobicContact CD2-CD2 3.58Å; L139-Y162 HydrophobicContact CD2-CE2 4.04Å; L139-Y162 HydrophobicContact CD2-CG 4.18Å; L139-Y162 HydrophobicContact CG-CD2 4.37Å
140	E	98.6	Very high	98	Very high	59 Å²	59	34.8 Å²	34.8	28%	0.276	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-36.3	179.8	-79.4	-70	161.9	0	0	112.7	V116 A117 M138 C165 R166 V190	V116-E140 HydrophobicContact CB-CG 3.82Å; V116-E140 HydrophobicContact CG1-CG 4Å; A117-E140 PolarHBondContact O-N 3.16Å; M138-E140 PolarHBondContact O-N 2.59Å; E140-C165 WeakPolarHBondContact O-CA 3.44Å; E140-R166 PolarHBondContact O-N 2.89Å; E140-V190 HydrophobicContact CB-CG1 3.59Å; E140-V190 HydrophobicContact CG-CG1 4.09Å
141	A	98.8	Very high	98.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149	-176.2	0	0	0	0	0	114	V118 V119 L139 R166 Y168 V190	V118-A141 WeakPolarHBondContact CA-O 3.39Å; V118-A141 HydrophobicContact CG1-CB 4.31Å; V118-A141 HydrophobicContact CG2-CB 4.08Å; V119-A141 PolarHBondContact N-O 2.88Å; L139-A141 WeakPolarHBondContact CD1-O 3.49Å; A141-R166 CarbonylContact C-O 3.59Å; A141-R166 VanDerWaalsContact CA-O 3.26Å; A141-R166 WeakPolarHBondContact CA-O 3.43Å; A141-Y168 HydrophobicContact CB-CD2 4.06Å; A141-Y168 HydrophobicContact CB-CE2 3.77Å; A141-V190 HydrophobicContact CB-CG2 3.96Å
142	I	98.9	Very high	98.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125	167.1	-68	167.5	0	0	0	107.6	V119 P122 L139 L158 R166 V167 Y168	V119-I142 HydrophobicContact CG1-CB 4.37Å; V119-I142 HydrophobicContact CG1-CG1 3.59Å; V119-I142 CarbonylContact O-C 3.6Å; V119-I142 VanDerWaalsContact O-CA 3.28Å; V119-I142 WeakPolarHBondContact O-CA 3.37Å; P122-I142 HydrophobicContact CG-CD1 4.16Å; P122-I142 HydrophobicContact CG-CG1 4.18Å; P122-I142 HydrophobicContact CG-CG2 3.68Å; L139-I142 HydrophobicContact CD2-CD1 4.4Å; L139-I142 HydrophobicContact CD2-CG1 4.32Å; I142-L158 HydrophobicContact CD1-CB 3.84Å; I142-L158 HydrophobicContact CD1-CD1 4.14Å; I142-R166 PolarHBondContact N-O 3.41Å; I142-V167 HydrophobicContact CB-CG1 4.42Å; I142-V167 HydrophobicContact CB-CG2 4.31Å; I142-V167 HydrophobicContact CD1-CG2 4.15Å; I142-V167 HydrophobicContact CG2-CG1 4.3Å; I142-Y168 PolarHBondContact O-N 3.41Å
143	L	98.9	Very high	98	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.2	170	-53.5	-175.2	0	0	0	108.3	V118 V119 V120 D121 Y168 I188 F195 Y210	V118-L143 HydrophobicContact CG1-CD1 3.75Å; V118-L143 HydrophobicContact CG1-CD2 4.32Å; V118-L143 HydrophobicContact CG1-CG 3.53Å; V119-L143 PolarHBondContact O-N 2.83Å; V120-L143 VanDerWaalsContact CA-O 3.29Å; V120-L143 WeakPolarHBondContact CA-O 3.39Å; V120-L143 HydrophobicContact CG1-CB 4.48Å; V120-L143 HydrophobicContact CG2-CB 4.24Å; V120-L143 HydrophobicContact CG2-CD1 4.37Å; D121-L143 PolarHBondContact N-O 3.5Å; L143-Y168 HydrophobicContact CD2-CD2 3.74Å; L143-Y168 HydrophobicContact CD2-CG 3.99Å; L143-I188 HydrophobicContact CD2-CD1 3.5Å; L143-I188 VanDerWaalsContact CD2-CD1 3.5Å; L143-I188 HydrophobicContact CD2-CG2 4.41Å; L143-F195 HydrophobicContact CD1-CB 4.47Å; L143-F195 HydrophobicContact CD1-CD1 3.68Å; L143-F195 HydrophobicContact CD1-CD2 4.24Å; L143-F195 HydrophobicContact CD1-CE1 3.81Å; L143-F195 HydrophobicContact CD1-CE2 4.35Å; L143-F195 HydrophobicContact CD1-CG 3.89Å; L143-F195 HydrophobicContact CD1-CZ 4.16Å; L143-Y210 HydrophobicContact CB-CD1 4.21Å; L143-Y210 HydrophobicContact CB-CD2 3.79Å; L143-Y210 HydrophobicContact CB-CE1 4.11Å; L143-Y210 HydrophobicContact CB-CE2 3.69Å; L143-Y210 HydrophobicContact CB-CG 4.05Å; L143-Y210 HydrophobicContact CD1-CD1 3.93Å; L143-Y210 HydrophobicContact CD1-CD2 4.36Å; L143-Y210 HydrophobicContact CD1-CG 3.83Å; L143-Y210 HydrophobicContact CD2-CD1 4.39Å; L143-Y210 HydrophobicContact CD2-CE1 4.25Å; L143-Y210 HydrophobicContact CG-CD1 4.4Å; L143-Y210 HydrophobicContact CG-CG 4.46Å
144	C	98.8	Very high	98	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.			trans	-105.2	118.4	-179.7	-164.8	0	0	0	0	109.6	D121 H146 S152 N155 Y168 I175 Y210	D121-C144 WeakPolarHBondContact OD1-CA 3.34Å; C144-H146 PolarHBondContact SG-O 3.21Å; C144-S152 WeakPolarHBondContact SG-CB 2.94Å; C144-N155 PolarHBondContact SG-ND2 3.07Å; C144-N155 VanDerWaalsContact SG-ND2 3.42Å; C144-Y168 WeakPolarHBondContact CB-O 3.12Å; C144-Y168 PolarHBondContact N-O 3.39Å; C144-I175 HydrophobicContact CB-CD1 4.45Å; C144-I175 HydrophobicContact CB-CG2 3.76Å; C144-Y210 PolarHBondContact N-OH 3.22Å; C144-Y210 PolarHBondContact O-OH 2.96Å
145	T	98.9	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.104	C	C	.	.			trans	-69	-44.4	-177.9	61.4	0	0	0	0	110.4	V120 D121 H207 M208 Y210	V120-T145 HydrophobicContact CG1-CG2 4.12Å; D121-T145 VanDerWaalsContact CG-OG1 3.26Å; D121-T145 PolarHBondContact OD1-N 3.33Å; D121-T145 PolarHBondContact OD1-OG1 3.08Å; D121-T145 WeakPolarHBondContact OD2-CB 3.37Å; D121-T145 WeakPolarHBondContact OD2-CG2 3.35Å; D121-T145 PolarHBondContact OD2-OG1 3.33Å; T145-H207 CarbonylContact O-C 3.58Å; T145-H207 WeakPolarHBondContact O-CA 3.35Å; T145-M208 WeakPolarHBondContact CA-O 3.31Å; T145-M208 VanDerWaalsContact CB-O 3.25Å; T145-M208 WeakPolarHBondContact CB-O 3.31Å; T145-M208 PolarHBondContact O-N 3.17Å; T145-Y210 HydrophobicContact CG2-CD2 4.08Å; T145-Y210 HydrophobicContact CG2-CE2 3.99Å
146	H	98.8	Very high	98	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.119	C	C	.	.			trans	-160.2	173.9	-179.5	71.3	-76.3	0	0	0	113.4	C144 H148 H151 D173 H203 T204 H207 D227	C144-H146 PolarHBondContact SG-O 3.21Å; H146-H148 AromaticContact CD2-CD2 3.93Å; H146-H148 AromaticContact CD2-CG 3.52Å; H146-H148 PolarHBondContact CD2-N 3.28Å; H146-H148 AromaticContact CD2-ND1 3.83Å; H146-H148 WeakPolarHBondContact NE2-CB 3.49Å; H146-H148 AromaticContact NE2-CG 3.43Å; H146-H148 AromaticContact NE2-ND1 3.46Å; H146-H148 PolarHBondContact NE2-ND1 2.6Å; H146-H148 PolarHBondContact O-N 2.68Å; H146-H151 AromaticContact CE1-CD2 3.16Å; H146-H151 PolarHBondContact CE1-CD2 2.91Å; H146-H151 AromaticContact CE1-CE1 3.54Å; H146-H151 AromaticContact CE1-CG 3.29Å; H146-H151 AromaticContact CE1-ND1 3.51Å; H146-H151 AromaticContact CE1-NE2 3.36Å; H146-H151 PolarHBondContact CE1-NE2 2.93Å; H146-H151 AromaticContact ND1-CG 3.84Å; H146-H151 AromaticContact ND1-ND1 3.96Å; H146-H151 AromaticContact NE2-CD2 3.5Å; H146-H151 AromaticContact NE2-CG 3.94Å; H146-H151 AromaticContact NE2-NE2 3.93Å; H146-D173 VanDerWaalsContact CA-OD2 3.27Å; H146-D173 WeakPolarHBondContact CA-OD2 3.46Å; H146-D173 VanDerWaalsContact CB-OD2 3.27Å; H146-D173 WeakPolarHBondContact CB-OD2 3.25Å; H146-H203 AromaticContact CD2-CD2 3.77Å; H146-H203 AromaticContact NE2-CD2 3.7Å; H146-H203 AromaticContact NE2-NE2 3.68Å; H146-T204 HydrophobicContact CB-CG2 4.08Å; H146-T204 WeakPolarHBondContact CB-OG1 3.46Å; H146-H207 HydrophobicContact CB-CB 4.32Å; H146-H207 AromaticContact CG-CD2 3.7Å; H146-H207 AromaticContact ND1-CD2 3.69Å; H146-H207 AromaticContact ND1-NE2 3.65Å; H146-D227 IonicContact CE1-OD1 3.2Å
147	K	97.3	Very high	97.9	Very high	26 Å²	26	20.4 Å²	20.4	11%	0.113	11%	0.105	C	C	.	.	S	Bend	trans	-77.2	-9.3	-167.2	72	172.9	167.2	-106.9	0	116.8	T58 S152 D173 I175 T204 E239	T58-K147 HydrophobicContact CG2-CD 4.49Å; K147-S152 PolarHBondContact O-OG 3.26Å; K147-D173 HydrophobicContact CB-CB 4.06Å; K147-D173 WeakPolarHBondContact CB-O 3.5Å; K147-D173 VanDerWaalsContact CD-O 3.26Å; K147-D173 WeakPolarHBondContact CD-O 3.38Å; K147-D173 VanDerWaalsContact CD-OD1 3.28Å; K147-D173 WeakPolarHBondContact CD-OD1 3.49Å; K147-D173 WeakPolarHBondContact CE-OD1 3.36Å; K147-D173 HydrophobicContact CG-CB 4.5Å; K147-D173 WeakPolarHBondContact CG-OD1 3.21Å; K147-D173 PolarHBondContact N-OD2 3.41Å; K147-D173 IonicContact NZ-OD1 3.58Å; K147-D173 PolarHBondContact NZ-OD1 2.78Å; K147-I175 HydrophobicContact CB-CD1 4.15Å; K147-T204 HydrophobicContact CG-CG2 4.4Å; K147-E239 WeakPolarHBondContact CE-OE1 3.37Å; K147-E239 IonicContact NZ-OE1 2.68Å; K147-E239 PolarHBondContact NZ-OE1 3.11Å; K147-E239 IonicContact NZ-OE2 2.69Å; K147-E239 PolarHBondContact NZ-OE2 2.7Å
148	H	97.7	Very high	97.9	Very high	8 Å²	8	19.7 Å²	19.7	4%	0.037	10%	0.1	C	C	.	.			trans	-63.7	148.5	-175.2	-67.2	177.5	0	0	0	110.3	Y54 Y57 H146 D150 H151 S152 H203 F238	Y54-H148 AromaticContact CE2-CE1 3.92Å; Y54-H148 AromaticContact CE2-NE2 3.45Å; Y54-H148 WeakPolarHBondContact CE2-NE2 3.44Å; Y54-H148 AromaticContact CZ-NE2 3.53Å; Y54-H148 PolarHBondContact OH-NE2 2.97Å; Y57-H148 HydrophobicContact CE1-CB 4.26Å; H146-H148 AromaticContact CD2-CD2 3.93Å; H146-H148 AromaticContact CD2-CG 3.52Å; H146-H148 PolarHBondContact CD2-N 3.28Å; H146-H148 AromaticContact CD2-ND1 3.83Å; H146-H148 WeakPolarHBondContact NE2-CB 3.49Å; H146-H148 AromaticContact NE2-CG 3.43Å; H146-H148 AromaticContact NE2-ND1 3.46Å; H146-H148 PolarHBondContact NE2-ND1 2.6Å; H146-H148 PolarHBondContact O-N 2.68Å; H148-D150 VanDerWaalsContact CB-OD1 3.25Å; H148-D150 WeakPolarHBondContact CB-OD1 3.45Å; H148-D150 PolarHBondContact O-N 2.86Å; H148-H151 PolarHBondContact O-N 2.69Å; H148-H151 VanDerWaalsContact O-N 3.07Å; H148-S152 PolarHBondContact O-N 3.21Å; H148-S152 PolarHBondContact O-OG 3.42Å; H148-H203 AromaticContact CE1-CD2 3.85Å; H148-H203 AromaticContact CE1-CE1 3.88Å; H148-H203 AromaticContact CE1-NE2 3.07Å; H148-H203 PolarHBondContact CE1-NE2 3.05Å; H148-H203 AromaticContact ND1-NE2 3.29Å; H148-H203 PolarHBondContact ND1-NE2 3.11Å; H148-F238 AromaticContact CE1-CD2 3.66Å; H148-F238 AromaticContact CE1-CE2 3.84Å
149	W	96.9	Very high	97.8	Very high	37 Å²	37	18.5 Å²	18.5	14%	0.14	9%	0.093	C	C	.	.	H	α-helix	trans	-69.2	-26.1	-169.4	-72.4	109.1	0	0	0	112.7	Y57 Y64 Y67 H151 G153 P176	Y57-W149 HydrophobicContact CE2-CB 4.36Å; Y57-W149 AromaticContact CE2-CD1 3.68Å; Y57-W149 HydrophobicContact CE2-CG 4.41Å; Y57-W149 AromaticContact CZ-CD1 3.89Å; Y57-W149 PolarHBondContact O-NE1 2.95Å; Y57-W149 PolarHBondContact OH-N 2.78Å; Y64-W149 HydrophobicContact CD2-CD2 4.27Å; Y64-W149 AromaticContact CD2-CE3 3.77Å; Y64-W149 HydrophobicContact CD2-CE3 3.77Å; Y64-W149 AromaticContact CD2-CH2 3.95Å; Y64-W149 HydrophobicContact CD2-CH2 3.95Å; Y64-W149 HydrophobicContact CD2-CZ2 4.44Å; Y64-W149 AromaticContact CD2-CZ3 3.59Å; Y64-W149 HydrophobicContact CD2-CZ3 3.59Å; Y64-W149 HydrophobicContact CE2-CE3 4.49Å; Y64-W149 HydrophobicContact CE2-CZ3 4.23Å; Y64-W149 HydrophobicContact CG-CH2 4.39Å; Y64-W149 HydrophobicContact CG-CZ3 4.45Å; Y67-W149 HydrophobicContact CD1-CB 4.35Å; Y67-W149 HydrophobicContact CD2-CB 3.95Å; Y67-W149 WeakPolarHBondContact CD2-O 3.36Å; Y67-W149 WeakPolarHBondContact CE2-O 3.45Å; Y67-W149 HydrophobicContact CG-CB 3.68Å; Y67-W149 HydrophobicContact CG-CG 4.4Å; W149-H151 PolarHBondContact O-N 3.11Å; W149-G153 WeakPolarHBondContact O-CA 3.39Å; W149-G153 PolarHBondContact O-N 3.11Å; W149-P176 HydrophobicContact CH2-CG 4.15Å; W149-P176 HydrophobicContact CZ3-CB 4.43Å; W149-P176 HydrophobicContact CZ3-CG 3.96Å
150	D	96.4	Very high	97.8	Very high	25 Å²	25	27.2 Å²	27.2	13%	0.134	13%	0.131	C	C	.	.	H	α-helix	trans	-74.6	1	173.4	54	-48.6	0	0	0	114.3	Y57 L101 N104 A123 H148 H265	Y57-D150 PolarHBondContact OH-OD1 3.46Å; L101-D150 HydrophobicContact CD1-CB 3.32Å; N104-D150 PolarHBondContact ND2-O 3.33Å; N104-D150 PolarHBondContact ND2-OD2 2.98Å; A123-D150 WeakPolarHBondContact CB-O 3.42Å; H148-D150 VanDerWaalsContact CB-OD1 3.25Å; H148-D150 WeakPolarHBondContact CB-OD1 3.45Å; H148-D150 PolarHBondContact O-N 2.86Å; D150-H265 IonicContact OD2-CE1 3.26Å; D150-H265 PolarHBondContact OD2-CE1 3.28Å; D150-H265 IonicContact OD2-NE2 2.89Å
151	H	98.4	Very high	97.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-121.7	-46.5	169.8	-66.4	-102	0	0	0	111.3	D121 P122 A123 H146 H148 W149 D227 H265	D121-H151 CarbonylContact C-O 3.55Å; D121-H151 WeakPolarHBondContact CA-O 3.23Å; D121-H151 HydrophobicContact CB-CB 3.88Å; D121-H151 IonicContact OD2-CE1 2.66Å; D121-H151 IonicContact OD2-CG 3.77Å; D121-H151 IonicContact OD2-ND1 3.75Å; D121-H151 PolarHBondContact OD2-ND1 3.37Å; P122-H151 CarbonylContact C-O 3.55Å; A123-H151 PolarHBondContact N-O 3.17Å; H146-H151 AromaticContact CE1-CD2 3.16Å; H146-H151 PolarHBondContact CE1-CD2 2.91Å; H146-H151 AromaticContact CE1-CE1 3.54Å; H146-H151 AromaticContact CE1-CG 3.29Å; H146-H151 AromaticContact CE1-ND1 3.51Å; H146-H151 AromaticContact CE1-NE2 3.36Å; H146-H151 PolarHBondContact CE1-NE2 2.93Å; H146-H151 AromaticContact ND1-CG 3.84Å; H146-H151 AromaticContact ND1-ND1 3.96Å; H146-H151 AromaticContact NE2-CD2 3.5Å; H146-H151 AromaticContact NE2-CG 3.94Å; H146-H151 AromaticContact NE2-NE2 3.93Å; H148-H151 PolarHBondContact O-N 2.69Å; H148-H151 VanDerWaalsContact O-N 3.07Å; W149-H151 PolarHBondContact O-N 3.11Å; H151-D227 IonicContact CE1-OD1 2.9Å; H151-D227 PolarHBondContact CE1-OD1 2.81Å; H151-D227 IonicContact NE2-OD1 3.22Å; H151-D227 PolarHBondContact NE2-OD1 3.06Å; H151-H265 AromaticContact CE1-NE2 3.98Å; H151-H265 AromaticContact NE2-NE2 3.35Å; H151-H265 PolarHBondContact NE2-NE2 3.04Å
152	S	97.9	Very high	97.6	Very high	1 Å²	1	31 Å²	31	1%	0.007	15%	0.151	C	C	.	.	H	α-helix	trans	-95.2	-2.4	-173.3	69.4	0	0	0	0	114.9	C144 K147 H148 G154 N155	C144-S152 WeakPolarHBondContact SG-CB 2.94Å; K147-S152 PolarHBondContact O-OG 3.26Å; H148-S152 PolarHBondContact O-N 3.21Å; H148-S152 PolarHBondContact O-OG 3.42Å; S152-G154 VanDerWaalsContact C-N 3.27Å; S152-G154 PolarHBondContact O-N 3.32Å; S152-N155 WeakPolarHBondContact O-CB 3.22Å; S152-N155 VanDerWaalsContact O-CG 3.24Å; S152-N155 PolarHBondContact O-N 2.88Å; S152-N155 VanDerWaalsContact O-N 3.15Å; S152-N155 PolarHBondContact O-OD1 3.21Å
153	G	96.3	Very high	97.4	Very high	9 Å²	9	36 Å²	36	9%	0.093	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.2	-168.4	0	0	0	0	0	115.5	Y67 W149	Y67-G153 VanDerWaalsContact OH-C 3.28Å; Y67-G153 PolarHBondContact OH-O 3.3Å; W149-G153 WeakPolarHBondContact O-CA 3.39Å; W149-G153 PolarHBondContact O-N 3.11Å
154	G	97.4	Very high	97.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-9.4	177.2	0	0	0	0	0	115.1	P122 A123 S152 K156 G157 L158	P122-G154 WeakPolarHBondContact O-CA 3.29Å; P122-G154 PolarHBondContact O-N 3.42Å; A123-G154 PolarHBondContact O-N 2.98Å; S152-G154 VanDerWaalsContact C-N 3.27Å; S152-G154 PolarHBondContact O-N 3.32Å; G154-K156 PolarHBondContact O-N 2.6Å; G154-G157 WeakPolarHBondContact O-CA 3.28Å; G154-G157 PolarHBondContact O-N 3.44Å; G154-L158 PolarHBondContact O-N 2.75Å
155	N	98.2	Very high	97.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-50.7	-53.8	-173.8	-67	2.6	0	0	0	113	P122 C144 S152 G157 K159 V167 P176	P122-N155 WeakPolarHBondContact CG-OD1 3.39Å; C144-N155 PolarHBondContact SG-ND2 3.07Å; C144-N155 VanDerWaalsContact SG-ND2 3.42Å; S152-N155 WeakPolarHBondContact O-CB 3.22Å; S152-N155 VanDerWaalsContact O-CG 3.24Å; S152-N155 PolarHBondContact O-N 2.88Å; S152-N155 VanDerWaalsContact O-N 3.15Å; S152-N155 PolarHBondContact O-OD1 3.21Å; N155-G157 VanDerWaalsContact C-N 3.3Å; N155-G157 PolarHBondContact O-N 2.67Å; N155-K159 VanDerWaalsContact O-CB 3.29Å; N155-K159 WeakPolarHBondContact O-CB 3.32Å; N155-K159 PolarHBondContact O-N 3.31Å; N155-V167 HydrophobicContact CB-CG1 4.37Å; N155-P176 WeakPolarHBondContact CB-O 3.42Å; N155-P176 PolarHBondContact ND2-O 2.9Å
156	K	96.9	Very high	97.1	Very high	138 Å²	138	42.8 Å²	42.8	60%	0.6	22%	0.222	S	C	*	.	H	α-helix	trans	-66.6	-32.2	179	-68.8	-175.8	177.5	179.6	0	112.6	G154 K160 P176	G154-K156 PolarHBondContact O-N 2.6Å; K156-K160 WeakPolarHBondContact O-CB 3.48Å; K156-K160 PolarHBondContact O-N 3.11Å; K156-P176 HydrophobicContact CD-CB 4.42Å; K156-P176 HydrophobicContact CG-CB 4.34Å
157	G	96.7	Very high	97.1	Very high	30 Å²	30	42.8 Å²	42.8	31%	0.309	22%	0.222	S	C	.	.	H	α-helix	trans	-66.8	-53.4	178.8	0	0	0	0	0	111.1	G154 N155 K160 L161	G154-G157 WeakPolarHBondContact O-CA 3.28Å; G154-G157 PolarHBondContact O-N 3.44Å; N155-G157 VanDerWaalsContact C-N 3.3Å; N155-G157 PolarHBondContact O-N 2.67Å; G157-K160 WeakPolarHBondContact O-CB 3.32Å; G157-K160 PolarHBondContact O-N 3.31Å; G157-L161 PolarHBondContact O-N 3.48Å
158	L	97.9	Very high	97.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-43	177.7	-71.8	175.8	0	0	0	112	V119 P122 P125 V128 L139 I142 G154 K160 L161 Y162	V119-L158 HydrophobicContact CG1-CD1 4.21Å; P122-L158 HydrophobicContact CB-CD1 3.39Å; P122-L158 HydrophobicContact CG-CD1 3.82Å; P125-L158 HydrophobicContact CB-CD2 4.26Å; P125-L158 HydrophobicContact CB-CG 3.94Å; V128-L158 HydrophobicContact CB-CD1 4.12Å; V128-L158 HydrophobicContact CB-CD2 4.44Å; V128-L158 HydrophobicContact CG1-CD1 3.66Å; V128-L158 HydrophobicContact CG1-CD2 4.21Å; L139-L158 HydrophobicContact CD2-CB 4.13Å; L139-L158 HydrophobicContact CD2-CD1 4.24Å; I142-L158 HydrophobicContact CD1-CB 3.84Å; I142-L158 HydrophobicContact CD1-CD1 4.14Å; G154-L158 PolarHBondContact O-N 2.75Å; L158-K160 PolarHBondContact O-N 2.86Å; L158-L161 CarbonylContact O-C 3.51Å; L158-L161 WeakPolarHBondContact O-CA 3.4Å; L158-L161 WeakPolarHBondContact O-CB 3.11Å; L158-L161 PolarHBondContact O-N 3.41Å; L158-Y162 HydrophobicContact CD2-CD2 4.47Å; L158-Y162 HydrophobicContact CD2-CE2 4.27Å; L158-Y162 WeakPolarHBondContact O-CD2 3.42Å; L158-Y162 PolarHBondContact O-N 2.98Å
159	K	96.4	Very high	97.2	Very high	55 Å²	55	41.9 Å²	41.9	24%	0.239	22%	0.218	C	C	.	.	H	α-helix	trans	-59.3	-31.6	176.1	-176.6	170.4	-176.9	62.6	0	113.1	N155 L161 Y162 S163 C165 V167 T179	N155-K159 VanDerWaalsContact O-CB 3.29Å; N155-K159 WeakPolarHBondContact O-CB 3.32Å; N155-K159 PolarHBondContact O-N 3.31Å; K159-L161 VanDerWaalsContact C-N 3.35Å; K159-Y162 CarbonylContact O-C 3.57Å; K159-S163 PolarHBondContact NZ-O 3.3Å; K159-S163 WeakPolarHBondContact O-CA 3.48Å; K159-S163 PolarHBondContact O-N 3.2Å; K159-C165 PolarHBondContact NZ-O 2.71Å; K159-V167 HydrophobicContact CB-CG2 4.36Å; K159-V167 HydrophobicContact CD-CG2 4.02Å; K159-T179 HydrophobicContact CD-CG2 4.1Å
160	K	96.8	Very high	97.3	Very high	183 Å²	183	40.7 Å²	40.7	80%	0.796	21%	0.214	S	C	*	.	H	α-helix	trans	-68.6	-35.8	175	-177	178.9	175.8	-175.5	0	111.8	K156 G157 L158	K156-K160 WeakPolarHBondContact O-CB 3.48Å; K156-K160 PolarHBondContact O-N 3.11Å; G157-K160 WeakPolarHBondContact O-CB 3.32Å; G157-K160 PolarHBondContact O-N 3.31Å; L158-K160 PolarHBondContact O-N 2.86Å
161	L	96.6	Very high	97.3	Very high	109 Å²	109	42.1 Å²	42.1	57%	0.571	23%	0.23	S	C	*	.	H	α-helix	trans	-75.7	-36.5	176.4	-61.2	174.7	0	0	0	111.3	Q129 G157 L158 K159	Q129-L161 HydrophobicContact CG-CD1 4.24Å; G157-L161 PolarHBondContact O-N 3.48Å; L158-L161 CarbonylContact O-C 3.51Å; L158-L161 WeakPolarHBondContact O-CA 3.4Å; L158-L161 WeakPolarHBondContact O-CB 3.11Å; L158-L161 PolarHBondContact O-N 3.41Å; K159-L161 VanDerWaalsContact C-N 3.35Å
162	Y	96.9	Very high	97.2	Very high	30 Å²	30	46 Å²	46	12%	0.118	25%	0.254	C	S	.	.	S	Bend	trans	-118.7	82.5	-177.6	-59.4	-72	0	0	0	110.2	Q129 L132 M138 L139 L158 K159 S164 C165	Q129-Y162 PolarHBondContact NE2-OH 3.31Å; Q129-Y162 PolarHBondContact OE1-OH 2.77Å; Q129-Y162 VanDerWaalsContact OE1-OH 3.14Å; L132-Y162 HydrophobicContact CD1-CE2 3.74Å; M138-Y162 HydrophobicContact CE-CD1 3.18Å; M138-Y162 HydrophobicContact CE-CE1 3.41Å; M138-Y162 VanDerWaalsContact CE-CE1 3.41Å; M138-Y162 HydrophobicContact CE-CG 4.29Å; L139-Y162 HydrophobicContact CB-CD1 4.28Å; L139-Y162 HydrophobicContact CB-CD2 4Å; L139-Y162 HydrophobicContact CB-CE1 4.37Å; L139-Y162 HydrophobicContact CB-CE2 4.11Å; L139-Y162 HydrophobicContact CB-CG 4.05Å; L139-Y162 HydrophobicContact CD2-CD2 3.58Å; L139-Y162 HydrophobicContact CD2-CE2 4.04Å; L139-Y162 HydrophobicContact CD2-CG 4.18Å; L139-Y162 HydrophobicContact CG-CD2 4.37Å; L158-Y162 HydrophobicContact CD2-CD2 4.47Å; L158-Y162 HydrophobicContact CD2-CE2 4.27Å; L158-Y162 WeakPolarHBondContact O-CD2 3.42Å; L158-Y162 PolarHBondContact O-N 2.98Å; K159-Y162 CarbonylContact O-C 3.57Å; Y162-S164 VanDerWaalsContact C-N 3.28Å; Y162-S164 PolarHBondContact O-N 3.06Å; Y162-C165 WeakPolarHBondContact O-CB 3.48Å; Y162-C165 PolarHBondContact O-N 2.82Å
163	S	94.9	Very high	97.1	Very high	104 Å²	104	46 Å²	46	73%	0.727	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.9	-170.9	61.5	0	0	0	0	114.2	K159 C165	K159-S163 PolarHBondContact NZ-O 3.3Å; K159-S163 WeakPolarHBondContact O-CA 3.48Å; K159-S163 PolarHBondContact O-N 3.2Å; S163-C165 VanDerWaalsContact C-N 3.28Å; S163-C165 PolarHBondContact O-N 3.22Å
164	S	94.4	Very high	97	Very high	76 Å²	76	51.4 Å²	51.4	53%	0.531	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.3	175.3	53.1	0	0	0	0	113.9	Y162 R166	Y162-S164 VanDerWaalsContact C-N 3.28Å; Y162-S164 PolarHBondContact O-N 3.06Å; S164-R166 PolarHBondContact O-N 2.91Å
165	C	97.1	Very high	97	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-61	127.1	-176.5	-179.2	0	0	0	0	111.4	E140 K159 Y162 S163	E140-C165 WeakPolarHBondContact O-CA 3.44Å; K159-C165 PolarHBondContact NZ-O 2.71Å; Y162-C165 WeakPolarHBondContact O-CB 3.48Å; Y162-C165 PolarHBondContact O-N 2.82Å; S163-C165 VanDerWaalsContact C-N 3.28Å; S163-C165 PolarHBondContact O-N 3.22Å
166	R	98.6	Very high	96.9	Very high	66 Å²	66	52.6 Å²	52.6	25%	0.249	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.1	178	-60.4	-179.5	-75.7	166.9	-7	109.3	E140 A141 I142 S164 Y168 H180 D189	E140-R166 PolarHBondContact O-N 2.89Å; A141-R166 CarbonylContact C-O 3.59Å; A141-R166 VanDerWaalsContact CA-O 3.26Å; A141-R166 WeakPolarHBondContact CA-O 3.43Å; I142-R166 PolarHBondContact N-O 3.41Å; S164-R166 PolarHBondContact O-N 2.91Å; R166-Y168 HydrophobicContact CB-CD2 4.2Å; R166-Y168 HydrophobicContact CB-CE2 3.46Å; R166-Y168 VanDerWaalsContact CB-CE2 3.46Å; R166-Y168 WeakPolarHBondContact CD-OH 3.4Å; R166-Y168 VanDerWaalsContact CZ-OH 3.22Å; R166-Y168 PolarHBondContact NE-OH 3.44Å; R166-Y168 PolarHBondContact NH1-OH 3.1Å; R166-H180 VanDerWaalsContact CG-CE1 3.42Å; R166-H180 WeakPolarHBondContact CG-CE1 2.98Å; R166-D189 PolarHBondContact NH2-O 3.23Å
167	V	98.8	Very high	96.9	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.3	175.8	-175.2	0	0	0	0	108.9	I142 N155 K159 I175 G177 T179 H180	I142-V167 HydrophobicContact CB-CG1 4.42Å; I142-V167 HydrophobicContact CB-CG2 4.31Å; I142-V167 HydrophobicContact CD1-CG2 4.15Å; I142-V167 HydrophobicContact CG2-CG1 4.3Å; N155-V167 HydrophobicContact CB-CG1 4.37Å; K159-V167 HydrophobicContact CB-CG2 4.36Å; K159-V167 HydrophobicContact CD-CG2 4.02Å; V167-I175 HydrophobicContact CG1-CG2 4.38Å; V167-G177 VanDerWaalsContact CB-O 3.26Å; V167-G177 WeakPolarHBondContact CB-O 3.45Å; V167-G177 WeakPolarHBondContact CG2-O 2.98Å; V167-T179 PolarHBondContact N-OG1 2.81Å; V167-T179 PolarHBondContact O-N 3.17Å; V167-T179 PolarHBondContact O-OG1 3.39Å; V167-H180 PolarHBondContact O-N 2.82Å
168	Y	98.9	Very high	96.9	Very high	15 Å²	15	47.8 Å²	47.8	6%	0.059	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	150.1	-178.8	-66.6	-83.6	0	0	0	112	A141 I142 L143 C144 R166 H180 L182 I188	A141-Y168 HydrophobicContact CB-CD2 4.06Å; A141-Y168 HydrophobicContact CB-CE2 3.77Å; I142-Y168 PolarHBondContact O-N 3.41Å; L143-Y168 HydrophobicContact CD2-CD2 3.74Å; L143-Y168 HydrophobicContact CD2-CG 3.99Å; C144-Y168 WeakPolarHBondContact CB-O 3.12Å; C144-Y168 PolarHBondContact N-O 3.39Å; R166-Y168 HydrophobicContact CB-CD2 4.2Å; R166-Y168 HydrophobicContact CB-CE2 3.46Å; R166-Y168 VanDerWaalsContact CB-CE2 3.46Å; R166-Y168 WeakPolarHBondContact CD-OH 3.4Å; R166-Y168 VanDerWaalsContact CZ-OH 3.22Å; R166-Y168 PolarHBondContact NE-OH 3.44Å; R166-Y168 PolarHBondContact NH1-OH 3.1Å; Y168-H180 WeakPolarHBondContact CA-O 3.25Å; Y168-H180 HydrophobicContact CD1-CB 3.41Å; Y168-H180 VanDerWaalsContact CD1-CB 3.41Å; Y168-H180 HydrophobicContact CE1-CB 3.31Å; Y168-H180 AromaticContact CE1-CG 3.89Å; Y168-H180 HydrophobicContact CG-CB 4.18Å; Y168-L182 HydrophobicContact CD1-CD1 3.83Å; Y168-L182 HydrophobicContact CD1-CD2 3.87Å; Y168-L182 HydrophobicContact CD1-CG 3.91Å; Y168-L182 HydrophobicContact CE1-CD2 4.36Å; Y168-L182 HydrophobicContact CG-CD1 4.18Å; Y168-I188 HydrophobicContact CD1-CD1 4.21Å; Y168-I188 HydrophobicContact CD1-CG1 4.31Å; Y168-I188 HydrophobicContact CD1-CG2 4.47Å; Y168-I188 HydrophobicContact CD2-CG2 4.19Å; Y168-I188 HydrophobicContact CE1-CG1 4.36Å; Y168-I188 HydrophobicContact CE1-CG2 4.03Å; Y168-I188 HydrophobicContact CE2-CG2 3.71Å; Y168-I188 HydrophobicContact CG-CD1 4.17Å
169	G	98.7	Very high	97	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.5	178.8	177.8	0	0	0	0	0	111.5	P181 L182 Y210	G169-P181 WeakPolarHBondContact O-CA 3.36Å; G169-L182 PolarHBondContact O-N 3.36Å; G169-Y210 WeakPolarHBondContact CA-OH 3.06Å
170	N	98.4	Very high	97.1	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.064	29%	0.287	C	S	.	.			trans	-83.4	132.1	179.9	-162.8	-73.2	0	0	0	111.4	T172 D173 G206 M208	N170-T172 PolarHBondContact O-N 2.84Å; N170-T172 WeakPolarHBondContact OD1-CA 3.29Å; N170-T172 WeakPolarHBondContact OD1-CB 3.35Å; N170-T172 PolarHBondContact OD1-N 2.89Å; N170-T172 PolarHBondContact OD1-OG1 2.93Å; N170-D173 PolarHBondContact O-N 3.33Å; N170-G206 WeakPolarHBondContact CB-O 3.5Å; N170-M208 HydrophobicContact CB-CG 3.82Å; N170-M208 HydrophobicContact CB-SD 4.05Å
171	A	97.4	Very high	97.1	Very high	55 Å²	55	46.5 Å²	46.5	46%	0.455	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-61.8	-31.9	178.1	0	0	0	0	0	113	D173 N174 L178 P181	A171-D173 PolarHBondContact O-N 2.63Å; A171-N174 PolarHBondContact O-N 2.88Å; A171-L178 HydrophobicContact CB-CD2 4.27Å; A171-P181 HydrophobicContact CB-CB 4.02Å
172	T	96.6	Very high	97.2	Very high	84 Å²	84	41.9 Å²	41.9	52%	0.515	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-63.2	-27.2	-179.5	-45.1	0	0	0	0	111.9	N170 N174 V205	N170-T172 PolarHBondContact O-N 2.84Å; N170-T172 WeakPolarHBondContact OD1-CA 3.29Å; N170-T172 WeakPolarHBondContact OD1-CB 3.35Å; N170-T172 PolarHBondContact OD1-N 2.89Å; N170-T172 PolarHBondContact OD1-OG1 2.93Å; T172-N174 VanDerWaalsContact C-N 3.33Å; T172-N174 PolarHBondContact O-ND2 3.44Å; T172-V205 HydrophobicContact CG2-CG2 3.97Å
173	D	95.3	Very high	97.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-85.1	-2	178.2	-132.1	12.5	0	0	0	113.7	H146 K147 N170 A171 I175 T204	H146-D173 VanDerWaalsContact CA-OD2 3.27Å; H146-D173 WeakPolarHBondContact CA-OD2 3.46Å; H146-D173 VanDerWaalsContact CB-OD2 3.27Å; H146-D173 WeakPolarHBondContact CB-OD2 3.25Å; K147-D173 HydrophobicContact CB-CB 4.06Å; K147-D173 WeakPolarHBondContact CB-O 3.5Å; K147-D173 VanDerWaalsContact CD-O 3.26Å; K147-D173 WeakPolarHBondContact CD-O 3.38Å; K147-D173 VanDerWaalsContact CD-OD1 3.28Å; K147-D173 WeakPolarHBondContact CD-OD1 3.49Å; K147-D173 WeakPolarHBondContact CE-OD1 3.36Å; K147-D173 HydrophobicContact CG-CB 4.5Å; K147-D173 WeakPolarHBondContact CG-OD1 3.21Å; K147-D173 PolarHBondContact N-OD2 3.41Å; K147-D173 IonicContact NZ-OD1 3.58Å; K147-D173 PolarHBondContact NZ-OD1 2.78Å; N170-D173 PolarHBondContact O-N 3.33Å; A171-D173 PolarHBondContact O-N 2.63Å; D173-I175 VanDerWaalsContact C-N 3.29Å; D173-I175 HydrophobicContact CB-CD1 3.9Å; D173-I175 HydrophobicContact CB-CG1 4.28Å; D173-I175 PolarHBondContact O-N 2.9Å; D173-T204 WeakPolarHBondContact OD1-CB 3.38Å; D173-T204 PolarHBondContact OD1-OG1 2.88Å; D173-T204 WeakPolarHBondContact OD2-CB 3.4Å; D173-T204 PolarHBondContact OD2-OG1 3.04Å
174	N	94.6	Very high	97.5	Very high	123 Å²	123	42.9 Å²	42.9	66%	0.658	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	42.9	-178.4	-56	-82.7	0	0	0	113.2	A171 T172 P176	A171-N174 PolarHBondContact O-N 2.88Å; T172-N174 VanDerWaalsContact C-N 3.33Å; T172-N174 PolarHBondContact O-ND2 3.44Å; N174-P176 WeakPolarHBondContact O-CD 3.37Å
175	I	97.2	Very high	97.7	Very high	8 Å²	8	45.3 Å²	45.3	4%	0.041	25%	0.254	C	S	.	.			trans	-52.4	123	-177.9	-60.7	-59.7	0	0	0	111.2	C144 K147 V167 D173 G177 L178	C144-I175 HydrophobicContact CB-CD1 4.45Å; C144-I175 HydrophobicContact CB-CG2 3.76Å; K147-I175 HydrophobicContact CB-CD1 4.15Å; V167-I175 HydrophobicContact CG1-CG2 4.38Å; D173-I175 VanDerWaalsContact C-N 3.29Å; D173-I175 HydrophobicContact CB-CD1 3.9Å; D173-I175 HydrophobicContact CB-CG1 4.28Å; D173-I175 PolarHBondContact O-N 2.9Å; I175-G177 PolarHBondContact O-N 3.24Å; I175-L178 HydrophobicContact CB-CB 4.1Å; I175-L178 HydrophobicContact CB-CD1 4.24Å; I175-L178 HydrophobicContact CG2-CB 4.4Å; I175-L178 HydrophobicContact CG2-CD1 4.43Å; I175-L178 VanDerWaalsContact O-CB 3.31Å; I175-L178 WeakPolarHBondContact O-CB 3.34Å; I175-L178 PolarHBondContact O-N 3.17Å
176	P	95.3	Very high	97.8	Very high	17 Å²	17	48 Å²	48	11%	0.11	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	122.9	176.1	-28	34.8	0	0	0	112.6	W149 N155 K156 N174 L178	W149-P176 HydrophobicContact CH2-CG 4.15Å; W149-P176 HydrophobicContact CZ3-CB 4.43Å; W149-P176 HydrophobicContact CZ3-CG 3.96Å; N155-P176 WeakPolarHBondContact CB-O 3.42Å; N155-P176 PolarHBondContact ND2-O 2.9Å; K156-P176 HydrophobicContact CD-CB 4.42Å; K156-P176 HydrophobicContact CG-CB 4.34Å; N174-P176 WeakPolarHBondContact O-CD 3.37Å; P176-L178 VanDerWaalsContact C-N 3.28Å; P176-L178 PolarHBondContact O-N 2.97Å
177	G	96.6	Very high	97.8	Very high	20 Å²	20	49.1 Å²	49.1	21%	0.206	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	11.4	176.5	0	0	0	0	0	114.4	V167 I175 T179	V167-G177 VanDerWaalsContact CB-O 3.26Å; V167-G177 WeakPolarHBondContact CB-O 3.45Å; V167-G177 WeakPolarHBondContact CG2-O 2.98Å; I175-G177 PolarHBondContact O-N 3.24Å; G177-T179 PolarHBondContact O-N 3.34Å
178	L	98.4	Very high	97.8	Very high	47 Å²	47	49.3 Å²	49.3	25%	0.246	29%	0.287	C	S	.	.			trans	-50.6	135.2	175.4	-171.7	66.2	0	0	0	111.4	A171 I175 P176 P181	A171-L178 HydrophobicContact CB-CD2 4.27Å; I175-L178 HydrophobicContact CB-CB 4.1Å; I175-L178 HydrophobicContact CB-CD1 4.24Å; I175-L178 HydrophobicContact CG2-CB 4.4Å; I175-L178 HydrophobicContact CG2-CD1 4.43Å; I175-L178 VanDerWaalsContact O-CB 3.31Å; I175-L178 WeakPolarHBondContact O-CB 3.34Å; I175-L178 PolarHBondContact O-N 3.17Å; P176-L178 VanDerWaalsContact C-N 3.28Å; P176-L178 PolarHBondContact O-N 2.97Å; L178-P181 HydrophobicContact CD2-CB 4.14Å
179	T	98.4	Very high	97.7	Very high	56 Å²	56	52.7 Å²	52.7	34%	0.344	31%	0.306	S	S	.	.			trans	-130.2	-29.6	176.6	46.2	0	0	0	0	112.4	K159 V167 G177	K159-T179 HydrophobicContact CD-CG2 4.1Å; V167-T179 PolarHBondContact N-OG1 2.81Å; V167-T179 PolarHBondContact O-N 3.17Å; V167-T179 PolarHBondContact O-OG1 3.39Å; G177-T179 PolarHBondContact O-N 3.34Å
180	H	98.6	Very high	97.7	Very high	73 Å²	73	52.9 Å²	52.9	34%	0.338	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	85.1	-176.8	-62.9	72.2	0	0	0	107.6	R166 V167 Y168	R166-H180 VanDerWaalsContact CG-CE1 3.42Å; R166-H180 WeakPolarHBondContact CG-CE1 2.98Å; V167-H180 PolarHBondContact O-N 2.82Å; Y168-H180 WeakPolarHBondContact CA-O 3.25Å; Y168-H180 HydrophobicContact CD1-CB 3.41Å; Y168-H180 VanDerWaalsContact CD1-CB 3.41Å; Y168-H180 HydrophobicContact CE1-CB 3.31Å; Y168-H180 AromaticContact CE1-CG 3.89Å; Y168-H180 HydrophobicContact CG-CB 4.18Å
181	P	98.6	Very high	97.5	Very high	82 Å²	82	54.7 Å²	54.7	53%	0.532	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	142.2	178.1	28.8	-34.5	0	0	0	110.3	G169 A171 L178	G169-P181 WeakPolarHBondContact O-CA 3.36Å; A171-P181 HydrophobicContact CB-CB 4.02Å; L178-P181 HydrophobicContact CD2-CB 4.14Å
182	L	98.6	Very high	97.4	Very high	12 Å²	12	56.5 Å²	56.5	6%	0.063	32%	0.324	C	S	.	.			trans	-119.6	154.8	179.1	-63.3	174.1	0	0	0	111.7	Y168 G169 D186 I188 A197 M208 Y210	Y168-L182 HydrophobicContact CD1-CD1 3.83Å; Y168-L182 HydrophobicContact CD1-CD2 3.87Å; Y168-L182 HydrophobicContact CD1-CG 3.91Å; Y168-L182 HydrophobicContact CE1-CD2 4.36Å; Y168-L182 HydrophobicContact CG-CD1 4.18Å; G169-L182 PolarHBondContact O-N 3.36Å; L182-D186 HydrophobicContact CD2-CB 3.82Å; L182-I188 HydrophobicContact CD1-CD1 3.47Å; L182-I188 VanDerWaalsContact CD1-CD1 3.47Å; L182-I188 HydrophobicContact CD1-CG1 4.07Å; L182-I188 HydrophobicContact CD2-CG1 4.33Å; L182-A197 HydrophobicContact CB-CB 4.47Å; L182-A197 HydrophobicContact CD1-CB 3.79Å; L182-M208 HydrophobicContact CB-CE 4.3Å; L182-Y210 HydrophobicContact CD1-CE1 3.93Å
183	T	98.4	Very high	97.5	Very high	86 Å²	86	52.5 Å²	52.5	53%	0.528	30%	0.299	S	S	.	.			trans	-120.1	177.8	170.8	64.2	0	0	0	0	110.5	K185 D186	T183-K185 PolarHBondContact O-N 3.3Å; T183-D186 WeakPolarHBondContact CA-OD2 3.43Å; T183-D186 PolarHBondContact N-OD2 3.07Å; T183-D186 PolarHBondContact O-N 2.94Å; T183-D186 PolarHBondContact OG1-OD2 3.29Å
184	D	98.6	Very high	97.6	Very high	68 Å²	68	55.8 Å²	55.8	36%	0.364	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	133.2	-179	-171.8	44.4	0	0	0	111.6	D186 F199	D184-D186 VanDerWaalsContact C-N 3.26Å; D184-D186 PolarHBondContact O-N 3.49Å; D184-F199 HydrophobicContact CB-CB 3.68Å; D184-F199 PolarHBondContact OD1-N 3.46Å
185	K	98.4	Very high	97.8	Very high	127 Å²	127	50.1 Å²	50.1	55%	0.552	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	9.2	176.9	-58.3	163.4	-175.3	166.6	0	115.9	T183 A197 L198	T183-K185 PolarHBondContact O-N 3.3Å; K185-A197 WeakPolarHBondContact CA-O 3.46Å; K185-A197 PolarHBondContact N-O 3Å; K185-L198 HydrophobicContact CG-CD2 4.31Å
186	D	98.8	Very high	97.9	Very high	58 Å²	58	53.7 Å²	53.7	31%	0.31	30%	0.299	S	S	.	.			trans	-60.7	147.8	171.4	-76.5	-26.1	0	0	0	111.6	L182 T183 D184 A197	L182-D186 HydrophobicContact CD2-CB 3.82Å; T183-D186 WeakPolarHBondContact CA-OD2 3.43Å; T183-D186 PolarHBondContact N-OD2 3.07Å; T183-D186 PolarHBondContact O-N 2.94Å; T183-D186 PolarHBondContact OG1-OD2 3.29Å; D184-D186 VanDerWaalsContact C-N 3.26Å; D184-D186 PolarHBondContact O-N 3.49Å; D186-A197 PolarHBondContact O-N 2.97Å
187	S	98.4	Very high	98.1	Very high	89 Å²	89	52.9 Å²	52.9	62%	0.622	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	146.3	179.7	-67.2	0	0	0	0	111.7	F195	S187-F195 CarbonylContact C-O 3.48Å; S187-F195 WeakPolarHBondContact CA-O 3.42Å
188	I	98.6	Very high	98.2	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	120.1	178.5	-44.9	163.4	0	0	0	108.2	L143 Y168 L182 V190 F195 Y210	L143-I188 HydrophobicContact CD2-CD1 3.5Å; L143-I188 VanDerWaalsContact CD2-CD1 3.5Å; L143-I188 HydrophobicContact CD2-CG2 4.41Å; Y168-I188 HydrophobicContact CD1-CD1 4.21Å; Y168-I188 HydrophobicContact CD1-CG1 4.31Å; Y168-I188 HydrophobicContact CD1-CG2 4.47Å; Y168-I188 HydrophobicContact CD2-CG2 4.19Å; Y168-I188 HydrophobicContact CE1-CG1 4.36Å; Y168-I188 HydrophobicContact CE1-CG2 4.03Å; Y168-I188 HydrophobicContact CE2-CG2 3.71Å; Y168-I188 HydrophobicContact CG-CD1 4.17Å; L182-I188 HydrophobicContact CD1-CD1 3.47Å; L182-I188 VanDerWaalsContact CD1-CD1 3.47Å; L182-I188 HydrophobicContact CD1-CG1 4.07Å; L182-I188 HydrophobicContact CD2-CG1 4.33Å; I188-V190 HydrophobicContact CG2-CG2 4.49Å; I188-F195 HydrophobicContact CB-CB 4.2Å; I188-F195 HydrophobicContact CD1-CB 4.46Å; I188-F195 PolarHBondContact N-O 3.34Å; I188-F195 PolarHBondContact O-N 3.43Å; I188-Y210 HydrophobicContact CD1-CD1 4.06Å; I188-Y210 HydrophobicContact CD1-CE1 4Å
189	D	98	Very high	98.2	Very high	86 Å²	86	53.7 Å²	53.7	46%	0.46	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130	-179.8	-54.5	-53.6	0	0	0	111	R166 M193 H194	R166-D189 PolarHBondContact NH2-O 3.23Å; D189-M193 WeakPolarHBondContact CA-O 3.5Å; D189-H194 IonicContact OD1-CE1 3.58Å; D189-H194 IonicContact OD1-CG 3.63Å; D189-H194 IonicContact OD1-ND1 2.69Å; D189-H194 PolarHBondContact OD1-ND1 3.33Å
190	V	97.5	Very high	98.2	Very high	5 Å²	5	51 Å²	51	3%	0.03	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	110.1	175.9	-176.1	0	0	0	0	108.6	V116 V118 E140 A141 I188 R192 M193	V116-V190 HydrophobicContact CG2-CG1 3.94Å; V118-V190 HydrophobicContact CG2-CB 3.7Å; V118-V190 HydrophobicContact CG2-CG1 3.77Å; V118-V190 HydrophobicContact CG2-CG2 3.67Å; E140-V190 HydrophobicContact CB-CG1 3.59Å; E140-V190 HydrophobicContact CG-CG1 4.09Å; A141-V190 HydrophobicContact CB-CG2 3.96Å; I188-V190 HydrophobicContact CG2-CG2 4.49Å; V190-R192 PolarHBondContact O-N 3.35Å; V190-M193 HydrophobicContact CB-CE 3.95Å; V190-M193 HydrophobicContact CG1-CE 3.71Å; V190-M193 PolarHBondContact N-O 3.5Å; V190-M193 VanDerWaalsContact O-CB 3.26Å; V190-M193 WeakPolarHBondContact O-CB 3.14Å; V190-M193 VanDerWaalsContact O-CE 3.29Å; V190-M193 WeakPolarHBondContact O-CE 3.35Å; V190-M193 PolarHBondContact O-N 3.29Å
191	G	95.3	Very high	98.2	Very high	50 Å²	50	48.8 Å²	48.8	52%	0.515	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	-129.2	-171.3	0	0	0	0	0	110.7	M193	G191-M193 VanDerWaalsContact C-N 3.33Å
192	R	95.8	Very high	98.1	Very high	93 Å²	93	44.9 Å²	44.9	35%	0.351	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	1.8	172.9	-62.9	-179.4	-66.7	158.4	3.5	114.3	G92 I93 D111 V190 H194	G92-R192 PolarHBondContact O-NH2 3.21Å; G92-R192 VanDerWaalsContact O-NH2 3.07Å; I93-R192 HydrophobicContact CD1-CB 4.37Å; D111-R192 IonicContact OD1-CZ 3.27Å; D111-R192 VanDerWaalsContact OD1-CZ 3.27Å; D111-R192 IonicContact OD1-NE 2.95Å; D111-R192 PolarHBondContact OD1-NE 3.11Å; D111-R192 IonicContact OD1-NH2 2.72Å; D111-R192 PolarHBondContact OD1-NH2 3.35Å; D111-R192 WeakPolarHBondContact OD2-CB 3.42Å; D111-R192 WeakPolarHBondContact OD2-CG 3.49Å; D111-R192 PolarHBondContact OD2-N 3.44Å; D111-R192 IonicContact OD2-NE 3.4Å; D111-R192 PolarHBondContact OD2-NE 3.09Å; V190-R192 PolarHBondContact O-N 3.35Å; R192-H194 PolarHBondContact O-CD2 2.83Å; R192-H194 VanDerWaalsContact O-CD2 3.28Å
193	M	97.9	Very high	98.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	116.6	179.9	-55.8	172.7	-81.6	0	0	109.9	I93 V109 D111 V116 V118 D189 V190 G191 F195 L212	I93-M193 HydrophobicContact CD1-CG 3.75Å; I93-M193 HydrophobicContact CG2-CG 4.49Å; V109-M193 HydrophobicContact CB-SD 3.99Å; V109-M193 HydrophobicContact CG1-CG 4.35Å; V109-M193 HydrophobicContact CG1-SD 3.47Å; V109-M193 WeakPolarHBondContact CG1-SD 3.47Å; D111-M193 HydrophobicContact CB-CE 4.01Å; D111-M193 HydrophobicContact CB-CG 4.43Å; V116-M193 HydrophobicContact CG2-CE 4.07Å; V118-M193 HydrophobicContact CG2-CE 3.75Å; V118-M193 HydrophobicContact CG2-SD 4.15Å; D189-M193 WeakPolarHBondContact CA-O 3.5Å; V190-M193 HydrophobicContact CB-CE 3.95Å; V190-M193 HydrophobicContact CG1-CE 3.71Å; V190-M193 PolarHBondContact N-O 3.5Å; V190-M193 VanDerWaalsContact O-CB 3.26Å; V190-M193 WeakPolarHBondContact O-CB 3.14Å; V190-M193 VanDerWaalsContact O-CE 3.29Å; V190-M193 WeakPolarHBondContact O-CE 3.35Å; V190-M193 PolarHBondContact O-N 3.29Å; G191-M193 VanDerWaalsContact C-N 3.33Å; M193-F195 HydrophobicContact CB-CD2 4.16Å; M193-F195 HydrophobicContact CB-CE2 3.51Å; M193-F195 HydrophobicContact CB-CZ 4.26Å; M193-F195 HydrophobicContact CG-CE2 4.4Å; M193-F195 HydrophobicContact SD-CE2 4.29Å; M193-F195 HydrophobicContact SD-CZ 4.46Å; M193-L212 HydrophobicContact CB-CD1 3.91Å; M193-L212 HydrophobicContact CG-CD1 4.5Å
194	H	98.4	Very high	98.1	Very high	69 Å²	69	40.3 Å²	40.3	32%	0.319	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	103.4	178.4	-63.9	-76.8	0	0	0	109.5	D189 R192 D213 T216	D189-H194 IonicContact OD1-CE1 3.58Å; D189-H194 IonicContact OD1-CG 3.63Å; D189-H194 IonicContact OD1-ND1 2.69Å; D189-H194 PolarHBondContact OD1-ND1 3.33Å; R192-H194 PolarHBondContact O-CD2 2.83Å; R192-H194 VanDerWaalsContact O-CD2 3.28Å; H194-D213 PolarHBondContact O-N 2.94Å; H194-T216 HydrophobicContact CB-CG2 4.07Å; H194-T216 PolarHBondContact CD2-OG1 2.89Å
195	F	98.8	Very high	98	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.013	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144	178.2	-61.6	-97.4	0	0	0	111.1	V109 V118 L143 S187 I188 M193 L211 L212 F224	V109-F195 HydrophobicContact CB-CZ 4.35Å; V109-F195 HydrophobicContact CG1-CZ 4.19Å; V109-F195 HydrophobicContact CG2-CZ 4.38Å; V118-F195 HydrophobicContact CB-CE2 4.29Å; V118-F195 HydrophobicContact CB-CZ 4.31Å; V118-F195 HydrophobicContact CG1-CE2 4.29Å; V118-F195 HydrophobicContact CG1-CZ 4.23Å; V118-F195 HydrophobicContact CG2-CE2 4Å; L143-F195 HydrophobicContact CD1-CB 4.47Å; L143-F195 HydrophobicContact CD1-CD1 3.68Å; L143-F195 HydrophobicContact CD1-CD2 4.24Å; L143-F195 HydrophobicContact CD1-CE1 3.81Å; L143-F195 HydrophobicContact CD1-CE2 4.35Å; L143-F195 HydrophobicContact CD1-CG 3.89Å; L143-F195 HydrophobicContact CD1-CZ 4.16Å; S187-F195 CarbonylContact C-O 3.48Å; S187-F195 WeakPolarHBondContact CA-O 3.42Å; I188-F195 HydrophobicContact CB-CB 4.2Å; I188-F195 HydrophobicContact CD1-CB 4.46Å; I188-F195 PolarHBondContact N-O 3.34Å; I188-F195 PolarHBondContact O-N 3.43Å; M193-F195 HydrophobicContact CB-CD2 4.16Å; M193-F195 HydrophobicContact CB-CE2 3.51Å; M193-F195 HydrophobicContact CB-CZ 4.26Å; M193-F195 HydrophobicContact CG-CE2 4.4Å; M193-F195 HydrophobicContact SD-CE2 4.29Å; M193-F195 HydrophobicContact SD-CZ 4.46Å; F195-L211 CarbonylContact C-O 3.54Å; F195-L211 VanDerWaalsContact CA-O 3.3Å; F195-L211 WeakPolarHBondContact CA-O 3.34Å; F195-L212 HydrophobicContact CD1-CB 3.89Å; F195-L212 HydrophobicContact CD1-CD1 4.32Å; F195-L212 HydrophobicContact CD2-CD1 4.34Å; F195-L212 HydrophobicContact CE1-CB 3.78Å; F195-L212 HydrophobicContact CE1-CD1 4.13Å; F195-L212 HydrophobicContact CE1-CG 4.39Å; F195-L212 HydrophobicContact CE2-CD1 4.14Å; F195-L212 HydrophobicContact CG-CD1 4.43Å; F195-L212 HydrophobicContact CZ-CB 4.46Å; F195-L212 HydrophobicContact CZ-CD1 4.03Å; F195-F224 HydrophobicContact CE1-CD2 4.13Å; F195-F224 AromaticContact CE1-CE2 3.75Å; F195-F224 HydrophobicContact CE1-CE2 3.75Å
196	K	98.8	Very high	98	Very high	83 Å²	83	33.9 Å²	33.9	36%	0.361	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.7	164.3	-171.5	170.1	-175.5	174.8	0	109.4	L198 L211	K196-L198 HydrophobicContact CD-CD2 4.08Å; K196-L198 HydrophobicContact CG-CD2 3.97Å; K196-L211 PolarHBondContact N-O 3.17Å; K196-L211 PolarHBondContact O-N 2.95Å
197	A	98.8	Very high	98	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.5	174.2	0	0	0	0	0	109.2	L182 K185 D186 M208 Y210	L182-A197 HydrophobicContact CB-CB 4.47Å; L182-A197 HydrophobicContact CD1-CB 3.79Å; K185-A197 WeakPolarHBondContact CA-O 3.46Å; K185-A197 PolarHBondContact N-O 3Å; D186-A197 PolarHBondContact O-N 2.97Å; A197-M208 HydrophobicContact CB-CE 3.53Å; A197-Y210 HydrophobicContact CB-CD1 4.02Å; A197-Y210 HydrophobicContact CB-CE1 3.96Å
198	L	98.8	Very high	98	Very high	13 Å²	13	26.9 Å²	26.9	7%	0.068	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.6	178.5	-54.4	172.9	0	0	0	108.5	K185 K196 M208 I209 T251	K185-L198 HydrophobicContact CG-CD2 4.31Å; K196-L198 HydrophobicContact CD-CD2 4.08Å; K196-L198 HydrophobicContact CG-CD2 3.97Å; L198-M208 WeakPolarHBondContact O-CA 3.47Å; L198-I209 HydrophobicContact CB-CD1 4.25Å; L198-I209 HydrophobicContact CB-CG1 3.71Å; L198-I209 HydrophobicContact CD1-CD1 4.11Å; L198-I209 HydrophobicContact CD1-CG1 4.16Å; L198-I209 HydrophobicContact CG-CG1 4.39Å; L198-I209 PolarHBondContact N-O 3.21Å; L198-I209 PolarHBondContact O-N 3.06Å; L198-T251 HydrophobicContact CB-CG2 4.5Å; L198-T251 HydrophobicContact CD1-CG2 4.02Å
199	F	98.8	Very high	98	Very high	72 Å²	72	26.7 Å²	26.7	32%	0.316	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	120.4	-179.7	179.9	-128.2	0	0	0	110.4	D184 P201 V205 M208	D184-F199 HydrophobicContact CB-CB 3.68Å; D184-F199 PolarHBondContact OD1-N 3.46Å; F199-P201 HydrophobicContact CD1-CG 4.29Å; F199-P201 HydrophobicContact CE1-CB 4.35Å; F199-P201 HydrophobicContact CE1-CG 3.72Å; F199-P201 HydrophobicContact CE2-CB 4.21Å; F199-P201 HydrophobicContact CE2-CG 4.3Å; F199-P201 HydrophobicContact CZ-CB 3.83Å; F199-P201 HydrophobicContact CZ-CG 3.72Å; F199-V205 WeakPolarHBondContact CE2-O 3.5Å; F199-V205 WeakPolarHBondContact CZ-O 3.16Å; F199-M208 HydrophobicContact CB-CE 4.44Å; F199-M208 HydrophobicContact CB-SD 3.87Å; F199-M208 HydrophobicContact CD2-SD 3.67Å; F199-M208 HydrophobicContact CG-SD 4.24Å
200	T	98.6	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.			trans	-136.1	64.8	-170.7	60	0	0	0	0	112	H207 I209 L228 S248	T200-H207 CarbonylContact C-O 3.57Å; T200-H207 PolarHBondContact N-O 2.92Å; T200-H207 WeakPolarHBondContact O-CB 3.35Å; T200-H207 PolarHBondContact OG1-ND1 3.4Å; T200-H207 VanDerWaalsContact OG1-ND1 3.17Å; T200-H207 PolarHBondContact OG1-O 3.16Å; T200-I209 HydrophobicContact CG2-CD1 3.61Å; T200-I209 HydrophobicContact CG2-CG1 3.73Å; T200-I209 HydrophobicContact CG2-CG2 4.34Å; T200-L228 HydrophobicContact CG2-CD2 3.76Å; T200-S248 WeakPolarHBondContact CA-OG 3.43Å
201	P	98.4	Very high	98.1	Very high	25 Å²	25	23.6 Å²	23.6	16%	0.162	12%	0.124	C	C	.	.			trans	-60.4	149.8	179.3	28.4	-35.3	0	0	0	111.2	F199 T244 S248	F199-P201 HydrophobicContact CD1-CG 4.29Å; F199-P201 HydrophobicContact CE1-CB 4.35Å; F199-P201 HydrophobicContact CE1-CG 3.72Å; F199-P201 HydrophobicContact CE2-CB 4.21Å; F199-P201 HydrophobicContact CE2-CG 4.3Å; F199-P201 HydrophobicContact CZ-CB 3.83Å; F199-P201 HydrophobicContact CZ-CG 3.72Å; P201-T244 HydrophobicContact CB-CG2 3.73Å; P201-T244 HydrophobicContact CG-CG2 3.65Å; P201-S248 PolarHBondContact O-OG 3.39Å
202	G	96.9	Very high	98.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	156.7	-68.6	-178.7	0	0	0	0	0	111	T204 G240	G202-T204 PolarHBondContact N-O 2.91Å; G202-T204 VanDerWaalsContact N-O 3.08Å; G202-G240 WeakPolarHBondContact O-CA 3.25Å; G202-G240 PolarHBondContact O-N 3.36Å
203	H	97.8	Very high	98.4	Very high	3 Å²	3	18.6 Å²	18.6	1%	0.014	9%	0.093	C	C	.	.	S	Bend	trans	-63.8	-55.3	174.3	-176.1	70.2	0	0	0	111	H146 H148 D227 R236 F238 E239 M245	H146-H203 AromaticContact CD2-CD2 3.77Å; H146-H203 AromaticContact NE2-CD2 3.7Å; H146-H203 AromaticContact NE2-NE2 3.68Å; H148-H203 AromaticContact CE1-CD2 3.85Å; H148-H203 AromaticContact CE1-CE1 3.88Å; H148-H203 AromaticContact CE1-NE2 3.07Å; H148-H203 PolarHBondContact CE1-NE2 3.05Å; H148-H203 AromaticContact ND1-NE2 3.29Å; H148-H203 PolarHBondContact ND1-NE2 3.11Å; H203-D227 HydrophobicContact CB-CB 4.41Å; H203-D227 VanDerWaalsContact CD2-CB 3.46Å; H203-D227 WeakPolarHBondContact CD2-CB 3.4Å; H203-D227 IonicContact CE1-OD2 3.65Å; H203-D227 IonicContact NE2-OD2 3.38Å; H203-D227 PolarHBondContact NE2-OD2 2.9Å; H203-R236 WeakPolarHBondContact CA-O 3.44Å; H203-R236 PolarHBondContact ND1-O 3.19Å; H203-F238 AromaticContact CE1-CD2 3.27Å; H203-F238 WeakPolarHBondContact CE1-CD2 3.37Å; H203-F238 AromaticContact CE1-CE2 3.32Å; H203-F238 WeakPolarHBondContact CE1-CE2 3.28Å; H203-F238 AromaticContact ND1-CD2 3.65Å; H203-F238 AromaticContact NE2-CD2 3.77Å; H203-F238 AromaticContact NE2-CE2 3.94Å; H203-F238 WeakPolarHBondContact O-CB 2.98Å; H203-F238 PolarHBondContact O-N 3.04Å; H203-E239 PolarHBondContact O-N 3.47Å; H203-M245 HydrophobicContact CB-CE 4.42Å
204	T	98.3	Very high	98.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-119.4	166.2	164.1	68.6	0	0	0	0	110	H146 K147 D173 G202 G206 H207 E239	H146-T204 HydrophobicContact CB-CG2 4.08Å; H146-T204 WeakPolarHBondContact CB-OG1 3.46Å; K147-T204 HydrophobicContact CG-CG2 4.4Å; D173-T204 WeakPolarHBondContact OD1-CB 3.38Å; D173-T204 PolarHBondContact OD1-OG1 2.88Å; D173-T204 WeakPolarHBondContact OD2-CB 3.4Å; D173-T204 PolarHBondContact OD2-OG1 3.04Å; G202-T204 PolarHBondContact N-O 2.91Å; G202-T204 VanDerWaalsContact N-O 3.08Å; T204-G206 PolarHBondContact O-N 3.03Å; T204-H207 WeakPolarHBondContact OG1-CB 3.32Å; T204-H207 PolarHBondContact OG1-N 3.39Å; T204-E239 WeakPolarHBondContact CA-OE2 3.33Å
205	V	97.1	Very high	98	Very high	59 Å²	59	25 Å²	25	36%	0.358	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.5	177.2	-64	0	0	0	0	113.4	T172 F199 E239	T172-V205 HydrophobicContact CG2-CG2 3.97Å; F199-V205 WeakPolarHBondContact CE2-O 3.5Å; F199-V205 WeakPolarHBondContact CZ-O 3.16Å; V205-E239 HydrophobicContact CG1-CB 3.65Å; V205-E239 WeakPolarHBondContact CG1-OE2 3.1Å; V205-E239 WeakPolarHBondContact CG2-OE2 3.17Å; V205-E239 PolarHBondContact N-OE2 3.35Å
206	G	97.7	Very high	97.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	16.3	-174.5	0	0	0	0	0	113.7	N170 T204 M208	N170-G206 WeakPolarHBondContact CB-O 3.5Å; T204-G206 PolarHBondContact O-N 3.03Å; G206-M208 PolarHBondContact O-N 2.87Å
207	H	98.8	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.			trans	-61.9	135.6	-175.3	-168.5	-65.6	0	0	0	111.2	T145 H146 T200 T204 S225 D227	T145-H207 CarbonylContact O-C 3.58Å; T145-H207 WeakPolarHBondContact O-CA 3.35Å; H146-H207 HydrophobicContact CB-CB 4.32Å; H146-H207 AromaticContact CG-CD2 3.7Å; H146-H207 AromaticContact ND1-CD2 3.69Å; H146-H207 AromaticContact ND1-NE2 3.65Å; T200-H207 CarbonylContact C-O 3.57Å; T200-H207 PolarHBondContact N-O 2.92Å; T200-H207 WeakPolarHBondContact O-CB 3.35Å; T200-H207 PolarHBondContact OG1-ND1 3.4Å; T200-H207 VanDerWaalsContact OG1-ND1 3.17Å; T200-H207 PolarHBondContact OG1-O 3.16Å; T204-H207 WeakPolarHBondContact OG1-CB 3.32Å; T204-H207 PolarHBondContact OG1-N 3.39Å; H207-S225 PolarHBondContact CE1-O 3.17Å; H207-S225 VanDerWaalsContact CE1-O 3.25Å; H207-D227 PolarHBondContact NE2-N 2.8Å
208	M	98.8	Very high	97.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.9	175.5	-58.6	-71	-65.3	0	0	109.7	T145 N170 L182 A197 L198 F199 G206 Y210	T145-M208 WeakPolarHBondContact CA-O 3.31Å; T145-M208 VanDerWaalsContact CB-O 3.25Å; T145-M208 WeakPolarHBondContact CB-O 3.31Å; T145-M208 PolarHBondContact O-N 3.17Å; N170-M208 HydrophobicContact CB-CG 3.82Å; N170-M208 HydrophobicContact CB-SD 4.05Å; L182-M208 HydrophobicContact CB-CE 4.3Å; A197-M208 HydrophobicContact CB-CE 3.53Å; L198-M208 WeakPolarHBondContact O-CA 3.47Å; F199-M208 HydrophobicContact CB-CE 4.44Å; F199-M208 HydrophobicContact CB-SD 3.87Å; F199-M208 HydrophobicContact CD2-SD 3.67Å; F199-M208 HydrophobicContact CG-SD 4.24Å; G206-M208 PolarHBondContact O-N 2.87Å; M208-Y210 HydrophobicContact CB-CE2 4.37Å
209	I	98.9	Very high	96.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	152.4	163.9	64.4	-176.4	0	0	0	109.2	L198 T200 L223 F224 S225 L228 V252	L198-I209 HydrophobicContact CB-CD1 4.25Å; L198-I209 HydrophobicContact CB-CG1 3.71Å; L198-I209 HydrophobicContact CD1-CD1 4.11Å; L198-I209 HydrophobicContact CD1-CG1 4.16Å; L198-I209 HydrophobicContact CG-CG1 4.39Å; L198-I209 PolarHBondContact N-O 3.21Å; L198-I209 PolarHBondContact O-N 3.06Å; T200-I209 HydrophobicContact CG2-CD1 3.61Å; T200-I209 HydrophobicContact CG2-CG1 3.73Å; T200-I209 HydrophobicContact CG2-CG2 4.34Å; I209-L223 HydrophobicContact CB-CD1 4.07Å; I209-L223 HydrophobicContact CD1-CD1 3.77Å; I209-L223 HydrophobicContact CD1-CD2 4.27Å; I209-L223 HydrophobicContact CG1-CD1 3.93Å; I209-F224 WeakPolarHBondContact CA-O 3.28Å; I209-F224 WeakPolarHBondContact CB-O 3.46Å; I209-S225 WeakPolarHBondContact CG2-O 3.43Å; I209-L228 HydrophobicContact CD1-CD2 4.02Å; I209-L228 HydrophobicContact CG2-CB 4.03Å; I209-L228 HydrophobicContact CG2-CD2 3.82Å; I209-V252 HydrophobicContact CD1-CG2 3.82Å
210	Y	98.9	Very high	96.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.9	-177	-58.2	-81.5	0	0	0	110.2	L143 C144 T145 G169 L182 I188 A197 M208 F224	L143-Y210 HydrophobicContact CB-CD1 4.21Å; L143-Y210 HydrophobicContact CB-CD2 3.79Å; L143-Y210 HydrophobicContact CB-CE1 4.11Å; L143-Y210 HydrophobicContact CB-CE2 3.69Å; L143-Y210 HydrophobicContact CB-CG 4.05Å; L143-Y210 HydrophobicContact CD1-CD1 3.93Å; L143-Y210 HydrophobicContact CD1-CD2 4.36Å; L143-Y210 HydrophobicContact CD1-CG 3.83Å; L143-Y210 HydrophobicContact CD2-CD1 4.39Å; L143-Y210 HydrophobicContact CD2-CE1 4.25Å; L143-Y210 HydrophobicContact CG-CD1 4.4Å; L143-Y210 HydrophobicContact CG-CG 4.46Å; C144-Y210 PolarHBondContact N-OH 3.22Å; C144-Y210 PolarHBondContact O-OH 2.96Å; T145-Y210 HydrophobicContact CG2-CD2 4.08Å; T145-Y210 HydrophobicContact CG2-CE2 3.99Å; G169-Y210 WeakPolarHBondContact CA-OH 3.06Å; L182-Y210 HydrophobicContact CD1-CE1 3.93Å; I188-Y210 HydrophobicContact CD1-CD1 4.06Å; I188-Y210 HydrophobicContact CD1-CE1 4Å; A197-Y210 HydrophobicContact CB-CD1 4.02Å; A197-Y210 HydrophobicContact CB-CE1 3.96Å; M208-Y210 HydrophobicContact CB-CE2 4.37Å; Y210-F224 PolarHBondContact N-O 2.76Å; Y210-F224 WeakPolarHBondContact O-CD2 3.4Å; Y210-F224 PolarHBondContact O-N 2.8Å
211	L	98.9	Very high	96.9	Very high	25 Å²	25	28.3 Å²	28.3	13%	0.131	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	110	177.2	-177.3	70.5	0	0	0	109.3	F195 K196 D213 L223 L255 T259	F195-L211 CarbonylContact C-O 3.54Å; F195-L211 VanDerWaalsContact CA-O 3.3Å; F195-L211 WeakPolarHBondContact CA-O 3.34Å; K196-L211 PolarHBondContact N-O 3.17Å; K196-L211 PolarHBondContact O-N 2.95Å; L211-D213 PolarHBondContact O-N 2.81Å; L211-L223 HydrophobicContact CB-CD1 4.21Å; L211-L223 HydrophobicContact CD1-CB 4.15Å; L211-L223 HydrophobicContact CD1-CD1 4.2Å; L211-L255 HydrophobicContact CD1-CD1 4.49Å; L211-L255 HydrophobicContact CD2-CD2 4.09Å; L211-T259 HydrophobicContact CD1-CG2 3.8Å
212	L	98.8	Very high	96.9	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	114.3	166.3	176.9	62.4	0	0	0	108.5	I93 I95 V109 M193 F195 G214 S221 S222 F224	I93-L212 HydrophobicContact CG2-CD2 4.17Å; I95-L212 HydrophobicContact CD1-CD2 4.42Å; V109-L212 HydrophobicContact CG1-CD2 4.13Å; M193-L212 HydrophobicContact CB-CD1 3.91Å; M193-L212 HydrophobicContact CG-CD1 4.5Å; F195-L212 HydrophobicContact CD1-CB 3.89Å; F195-L212 HydrophobicContact CD1-CD1 4.32Å; F195-L212 HydrophobicContact CD2-CD1 4.34Å; F195-L212 HydrophobicContact CE1-CB 3.78Å; F195-L212 HydrophobicContact CE1-CD1 4.13Å; F195-L212 HydrophobicContact CE1-CG 4.39Å; F195-L212 HydrophobicContact CE2-CD1 4.14Å; F195-L212 HydrophobicContact CG-CD1 4.43Å; F195-L212 HydrophobicContact CZ-CB 4.46Å; F195-L212 HydrophobicContact CZ-CD1 4.03Å; L212-G214 PolarHBondContact O-N 2.8Å; L212-G214 VanDerWaalsContact O-N 3.15Å; L212-S221 VanDerWaalsContact O-CA 3.3Å; L212-S221 WeakPolarHBondContact O-CA 3.35Å; L212-S221 VanDerWaalsContact O-CB 3.31Å; L212-S221 WeakPolarHBondContact O-CB 3.4Å; L212-S222 PolarHBondContact N-O 3.41Å; L212-S222 PolarHBondContact O-N 3.21Å; L212-F224 HydrophobicContact CB-CE2 4.26Å
213	D	97.8	Very high	97	Very high	36 Å²	36	27.1 Å²	27.1	19%	0.193	16%	0.155	C	C	.	.			trans	-71.4	106.8	-179.4	-168.7	-15.5	0	0	0	110	H194 L211 R215 T216	H194-D213 PolarHBondContact O-N 2.94Å; L211-D213 PolarHBondContact O-N 2.81Å; D213-R215 PolarHBondContact O-N 2.81Å; D213-R215 VanDerWaalsContact OD1-CB 3.24Å; D213-R215 WeakPolarHBondContact OD1-CB 3.43Å; D213-R215 WeakPolarHBondContact OD1-CG 3.18Å; D213-R215 IonicContact OD1-CZ 3.79Å; D213-R215 PolarHBondContact OD1-N 3.1Å; D213-R215 IonicContact OD1-NE 3.3Å; D213-R215 PolarHBondContact OD1-NE 2.92Å; D213-R215 IonicContact OD1-NH2 3.74Å; D213-R215 IonicContact OD2-CZ 3.45Å; D213-R215 IonicContact OD2-NE 3.5Å; D213-R215 PolarHBondContact OD2-NE 3.45Å; D213-R215 IonicContact OD2-NH2 2.74Å; D213-R215 PolarHBondContact OD2-NH2 3.34Å; D213-T216 HydrophobicContact CB-CG2 4.38Å; D213-T216 PolarHBondContact O-OG1 3.41Å
214	G	95.6	Very high	97	Very high	1 Å²	1	27 Å²	27	1%	0.01	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-70.9	-18.4	-179.6	0	0	0	0	0	113.4	L212 T216 I217 G218 A219 S221	L212-G214 PolarHBondContact O-N 2.8Å; L212-G214 VanDerWaalsContact O-N 3.15Å; G214-T216 VanDerWaalsContact C-N 3.25Å; G214-T216 PolarHBondContact O-N 3.09Å; G214-I217 CarbonylContact O-C 3.4Å; G214-I217 VanDerWaalsContact O-CG1 3.23Å; G214-I217 WeakPolarHBondContact O-CG1 3.23Å; G214-I217 PolarHBondContact O-N 3.26Å; G214-I217 VanDerWaalsContact O-N 3.11Å; G214-G218 PolarHBondContact O-N 3.36Å; G214-A219 CarbonylContact C-O 3.5Å; G214-A219 WeakPolarHBondContact CA-O 3.45Å; G214-A219 PolarHBondContact O-N 3.03Å; G214-S221 PolarHBondContact N-OG 2.9Å; G214-S221 VanDerWaalsContact N-OG 3.08Å
215	R	93.4	Very high	97.1	Very high	202 Å²	202	27 Å²	27	76%	0.762	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-65.9	-30.3	-177.4	-62.3	173.7	-66.7	-176.5	3.6	112.2	D213 I217 G218	D213-R215 PolarHBondContact O-N 2.81Å; D213-R215 VanDerWaalsContact OD1-CB 3.24Å; D213-R215 WeakPolarHBondContact OD1-CB 3.43Å; D213-R215 WeakPolarHBondContact OD1-CG 3.18Å; D213-R215 IonicContact OD1-CZ 3.79Å; D213-R215 PolarHBondContact OD1-N 3.1Å; D213-R215 IonicContact OD1-NE 3.3Å; D213-R215 PolarHBondContact OD1-NE 2.92Å; D213-R215 IonicContact OD1-NH2 3.74Å; D213-R215 IonicContact OD2-CZ 3.45Å; D213-R215 IonicContact OD2-NE 3.5Å; D213-R215 PolarHBondContact OD2-NE 3.45Å; D213-R215 IonicContact OD2-NH2 2.74Å; D213-R215 PolarHBondContact OD2-NH2 3.34Å; R215-I217 PolarHBondContact O-N 2.93Å; R215-G218 PolarHBondContact O-N 2.83Å
216	T	89.8	Confident	97.1	Very high	69 Å²	69	24.3 Å²	24.3	42%	0.423	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-68.3	-20.7	178.6	63.2	0	0	0	0	112.5	H194 D213 G214	H194-T216 HydrophobicContact CB-CG2 4.07Å; H194-T216 PolarHBondContact CD2-OG1 2.89Å; D213-T216 HydrophobicContact CB-CG2 4.38Å; D213-T216 PolarHBondContact O-OG1 3.41Å; G214-T216 VanDerWaalsContact C-N 3.25Å; G214-T216 PolarHBondContact O-N 3.09Å
217	I	91.7	Very high	97.2	Very high	23 Å²	23	24.8 Å²	24.8	12%	0.118	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-117.9	4.8	179.6	60.8	173.1	0	0	0	112.8	L90 N91 I93 G214 R215 A219	L90-I217 HydrophobicContact CB-CD1 4.38Å; N91-I217 WeakPolarHBondContact CB-O 3.42Å; N91-I217 PolarHBondContact ND2-O 3.28Å; I93-I217 HydrophobicContact CB-CD1 4.08Å; I93-I217 HydrophobicContact CG1-CD1 3.6Å; I93-I217 HydrophobicContact CG1-CG2 4.15Å; G214-I217 CarbonylContact O-C 3.4Å; G214-I217 VanDerWaalsContact O-CG1 3.23Å; G214-I217 WeakPolarHBondContact O-CG1 3.23Å; G214-I217 PolarHBondContact O-N 3.26Å; G214-I217 VanDerWaalsContact O-N 3.11Å; R215-I217 PolarHBondContact O-N 2.93Å; I217-A219 HydrophobicContact CD1-CB 4.19Å; I217-A219 HydrophobicContact CG1-CB 4.07Å
218	G	94.7	Very high	97.2	Very high	60 Å²	60	24.8 Å²	24.8	62%	0.619	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.6	33.6	-179.6	0	0	0	0	0	114.7	N91 G214 R215	N91-G218 VanDerWaalsContact ND2-C 3.29Å; N91-G218 PolarHBondContact ND2-O 3.42Å; G214-G218 PolarHBondContact O-N 3.36Å; R215-G218 PolarHBondContact O-N 2.83Å
219	A	96.2	Very high	97.2	Very high	18 Å²	18	24.8 Å²	24.8	15%	0.149	14%	0.141	C	C	.	.	S	Bend	trans	-131.4	170.8	179.7	0	0	0	0	0	111.3	L90 G214 I217	L90-A219 HydrophobicContact CB-CB 3.95Å; G214-A219 CarbonylContact C-O 3.5Å; G214-A219 WeakPolarHBondContact CA-O 3.45Å; G214-A219 PolarHBondContact O-N 3.03Å; I217-A219 HydrophobicContact CD1-CB 4.19Å; I217-A219 HydrophobicContact CG1-CB 4.07Å
220	P	97.6	Very high	97.2	Very high	48 Å²	48	25.2 Å²	25.2	31%	0.312	14%	0.143	S	C	.	.			trans	-60.1	148.9	168.5	-23.3	34.6	0	0	0	112	E258 L260	P220-E258 HydrophobicContact CB-CB 4.45Å; P220-E258 WeakPolarHBondContact CB-O 3.5Å; P220-L260 HydrophobicContact CB-CG 4.45Å
221	S	98.5	Very high	97.1	Very high	22 Å²	22	25.4 Å²	25.4	15%	0.154	14%	0.144	C	C	.	.			trans	-70.9	154.5	174.9	-62.8	0	0	0	0	111.2	L212 G214 T259 L260	L212-S221 VanDerWaalsContact O-CA 3.3Å; L212-S221 WeakPolarHBondContact O-CA 3.35Å; L212-S221 VanDerWaalsContact O-CB 3.31Å; L212-S221 WeakPolarHBondContact O-CB 3.4Å; G214-S221 PolarHBondContact N-OG 2.9Å; G214-S221 VanDerWaalsContact N-OG 3.08Å; S221-T259 CarbonylContact O-C 3.03Å; S221-T259 WeakPolarHBondContact O-CA 3.43Å; S221-L260 PolarHBondContact O-N 2.57Å
222	S	98.8	Very high	97.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.9	177.8	-76.9	0	0	0	0	111	I95 L212 L260 W262	I95-S222 WeakPolarHBondContact CD1-OG 3.15Å; L212-S222 PolarHBondContact N-O 3.41Å; L212-S222 PolarHBondContact O-N 3.21Å; S222-L260 CarbonylContact C-O 3.52Å; S222-W262 PolarHBondContact OG-NE1 2.99Å; S222-W262 VanDerWaalsContact OG-NE1 3.12Å
223	L	98.9	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.2	178.1	-177.7	71.8	0	0	0	111	I209 L211 V252 L255 T259 L260 L261 W262 I307	I209-L223 HydrophobicContact CB-CD1 4.07Å; I209-L223 HydrophobicContact CD1-CD1 3.77Å; I209-L223 HydrophobicContact CD1-CD2 4.27Å; I209-L223 HydrophobicContact CG1-CD1 3.93Å; L211-L223 HydrophobicContact CB-CD1 4.21Å; L211-L223 HydrophobicContact CD1-CB 4.15Å; L211-L223 HydrophobicContact CD1-CD1 4.2Å; L223-V252 HydrophobicContact CD2-CG1 4.11Å; L223-V252 HydrophobicContact CD2-CG2 4.22Å; L223-L255 HydrophobicContact CD1-CD1 4.15Å; L223-L255 HydrophobicContact CD2-CD1 3.77Å; L223-L255 HydrophobicContact CG-CD1 4.38Å; L223-T259 HydrophobicContact CB-CG2 3.94Å; L223-L260 PolarHBondContact N-O 3.14Å; L223-L261 HydrophobicContact CD2-CD1 4.01Å; L223-W262 WeakPolarHBondContact O-CB 3.39Å; L223-W262 PolarHBondContact O-N 2.57Å; L223-I307 HydrophobicContact CD2-CD1 4.25Å
224	F	98.9	Very high	97.1	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	104.1	168.6	-54.9	-84.8	0	0	0	108.9	I95 Y107 V109 V120 F195 I209 Y210 L212 W262	I95-F224 HydrophobicContact CD1-CZ 4.21Å; I95-F224 HydrophobicContact CG2-CE1 4.08Å; I95-F224 HydrophobicContact CG2-CZ 4.18Å; Y107-F224 HydrophobicContact CD1-CE1 4.32Å; Y107-F224 AromaticContact CD2-CD1 3.66Å; Y107-F224 HydrophobicContact CD2-CD1 3.66Å; Y107-F224 HydrophobicContact CD2-CE1 4.18Å; Y107-F224 HydrophobicContact CE2-CD1 4.36Å; Y107-F224 AromaticContact CG-CD1 3.75Å; Y107-F224 HydrophobicContact CG-CD1 3.75Å; Y107-F224 AromaticContact CG-CE1 3.77Å; Y107-F224 HydrophobicContact CG-CE1 3.77Å; V109-F224 HydrophobicContact CG2-CE1 4.04Å; V109-F224 HydrophobicContact CG2-CE2 4.12Å; V109-F224 HydrophobicContact CG2-CZ 3.46Å; V109-F224 VanDerWaalsContact CG2-CZ 3.46Å; V120-F224 HydrophobicContact CB-CD1 4.37Å; V120-F224 HydrophobicContact CB-CG 4.48Å; V120-F224 HydrophobicContact CG1-CB 3.98Å; V120-F224 HydrophobicContact CG1-CG 4.42Å; V120-F224 HydrophobicContact CG2-CB 4.24Å; V120-F224 HydrophobicContact CG2-CD1 3.89Å; V120-F224 HydrophobicContact CG2-CD2 4.17Å; V120-F224 HydrophobicContact CG2-CE1 4.32Å; V120-F224 HydrophobicContact CG2-CG 3.81Å; F195-F224 HydrophobicContact CE1-CD2 4.13Å; F195-F224 AromaticContact CE1-CE2 3.75Å; F195-F224 HydrophobicContact CE1-CE2 3.75Å; I209-F224 WeakPolarHBondContact CA-O 3.28Å; I209-F224 WeakPolarHBondContact CB-O 3.46Å; Y210-F224 PolarHBondContact N-O 2.76Å; Y210-F224 WeakPolarHBondContact O-CD2 3.4Å; Y210-F224 PolarHBondContact O-N 2.8Å; L212-F224 HydrophobicContact CB-CE2 4.26Å; F224-W262 WeakPolarHBondContact CA-O 3.45Å; F224-W262 HydrophobicContact CD1-CB 3.57Å; F224-W262 HydrophobicContact CD1-CG 4.05Å; F224-W262 HydrophobicContact CE1-CB 3.88Å; F224-W262 AromaticContact CE1-CD1 3.96Å; F224-W262 HydrophobicContact CE1-CD2 4.49Å; F224-W262 AromaticContact CE1-CG 3.85Å; F224-W262 HydrophobicContact CE1-CG 3.85Å; F224-W262 HydrophobicContact CG-CB 4.37Å
225	S	98.8	Very high	97.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-8.5	-165.4	58.3	0	0	0	0	114.6	H207 I209 D227 L228 V229 L261 W262 P263	H207-S225 PolarHBondContact CE1-O 3.17Å; H207-S225 VanDerWaalsContact CE1-O 3.25Å; I209-S225 WeakPolarHBondContact CG2-O 3.43Å; S225-D227 PolarHBondContact O-N 3.18Å; S225-L228 WeakPolarHBondContact O-CB 3.38Å; S225-L228 PolarHBondContact O-N 3.15Å; S225-V229 WeakPolarHBondContact CB-O 3.46Å; S225-V229 PolarHBondContact OG-O 2.87Å; S225-L261 WeakPolarHBondContact OG-CD1 3.34Å; S225-W262 PolarHBondContact N-O 3.12Å; S225-W262 VanDerWaalsContact N-O 3.08Å; S225-P263 WeakPolarHBondContact OG-CA 3.33Å
226	G	98.8	Very high	97.4	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.021	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.9	-123.3	-173.2	0	0	0	0	0	110.5	F230 G264	G226-F230 WeakPolarHBondContact O-CE1 3.43Å; G226-G264 WeakPolarHBondContact O-CA 3.25Å; G226-G264 PolarHBondContact O-N 3.34Å
227	D	98.8	Very high	97.7	Very high	10 Å²	10	14.7 Å²	14.7	5%	0.053	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	16.5	-177.3	-85.1	34.2	0	0	0	113.5	H146 H151 H203 H207 S225 F230 G235 H265	H146-D227 IonicContact CE1-OD1 3.2Å; H151-D227 IonicContact CE1-OD1 2.9Å; H151-D227 PolarHBondContact CE1-OD1 2.81Å; H151-D227 IonicContact NE2-OD1 3.22Å; H151-D227 PolarHBondContact NE2-OD1 3.06Å; H203-D227 HydrophobicContact CB-CB 4.41Å; H203-D227 VanDerWaalsContact CD2-CB 3.46Å; H203-D227 WeakPolarHBondContact CD2-CB 3.4Å; H203-D227 IonicContact CE1-OD2 3.65Å; H203-D227 IonicContact NE2-OD2 3.38Å; H203-D227 PolarHBondContact NE2-OD2 2.9Å; H207-D227 PolarHBondContact NE2-N 2.8Å; S225-D227 PolarHBondContact O-N 3.18Å; D227-F230 HydrophobicContact CB-CE1 4.39Å; D227-F230 HydrophobicContact CB-CZ 3.96Å; D227-G235 WeakPolarHBondContact O-CA 3.16Å; D227-G235 PolarHBondContact O-N 3.03Å; D227-H265 IonicContact OD1-CD2 3.36Å; D227-H265 PolarHBondContact OD1-CD2 2.76Å; D227-H265 IonicContact OD1-NE2 3.55Å; D227-H265 PolarHBondContact OD1-NE2 3.49Å; D227-H265 IonicContact OD2-CD2 3.77Å; D227-H265 IonicContact OD2-NE2 2.7Å; D227-H265 PolarHBondContact OD2-NE2 3.01Å
228	L	98.7	Very high	97.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-77.9	-63.5	173.6	-179	67.7	0	0	0	111.4	T200 I209 S225 C234 G235 M245 V252	T200-L228 HydrophobicContact CG2-CD2 3.76Å; I209-L228 HydrophobicContact CD1-CD2 4.02Å; I209-L228 HydrophobicContact CG2-CB 4.03Å; I209-L228 HydrophobicContact CG2-CD2 3.82Å; S225-L228 WeakPolarHBondContact O-CB 3.38Å; S225-L228 PolarHBondContact O-N 3.15Å; L228-C234 CarbonylContact O-C 3.51Å; L228-C234 VanDerWaalsContact O-CA 3.25Å; L228-C234 WeakPolarHBondContact O-CA 3.29Å; L228-C234 WeakPolarHBondContact O-CB 3.45Å; L228-G235 PolarHBondContact O-N 3.45Å; L228-M245 HydrophobicContact CD1-SD 3.49Å; L228-M245 WeakPolarHBondContact CD1-SD 3.27Å; L228-V252 HydrophobicContact CD2-CG2 3.61Å
229	V	98.6	Very high	97.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.4	-179.5	-177.5	0	0	0	0	109.3	S225 L249 V252 L261 L317	S225-V229 WeakPolarHBondContact CB-O 3.46Å; S225-V229 PolarHBondContact OG-O 2.87Å; V229-L249 HydrophobicContact CG2-CD2 3.51Å; V229-V252 HydrophobicContact CG2-CB 4.29Å; V229-V252 HydrophobicContact CG2-CG1 4.09Å; V229-V252 HydrophobicContact CG2-CG2 4.01Å; V229-L261 HydrophobicContact CG1-CD2 3.89Å; V229-L317 HydrophobicContact CG2-CD2 4.49Å
230	F	98.7	Very high	97.6	Very high	9 Å²	9	14.7 Å²	14.7	4%	0.039	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	168	171.6	-54.1	-59.6	0	0	0	109.3	G226 D227 S232 G233 P263 H265 Y267 N271 N314	G226-F230 WeakPolarHBondContact O-CE1 3.43Å; D227-F230 HydrophobicContact CB-CE1 4.39Å; D227-F230 HydrophobicContact CB-CZ 3.96Å; F230-S232 PolarHBondContact O-N 3.34Å; F230-G233 PolarHBondContact N-O 2.92Å; F230-G233 PolarHBondContact O-N 2.76Å; F230-P263 HydrophobicContact CB-CB 4.5Å; F230-P263 HydrophobicContact CD1-CB 3.96Å; F230-H265 HydrophobicContact CD1-CB 4.4Å; F230-H265 HydrophobicContact CE1-CB 4.11Å; F230-H265 AromaticContact CE1-CD2 3.75Å; F230-H265 AromaticContact CZ-CD2 4Å; F230-Y267 HydrophobicContact CD2-CD2 4.11Å; F230-Y267 HydrophobicContact CE1-CD2 4.49Å; F230-Y267 AromaticContact CE2-CD2 4Å; F230-Y267 HydrophobicContact CE2-CD2 4Å; F230-Y267 HydrophobicContact CE2-CE2 4.29Å; F230-Y267 HydrophobicContact CG-CD2 4.38Å; F230-Y267 HydrophobicContact CZ-CD2 4.2Å; F230-Y267 HydrophobicContact CZ-CE2 4.22Å; F230-N271 WeakPolarHBondContact CB-ND2 3.34Å; F230-N314 PolarHBondContact O-ND2 3.32Å; F230-N314 VanDerWaalsContact O-ND2 3.11Å
231	L	98.4	Very high	97.6	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.016	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	117.3	167.6	-167.9	167.3	0	0	0	109.7	G233 A268 N271 L272 K288 W291 V292 T302 E310 Y313	L231-G233 PolarHBondContact O-N 2.68Å; L231-G233 VanDerWaalsContact O-N 3.16Å; L231-A268 HydrophobicContact CB-CB 4.08Å; L231-A268 HydrophobicContact CD1-CB 3.89Å; L231-A268 HydrophobicContact CD2-CB 3.81Å; L231-A268 HydrophobicContact CG-CB 4.14Å; L231-N271 VanDerWaalsContact O-CB 3.25Å; L231-N271 WeakPolarHBondContact O-CB 3.21Å; L231-N271 PolarHBondContact O-ND2 3.03Å; L231-L272 HydrophobicContact CD2-CD1 3.9Å; L231-L272 HydrophobicContact CD2-CG 4.18Å; L231-K288 HydrophobicContact CD2-CG 4.29Å; L231-W291 HydrophobicContact CD1-CZ3 4.44Å; L231-V292 HydrophobicContact CD1-CG2 4.4Å; L231-V292 HydrophobicContact CD2-CG2 4.46Å; L231-T302 WeakPolarHBondContact CD1-O 3.48Å; L231-E310 WeakPolarHBondContact CA-OE1 3.44Å; L231-E310 WeakPolarHBondContact CG-OE1 3.04Å; L231-Y313 HydrophobicContact CD2-CE2 4.01Å; L231-Y313 HydrophobicContact CG-CE2 4.46Å
232	S	98.4	Very high	97.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	19.1	-175.9	-170.1	0	0	0	0	115.6	F230 L272 E310 N314	F230-S232 PolarHBondContact O-N 3.34Å; S232-L272 VanDerWaalsContact CB-CD2 3.5Å; S232-L272 WeakPolarHBondContact OG-CD2 3.39Å; S232-E310 PolarHBondContact N-OE2 3.4Å; S232-N314 VanDerWaalsContact C-CG 3.41Å; S232-N314 WeakPolarHBondContact CA-ND2 3.33Å
233	G	98.4	Very high	97.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	177.7	-177.4	0	0	0	0	0	114.8	F230 L231 N314	F230-G233 PolarHBondContact N-O 2.92Å; F230-G233 PolarHBondContact O-N 2.76Å; L231-G233 PolarHBondContact O-N 2.68Å; L231-G233 VanDerWaalsContact O-N 3.16Å; G233-N314 PolarHBondContact N-ND2 2.96Å; G233-N314 PolarHBondContact N-OD1 3.28Å; G233-N314 PolarHBondContact O-ND2 3.01Å
234	C	98.3	Very high	97.4	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.014	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	166	167.7	83.2	0	0	0	0	111.1	L228 L249 F316 R350	L228-C234 CarbonylContact O-C 3.51Å; L228-C234 VanDerWaalsContact O-CA 3.25Å; L228-C234 WeakPolarHBondContact O-CA 3.29Å; L228-C234 WeakPolarHBondContact O-CB 3.45Å; C234-L249 HydrophobicContact CB-CD2 4.26Å; C234-F316 HydrophobicContact CB-CB 3.91Å; C234-F316 HydrophobicContact CB-CD1 4.04Å; C234-F316 HydrophobicContact CB-CD2 4.16Å; C234-F316 HydrophobicContact CB-CG 3.76Å; C234-F316 WeakPolarHBondContact SG-CD1 3.49Å; C234-F316 WeakPolarHBondContact SG-CE1 3.48Å; C234-R350 PolarHBondContact O-NH1 3.48Å; C234-R350 PolarHBondContact SG-NH1 3.01Å
235	G	97.8	Very high	97.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	11%	0.114	C	C	.	.			trans	-57.1	153.2	171.2	0	0	0	0	0	113.9	D227 L228	D227-G235 WeakPolarHBondContact O-CA 3.16Å; D227-G235 PolarHBondContact O-N 3.03Å; L228-G235 PolarHBondContact O-N 3.45Å
236	R	96.8	Very high	97.4	Very high	82 Å²	82	20.8 Å²	20.8	31%	0.309	12%	0.115	S	C	.	.			trans	-67.7	143.8	161.3	-77	177.2	-72.2	-179.5	-6.8	109.6	M42 H203 F238 D354	M42-R236 PolarHBondContact O-NH1 3.19Å; H203-R236 WeakPolarHBondContact CA-O 3.44Å; H203-R236 PolarHBondContact ND1-O 3.19Å; R236-F238 HydrophobicContact CB-CD1 4.44Å; R236-F238 HydrophobicContact CB-CD2 4.41Å; R236-F238 HydrophobicContact CB-CE1 4.25Å; R236-F238 HydrophobicContact CB-CE2 4.23Å; R236-F238 HydrophobicContact CB-CZ 4.17Å; R236-F238 VanDerWaalsContact CZ-CZ 3.42Å; R236-F238 PolarHBondContact O-N 3.22Å; R236-F238 VanDerWaalsContact O-N 3.12Å; R236-D354 WeakPolarHBondContact CG-OD1 3.48Å
237	M	95.2	Very high	97.4	Very high	26 Å²	26	24.4 Å²	24.4	13%	0.128	14%	0.139	C	C	.	.			trans	-86.1	76.5	178.3	-57.6	-178.6	-71.7	0	0	109.8	A242 M245 R350	M237-A242 HydrophobicContact CE-CB 4.17Å; M237-A242 WeakPolarHBondContact SD-CA 3.48Å; M237-A242 HydrophobicContact SD-CB 4.12Å; M237-M245 HydrophobicContact CG-CB 3.97Å; M237-M245 HydrophobicContact CG-CE 3.75Å; M237-M245 HydrophobicContact CG-CG 4.08Å; M237-M245 HydrophobicContact SD-CB 3.66Å; M237-M245 HydrophobicContact SD-CG 4.11Å; M237-R350 HydrophobicContact CE-CB 3.91Å; M237-R350 HydrophobicContact CE-CG 3.7Å
238	F	92.6	Very high	97.4	Very high	25 Å²	25	24 Å²	24	11%	0.11	14%	0.137	C	C	.	.	S	Bend	trans	-73.1	-33.9	-177.3	-68.2	-58	0	0	0	112.9	M42 T45 F50 Y54 H148 H203 R236	M42-F238 HydrophobicContact CE-CE1 4.43Å; M42-F238 HydrophobicContact CE-CZ 4.4Å; T45-F238 HydrophobicContact CG2-CD1 3.64Å; T45-F238 HydrophobicContact CG2-CE1 4.1Å; F50-F238 HydrophobicContact CE1-CD1 4.01Å; F50-F238 AromaticContact CE2-CD1 3.89Å; F50-F238 HydrophobicContact CE2-CD1 3.89Å; F50-F238 AromaticContact CE2-CE1 3.63Å; F50-F238 HydrophobicContact CE2-CE1 3.63Å; F50-F238 AromaticContact CZ-CD1 3.19Å; F50-F238 HydrophobicContact CZ-CD1 3.19Å; F50-F238 AromaticContact CZ-CE1 3.44Å; F50-F238 HydrophobicContact CZ-CE1 3.44Å; F50-F238 VanDerWaalsContact CZ-CE1 3.44Å; F50-F238 HydrophobicContact CZ-CG 4.2Å; Y54-F238 HydrophobicContact CE1-CB 4.44Å; Y54-F238 HydrophobicContact CE2-CB 4.24Å; Y54-F238 HydrophobicContact CE2-CD2 4.3Å; Y54-F238 HydrophobicContact CE2-CG 4.18Å; H148-F238 AromaticContact CE1-CD2 3.66Å; H148-F238 AromaticContact CE1-CE2 3.84Å; H203-F238 AromaticContact CE1-CD2 3.27Å; H203-F238 WeakPolarHBondContact CE1-CD2 3.37Å; H203-F238 AromaticContact CE1-CE2 3.32Å; H203-F238 WeakPolarHBondContact CE1-CE2 3.28Å; H203-F238 AromaticContact ND1-CD2 3.65Å; H203-F238 AromaticContact NE2-CD2 3.77Å; H203-F238 AromaticContact NE2-CE2 3.94Å; H203-F238 WeakPolarHBondContact O-CB 2.98Å; H203-F238 PolarHBondContact O-N 3.04Å; R236-F238 HydrophobicContact CB-CD1 4.44Å; R236-F238 HydrophobicContact CB-CD2 4.41Å; R236-F238 HydrophobicContact CB-CE1 4.25Å; R236-F238 HydrophobicContact CB-CE2 4.23Å; R236-F238 HydrophobicContact CB-CZ 4.17Å; R236-F238 VanDerWaalsContact CZ-CZ 3.42Å; R236-F238 PolarHBondContact O-N 3.22Å; R236-F238 VanDerWaalsContact O-N 3.12Å
239	E	95.1	Very high	97.4	Very high	55 Å²	55	24.2 Å²	24.2	26%	0.257	14%	0.138	S	C	.	.	S	Bend	trans	-131.4	-5.6	-173.8	-52	-178.7	170.4	0	0	114.3	Y54 K147 H203 T204 V205	Y54-E239 HydrophobicContact CE1-CG 3.87Å; Y54-E239 WeakPolarHBondContact CE1-OE1 3.4Å; Y54-E239 VanDerWaalsContact CZ-OE1 3.31Å; Y54-E239 VanDerWaalsContact OH-CD 3.3Å; Y54-E239 PolarHBondContact OH-OE1 2.7Å; K147-E239 WeakPolarHBondContact CE-OE1 3.37Å; K147-E239 IonicContact NZ-OE1 2.68Å; K147-E239 PolarHBondContact NZ-OE1 3.11Å; K147-E239 IonicContact NZ-OE2 2.69Å; K147-E239 PolarHBondContact NZ-OE2 2.7Å; H203-E239 PolarHBondContact O-N 3.47Å; T204-E239 WeakPolarHBondContact CA-OE2 3.33Å; V205-E239 HydrophobicContact CG1-CB 3.65Å; V205-E239 WeakPolarHBondContact CG1-OE2 3.1Å; V205-E239 WeakPolarHBondContact CG2-OE2 3.17Å; V205-E239 PolarHBondContact N-OE2 3.35Å
240	G	94.4	Very high	97.4	Very high	22 Å²	22	27.1 Å²	27.1	23%	0.227	15%	0.154	C	C	.	.	S	Bend	trans	-109.9	167.4	174.6	0	0	0	0	0	113.4	G202	G202-G240 WeakPolarHBondContact O-CA 3.25Å; G202-G240 PolarHBondContact O-N 3.36Å
241	S	96.6	Very high	97.4	Very high	58 Å²	58	28.8 Å²	28.8	41%	0.406	17%	0.165	S	C	.	.			trans	-90.4	169.2	170.5	71.4	0	0	0	0	111.2	L243 T244 M245	S241-L243 VanDerWaalsContact C-N 3.27Å; S241-L243 PolarHBondContact O-N 3.11Å; S241-L243 PolarHBondContact OG-N 3.2Å; S241-T244 WeakPolarHBondContact O-CB 3.22Å; S241-T244 PolarHBondContact O-N 3.48Å; S241-T244 PolarHBondContact OG-N 2.9Å; S241-T244 VanDerWaalsContact OG-N 3.1Å; S241-T244 PolarHBondContact OG-OG1 3.27Å; S241-M245 PolarHBondContact O-N 2.9Å
242	A	97.4	Very high	97.4	Very high	9 Å²	9	28.6 Å²	28.6	7%	0.074	16%	0.164	C	C	.	.	H	α-helix	trans	-58.7	-39.1	171	0	0	0	0	0	112.2	M237 T244 M245 L246 A343 L346 E347	M237-A242 HydrophobicContact CE-CB 4.17Å; M237-A242 WeakPolarHBondContact SD-CA 3.48Å; M237-A242 HydrophobicContact SD-CB 4.12Å; A242-T244 VanDerWaalsContact C-N 3.34Å; A242-T244 PolarHBondContact O-N 3.48Å; A242-M245 PolarHBondContact O-N 2.94Å; A242-L246 WeakPolarHBondContact O-CB 3.38Å; A242-L246 PolarHBondContact O-N 2.88Å; A242-A343 HydrophobicContact CB-CB 4.36Å; A242-A343 VanDerWaalsContact CB-O 3.29Å; A242-A343 WeakPolarHBondContact CB-O 3.43Å; A242-L346 HydrophobicContact CB-CG 4.48Å; A242-L346 WeakPolarHBondContact O-CD2 3.38Å; A242-E347 HydrophobicContact CB-CB 3.8Å; A242-E347 HydrophobicContact CB-CG 4.5Å
243	L	97.8	Very high	97.3	Very high	81 Å²	81	29.9 Å²	29.9	42%	0.424	18%	0.177	S	C	.	.	H	α-helix	trans	-62.7	-41.7	175.6	-175.2	62.7	0	0	0	111.9	S241 L246 S247 T339 A343	S241-L243 VanDerWaalsContact C-N 3.27Å; S241-L243 PolarHBondContact O-N 3.11Å; S241-L243 PolarHBondContact OG-N 3.2Å; L243-L246 PolarHBondContact O-N 3.29Å; L243-S247 PolarHBondContact O-N 2.78Å; L243-T339 HydrophobicContact CD1-CG2 3.77Å; L243-A343 HydrophobicContact CB-CB 4.31Å; L243-A343 HydrophobicContact CD1-CB 4.28Å
244	T	97.6	Very high	97.3	Very high	50 Å²	50	34.3 Å²	34.3	31%	0.307	21%	0.208	S	C	.	.	H	α-helix	trans	-64.5	-48.5	176.8	-48.9	0	0	0	0	111.4	P201 S241 A242 L246 S247 S248	P201-T244 HydrophobicContact CB-CG2 3.73Å; P201-T244 HydrophobicContact CG-CG2 3.65Å; S241-T244 WeakPolarHBondContact O-CB 3.22Å; S241-T244 PolarHBondContact O-N 3.48Å; S241-T244 PolarHBondContact OG-N 2.9Å; S241-T244 VanDerWaalsContact OG-N 3.1Å; S241-T244 PolarHBondContact OG-OG1 3.27Å; A242-T244 VanDerWaalsContact C-N 3.34Å; A242-T244 PolarHBondContact O-N 3.48Å; T244-L246 VanDerWaalsContact C-N 3.33Å; T244-L246 PolarHBondContact O-N 2.66Å; T244-S247 PolarHBondContact O-N 3.32Å; T244-S248 PolarHBondContact O-N 3.37Å; T244-S248 PolarHBondContact O-OG 3.49Å
245	M	98.4	Very high	97.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-39.3	178	-179.5	64.1	82.9	0	0	111.6	H203 L228 M237 S241 A242 S247 S248 L249 L346	H203-M245 HydrophobicContact CB-CE 4.42Å; L228-M245 HydrophobicContact CD1-SD 3.49Å; L228-M245 WeakPolarHBondContact CD1-SD 3.27Å; M237-M245 HydrophobicContact CG-CB 3.97Å; M237-M245 HydrophobicContact CG-CE 3.75Å; M237-M245 HydrophobicContact CG-CG 4.08Å; M237-M245 HydrophobicContact SD-CB 3.66Å; M237-M245 HydrophobicContact SD-CG 4.11Å; S241-M245 PolarHBondContact O-N 2.9Å; A242-M245 PolarHBondContact O-N 2.94Å; M245-S247 PolarHBondContact O-N 3.43Å; M245-S248 WeakPolarHBondContact O-CB 3.48Å; M245-S248 PolarHBondContact O-N 2.91Å; M245-S248 VanDerWaalsContact O-N 3.13Å; M245-L249 HydrophobicContact CG-CD1 4.04Å; M245-L249 HydrophobicContact CG-CG 4.32Å; M245-L249 WeakPolarHBondContact O-CG 3.32Å; M245-L249 PolarHBondContact O-N 3.16Å; M245-L249 HydrophobicContact SD-CG 4.42Å; M245-L346 HydrophobicContact CB-CD2 3.96Å; M245-L346 HydrophobicContact CG-CD2 3.89Å
246	L	98.6	Very high	97.3	Very high	2 Å²	2	39 Å²	39	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-58.9	-46.6	177.3	-179.9	66.2	0	0	0	111.5	A242 L243 T244 S248 L249 D250 I319 T339 R342 A343 L346	A242-L246 WeakPolarHBondContact O-CB 3.38Å; A242-L246 PolarHBondContact O-N 2.88Å; L243-L246 PolarHBondContact O-N 3.29Å; T244-L246 VanDerWaalsContact C-N 3.33Å; T244-L246 PolarHBondContact O-N 2.66Å; L246-S248 PolarHBondContact O-N 2.88Å; L246-L249 PolarHBondContact O-N 3.36Å; L246-L249 VanDerWaalsContact O-N 3.16Å; L246-D250 PolarHBondContact O-N 2.92Å; L246-I319 HydrophobicContact CD1-CD1 4.06Å; L246-I319 HydrophobicContact CD1-CG2 4.21Å; L246-T339 HydrophobicContact CD2-CG2 3.95Å; L246-T339 WeakPolarHBondContact CD2-O 3.2Å; L246-R342 HydrophobicContact CD1-CB 4.22Å; L246-R342 HydrophobicContact CD2-CB 3.64Å; L246-A343 HydrophobicContact CD2-CB 4.11Å; L246-L346 HydrophobicContact CB-CD2 3.9Å
247	S	98.4	Very high	97.4	Very high	77 Å²	77	39.1 Å²	39.1	54%	0.538	25%	0.245	S	C	.	.	H	α-helix	trans	-59.8	-35.9	176.4	-175.4	0	0	0	0	112.4	L243 T244 M245 T251	L243-S247 PolarHBondContact O-N 2.78Å; T244-S247 PolarHBondContact O-N 3.32Å; M245-S247 PolarHBondContact O-N 3.43Å; S247-T251 PolarHBondContact O-N 2.94Å; S247-T251 PolarHBondContact O-OG1 3.22Å
248	S	98.7	Very high	97.5	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.014	27%	0.269	C	S	.	.	H	α-helix	trans	-70.6	-39.8	176	-65.7	0	0	0	0	112.2	T200 P201 T244 M245 L246 T251 V252	T200-S248 WeakPolarHBondContact CA-OG 3.43Å; P201-S248 PolarHBondContact O-OG 3.39Å; T244-S248 PolarHBondContact O-N 3.37Å; T244-S248 PolarHBondContact O-OG 3.49Å; M245-S248 WeakPolarHBondContact O-CB 3.48Å; M245-S248 PolarHBondContact O-N 2.91Å; M245-S248 VanDerWaalsContact O-N 3.13Å; L246-S248 PolarHBondContact O-N 2.88Å; S248-T251 WeakPolarHBondContact O-CB 3.5Å; S248-T251 PolarHBondContact O-N 3.07Å; S248-V252 PolarHBondContact O-N 2.86Å
249	L	98.8	Very high	97.8	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-36.3	174.3	-67.6	171.9	0	0	0	112	V229 C234 M245 L246 T251 V252 G253 F316 L317 I319 L346	V229-L249 HydrophobicContact CG2-CD2 3.51Å; C234-L249 HydrophobicContact CB-CD2 4.26Å; M245-L249 HydrophobicContact CG-CD1 4.04Å; M245-L249 HydrophobicContact CG-CG 4.32Å; M245-L249 WeakPolarHBondContact O-CG 3.32Å; M245-L249 PolarHBondContact O-N 3.16Å; M245-L249 HydrophobicContact SD-CG 4.42Å; L246-L249 PolarHBondContact O-N 3.36Å; L246-L249 VanDerWaalsContact O-N 3.16Å; L249-T251 VanDerWaalsContact C-N 3.29Å; L249-T251 PolarHBondContact O-N 2.84Å; L249-V252 WeakPolarHBondContact O-CB 3.47Å; L249-V252 PolarHBondContact O-N 3.42Å; L249-V252 VanDerWaalsContact O-N 3.11Å; L249-G253 PolarHBondContact O-N 2.85Å; L249-F316 HydrophobicContact CD1-CB 4.42Å; L249-L317 HydrophobicContact CB-CD2 4.49Å; L249-L317 HydrophobicContact CD2-CD2 4.17Å; L249-I319 HydrophobicContact CD1-CD1 3.94Å; L249-L346 HydrophobicContact CD1-CD1 4.01Å; L249-L346 HydrophobicContact CD1-CD2 3.97Å
250	D	98.5	Very high	98	Very high	62 Å²	62	41.7 Å²	41.7	33%	0.332	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-35.7	174.9	-79.1	-13.7	0	0	0	111.8	L246 V252 G253 S254 R342	L246-D250 PolarHBondContact O-N 2.92Å; D250-V252 VanDerWaalsContact C-N 3.33Å; D250-V252 PolarHBondContact O-N 2.74Å; D250-G253 PolarHBondContact O-N 3.38Å; D250-S254 WeakPolarHBondContact O-CB 3.46Å; D250-S254 PolarHBondContact O-N 3.12Å; D250-R342 IonicContact OD1-CZ 2.76Å; D250-R342 IonicContact OD1-NH1 2.74Å; D250-R342 PolarHBondContact OD1-NH1 3.18Å; D250-R342 IonicContact OD1-NH2 2.88Å; D250-R342 PolarHBondContact OD1-NH2 3.26Å; D250-R342 IonicContact OD2-CZ 2.8Å; D250-R342 IonicContact OD2-NH1 2.74Å; D250-R342 PolarHBondContact OD2-NH1 3.45Å; D250-R342 IonicContact OD2-NH2 3.92Å
251	T	98.5	Very high	98.2	Very high	43 Å²	43	40.6 Å²	40.6	26%	0.264	25%	0.247	S	C	.	.	H	α-helix	trans	-57	-47.3	170.5	-60.2	0	0	0	0	111	L198 S247 S248 L249 S254	L198-T251 HydrophobicContact CB-CG2 4.5Å; L198-T251 HydrophobicContact CD1-CG2 4.02Å; S247-T251 PolarHBondContact O-N 2.94Å; S247-T251 PolarHBondContact O-OG1 3.22Å; S248-T251 WeakPolarHBondContact O-CB 3.5Å; S248-T251 PolarHBondContact O-N 3.07Å; L249-T251 VanDerWaalsContact C-N 3.29Å; L249-T251 PolarHBondContact O-N 2.84Å; T251-S254 PolarHBondContact O-N 3.34Å; T251-S254 PolarHBondContact O-OG 3.43Å
252	V	98.3	Very high	98.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.4	-43.8	177.8	178.8	0	0	0	0	111.7	I209 L223 L228 V229 S248 L249 D250 S254 L255 I307	I209-V252 HydrophobicContact CD1-CG2 3.82Å; L223-V252 HydrophobicContact CD2-CG1 4.11Å; L223-V252 HydrophobicContact CD2-CG2 4.22Å; L228-V252 HydrophobicContact CD2-CG2 3.61Å; V229-V252 HydrophobicContact CG2-CB 4.29Å; V229-V252 HydrophobicContact CG2-CG1 4.09Å; V229-V252 HydrophobicContact CG2-CG2 4.01Å; S248-V252 PolarHBondContact O-N 2.86Å; L249-V252 WeakPolarHBondContact O-CB 3.47Å; L249-V252 PolarHBondContact O-N 3.42Å; L249-V252 VanDerWaalsContact O-N 3.11Å; D250-V252 VanDerWaalsContact C-N 3.33Å; D250-V252 PolarHBondContact O-N 2.74Å; V252-S254 PolarHBondContact O-N 3.49Å; V252-L255 WeakPolarHBondContact O-CB 3.25Å; V252-L255 WeakPolarHBondContact O-CG 3.46Å; V252-L255 PolarHBondContact O-N 3.27Å; V252-L255 VanDerWaalsContact O-N 3.12Å; V252-I307 HydrophobicContact CG1-CD1 3.56Å
253	G	97.8	Very high	98.4	Very high	26 Å²	26	37.5 Å²	37.5	27%	0.268	23%	0.225	S	C	.	.	H	α-helix	trans	-62.7	-24.3	178.4	0	0	0	0	0	113.8	L249 D250 L255 K311	L249-G253 PolarHBondContact O-N 2.85Å; D250-G253 PolarHBondContact O-N 3.38Å; G253-L255 VanDerWaalsContact C-N 3.34Å; G253-K311 WeakPolarHBondContact O-CE 3.47Å; G253-K311 PolarHBondContact O-NZ 2.94Å
254	S	97.8	Very high	98.4	Very high	94 Å²	94	33.6 Å²	33.6	66%	0.657	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-11.1	176.8	77.7	0	0	0	0	114.7	D250 T251 V252	D250-S254 WeakPolarHBondContact O-CB 3.46Å; D250-S254 PolarHBondContact O-N 3.12Å; T251-S254 PolarHBondContact O-N 3.34Å; T251-S254 PolarHBondContact O-OG 3.43Å; V252-S254 PolarHBondContact O-N 3.49Å
255	L	98.4	Very high	98.5	Very high	26 Å²	26	31.5 Å²	31.5	14%	0.136	19%	0.191	C	C	.	.	S	Bend	trans	-71.6	159	178.3	-59.2	175.6	0	0	0	111.5	L211 L223 V252 G253 T259 I307 K311	L211-L255 HydrophobicContact CD1-CD1 4.49Å; L211-L255 HydrophobicContact CD2-CD2 4.09Å; L223-L255 HydrophobicContact CD1-CD1 4.15Å; L223-L255 HydrophobicContact CD2-CD1 3.77Å; L223-L255 HydrophobicContact CG-CD1 4.38Å; V252-L255 WeakPolarHBondContact O-CB 3.25Å; V252-L255 WeakPolarHBondContact O-CG 3.46Å; V252-L255 PolarHBondContact O-N 3.27Å; V252-L255 VanDerWaalsContact O-N 3.12Å; G253-L255 VanDerWaalsContact C-N 3.34Å; L255-T259 HydrophobicContact CD1-CG2 4.43Å; L255-I307 HydrophobicContact CB-CG1 4.44Å; L255-I307 HydrophobicContact CB-CG2 4.5Å; L255-K311 PolarHBondContact O-NZ 3.37Å
256	S	98.1	Very high	98.4	Very high	74 Å²	74	32.4 Å²	32.4	52%	0.517	20%	0.195	S	C	.	.			trans	-58	140.5	175	178.2	0	0	0	0	110.6	E258 T259	S256-E258 PolarHBondContact O-N 3.49Å; S256-T259 WeakPolarHBondContact O-CB 3.48Å; S256-T259 PolarHBondContact O-N 2.78Å; S256-T259 PolarHBondContact O-OG1 2.93Å
257	D	98.6	Very high	98.4	Very high	86 Å²	86	35.6 Å²	35.6	46%	0.46	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-29.3	-179.3	-69	-18.3	0	0	0	112.7	T259 T306 G308 K311	D257-T259 PolarHBondContact O-N 2.89Å; D257-T306 WeakPolarHBondContact O-CB 3.49Å; D257-G308 PolarHBondContact O-N 3.31Å; D257-K311 IonicContact OD1-NZ 2.76Å; D257-K311 PolarHBondContact OD1-NZ 3.37Å
258	E	98.2	Very high	98.3	Very high	136 Å²	136	32 Å²	32	64%	0.636	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-7.8	176.7	-61.5	-178.2	176.9	0	0	113.7	P220 S256 L260	P220-E258 HydrophobicContact CB-CB 4.45Å; P220-E258 WeakPolarHBondContact CB-O 3.5Å; S256-E258 PolarHBondContact O-N 3.49Å; E258-L260 PolarHBondContact O-N 2.89Å
259	T	98.8	Very high	98.3	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.025	20%	0.198	C	C	.	.			trans	-62.9	124.1	-178.7	-54.2	0	0	0	0	109.8	L211 S221 L223 L255 S256 D257 T306 I307	L211-T259 HydrophobicContact CD1-CG2 3.8Å; S221-T259 CarbonylContact O-C 3.03Å; S221-T259 WeakPolarHBondContact O-CA 3.43Å; L223-T259 HydrophobicContact CB-CG2 3.94Å; L255-T259 HydrophobicContact CD1-CG2 4.43Å; S256-T259 WeakPolarHBondContact O-CB 3.48Å; S256-T259 PolarHBondContact O-N 2.78Å; S256-T259 PolarHBondContact O-OG1 2.93Å; D257-T259 PolarHBondContact O-N 2.89Å; T259-T306 CarbonylContact O-C 3.55Å; T259-T306 VanDerWaalsContact O-CA 3.27Å; T259-T306 WeakPolarHBondContact O-CA 3.34Å; T259-I307 HydrophobicContact CG2-CG1 4.11Å; T259-I307 PolarHBondContact O-N 3.4Å
260	L	98.8	Very high	98.2	Very high	19 Å²	19	39.8 Å²	39.8	10%	0.099	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.6	177.7	-56.1	177.2	0	0	0	110.2	M88 L90 P220 S221 S222 L223 E258 P304 S305 T306	M88-L260 HydrophobicContact SD-CD1 3.46Å; M88-L260 WeakPolarHBondContact SD-CD1 3.47Å; L90-L260 HydrophobicContact CD1-CD1 3.89Å; L90-L260 HydrophobicContact CD2-CD1 4.49Å; P220-L260 HydrophobicContact CB-CG 4.45Å; S221-L260 PolarHBondContact O-N 2.57Å; S222-L260 CarbonylContact C-O 3.52Å; L223-L260 PolarHBondContact N-O 3.14Å; E258-L260 PolarHBondContact O-N 2.89Å; L260-P304 HydrophobicContact CB-CB 4.16Å; L260-S305 CarbonylContact C-O 3.47Å; L260-S305 WeakPolarHBondContact CA-O 3.46Å; L260-T306 HydrophobicContact CD2-CG2 4.08Å
261	L	98.8	Very high	98.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	124	179.8	179	65.1	0	0	0	111.2	L223 S225 V229 P263 P304 S305 I307 E310	L223-L261 HydrophobicContact CD2-CD1 4.01Å; S225-L261 WeakPolarHBondContact OG-CD1 3.34Å; V229-L261 HydrophobicContact CG1-CD2 3.89Å; L261-P263 WeakPolarHBondContact O-CD 3.3Å; L261-P304 WeakPolarHBondContact O-CA 3.43Å; L261-P304 VanDerWaalsContact O-CB 3.29Å; L261-P304 WeakPolarHBondContact O-CB 3.5Å; L261-S305 PolarHBondContact N-O 3.09Å; L261-S305 PolarHBondContact O-N 3.07Å; L261-I307 HydrophobicContact CB-CD1 4.33Å; L261-I307 HydrophobicContact CD1-CD1 4.32Å; L261-E310 HydrophobicContact CD2-CG 3.71Å
262	W	98.8	Very high	98.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	90.4	179.5	-57.9	98	0	0	0	110.2	M88 I95 P97 Y107 S222 L223 F224 S225 P304	M88-W262 HydrophobicContact CB-CH2 3.97Å; M88-W262 HydrophobicContact CB-CZ2 4.28Å; M88-W262 HydrophobicContact SD-CH2 4.29Å; M88-W262 HydrophobicContact SD-CZ2 3.94Å; I95-W262 HydrophobicContact CB-CH2 4.25Å; I95-W262 HydrophobicContact CB-CZ2 4.02Å; I95-W262 HydrophobicContact CD1-CZ2 3.95Å; I95-W262 HydrophobicContact CG2-CD2 4.12Å; I95-W262 HydrophobicContact CG2-CE3 4.28Å; I95-W262 HydrophobicContact CG2-CH2 3.88Å; I95-W262 HydrophobicContact CG2-CZ2 3.73Å; I95-W262 HydrophobicContact CG2-CZ3 4.18Å; P97-W262 HydrophobicContact CG-CE3 4.33Å; P97-W262 HydrophobicContact CG-CZ3 3.77Å; Y107-W262 HydrophobicContact CD1-CB 4.36Å; Y107-W262 HydrophobicContact CD1-CD2 4.49Å; Y107-W262 AromaticContact CD1-CE3 3.99Å; Y107-W262 HydrophobicContact CD1-CE3 3.99Å; Y107-W262 HydrophobicContact CD2-CB 4.31Å; Y107-W262 HydrophobicContact CE1-CB 3.97Å; Y107-W262 HydrophobicContact CE1-CD2 4.24Å; Y107-W262 AromaticContact CE1-CE3 3.53Å; Y107-W262 HydrophobicContact CE1-CE3 3.53Å; Y107-W262 HydrophobicContact CE1-CG 4.47Å; Y107-W262 HydrophobicContact CE1-CZ3 4.35Å; Y107-W262 HydrophobicContact CE2-CB 3.87Å; Y107-W262 VanDerWaalsContact OH-C 3.28Å; S222-W262 PolarHBondContact OG-NE1 2.99Å; S222-W262 VanDerWaalsContact OG-NE1 3.12Å; L223-W262 WeakPolarHBondContact O-CB 3.39Å; L223-W262 PolarHBondContact O-N 2.57Å; F224-W262 WeakPolarHBondContact CA-O 3.45Å; F224-W262 HydrophobicContact CD1-CB 3.57Å; F224-W262 HydrophobicContact CD1-CG 4.05Å; F224-W262 HydrophobicContact CE1-CB 3.88Å; F224-W262 AromaticContact CE1-CD1 3.96Å; F224-W262 HydrophobicContact CE1-CD2 4.49Å; F224-W262 AromaticContact CE1-CG 3.85Å; F224-W262 HydrophobicContact CE1-CG 3.85Å; F224-W262 HydrophobicContact CG-CB 4.37Å; S225-W262 PolarHBondContact N-O 3.12Å; S225-W262 VanDerWaalsContact N-O 3.08Å; W262-P304 HydrophobicContact CD2-CB 3.84Å; W262-P304 HydrophobicContact CD2-CG 4.46Å; W262-P304 HydrophobicContact CE3-CB 3.92Å; W262-P304 HydrophobicContact CE3-CG 4.36Å; W262-P304 HydrophobicContact CH2-CB 3.97Å; W262-P304 VanDerWaalsContact CH2-CD 3.42Å; W262-P304 HydrophobicContact CH2-CG 3.52Å; W262-P304 HydrophobicContact CZ2-CB 3.83Å; W262-P304 HydrophobicContact CZ2-CG 3.57Å; W262-P304 HydrophobicContact CZ3-CB 3.99Å; W262-P304 VanDerWaalsContact CZ3-CD 3.48Å; W262-P304 HydrophobicContact CZ3-CG 3.91Å
263	P	98.6	Very high	98.1	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	156.3	-173.5	33.2	-36.9	0	0	0	115.7	Y107 S225 F230 L261 H265 S303	Y107-P263 WeakPolarHBondContact CE2-O 3.41Å; Y107-P263 WeakPolarHBondContact OH-CD 3.41Å; Y107-P263 VanDerWaalsContact OH-N 3.16Å; Y107-P263 PolarHBondContact OH-O 3.5Å; S225-P263 WeakPolarHBondContact OG-CA 3.33Å; F230-P263 HydrophobicContact CB-CB 4.5Å; F230-P263 HydrophobicContact CD1-CB 3.96Å; L261-P263 WeakPolarHBondContact O-CD 3.3Å; P263-H265 PolarHBondContact O-N 3.01Å; P263-S303 VanDerWaalsContact CD-OG 3.23Å; P263-S303 WeakPolarHBondContact CD-OG 3.26Å; P263-S303 VanDerWaalsContact CG-OG 3.31Å; P263-S303 WeakPolarHBondContact CG-OG 3.26Å
264	G	98.4	Very high	98.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-63.7	-22.9	179.2	0	0	0	0	0	115.4	N104 Y105 G226	N104-G264 CarbonylContact C-O 3.58Å; N104-G264 WeakPolarHBondContact CA-O 3.17Å; Y105-G264 PolarHBondContact N-O 2.87Å; G226-G264 WeakPolarHBondContact O-CA 3.25Å; G226-G264 PolarHBondContact O-N 3.34Å
265	H	98.5	Very high	98.1	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.023	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-141.7	150.9	-171.7	-66.6	-96.8	0	0	0	114.8	D103 N104 D150 H151 D227 F230 P263 Y267	D103-H265 CarbonylContact O-C 3.59Å; D103-H265 VanDerWaalsContact O-CA 3.28Å; D103-H265 WeakPolarHBondContact O-CA 3.44Å; D103-H265 IonicContact OD1-CE1 3.89Å; D103-H265 IonicContact OD1-CG 3.71Å; D103-H265 IonicContact OD1-ND1 2.83Å; D103-H265 PolarHBondContact OD1-ND1 3.22Å; N104-H265 PolarHBondContact ND2-CE1 3.27Å; N104-H265 PolarHBondContact ND2-NE2 2.64Å; D150-H265 IonicContact OD2-CE1 3.26Å; D150-H265 PolarHBondContact OD2-CE1 3.28Å; D150-H265 IonicContact OD2-NE2 2.89Å; H151-H265 AromaticContact CE1-NE2 3.98Å; H151-H265 AromaticContact NE2-NE2 3.35Å; H151-H265 PolarHBondContact NE2-NE2 3.04Å; D227-H265 IonicContact OD1-CD2 3.36Å; D227-H265 PolarHBondContact OD1-CD2 2.76Å; D227-H265 IonicContact OD1-NE2 3.55Å; D227-H265 PolarHBondContact OD1-NE2 3.49Å; D227-H265 IonicContact OD2-CD2 3.77Å; D227-H265 IonicContact OD2-NE2 2.7Å; D227-H265 PolarHBondContact OD2-NE2 3.01Å; F230-H265 HydrophobicContact CD1-CB 4.4Å; F230-H265 HydrophobicContact CE1-CB 4.11Å; F230-H265 AromaticContact CE1-CD2 3.75Å; F230-H265 AromaticContact CZ-CD2 4Å; P263-H265 PolarHBondContact O-N 3.01Å; H265-Y267 VanDerWaalsContact C-N 3.31Å; H265-Y267 HydrophobicContact CB-CD1 3.87Å; H265-Y267 HydrophobicContact CB-CD2 3.64Å; H265-Y267 HydrophobicContact CB-CE1 3.77Å; H265-Y267 HydrophobicContact CB-CE2 3.56Å; H265-Y267 HydrophobicContact CB-CG 3.8Å; H265-Y267 PolarHBondContact CE1-OH 3.16Å; H265-Y267 AromaticContact CG-CE2 3.64Å; H265-Y267 AromaticContact CG-CZ 3.53Å; H265-Y267 AromaticContact ND1-CE1 3.92Å; H265-Y267 AromaticContact ND1-CZ 3.44Å; H265-Y267 PolarHBondContact ND1-OH 2.61Å; H265-Y267 VanDerWaalsContact ND1-OH 3.16Å; H265-Y267 PolarHBondContact O-N 3.41Å; H265-Y267 VanDerWaalsContact O-N 3.1Å
266	E	97.7	Very high	98	Very high	20 Å²	20	31.4 Å²	31.4	9%	0.093	16%	0.164	C	C	.	.			trans	-82.5	66.7	171.2	-171.4	53.4	-97.5	0	0	111.4	D103 Y105 R296 T302	D103-E266 HydrophobicContact CB-CB 4.47Å; D103-E266 PolarHBondContact O-N 3.46Å; Y105-E266 HydrophobicContact CE2-CB 3.69Å; Y105-E266 HydrophobicContact CE2-CG 4.28Å; Y105-E266 WeakPolarHBondContact CE2-OE2 3.07Å; Y105-E266 PolarHBondContact OH-OE2 3.38Å; E266-R296 VanDerWaalsContact CD-NH1 3.34Å; E266-R296 IonicContact OE2-CZ 3.17Å; E266-R296 IonicContact OE2-NH1 2.86Å; E266-R296 PolarHBondContact OE2-NH1 3.15Å; E266-R296 VanDerWaalsContact OE2-NH1 3.12Å; E266-T302 VanDerWaalsContact CD-OG1 3.23Å; E266-T302 WeakPolarHBondContact OE1-CB 3.5Å; E266-T302 WeakPolarHBondContact OE1-CG2 3.42Å; E266-T302 PolarHBondContact OE1-OG1 3.21Å; E266-T302 PolarHBondContact OE2-N 3.12Å; E266-T302 PolarHBondContact OE2-OG1 3.16Å
267	Y	97.9	Very high	97.9	Very high	69 Å²	69	32.9 Å²	32.9	27%	0.271	16%	0.163	S	C	.	.			trans	-103.2	7.8	-179.7	-67	-18.1	0	0	0	114.2	D103 F230 H265 E269 D270 N271	D103-Y267 HydrophobicContact CB-CE1 4.21Å; D103-Y267 PolarHBondContact OD1-OH 2.91Å; F230-Y267 HydrophobicContact CD2-CD2 4.11Å; F230-Y267 HydrophobicContact CE1-CD2 4.49Å; F230-Y267 AromaticContact CE2-CD2 4Å; F230-Y267 HydrophobicContact CE2-CD2 4Å; F230-Y267 HydrophobicContact CE2-CE2 4.29Å; F230-Y267 HydrophobicContact CG-CD2 4.38Å; F230-Y267 HydrophobicContact CZ-CD2 4.2Å; F230-Y267 HydrophobicContact CZ-CE2 4.22Å; H265-Y267 VanDerWaalsContact C-N 3.31Å; H265-Y267 HydrophobicContact CB-CD1 3.87Å; H265-Y267 HydrophobicContact CB-CD2 3.64Å; H265-Y267 HydrophobicContact CB-CE1 3.77Å; H265-Y267 HydrophobicContact CB-CE2 3.56Å; H265-Y267 HydrophobicContact CB-CG 3.8Å; H265-Y267 PolarHBondContact CE1-OH 3.16Å; H265-Y267 AromaticContact CG-CE2 3.64Å; H265-Y267 AromaticContact CG-CZ 3.53Å; H265-Y267 AromaticContact ND1-CE1 3.92Å; H265-Y267 AromaticContact ND1-CZ 3.44Å; H265-Y267 PolarHBondContact ND1-OH 2.61Å; H265-Y267 VanDerWaalsContact ND1-OH 3.16Å; H265-Y267 PolarHBondContact O-N 3.41Å; H265-Y267 VanDerWaalsContact O-N 3.1Å; Y267-E269 PolarHBondContact O-N 3.17Å; Y267-D270 PolarHBondContact O-N 3.33Å; Y267-N271 WeakPolarHBondContact CB-ND2 3.48Å; Y267-N271 WeakPolarHBondContact O-CB 3.43Å; Y267-N271 PolarHBondContact O-N 3.13Å; Y267-N271 PolarHBondContact O-ND2 2.79Å
268	A	97.5	Very high	97.7	Very high	1 Å²	1	29 Å²	29	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-54.6	-45.7	-169.4	0	0	0	0	0	113.7	L231 N271 L272 V292 T302	L231-A268 HydrophobicContact CB-CB 4.08Å; L231-A268 HydrophobicContact CD1-CB 3.89Å; L231-A268 HydrophobicContact CD2-CB 3.81Å; L231-A268 HydrophobicContact CG-CB 4.14Å; A268-N271 PolarHBondContact O-N 3.19Å; A268-L272 WeakPolarHBondContact O-CB 3.48Å; A268-L272 WeakPolarHBondContact O-CD1 3.4Å; A268-L272 VanDerWaalsContact O-CG 3.26Å; A268-L272 WeakPolarHBondContact O-CG 3.37Å; A268-L272 PolarHBondContact O-N 2.82Å; A268-V292 HydrophobicContact CB-CG1 3.98Å; A268-V292 HydrophobicContact CB-CG2 3.93Å; A268-T302 HydrophobicContact CB-CG2 4.03Å; A268-T302 WeakPolarHBondContact CB-OG1 3.27Å
269	E	96.9	Very high	97.5	Very high	74 Å²	74	23.3 Å²	23.3	35%	0.346	12%	0.116	S	C	.	.	H	α-helix	trans	-62.7	-56	-178.6	-169.2	176.1	157.4	0	0	111.6	Y267 N271 L272 M273 Y289 V292 L293	Y267-E269 PolarHBondContact O-N 3.17Å; E269-N271 VanDerWaalsContact C-N 3.27Å; E269-N271 PolarHBondContact O-N 3.26Å; E269-L272 PolarHBondContact O-N 2.86Å; E269-M273 WeakPolarHBondContact O-CG 3.25Å; E269-M273 PolarHBondContact O-N 2.82Å; E269-Y289 HydrophobicContact CG-CE2 4.05Å; E269-V292 HydrophobicContact CB-CG1 4.12Å; E269-L293 HydrophobicContact CG-CD2 4.23Å
270	D	96.8	Very high	97.2	Very high	95 Å²	95	26.8 Å²	26.8	51%	0.508	14%	0.139	S	C	.	.	H	α-helix	trans	-60.2	-37	178.2	-77	-16.1	0	0	0	112.4	Y267 F274	Y267-D270 PolarHBondContact O-N 3.33Å; D270-F274 PolarHBondContact O-N 3.3Å
271	N	98.4	Very high	97	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-44.9	178.6	-74.1	-13.2	0	0	0	111.9	F230 L231 Y267 A268 E269 F274 A275 K353	F230-N271 WeakPolarHBondContact CB-ND2 3.34Å; L231-N271 VanDerWaalsContact O-CB 3.25Å; L231-N271 WeakPolarHBondContact O-CB 3.21Å; L231-N271 PolarHBondContact O-ND2 3.03Å; Y267-N271 WeakPolarHBondContact CB-ND2 3.48Å; Y267-N271 WeakPolarHBondContact O-CB 3.43Å; Y267-N271 PolarHBondContact O-N 3.13Å; Y267-N271 PolarHBondContact O-ND2 2.79Å; A268-N271 PolarHBondContact O-N 3.19Å; E269-N271 VanDerWaalsContact C-N 3.27Å; E269-N271 PolarHBondContact O-N 3.26Å; N271-F274 PolarHBondContact O-N 3.45Å; N271-A275 WeakPolarHBondContact O-CB 3.26Å; N271-A275 PolarHBondContact O-N 3.38Å; N271-K353 WeakPolarHBondContact OD1-CE 3.37Å; N271-K353 PolarHBondContact OD1-NZ 3.17Å
272	L	98.4	Very high	96.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.9	-35.3	178.2	-73.4	164.8	0	0	0	111.8	L231 S232 A268 E269 A275 A276 R285 K288 Y289 V292 Y313	L231-L272 HydrophobicContact CD2-CD1 3.9Å; L231-L272 HydrophobicContact CD2-CG 4.18Å; S232-L272 VanDerWaalsContact CB-CD2 3.5Å; S232-L272 WeakPolarHBondContact OG-CD2 3.39Å; A268-L272 WeakPolarHBondContact O-CB 3.48Å; A268-L272 WeakPolarHBondContact O-CD1 3.4Å; A268-L272 VanDerWaalsContact O-CG 3.26Å; A268-L272 WeakPolarHBondContact O-CG 3.37Å; A268-L272 PolarHBondContact O-N 2.82Å; E269-L272 PolarHBondContact O-N 2.86Å; L272-A275 PolarHBondContact O-N 3.27Å; L272-A276 PolarHBondContact O-N 3.09Å; L272-R285 HydrophobicContact CD2-CG 3.79Å; L272-K288 HydrophobicContact CD1-CB 4.47Å; L272-K288 HydrophobicContact CD1-CG 4.18Å; L272-K288 HydrophobicContact CD2-CB 4.31Å; L272-K288 HydrophobicContact CD2-CG 4.44Å; L272-Y289 HydrophobicContact CB-CD2 3.72Å; L272-Y289 HydrophobicContact CB-CG 4.35Å; L272-Y289 HydrophobicContact CD1-CD2 4.23Å; L272-V292 HydrophobicContact CD1-CB 4.07Å; L272-V292 HydrophobicContact CD1-CG2 3.59Å; L272-Y313 HydrophobicContact CD2-CD2 4.14Å
273	M	97.7	Very high	96.8	Very high	45 Å²	45	39 Å²	39	22%	0.222	21%	0.207	C	C	.	.	H	α-helix	trans	-61.4	-44.1	171.2	-71.3	-178.9	72.7	0	0	111.5	E269 A276 Y289 Y356	E269-M273 WeakPolarHBondContact O-CG 3.25Å; E269-M273 PolarHBondContact O-N 2.82Å; M273-A276 VanDerWaalsContact O-CB 3.28Å; M273-A276 WeakPolarHBondContact O-CB 3.14Å; M273-A276 PolarHBondContact O-N 3.3Å; M273-Y289 HydrophobicContact CG-CE2 3.92Å; M273-Y356 HydrophobicContact CB-CE1 4.46Å; M273-Y356 WeakPolarHBondContact CB-OH 3.37Å
274	F	98.1	Very high	96.8	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-41.4	173.7	171.7	-100.9	0	0	0	112.2	D270 N271 A276 E277 V278 P315 F316 L349 R352 K353 Y356	D270-F274 PolarHBondContact O-N 3.3Å; N271-F274 PolarHBondContact O-N 3.45Å; F274-A276 PolarHBondContact O-N 2.94Å; F274-E277 WeakPolarHBondContact O-CB 3.44Å; F274-E277 PolarHBondContact O-N 2.92Å; F274-V278 HydrophobicContact CE1-CG1 4.44Å; F274-V278 HydrophobicContact CE2-CG1 4.37Å; F274-V278 HydrophobicContact CZ-CG1 3.97Å; F274-P315 HydrophobicContact CE1-CG 4.47Å; F274-F316 HydrophobicContact CE1-CE2 4.28Å; F274-F316 HydrophobicContact CE1-CZ 4.19Å; F274-L349 HydrophobicContact CE1-CD1 3.71Å; F274-L349 HydrophobicContact CE1-CG 4.27Å; F274-L349 HydrophobicContact CZ-CD1 3.77Å; F274-L349 HydrophobicContact CZ-CG 4.45Å; F274-L349 WeakPolarHBondContact CZ-O 3.37Å; F274-R352 HydrophobicContact CE2-CB 3.93Å; F274-R352 HydrophobicContact CZ-CB 4.06Å; F274-K353 HydrophobicContact CB-CD 4.4Å; F274-K353 HydrophobicContact CB-CG 4.33Å; F274-K353 HydrophobicContact CD1-CB 3.96Å; F274-K353 HydrophobicContact CD1-CD 3.44Å; F274-K353 VanDerWaalsContact CD1-CD 3.44Å; F274-K353 HydrophobicContact CD1-CG 3.69Å; F274-K353 HydrophobicContact CD2-CB 4Å; F274-K353 HydrophobicContact CD2-CG 3.97Å; F274-K353 HydrophobicContact CE1-CB 3.65Å; F274-K353 HydrophobicContact CE1-CD 3.8Å; F274-K353 HydrophobicContact CE1-CG 3.94Å; F274-K353 VanDerWaalsContact CE2-CA 3.44Å; F274-K353 HydrophobicContact CE2-CB 3.72Å; F274-K353 HydrophobicContact CE2-CG 4.21Å; F274-K353 HydrophobicContact CG-CB 4.11Å; F274-K353 HydrophobicContact CG-CD 3.88Å; F274-K353 HydrophobicContact CG-CG 3.69Å; F274-K353 HydrophobicContact CZ-CB 3.52Å; F274-K353 HydrophobicContact CZ-CG 4.19Å; F274-Y356 HydrophobicContact CB-CD1 3.98Å; F274-Y356 HydrophobicContact CB-CE1 4.06Å; F274-Y356 HydrophobicContact CB-CG 4.4Å; F274-Y356 HydrophobicContact CD2-CD1 4.27Å; F274-Y356 HydrophobicContact CD2-CD2 4.15Å; F274-Y356 AromaticContact CD2-CG 3.85Å; F274-Y356 HydrophobicContact CD2-CG 3.85Å
275	A	97.6	Very high	96.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-30.4	176.4	0	0	0	0	0	111.7	N271 L272 E277 V278 E279 R285 P315	N271-A275 WeakPolarHBondContact O-CB 3.26Å; N271-A275 PolarHBondContact O-N 3.38Å; L272-A275 PolarHBondContact O-N 3.27Å; A275-E277 VanDerWaalsContact C-N 3.34Å; A275-E277 PolarHBondContact O-N 3.39Å; A275-V278 WeakPolarHBondContact O-CG2 3.39Å; A275-V278 PolarHBondContact O-N 3.45Å; A275-E279 PolarHBondContact O-N 3.13Å; A275-R285 HydrophobicContact CB-CG 3.85Å; A275-P315 HydrophobicContact CB-CG 4.13Å
276	A	96.6	Very high	96.7	Very high	25 Å²	25	44 Å²	44	21%	0.207	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-31.6	174.1	0	0	0	0	0	114.5	L272 M273 F274 V278 P280 R285	L272-A276 PolarHBondContact O-N 3.09Å; M273-A276 VanDerWaalsContact O-CB 3.28Å; M273-A276 WeakPolarHBondContact O-CB 3.14Å; M273-A276 PolarHBondContact O-N 3.3Å; F274-A276 PolarHBondContact O-N 2.94Å; A276-V278 VanDerWaalsContact C-N 3.3Å; A276-P280 VanDerWaalsContact O-CA 3.28Å; A276-P280 WeakPolarHBondContact O-CA 3.43Å; A276-P280 WeakPolarHBondContact O-CB 3.41Å; A276-R285 VanDerWaalsContact CA-NH2 3.34Å; A276-R285 VanDerWaalsContact CB-NH1 3.3Å
277	E	94.8	Very high	96.7	Very high	106 Å²	106	48.6 Å²	48.6	50%	0.495	26%	0.259	S	S	.	.	H	α-helix	trans	-71.7	-27.1	178.1	-64.4	-71.9	146.9	0	0	112.1	F274 A275 Y356	F274-E277 WeakPolarHBondContact O-CB 3.44Å; F274-E277 PolarHBondContact O-N 2.92Å; A275-E277 VanDerWaalsContact C-N 3.34Å; A275-E277 PolarHBondContact O-N 3.39Å; E277-Y356 HydrophobicContact CG-CD2 4.29Å; E277-Y356 HydrophobicContact CG-CE2 3.71Å
278	V	94.9	Very high	96.8	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.03	25%	0.25	C	S	.	.	H	α-helix	trans	-101	-31.7	-178.7	-63.3	0	0	0	0	113.1	F274 A275 A276 P315 L324 A327 L328 L349	F274-V278 HydrophobicContact CE1-CG1 4.44Å; F274-V278 HydrophobicContact CE2-CG1 4.37Å; F274-V278 HydrophobicContact CZ-CG1 3.97Å; A275-V278 WeakPolarHBondContact O-CG2 3.39Å; A275-V278 PolarHBondContact O-N 3.45Å; A276-V278 VanDerWaalsContact C-N 3.3Å; V278-P315 HydrophobicContact CG2-CB 3.93Å; V278-P315 HydrophobicContact CG2-CG 4.27Å; V278-L324 HydrophobicContact CB-CD1 4.17Å; V278-L324 HydrophobicContact CG2-CD1 4.23Å; V278-A327 WeakPolarHBondContact O-CB 3.14Å; V278-L328 HydrophobicContact CG1-CD2 4.16Å; V278-L349 HydrophobicContact CB-CD1 4.4Å; V278-L349 HydrophobicContact CG1-CD1 3.9Å; V278-L349 HydrophobicContact CG2-CD1 4.2Å
279	E	93.8	Very high	96.8	Very high	15 Å²	15	48.2 Å²	48.2	7%	0.07	26%	0.258	C	S	.	.			trans	-132.3	71.1	178.7	-65.4	-175.9	99.9	0	0	109.9	A275 H281 N282 R285 R318 L324	A275-E279 PolarHBondContact O-N 3.13Å; E279-H281 PolarHBondContact O-N 2.71Å; E279-N282 HydrophobicContact CB-CB 4.01Å; E279-N282 PolarHBondContact O-N 3.07Å; E279-R285 PolarHBondContact O-NH2 3.21Å; E279-R318 IonicContact OE1-CZ 3.62Å; E279-R318 VanDerWaalsContact OE1-CZ 3.26Å; E279-R318 IonicContact OE1-NE 3.57Å; E279-R318 PolarHBondContact OE1-NE 3Å; E279-R318 IonicContact OE1-NH2 2.71Å; E279-R318 PolarHBondContact OE1-NH2 3.28Å; E279-R318 IonicContact OE2-NE 3.49Å; E279-R318 PolarHBondContact OE2-NE 3.47Å; E279-R318 VanDerWaalsContact OE2-NE 3.17Å; E279-L324 HydrophobicContact CG-CD1 4.01Å
280	P	92.6	Very high	96.9	Very high	78 Å²	78	49.5 Å²	49.5	51%	0.506	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.5	-173	24.6	-34.6	0	0	0	113.8	A276 R285	A276-P280 VanDerWaalsContact O-CA 3.28Å; A276-P280 WeakPolarHBondContact O-CA 3.43Å; A276-P280 WeakPolarHBondContact O-CB 3.41Å; P280-R285 PolarHBondContact O-NH2 3.47Å
281	H	93.6	Very high	97	Very high	183 Å²	183	49 Å²	49	85%	0.847	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	8.9	-177.4	-56.3	-55.2	0	0	0	114	E279 A283	E279-H281 PolarHBondContact O-N 2.71Å; H281-A283 PolarHBondContact O-N 3.18Å
282	N	96.4	Very high	97	Very high	26 Å²	26	48.9 Å²	48.9	14%	0.139	26%	0.255	C	S	.	.			trans	-76.9	104.5	177.5	-174.9	-24.1	0	0	0	110.8	E279 A284 R285 E286 E312	E279-N282 HydrophobicContact CB-CB 4.01Å; E279-N282 PolarHBondContact O-N 3.07Å; N282-A284 WeakPolarHBondContact OD1-CB 3.34Å; N282-A284 PolarHBondContact OD1-N 3.37Å; N282-R285 HydrophobicContact CB-CB 3.91Å; N282-R285 WeakPolarHBondContact O-CB 3.44Å; N282-R285 PolarHBondContact O-N 3.45Å; N282-R285 PolarHBondContact OD1-N 3.11Å; N282-R285 VanDerWaalsContact OD1-N 3.11Å; N282-E286 PolarHBondContact O-N 2.79Å; N282-E312 PolarHBondContact ND2-O 3.46Å
283	A	97.4	Very high	97	Very high	67 Å²	67	51.7 Å²	51.7	55%	0.554	27%	0.269	S	S	*	.	H	α-helix	trans	-66.9	-34.6	-178.9	0	0	0	0	0	113.3	H281 R285 E286 N287	H281-A283 PolarHBondContact O-N 3.18Å; A283-R285 VanDerWaalsContact C-N 3.29Å; A283-R285 PolarHBondContact O-N 2.98Å; A283-E286 PolarHBondContact O-N 3.36Å; A283-N287 VanDerWaalsContact O-CG 3.28Å; A283-N287 PolarHBondContact O-N 3.28Å; A283-N287 PolarHBondContact O-ND2 2.86Å
284	A	98.1	Very high	97	Very high	26 Å²	26	55.1 Å²	55.1	22%	0.215	29%	0.285	C	S	.	.	H	α-helix	trans	-62.2	-41.4	176.1	0	0	0	0	0	110.7	N282 N287 K288 E312	N282-A284 WeakPolarHBondContact OD1-CB 3.34Å; N282-A284 PolarHBondContact OD1-N 3.37Å; A284-N287 PolarHBondContact O-N 2.91Å; A284-K288 WeakPolarHBondContact O-CB 3.42Å; A284-K288 PolarHBondContact O-N 3.34Å; A284-E312 HydrophobicContact CB-CB 3.82Å
285	R	97.8	Very high	97	Very high	13 Å²	13	56 Å²	56	5%	0.049	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-46.5	174.5	-170.7	-86.5	-67.1	156	8.8	112.1	L272 A275 A276 E279 P280 N282 A283 K288 Y289 Y313	L272-R285 HydrophobicContact CD2-CG 3.79Å; A275-R285 HydrophobicContact CB-CG 3.85Å; A276-R285 VanDerWaalsContact CA-NH2 3.34Å; A276-R285 VanDerWaalsContact CB-NH1 3.3Å; E279-R285 PolarHBondContact O-NH2 3.21Å; P280-R285 PolarHBondContact O-NH2 3.47Å; N282-R285 HydrophobicContact CB-CB 3.91Å; N282-R285 WeakPolarHBondContact O-CB 3.44Å; N282-R285 PolarHBondContact O-N 3.45Å; N282-R285 PolarHBondContact OD1-N 3.11Å; N282-R285 VanDerWaalsContact OD1-N 3.11Å; A283-R285 VanDerWaalsContact C-N 3.29Å; A283-R285 PolarHBondContact O-N 2.98Å; R285-K288 PolarHBondContact O-N 3.47Å; R285-Y289 WeakPolarHBondContact O-CB 3.48Å; R285-Y289 PolarHBondContact O-N 3.15Å; R285-Y313 VanDerWaalsContact CA-CB 3.49Å
286	E	98.1	Very high	96.9	Very high	71 Å²	71	58.6 Å²	58.6	33%	0.332	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-44.5	179.5	-172	56.3	-144	0	0	111.9	N282 A283 K288 Y289 Q290	N282-E286 PolarHBondContact O-N 2.79Å; A283-E286 PolarHBondContact O-N 3.36Å; E286-K288 VanDerWaalsContact C-N 3.33Å; E286-K288 PolarHBondContact O-N 3.18Å; E286-Y289 WeakPolarHBondContact O-CB 3.37Å; E286-Y289 PolarHBondContact O-N 3.31Å; E286-Y289 VanDerWaalsContact O-N 3.15Å; E286-Q290 WeakPolarHBondContact O-CG 3.44Å; E286-Q290 PolarHBondContact O-N 2.97Å; E286-Q290 PolarHBondContact OE1-NE2 3.41Å
287	N	98.4	Very high	96.9	Very high	117 Å²	117	60.6 Å²	60.6	63%	0.626	32%	0.322	S	S	*	.	H	α-helix	trans	-59.4	-44.2	175.5	-69.9	-22.3	0	0	0	111.7	A283 A284 Y289 Q290 W291	A283-N287 VanDerWaalsContact O-CG 3.28Å; A283-N287 PolarHBondContact O-N 3.28Å; A283-N287 PolarHBondContact O-ND2 2.86Å; A284-N287 PolarHBondContact O-N 2.91Å; N287-Y289 VanDerWaalsContact C-N 3.32Å; N287-Y289 PolarHBondContact O-N 3.41Å; N287-Q290 PolarHBondContact O-N 3.42Å; N287-W291 PolarHBondContact O-N 3.12Å; N287-W291 VanDerWaalsContact O-N 3.12Å
288	K	98.6	Very high	96.9	Very high	17 Å²	17	60.5 Å²	60.5	7%	0.074	32%	0.322	C	S	.	.	H	α-helix	trans	-64.2	-38.2	176.4	-165.7	69	171	-171.7	0	111.6	L231 L272 A284 R285 E286 W291 V292 E309 Y313	L231-K288 HydrophobicContact CD2-CG 4.29Å; L272-K288 HydrophobicContact CD1-CB 4.47Å; L272-K288 HydrophobicContact CD1-CG 4.18Å; L272-K288 HydrophobicContact CD2-CB 4.31Å; L272-K288 HydrophobicContact CD2-CG 4.44Å; A284-K288 WeakPolarHBondContact O-CB 3.42Å; A284-K288 PolarHBondContact O-N 3.34Å; R285-K288 PolarHBondContact O-N 3.47Å; E286-K288 VanDerWaalsContact C-N 3.33Å; E286-K288 PolarHBondContact O-N 3.18Å; K288-W291 HydrophobicContact CD-CE3 4.23Å; K288-W291 PolarHBondContact O-N 3.11Å; K288-V292 WeakPolarHBondContact O-CG2 3.44Å; K288-V292 PolarHBondContact O-N 3.28Å; K288-E309 IonicContact NZ-OE1 3.89Å; K288-E309 PolarHBondContact NZ-OE1 3.49Å; K288-E309 IonicContact NZ-OE2 3.12Å; K288-Y313 HydrophobicContact CB-CD1 3.98Å; K288-Y313 HydrophobicContact CB-CE1 3.96Å; K288-Y313 HydrophobicContact CB-CG 4.44Å; K288-Y313 HydrophobicContact CD-CE1 3.82Å; K288-Y313 VanDerWaalsContact CE-OH 3.23Å; K288-Y313 WeakPolarHBondContact CE-OH 3.47Å; K288-Y313 HydrophobicContact CG-CD1 4.17Å; K288-Y313 HydrophobicContact CG-CE1 3.67Å; K288-Y313 HydrophobicContact CG-CE2 4.18Å
289	Y	98.6	Very high	96.9	Very high	44 Å²	44	67 Å²	67	17%	0.173	35%	0.349	C	S	.	.	H	α-helix	trans	-62.8	-45	176.9	-176.4	-119.7	0	0	0	112.6	E269 L272 M273 R285 E286 N287 W291 V292 L293	E269-Y289 HydrophobicContact CG-CE2 4.05Å; L272-Y289 HydrophobicContact CB-CD2 3.72Å; L272-Y289 HydrophobicContact CB-CG 4.35Å; L272-Y289 HydrophobicContact CD1-CD2 4.23Å; M273-Y289 HydrophobicContact CG-CE2 3.92Å; R285-Y289 WeakPolarHBondContact O-CB 3.48Å; R285-Y289 PolarHBondContact O-N 3.15Å; E286-Y289 WeakPolarHBondContact O-CB 3.37Å; E286-Y289 PolarHBondContact O-N 3.31Å; E286-Y289 VanDerWaalsContact O-N 3.15Å; N287-Y289 VanDerWaalsContact C-N 3.32Å; N287-Y289 PolarHBondContact O-N 3.41Å; Y289-W291 VanDerWaalsContact C-N 3.32Å; Y289-W291 PolarHBondContact O-N 2.99Å; Y289-V292 PolarHBondContact O-N 3.19Å; Y289-L293 HydrophobicContact CD1-CD1 4.12Å; Y289-L293 HydrophobicContact CD2-CG 4.47Å; Y289-L293 HydrophobicContact CE1-CD1 3.65Å; Y289-L293 HydrophobicContact CE1-CG 4.24Å; Y289-L293 HydrophobicContact CE2-CD1 4.42Å; Y289-L293 HydrophobicContact CE2-CD2 4.1Å; Y289-L293 HydrophobicContact CE2-CG 4.14Å; Y289-L293 WeakPolarHBondContact O-CG 3.28Å; Y289-L293 PolarHBondContact O-N 2.9Å
290	Q	98.5	Very high	97.1	Very high	101 Å²	101	67.4 Å²	67.4	47%	0.472	35%	0.352	S	S	.	.	H	α-helix	trans	-61.2	-41.4	175.1	-63.1	-54.6	-39	0	0	112	E286 N287 L293 Q294	E286-Q290 WeakPolarHBondContact O-CG 3.44Å; E286-Q290 PolarHBondContact O-N 2.97Å; E286-Q290 PolarHBondContact OE1-NE2 3.41Å; N287-Q290 PolarHBondContact O-N 3.42Å; Q290-L293 PolarHBondContact O-N 3.11Å; Q290-Q294 PolarHBondContact O-N 3.44Å; Q290-Q294 VanDerWaalsContact O-N 3.11Å
291	W	98.4	Very high	97.2	Very high	84 Å²	84	63.8 Å²	63.8	32%	0.318	33%	0.329	S	S	.	.	H	α-helix	trans	-61.7	-45.4	173.7	177.4	88.8	0	0	0	112	L231 N287 K288 Y289 L293 Q294 Q295 T302	L231-W291 HydrophobicContact CD1-CZ3 4.44Å; N287-W291 PolarHBondContact O-N 3.12Å; N287-W291 VanDerWaalsContact O-N 3.12Å; K288-W291 HydrophobicContact CD-CE3 4.23Å; K288-W291 PolarHBondContact O-N 3.11Å; Y289-W291 VanDerWaalsContact C-N 3.32Å; Y289-W291 PolarHBondContact O-N 2.99Å; W291-L293 PolarHBondContact O-N 2.84Å; W291-Q294 WeakPolarHBondContact O-CB 3.4Å; W291-Q294 PolarHBondContact O-N 3.41Å; W291-Q295 HydrophobicContact CD2-CG 3.88Å; W291-Q295 HydrophobicContact CE3-CG 4.08Å; W291-Q295 HydrophobicContact CH2-CG 3.76Å; W291-Q295 HydrophobicContact CZ2-CG 3.52Å; W291-Q295 HydrophobicContact CZ3-CG 4.03Å; W291-Q295 WeakPolarHBondContact O-CG 3.48Å; W291-Q295 PolarHBondContact O-N 2.9Å; W291-T302 WeakPolarHBondContact CH2-O 3.47Å; W291-T302 HydrophobicContact CZ3-CG2 4.36Å; W291-T302 WeakPolarHBondContact CZ3-O 3.37Å
292	V	98.3	Very high	97.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.8	-48.4	177	164.6	0	0	0	0	110.6	L231 A268 E269 L272 K288 Y289 Q294 Q295 R296 T302	L231-V292 HydrophobicContact CD1-CG2 4.4Å; L231-V292 HydrophobicContact CD2-CG2 4.46Å; A268-V292 HydrophobicContact CB-CG1 3.98Å; A268-V292 HydrophobicContact CB-CG2 3.93Å; E269-V292 HydrophobicContact CB-CG1 4.12Å; L272-V292 HydrophobicContact CD1-CB 4.07Å; L272-V292 HydrophobicContact CD1-CG2 3.59Å; K288-V292 WeakPolarHBondContact O-CG2 3.44Å; K288-V292 PolarHBondContact O-N 3.28Å; Y289-V292 PolarHBondContact O-N 3.19Å; V292-Q294 VanDerWaalsContact C-N 3.26Å; V292-Q294 PolarHBondContact O-N 2.88Å; V292-Q295 PolarHBondContact O-N 3.02Å; V292-Q295 VanDerWaalsContact O-N 3.11Å; V292-R296 HydrophobicContact CG1-CG 3.93Å; V292-R296 WeakPolarHBondContact O-CB 3.46Å; V292-R296 VanDerWaalsContact O-CG 3.28Å; V292-R296 WeakPolarHBondContact O-CG 3.28Å; V292-R296 PolarHBondContact O-N 3.48Å; V292-T302 HydrophobicContact CB-CG2 4.44Å; V292-T302 HydrophobicContact CG1-CG2 4.03Å; V292-T302 HydrophobicContact CG2-CG2 4.11Å
293	L	98.3	Very high	97.2	Very high	58 Å²	58	54.3 Å²	54.3	30%	0.304	29%	0.285	S	S	.	.	H	α-helix	trans	-57.3	-39.9	177.6	-70	179.9	0	0	0	112.1	E269 Y289 Q290 W291 G297	E269-L293 HydrophobicContact CG-CD2 4.23Å; Y289-L293 HydrophobicContact CD1-CD1 4.12Å; Y289-L293 HydrophobicContact CD2-CG 4.47Å; Y289-L293 HydrophobicContact CE1-CD1 3.65Å; Y289-L293 HydrophobicContact CE1-CG 4.24Å; Y289-L293 HydrophobicContact CE2-CD1 4.42Å; Y289-L293 HydrophobicContact CE2-CD2 4.1Å; Y289-L293 HydrophobicContact CE2-CG 4.14Å; Y289-L293 WeakPolarHBondContact O-CG 3.28Å; Y289-L293 PolarHBondContact O-N 2.9Å; Q290-L293 PolarHBondContact O-N 3.11Å; W291-L293 PolarHBondContact O-N 2.84Å; L293-G297 PolarHBondContact O-N 3.1Å
294	Q	97.9	Very high	97.2	Very high	118 Å²	118	52.6 Å²	52.6	55%	0.551	27%	0.268	S	S	*	.	H	α-helix	trans	-64.8	-43.7	175.9	-172.3	-176.2	19.3	0	0	112.5	Q290 W291 V292 Q298	Q290-Q294 PolarHBondContact O-N 3.44Å; Q290-Q294 VanDerWaalsContact O-N 3.11Å; W291-Q294 WeakPolarHBondContact O-CB 3.4Å; W291-Q294 PolarHBondContact O-N 3.41Å; V292-Q294 VanDerWaalsContact C-N 3.26Å; V292-Q294 PolarHBondContact O-N 2.88Å; Q294-Q298 PolarHBondContact O-NE2 3.18Å
295	Q	97.5	Very high	97.2	Very high	21 Å²	21	51.4 Å²	51.4	10%	0.098	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-50	176.6	-64.1	-47.6	-55.7	0	0	110.8	W291 V292 G297 Q298 K299 L300 T302	W291-Q295 HydrophobicContact CD2-CG 3.88Å; W291-Q295 HydrophobicContact CE3-CG 4.08Å; W291-Q295 HydrophobicContact CH2-CG 3.76Å; W291-Q295 HydrophobicContact CZ2-CG 3.52Å; W291-Q295 HydrophobicContact CZ3-CG 4.03Å; W291-Q295 WeakPolarHBondContact O-CG 3.48Å; W291-Q295 PolarHBondContact O-N 2.9Å; V292-Q295 PolarHBondContact O-N 3.02Å; V292-Q295 VanDerWaalsContact O-N 3.11Å; Q295-G297 VanDerWaalsContact C-N 3.34Å; Q295-G297 PolarHBondContact O-N 3.19Å; Q295-Q298 CarbonylContact O-C 3.55Å; Q295-Q298 WeakPolarHBondContact O-CA 3.47Å; Q295-Q298 PolarHBondContact O-N 3.15Å; Q295-K299 PolarHBondContact O-N 3.3Å; Q295-K299 VanDerWaalsContact O-N 3.15Å; Q295-L300 HydrophobicContact CB-CB 4.14Å; Q295-L300 PolarHBondContact O-N 3.24Å; Q295-T302 HydrophobicContact CB-CG2 4.29Å
296	R	96.2	Very high	97.3	Very high	55 Å²	55	52.5 Å²	52.5	21%	0.208	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-36.3	-178	-62.8	-43.7	-58.7	169.1	-10.6	112.4	S83 E266 V292 Q298 K299 L300 T302	S83-R296 PolarHBondContact OG-NH1 3.47Å; S83-R296 PolarHBondContact OG-NH2 3.15Å; E266-R296 VanDerWaalsContact CD-NH1 3.34Å; E266-R296 IonicContact OE2-CZ 3.17Å; E266-R296 IonicContact OE2-NH1 2.86Å; E266-R296 PolarHBondContact OE2-NH1 3.15Å; E266-R296 VanDerWaalsContact OE2-NH1 3.12Å; V292-R296 HydrophobicContact CG1-CG 3.93Å; V292-R296 WeakPolarHBondContact O-CB 3.46Å; V292-R296 VanDerWaalsContact O-CG 3.28Å; V292-R296 WeakPolarHBondContact O-CG 3.28Å; V292-R296 PolarHBondContact O-N 3.48Å; R296-Q298 PolarHBondContact O-N 3.24Å; R296-K299 WeakPolarHBondContact O-CA 3.45Å; R296-K299 PolarHBondContact O-N 3.26Å; R296-L300 PolarHBondContact NH1-O 3.43Å; R296-T302 HydrophobicContact CG-CG2 4.12Å
297	G	96.5	Very high	97.3	Very high	68 Å²	68	49.1 Å²	49.1	70%	0.701	25%	0.25	S	S	*	.	H	α-helix	trans	-58.3	-27.1	172.5	0	0	0	0	0	113.6	L293 Q295	L293-G297 PolarHBondContact O-N 3.1Å; Q295-G297 VanDerWaalsContact C-N 3.34Å; Q295-G297 PolarHBondContact O-N 3.19Å
298	Q	95.7	Very high	97.3	Very high	104 Å²	104	44.1 Å²	44.1	49%	0.486	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	5.2	175.2	-64.3	176.1	68.1	0	0	113.3	Q294 Q295 R296 L300	Q294-Q298 PolarHBondContact O-NE2 3.18Å; Q295-Q298 CarbonylContact O-C 3.55Å; Q295-Q298 WeakPolarHBondContact O-CA 3.47Å; Q295-Q298 PolarHBondContact O-N 3.15Å; R296-Q298 PolarHBondContact O-N 3.24Å; Q298-L300 HydrophobicContact CB-CD1 3.95Å; Q298-L300 HydrophobicContact CB-CG 3.87Å; Q298-L300 PolarHBondContact O-N 3.4Å
299	K	95.3	Very high	97.3	Very high	140 Å²	140	46.4 Å²	46.4	61%	0.609	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	28.8	-171.9	-54.2	-176.5	176.8	-175.6	0	113.5	S83 R84 Q295 R296	S83-K299 CarbonylContact C-O 3.57Å; S83-K299 WeakPolarHBondContact CA-O 3.44Å; R84-K299 PolarHBondContact N-O 2.96Å; Q295-K299 PolarHBondContact O-N 3.3Å; Q295-K299 VanDerWaalsContact O-N 3.15Å; R296-K299 WeakPolarHBondContact O-CA 3.45Å; R296-K299 PolarHBondContact O-N 3.26Å
300	L	96.1	Very high	97.3	Very high	25 Å²	25	44.3 Å²	44.3	13%	0.131	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-82.5	149	176	-62.1	173.6	0	0	0	110.7	R84 Q86 Q295 R296 Q298	R84-L300 HydrophobicContact CB-CD2 4.22Å; Q86-L300 HydrophobicContact CG-CD2 4.29Å; Q295-L300 HydrophobicContact CB-CB 4.14Å; Q295-L300 PolarHBondContact O-N 3.24Å; R296-L300 PolarHBondContact NH1-O 3.43Å; Q298-L300 HydrophobicContact CB-CD1 3.95Å; Q298-L300 HydrophobicContact CB-CG 3.87Å; Q298-L300 PolarHBondContact O-N 3.4Å
301	C	95.2	Very high	97.3	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.014	22%	0.219	C	C	.	.			trans	-60	140.1	171	-174.6	0	0	0	0	110.6	R84 Y105 S303	R84-C301 PolarHBondContact O-N 2.94Å; Y105-C301 HydrophobicContact CE1-CB 4.47Å; Y105-C301 WeakPolarHBondContact OH-CA 3.25Å; Y105-C301 PolarHBondContact OH-SG 3.28Å; Y105-C301 VanDerWaalsContact OH-SG 3.41Å; C301-S303 VanDerWaalsContact C-N 3.33Å; C301-S303 PolarHBondContact SG-N 2.79Å; C301-S303 PolarHBondContact SG-O 2.99Å
302	T	96.5	Very high	97.3	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	23%	0.228	C	C	.	.			trans	-90.9	1.1	174.2	63.1	0	0	0	0	113.4	L231 E266 A268 W291 V292 Q295 R296	L231-T302 WeakPolarHBondContact CD1-O 3.48Å; E266-T302 VanDerWaalsContact CD-OG1 3.23Å; E266-T302 WeakPolarHBondContact OE1-CB 3.5Å; E266-T302 WeakPolarHBondContact OE1-CG2 3.42Å; E266-T302 PolarHBondContact OE1-OG1 3.21Å; E266-T302 PolarHBondContact OE2-N 3.12Å; E266-T302 PolarHBondContact OE2-OG1 3.16Å; A268-T302 HydrophobicContact CB-CG2 4.03Å; A268-T302 WeakPolarHBondContact CB-OG1 3.27Å; W291-T302 WeakPolarHBondContact CH2-O 3.47Å; W291-T302 HydrophobicContact CZ3-CG2 4.36Å; W291-T302 WeakPolarHBondContact CZ3-O 3.37Å; V292-T302 HydrophobicContact CB-CG2 4.44Å; V292-T302 HydrophobicContact CG1-CG2 4.03Å; V292-T302 HydrophobicContact CG2-CG2 4.11Å; Q295-T302 HydrophobicContact CB-CG2 4.29Å; R296-T302 HydrophobicContact CG-CG2 4.12Å
303	S	94.8	Very high	97.3	Very high	8 Å²	8	43.6 Å²	43.6	6%	0.056	23%	0.229	C	C	.	.			trans	-104.3	146.6	178.2	-52.1	0	0	0	0	111.5	P263 C301	P263-S303 VanDerWaalsContact CD-OG 3.23Å; P263-S303 WeakPolarHBondContact CD-OG 3.26Å; P263-S303 VanDerWaalsContact CG-OG 3.31Å; P263-S303 WeakPolarHBondContact CG-OG 3.26Å; C301-S303 VanDerWaalsContact C-N 3.33Å; C301-S303 PolarHBondContact SG-N 2.79Å; C301-S303 PolarHBondContact SG-O 2.99Å
304	P	97.3	Very high	97.3	Very high	30 Å²	30	40.9 Å²	40.9	20%	0.195	21%	0.214	C	C	.	.			cis	-86.9	156.2	2.9	35.3	-31.9	0	0	0	113.1	M88 L260 L261 W262	M88-P304 HydrophobicContact CE-CG 3.55Å; M88-P304 HydrophobicContact SD-CG 4.17Å; L260-P304 HydrophobicContact CB-CB 4.16Å; L261-P304 WeakPolarHBondContact O-CA 3.43Å; L261-P304 VanDerWaalsContact O-CB 3.29Å; L261-P304 WeakPolarHBondContact O-CB 3.5Å; W262-P304 HydrophobicContact CD2-CB 3.84Å; W262-P304 HydrophobicContact CD2-CG 4.46Å; W262-P304 HydrophobicContact CE3-CB 3.92Å; W262-P304 HydrophobicContact CE3-CG 4.36Å; W262-P304 HydrophobicContact CH2-CB 3.97Å; W262-P304 VanDerWaalsContact CH2-CD 3.42Å; W262-P304 HydrophobicContact CH2-CG 3.52Å; W262-P304 HydrophobicContact CZ2-CB 3.83Å; W262-P304 HydrophobicContact CZ2-CG 3.57Å; W262-P304 HydrophobicContact CZ3-CB 3.99Å; W262-P304 VanDerWaalsContact CZ3-CD 3.48Å; W262-P304 HydrophobicContact CZ3-CG 3.91Å
305	S	97.7	Very high	97.3	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-174.8	153.5	58.3	0	0	0	0	109.5	L260 L261 E310	L260-S305 CarbonylContact C-O 3.47Å; L260-S305 WeakPolarHBondContact CA-O 3.46Å; L261-S305 PolarHBondContact N-O 3.09Å; L261-S305 PolarHBondContact O-N 3.07Å; S305-E310 VanDerWaalsContact CB-OE1 3.31Å; S305-E310 WeakPolarHBondContact CB-OE1 3.35Å; S305-E310 PolarHBondContact OG-OE1 3.02Å
306	T	98.7	Very high	97.4	Very high	35 Å²	35	34.3 Å²	34.3	22%	0.215	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	155.2	169.5	69.8	0	0	0	0	112.3	D257 T259 L260 G308 E309 E310	D257-T306 WeakPolarHBondContact O-CB 3.49Å; T259-T306 CarbonylContact O-C 3.55Å; T259-T306 VanDerWaalsContact O-CA 3.27Å; T259-T306 WeakPolarHBondContact O-CA 3.34Å; L260-T306 HydrophobicContact CD2-CG2 4.08Å; T306-G308 PolarHBondContact O-N 3.4Å; T306-E309 PolarHBondContact N-OE2 3.39Å; T306-E309 WeakPolarHBondContact O-CB 3.35Å; T306-E309 PolarHBondContact O-N 3.45Å; T306-E309 WeakPolarHBondContact OG1-CB 3.27Å; T306-E309 VanDerWaalsContact OG1-CG 3.28Å; T306-E309 WeakPolarHBondContact OG1-CG 3.27Å; T306-E309 PolarHBondContact OG1-N 2.93Å; T306-E309 VanDerWaalsContact OG1-N 3.11Å; T306-E309 PolarHBondContact OG1-OE2 2.94Å; T306-E310 WeakPolarHBondContact O-CG 3.18Å; T306-E310 PolarHBondContact O-N 3.01Å
307	I	98.8	Very high	97.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-35.2	174.9	-64.8	-54.4	0	0	0	111.6	L223 V252 L255 T259 L261 E310 K311	L223-I307 HydrophobicContact CD2-CD1 4.25Å; V252-I307 HydrophobicContact CG1-CD1 3.56Å; L255-I307 HydrophobicContact CB-CG1 4.44Å; L255-I307 HydrophobicContact CB-CG2 4.5Å; T259-I307 HydrophobicContact CG2-CG1 4.11Å; T259-I307 PolarHBondContact O-N 3.4Å; L261-I307 HydrophobicContact CB-CD1 4.33Å; L261-I307 HydrophobicContact CD1-CD1 4.32Å; I307-E310 PolarHBondContact O-N 2.98Å; I307-K311 HydrophobicContact CG2-CD 4.42Å; I307-K311 WeakPolarHBondContact O-CG 3.36Å; I307-K311 PolarHBondContact O-N 3.1Å; I307-K311 VanDerWaalsContact O-N 3.11Å
308	G	98.7	Very high	97.5	Very high	13 Å²	13	31 Å²	31	13%	0.134	15%	0.151	C	C	.	.	H	α-helix	trans	-60.7	-50.6	173.9	0	0	0	0	0	112	D257 T306 E310 K311	D257-G308 PolarHBondContact O-N 3.31Å; T306-G308 PolarHBondContact O-N 3.4Å; G308-E310 PolarHBondContact O-N 2.87Å; G308-K311 WeakPolarHBondContact O-CB 3.42Å; G308-K311 PolarHBondContact O-N 3.04Å
309	E	98.5	Very high	97.6	Very high	64 Å²	64	26 Å²	26	30%	0.299	13%	0.128	S	C	.	.	H	α-helix	trans	-56.8	-46.7	174.9	-79.5	-178.8	102.8	0	0	112	K288 T306 K311 E312 Y313	K288-E309 IonicContact NZ-OE1 3.89Å; K288-E309 PolarHBondContact NZ-OE1 3.49Å; K288-E309 IonicContact NZ-OE2 3.12Å; T306-E309 PolarHBondContact N-OE2 3.39Å; T306-E309 WeakPolarHBondContact O-CB 3.35Å; T306-E309 PolarHBondContact O-N 3.45Å; T306-E309 WeakPolarHBondContact OG1-CB 3.27Å; T306-E309 VanDerWaalsContact OG1-CG 3.28Å; T306-E309 WeakPolarHBondContact OG1-CG 3.27Å; T306-E309 PolarHBondContact OG1-N 2.93Å; T306-E309 VanDerWaalsContact OG1-N 3.11Å; T306-E309 PolarHBondContact OG1-OE2 2.94Å; E309-K311 VanDerWaalsContact C-N 3.27Å; E309-K311 PolarHBondContact O-N 3.34Å; E309-E312 WeakPolarHBondContact O-CB 3.44Å; E309-E312 PolarHBondContact O-N 3.02Å; E309-Y313 HydrophobicContact CB-CE1 3.73Å; E309-Y313 WeakPolarHBondContact O-CD1 3.47Å; E309-Y313 WeakPolarHBondContact O-CE1 3.41Å; E309-Y313 PolarHBondContact O-N 3.18Å
310	E	98.8	Very high	97.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.8	-34.2	-179.3	-65	-66.7	148.3	0	0	112.1	L231 S232 L261 S305 T306 I307 G308 E312 Y313 N314 L317	L231-E310 WeakPolarHBondContact CA-OE1 3.44Å; L231-E310 WeakPolarHBondContact CG-OE1 3.04Å; S232-E310 PolarHBondContact N-OE2 3.4Å; L261-E310 HydrophobicContact CD2-CG 3.71Å; S305-E310 VanDerWaalsContact CB-OE1 3.31Å; S305-E310 WeakPolarHBondContact CB-OE1 3.35Å; S305-E310 PolarHBondContact OG-OE1 3.02Å; T306-E310 WeakPolarHBondContact O-CG 3.18Å; T306-E310 PolarHBondContact O-N 3.01Å; I307-E310 PolarHBondContact O-N 2.98Å; G308-E310 PolarHBondContact O-N 2.87Å; E310-E312 PolarHBondContact O-N 2.88Å; E310-Y313 PolarHBondContact O-N 3.46Å; E310-Y313 PolarHBondContact OE1-OH 3.26Å; E310-Y313 WeakPolarHBondContact OE2-CE2 3.46Å; E310-N314 HydrophobicContact CB-CB 4.17Å; E310-N314 WeakPolarHBondContact O-CA 3.42Å; E310-N314 WeakPolarHBondContact O-CB 3.27Å; E310-N314 PolarHBondContact O-N 2.74Å; E310-N314 WeakPolarHBondContact OE2-CB 3.47Å; E310-N314 PolarHBondContact OE2-ND2 3.21Å; E310-L317 HydrophobicContact CB-CD1 3.55Å
311	K	98.5	Very high	97.5	Very high	58 Å²	58	23.5 Å²	23.5	25%	0.252	12%	0.118	S	C	.	.	H	α-helix	trans	-63.6	-22.1	174.4	-71	166.7	-178.4	172.4	0	112.7	G253 L255 D257 I307 G308 E309 R318	G253-K311 WeakPolarHBondContact O-CE 3.47Å; G253-K311 PolarHBondContact O-NZ 2.94Å; L255-K311 PolarHBondContact O-NZ 3.37Å; D257-K311 IonicContact OD1-NZ 2.76Å; D257-K311 PolarHBondContact OD1-NZ 3.37Å; I307-K311 HydrophobicContact CG2-CD 4.42Å; I307-K311 WeakPolarHBondContact O-CG 3.36Å; I307-K311 PolarHBondContact O-N 3.1Å; I307-K311 VanDerWaalsContact O-N 3.11Å; G308-K311 WeakPolarHBondContact O-CB 3.42Å; G308-K311 PolarHBondContact O-N 3.04Å; E309-K311 VanDerWaalsContact C-N 3.27Å; E309-K311 PolarHBondContact O-N 3.34Å; K311-R318 WeakPolarHBondContact O-CD 3.48Å; K311-R318 WeakPolarHBondContact O-CG 3.3Å
312	E	98.2	Very high	97.4	Very high	109 Å²	109	26.6 Å²	26.6	51%	0.509	14%	0.14	S	C	.	.	H	α-helix	trans	-82.3	-36.5	179.4	-61.1	-173.8	171.6	0	0	113.3	N282 A284 E309 E310 R318	N282-E312 PolarHBondContact ND2-O 3.46Å; A284-E312 HydrophobicContact CB-CB 3.82Å; E309-E312 WeakPolarHBondContact O-CB 3.44Å; E309-E312 PolarHBondContact O-N 3.02Å; E310-E312 PolarHBondContact O-N 2.88Å; E312-R318 WeakPolarHBondContact O-CD 3.33Å
313	Y	97.9	Very high	97.3	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-126.8	-13.7	-172.9	57.1	-109.4	0	0	0	116.3	L231 L272 R285 K288 E309 E310 P315	L231-Y313 HydrophobicContact CD2-CE2 4.01Å; L231-Y313 HydrophobicContact CG-CE2 4.46Å; L272-Y313 HydrophobicContact CD2-CD2 4.14Å; R285-Y313 VanDerWaalsContact CA-CB 3.49Å; K288-Y313 HydrophobicContact CB-CD1 3.98Å; K288-Y313 HydrophobicContact CB-CE1 3.96Å; K288-Y313 HydrophobicContact CB-CG 4.44Å; K288-Y313 HydrophobicContact CD-CE1 3.82Å; K288-Y313 VanDerWaalsContact CE-OH 3.23Å; K288-Y313 WeakPolarHBondContact CE-OH 3.47Å; K288-Y313 HydrophobicContact CG-CD1 4.17Å; K288-Y313 HydrophobicContact CG-CE1 3.67Å; K288-Y313 HydrophobicContact CG-CE2 4.18Å; E309-Y313 HydrophobicContact CB-CE1 3.73Å; E309-Y313 WeakPolarHBondContact O-CD1 3.47Å; E309-Y313 WeakPolarHBondContact O-CE1 3.41Å; E309-Y313 PolarHBondContact O-N 3.18Å; E310-Y313 PolarHBondContact O-N 3.46Å; E310-Y313 PolarHBondContact OE1-OH 3.26Å; E310-Y313 WeakPolarHBondContact OE2-CE2 3.46Å; Y313-P315 VanDerWaalsContact O-CD 3.26Å; Y313-P315 WeakPolarHBondContact O-CD 3.38Å
314	N	98.7	Very high	97.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.			trans	-82.4	110.8	-179.5	-169.4	-29.9	0	0	0	109.5	F230 S232 G233 E310 F316 L317 R318	F230-N314 PolarHBondContact O-ND2 3.32Å; F230-N314 VanDerWaalsContact O-ND2 3.11Å; S232-N314 VanDerWaalsContact C-CG 3.41Å; S232-N314 WeakPolarHBondContact CA-ND2 3.33Å; G233-N314 PolarHBondContact N-ND2 2.96Å; G233-N314 PolarHBondContact N-OD1 3.28Å; G233-N314 PolarHBondContact O-ND2 3.01Å; E310-N314 HydrophobicContact CB-CB 4.17Å; E310-N314 WeakPolarHBondContact O-CA 3.42Å; E310-N314 WeakPolarHBondContact O-CB 3.27Å; E310-N314 PolarHBondContact O-N 2.74Å; E310-N314 WeakPolarHBondContact OE2-CB 3.47Å; E310-N314 PolarHBondContact OE2-ND2 3.21Å; N314-F316 PolarHBondContact O-N 3.45Å; N314-F316 WeakPolarHBondContact OD1-CB 3.35Å; N314-F316 WeakPolarHBondContact OD1-CD2 3.31Å; N314-F316 PolarHBondContact OD1-N 3.19Å; N314-L317 HydrophobicContact CB-CB 4.38Å; N314-L317 HydrophobicContact CB-CG 4.34Å; N314-L317 PolarHBondContact O-N 3.22Å; N314-R318 WeakPolarHBondContact O-CG 3.25Å; N314-R318 PolarHBondContact O-N 2.84Å
315	P	98.4	Very high	97.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.9	-175.8	27.5	-35.9	0	0	0	112	F274 A275 V278 Y313 R318 L324 L349	F274-P315 HydrophobicContact CE1-CG 4.47Å; A275-P315 HydrophobicContact CB-CG 4.13Å; V278-P315 HydrophobicContact CG2-CB 3.93Å; V278-P315 HydrophobicContact CG2-CG 4.27Å; Y313-P315 VanDerWaalsContact O-CD 3.26Å; Y313-P315 WeakPolarHBondContact O-CD 3.38Å; P315-R318 PolarHBondContact O-N 3.25Å; P315-L324 HydrophobicContact CB-CD1 4.33Å; P315-L324 VanDerWaalsContact O-CD2 3.3Å; P315-L324 WeakPolarHBondContact O-CD2 3.07Å; P315-L349 HydrophobicContact CB-CD1 4.18Å; P315-L349 HydrophobicContact CB-CD2 3.85Å; P315-L349 HydrophobicContact CG-CD2 4.36Å; P315-L349 WeakPolarHBondContact O-CD2 3.35Å
316	F	98.6	Very high	97	Very high	2 Å²	2	38 Å²	38	1%	0.009	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.5	177.1	-59.3	-83.8	0	0	0	113.9	C234 L249 F274 N314 I319 L346 L349 R350 K353	C234-F316 HydrophobicContact CB-CB 3.91Å; C234-F316 HydrophobicContact CB-CD1 4.04Å; C234-F316 HydrophobicContact CB-CD2 4.16Å; C234-F316 HydrophobicContact CB-CG 3.76Å; C234-F316 WeakPolarHBondContact SG-CD1 3.49Å; C234-F316 WeakPolarHBondContact SG-CE1 3.48Å; L249-F316 HydrophobicContact CD1-CB 4.42Å; F274-F316 HydrophobicContact CE1-CE2 4.28Å; F274-F316 HydrophobicContact CE1-CZ 4.19Å; N314-F316 PolarHBondContact O-N 3.45Å; N314-F316 WeakPolarHBondContact OD1-CB 3.35Å; N314-F316 WeakPolarHBondContact OD1-CD2 3.31Å; N314-F316 PolarHBondContact OD1-N 3.19Å; F316-I319 WeakPolarHBondContact O-CD1 3.28Å; F316-I319 WeakPolarHBondContact O-CG1 3.47Å; F316-L346 HydrophobicContact CD1-CD1 3.67Å; F316-L346 HydrophobicContact CE1-CD1 4.2Å; F316-L349 HydrophobicContact CD1-CD2 3.5Å; F316-L349 HydrophobicContact CD1-CG 4.12Å; F316-L349 HydrophobicContact CD2-CD2 4.31Å; F316-L349 HydrophobicContact CE1-CB 4.29Å; F316-L349 HydrophobicContact CE1-CD2 3.58Å; F316-L349 HydrophobicContact CE1-CG 3.65Å; F316-L349 HydrophobicContact CE2-CD2 4.37Å; F316-L349 HydrophobicContact CG-CD2 3.91Å; F316-L349 HydrophobicContact CZ-CD2 4.02Å; F316-L349 HydrophobicContact CZ-CG 3.9Å; F316-R350 HydrophobicContact CE1-CB 4.35Å; F316-K353 HydrophobicContact CE2-CD 3.61Å; F316-K353 HydrophobicContact CZ-CB 4.22Å; F316-K353 HydrophobicContact CZ-CD 3.61Å
317	L	98.4	Very high	96.8	Very high	14 Å²	14	38.7 Å²	38.7	7%	0.073	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-7.7	167.9	-61.1	-170.7	0	0	0	112.3	V229 L249 E310 N314 H320	V229-L317 HydrophobicContact CG2-CD2 4.49Å; L249-L317 HydrophobicContact CB-CD2 4.49Å; L249-L317 HydrophobicContact CD2-CD2 4.17Å; E310-L317 HydrophobicContact CB-CD1 3.55Å; N314-L317 HydrophobicContact CB-CB 4.38Å; N314-L317 HydrophobicContact CB-CG 4.34Å; N314-L317 PolarHBondContact O-N 3.22Å; L317-H320 PolarHBondContact O-CE1 3.04Å; L317-H320 PolarHBondContact O-ND1 3.32Å
318	R	97.9	Very high	96.6	Very high	38 Å²	38	39 Å²	39	14%	0.143	20%	0.2	C	C	.	.			trans	-102.1	17.6	178.8	-64.6	172.4	57.4	68.8	6.3	113.5	E279 K311 E312 N314 P315 H320 S321 E323 L324	E279-R318 IonicContact OE1-CZ 3.62Å; E279-R318 VanDerWaalsContact OE1-CZ 3.26Å; E279-R318 IonicContact OE1-NE 3.57Å; E279-R318 PolarHBondContact OE1-NE 3Å; E279-R318 IonicContact OE1-NH2 2.71Å; E279-R318 PolarHBondContact OE1-NH2 3.28Å; E279-R318 IonicContact OE2-NE 3.49Å; E279-R318 PolarHBondContact OE2-NE 3.47Å; E279-R318 VanDerWaalsContact OE2-NE 3.17Å; K311-R318 WeakPolarHBondContact O-CD 3.48Å; K311-R318 WeakPolarHBondContact O-CG 3.3Å; E312-R318 WeakPolarHBondContact O-CD 3.33Å; N314-R318 WeakPolarHBondContact O-CG 3.25Å; N314-R318 PolarHBondContact O-N 2.84Å; P315-R318 PolarHBondContact O-N 3.25Å; R318-H320 PolarHBondContact O-N 2.87Å; R318-S321 VanDerWaalsContact O-CB 3.26Å; R318-S321 WeakPolarHBondContact O-CB 3.28Å; R318-S321 PolarHBondContact O-N 2.94Å; R318-E323 IonicContact NH2-OE2 2.77Å; R318-E323 PolarHBondContact NH2-OE2 3.01Å; R318-L324 HydrophobicContact CB-CD2 4.43Å; R318-L324 WeakPolarHBondContact O-CD2 3.2Å
319	I	96.4	Very high	96.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-19	-179.5	-66.2	160.1	0	0	0	113.3	L246 L249 F316 H325 R342 V345 L346	L246-I319 HydrophobicContact CD1-CD1 4.06Å; L246-I319 HydrophobicContact CD1-CG2 4.21Å; L249-I319 HydrophobicContact CD1-CD1 3.94Å; F316-I319 WeakPolarHBondContact O-CD1 3.28Å; F316-I319 WeakPolarHBondContact O-CG1 3.47Å; I319-H325 PolarHBondContact O-NE2 2.94Å; I319-R342 HydrophobicContact CG2-CB 3.76Å; I319-R342 HydrophobicContact CG2-CG 4.09Å; I319-R342 VanDerWaalsContact CG2-O 3.25Å; I319-R342 WeakPolarHBondContact CG2-O 3.21Å; I319-V345 HydrophobicContact CG2-CB 4.11Å; I319-V345 HydrophobicContact CG2-CG1 3.96Å; I319-L346 HydrophobicContact CD1-CB 3.94Å; I319-L346 HydrophobicContact CD1-CD1 3.85Å; I319-L346 HydrophobicContact CD1-CD2 4.29Å; I319-L346 HydrophobicContact CD1-CG 4.24Å
320	H	94.9	Very high	96.4	Very high	103 Å²	103	39.7 Å²	39.7	48%	0.477	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-11.1	176.1	61.9	-85.6	0	0	0	113.7	L317 R318 W338	L317-H320 PolarHBondContact O-CE1 3.04Å; L317-H320 PolarHBondContact O-ND1 3.32Å; R318-H320 PolarHBondContact O-N 2.87Å; H320-W338 HydrophobicContact CB-CZ2 4.18Å
321	S	95	Very high	96.2	Very high	8 Å²	8	47.4 Å²	47.4	6%	0.056	25%	0.254	C	S	.	.			trans	-70.3	129.6	-177.1	159.3	0	0	0	0	111.4	R318 E323 L324 H325	R318-S321 VanDerWaalsContact O-CB 3.26Å; R318-S321 WeakPolarHBondContact O-CB 3.28Å; R318-S321 PolarHBondContact O-N 2.94Å; S321-E323 PolarHBondContact O-N 3.26Å; S321-E323 WeakPolarHBondContact OG-CB 3.5Å; S321-E323 PolarHBondContact OG-N 2.8Å; S321-E323 PolarHBondContact OG-OE2 3.3Å; S321-L324 PolarHBondContact O-N 3.25Å; S321-L324 PolarHBondContact OG-N 2.92Å; S321-H325 PolarHBondContact O-CD2 3.37Å; S321-H325 VanDerWaalsContact O-CD2 3.27Å; S321-H325 PolarHBondContact O-CE1 3.41Å; S321-H325 VanDerWaalsContact O-CG 3.26Å; S321-H325 PolarHBondContact O-N 2.76Å; S321-H325 VanDerWaalsContact O-N 3.1Å; S321-H325 PolarHBondContact O-ND1 3.47Å; S321-H325 PolarHBondContact O-NE2 3.33Å
322	S	94	Very high	96.1	Very high	68 Å²	68	49 Å²	49	48%	0.476	26%	0.262	S	S	.	.	H	α-helix	trans	-63.2	-30.9	170.8	51.4	0	0	0	0	112.7	L324 H325 Q326	S322-L324 VanDerWaalsContact C-N 3.35Å; S322-H325 PolarHBondContact O-N 2.75Å; S322-Q326 VanDerWaalsContact O-CG 3.27Å; S322-Q326 WeakPolarHBondContact O-CG 3.16Å; S322-Q326 PolarHBondContact O-N 2.85Å
323	E	92.4	Very high	95.8	Very high	108 Å²	108	48.7 Å²	48.7	51%	0.505	26%	0.264	S	S	.	.	H	α-helix	trans	-63.1	-44.7	175.5	-59.5	102.1	-163.8	0	0	110.6	R318 S321 Q326 A327	R318-E323 IonicContact NH2-OE2 2.77Å; R318-E323 PolarHBondContact NH2-OE2 3.01Å; S321-E323 PolarHBondContact O-N 3.26Å; S321-E323 WeakPolarHBondContact OG-CB 3.5Å; S321-E323 PolarHBondContact OG-N 2.8Å; S321-E323 PolarHBondContact OG-OE2 3.3Å; E323-Q326 PolarHBondContact O-N 3.27Å; E323-A327 WeakPolarHBondContact O-CB 3.18Å; E323-A327 PolarHBondContact O-N 2.84Å
324	L	95.1	Very high	95.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.6	-40.2	177.8	-175.5	65	0	0	0	111.4	V278 E279 P315 R318 S321 S322 Q326 A327 L328 L349	V278-L324 HydrophobicContact CB-CD1 4.17Å; V278-L324 HydrophobicContact CG2-CD1 4.23Å; E279-L324 HydrophobicContact CG-CD1 4.01Å; P315-L324 HydrophobicContact CB-CD1 4.33Å; P315-L324 VanDerWaalsContact O-CD2 3.3Å; P315-L324 WeakPolarHBondContact O-CD2 3.07Å; R318-L324 HydrophobicContact CB-CD2 4.43Å; R318-L324 WeakPolarHBondContact O-CD2 3.2Å; S321-L324 PolarHBondContact O-N 3.25Å; S321-L324 PolarHBondContact OG-N 2.92Å; S322-L324 VanDerWaalsContact C-N 3.35Å; L324-Q326 PolarHBondContact O-N 2.9Å; L324-A327 PolarHBondContact O-N 2.92Å; L324-L328 HydrophobicContact CD1-CD1 4.2Å; L324-L328 HydrophobicContact CD1-CG 4.31Å; L324-L328 HydrophobicContact CG-CD1 4Å; L324-L328 HydrophobicContact CG-CG 4.47Å; L324-L328 WeakPolarHBondContact O-CB 3.18Å; L324-L328 VanDerWaalsContact O-CG 3.27Å; L324-L328 WeakPolarHBondContact O-CG 3.26Å; L324-L328 PolarHBondContact O-N 2.77Å; L324-L349 HydrophobicContact CD1-CD1 4.49Å; L324-L349 HydrophobicContact CD2-CD2 4.44Å
325	H	96.4	Very high	95.2	Very high	19 Å²	19	65.5 Å²	65.5	9%	0.088	35%	0.348	C	S	.	.	H	α-helix	trans	-59.8	-46.9	175.8	-58.6	159.1	0	0	0	111.7	I319 S321 S322 L328 G329 L330 W338 F341	I319-H325 PolarHBondContact O-NE2 2.94Å; S321-H325 PolarHBondContact O-CD2 3.37Å; S321-H325 VanDerWaalsContact O-CD2 3.27Å; S321-H325 PolarHBondContact O-CE1 3.41Å; S321-H325 VanDerWaalsContact O-CG 3.26Å; S321-H325 PolarHBondContact O-N 2.76Å; S321-H325 VanDerWaalsContact O-N 3.1Å; S321-H325 PolarHBondContact O-ND1 3.47Å; S321-H325 PolarHBondContact O-NE2 3.33Å; S322-H325 PolarHBondContact O-N 2.75Å; H325-L328 CarbonylContact O-C 3.58Å; H325-L328 PolarHBondContact O-N 3.04Å; H325-G329 PolarHBondContact O-N 3.4Å; H325-L330 PolarHBondContact O-N 2.85Å; H325-W338 AromaticContact CE1-CH2 3.74Å; H325-F341 HydrophobicContact CB-CZ 4.46Å; H325-F341 AromaticContact CE1-CE1 3.53Å; H325-F341 AromaticContact CG-CZ 3.96Å; H325-F341 AromaticContact ND1-CE1 3.58Å; H325-F341 AromaticContact ND1-CZ 3.97Å; H325-F341 AromaticContact NE2-CE1 3.88Å
326	Q	93.7	Very high	95.1	Very high	153 Å²	153	67.3 Å²	67.3	72%	0.715	36%	0.357	S	S	*	.	H	α-helix	trans	-61.1	-45.3	176.9	-72.2	172.9	9.9	0	0	111.6	S322 E323 L324 L328 G329	S322-Q326 VanDerWaalsContact O-CG 3.27Å; S322-Q326 WeakPolarHBondContact O-CG 3.16Å; S322-Q326 PolarHBondContact O-N 2.85Å; E323-Q326 PolarHBondContact O-N 3.27Å; L324-Q326 PolarHBondContact O-N 2.9Å; Q326-L328 VanDerWaalsContact C-N 3.27Å; Q326-L328 PolarHBondContact O-N 3.48Å; Q326-G329 PolarHBondContact O-N 3.37Å
327	A	92.9	Very high	95	Very high	50 Å²	50	71.4 Å²	71.4	41%	0.413	38%	0.378	S	S	.	.	H	α-helix	trans	-64.8	-31.4	178.4	0	0	0	0	0	113.2	V278 E323 L324 G329	V278-A327 WeakPolarHBondContact O-CB 3.14Å; E323-A327 WeakPolarHBondContact O-CB 3.18Å; E323-A327 PolarHBondContact O-N 2.84Å; L324-A327 PolarHBondContact O-N 2.92Å; A327-G329 VanDerWaalsContact C-N 3.32Å
328	L	95.3	Very high	95	Very high	7 Å²	7	75.7 Å²	75.7	4%	0.037	39%	0.394	C	S	.	.	H	α-helix	trans	-80.6	-13.6	173.7	-65.6	174.5	0	0	0	112.8	V278 L324 H325 Q326 L330 V345 L349 R352	V278-L328 HydrophobicContact CG1-CD2 4.16Å; L324-L328 HydrophobicContact CD1-CD1 4.2Å; L324-L328 HydrophobicContact CD1-CG 4.31Å; L324-L328 HydrophobicContact CG-CD1 4Å; L324-L328 HydrophobicContact CG-CG 4.47Å; L324-L328 WeakPolarHBondContact O-CB 3.18Å; L324-L328 VanDerWaalsContact O-CG 3.27Å; L324-L328 WeakPolarHBondContact O-CG 3.26Å; L324-L328 PolarHBondContact O-N 2.77Å; H325-L328 CarbonylContact O-C 3.58Å; H325-L328 PolarHBondContact O-N 3.04Å; Q326-L328 VanDerWaalsContact C-N 3.27Å; Q326-L328 PolarHBondContact O-N 3.48Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-L330 HydrophobicContact CB-CD1 3.96Å; L328-L330 HydrophobicContact CB-CG 3.99Å; L328-L330 HydrophobicContact CD1-CD1 4.27Å; L328-V345 HydrophobicContact CD1-CG1 3.82Å; L328-L349 HydrophobicContact CD1-CB 4.34Å; L328-L349 HydrophobicContact CD2-CD1 4.34Å; L328-R352 PolarHBondContact O-NH2 3.08Å
329	G	95.7	Very high	94.9	Very high	64 Å²	64	76.7 Å²	76.7	66%	0.66	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	31	-174.6	0	0	0	0	0	112.5	H325 Q326 A327	H325-G329 PolarHBondContact O-N 3.4Å; Q326-G329 PolarHBondContact O-N 3.37Å; A327-G329 VanDerWaalsContact C-N 3.32Å
330	L	96.3	Very high	95	Very high	28 Å²	28	81 Å²	81	15%	0.147	43%	0.427	C	S	.	.			trans	-107.8	140	-179	-63.5	176.2	0	0	0	110.1	H325 L328 F341 V345 E348	H325-L330 PolarHBondContact O-N 2.85Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-L330 HydrophobicContact CB-CD1 3.96Å; L328-L330 HydrophobicContact CB-CG 3.99Å; L328-L330 HydrophobicContact CD1-CD1 4.27Å; L330-F341 HydrophobicContact CB-CE2 4.2Å; L330-F341 HydrophobicContact CB-CZ 4.45Å; L330-V345 HydrophobicContact CB-CG2 4.48Å; L330-V345 HydrophobicContact CD1-CB 4.25Å; L330-V345 HydrophobicContact CD1-CG2 3.82Å; L330-E348 HydrophobicContact CD1-CB 4.02Å; L330-E348 HydrophobicContact CD1-CG 4.16Å
331	Q	95.6	Very high	95.1	Very high	162 Å²	162	76.2 Å²	76.2	76%	0.757	41%	0.405	S	S	*	.			trans	-132.8	147.4	172.1	-67.5	-176.4	-21.8	0	0	108.4	F341 R344	Q331-F341 WeakPolarHBondContact O-CE2 3.4Å; Q331-R344 PolarHBondContact O-NH2 3.31Å
332	Q	95.6	Very high	95.3	Very high	90 Å²	90	77.3 Å²	77.3	42%	0.421	41%	0.407	S	S	.	.			trans	-70.9	130.9	174	-173.9	179.9	3.2	0	0	109	E336 F341	Q332-E336 HydrophobicContact CG-CB 4.19Å; Q332-E336 PolarHBondContact NE2-O 3.42Å; Q332-F341 HydrophobicContact CB-CD1 3.87Å; Q332-F341 HydrophobicContact CB-CD2 4.08Å; Q332-F341 HydrophobicContact CB-CE1 4.04Å; Q332-F341 HydrophobicContact CB-CE2 4.26Å; Q332-F341 HydrophobicContact CB-CG 3.88Å; Q332-F341 HydrophobicContact CB-CZ 4.24Å; Q332-F341 HydrophobicContact CG-CB 4.1Å; Q332-F341 HydrophobicContact CG-CD1 4.23Å; Q332-F341 HydrophobicContact CG-CD2 4.5Å; Q332-F341 HydrophobicContact CG-CG 4.02Å
333	D	93.6	Very high	95.5	Very high	103 Å²	103	74.4 Å²	74.4	55%	0.551	39%	0.388	S	S	*	.			trans	-73.8	154.4	174.8	-58.9	-37.5	0	0	0	110.2	D335 E336	D333-D335 PolarHBondContact O-N 2.84Å; D333-E336 HydrophobicContact CB-CB 4.02Å; D333-E336 PolarHBondContact N-OE2 3.01Å; D333-E336 PolarHBondContact O-N 3.02Å
334	Q	89.5	Confident	95.8	Very high	197 Å²	197	72.7 Å²	72.7	92%	0.921	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-35.1	-170.8	-85.6	-175.1	-8.7	0	0	114.7
335	D	94	Very high	95.9	Very high	161 Å²	161	72.7 Å²	72.7	86%	0.861	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	10.8	-177.7	-58.9	-48	0	0	0	113	D333	D333-D335 PolarHBondContact O-N 2.84Å
336	E	95.6	Very high	96	Very high	38 Å²	38	71.8 Å²	71.8	18%	0.178	37%	0.373	C	S	.	.			trans	-78.2	128.2	-178.9	-173.1	-179	-154.5	0	0	110.7	Q332 D333 L340 F341 R344	Q332-E336 HydrophobicContact CG-CB 4.19Å; Q332-E336 PolarHBondContact NE2-O 3.42Å; D333-E336 HydrophobicContact CB-CB 4.02Å; D333-E336 PolarHBondContact N-OE2 3.01Å; D333-E336 PolarHBondContact O-N 3.02Å; E336-L340 HydrophobicContact CG-CB 4.4Å; E336-F341 HydrophobicContact CG-CB 4.11Å; E336-F341 WeakPolarHBondContact OE1-CA 3.33Å; E336-F341 WeakPolarHBondContact OE2-CD2 3.48Å; E336-R344 IonicContact OE1-CZ 3.26Å; E336-R344 IonicContact OE1-NE 2.92Å; E336-R344 PolarHBondContact OE1-NE 3.41Å; E336-R344 IonicContact OE1-NH2 3.78Å; E336-R344 PolarHBondContact OE1-NH2 2.84Å; E336-R344 IonicContact OE2-CZ 3.98Å; E336-R344 IonicContact OE2-NE 3.84Å; E336-R344 IonicContact OE2-NH2 2.74Å; E336-R344 PolarHBondContact OE2-NH2 3.5Å
337	D	97.3	Very high	96.2	Very high	87 Å²	87	69.4 Å²	69.4	47%	0.465	36%	0.361	S	S	.	.			trans	-60.2	138	172.1	173.7	-97.3	0	0	0	111.1	T339 L340 F341	D337-T339 VanDerWaalsContact C-N 3.26Å; D337-T339 PolarHBondContact O-N 3.42Å; D337-T339 WeakPolarHBondContact OD1-CA 3.29Å; D337-T339 WeakPolarHBondContact OD1-CB 3.46Å; D337-T339 PolarHBondContact OD1-N 2.83Å; D337-T339 PolarHBondContact OD1-OG1 2.83Å; D337-L340 HydrophobicContact CB-CB 4.26Å; D337-L340 HydrophobicContact CB-CD1 4.03Å; D337-L340 HydrophobicContact CB-CG 4.02Å; D337-L340 WeakPolarHBondContact O-CB 3.41Å; D337-L340 PolarHBondContact O-N 2.88Å; D337-L340 PolarHBondContact OD1-N 3.24Å; D337-F341 PolarHBondContact O-N 3.35Å
338	W	96.9	Very high	96.4	Very high	105 Å²	105	68.8 Å²	68.8	40%	0.398	35%	0.35	S	S	.	.	H	α-helix	trans	-58.5	-35.9	-176.9	176.6	-118.2	0	0	0	113.4	H320 H325 F341 R342	H320-W338 HydrophobicContact CB-CZ2 4.18Å; H325-W338 AromaticContact CE1-CH2 3.74Å; W338-F341 AromaticContact CE3-CD1 3.72Å; W338-F341 HydrophobicContact CE3-CD1 3.72Å; W338-F341 HydrophobicContact CE3-CE1 4.48Å; W338-F341 HydrophobicContact CH2-CD1 4.38Å; W338-F341 HydrophobicContact CH2-CE1 4.5Å; W338-F341 AromaticContact CZ3-CD1 3.49Å; W338-F341 HydrophobicContact CZ3-CD1 3.49Å; W338-F341 VanDerWaalsContact CZ3-CD1 3.49Å; W338-F341 AromaticContact CZ3-CE1 3.81Å; W338-F341 HydrophobicContact CZ3-CE1 3.81Å; W338-F341 PolarHBondContact O-N 3.03Å; W338-R342 HydrophobicContact CD2-CG 4.23Å; W338-R342 VanDerWaalsContact CE2-CD 3.48Å; W338-R342 HydrophobicContact CZ2-CG 4.02Å; W338-R342 VanDerWaalsContact NE1-CD 3.31Å; W338-R342 WeakPolarHBondContact O-CB 3.47Å; W338-R342 WeakPolarHBondContact O-CG 3.5Å; W338-R342 PolarHBondContact O-N 2.76Å
339	T	97.4	Very high	96.5	Very high	59 Å²	59	68.4 Å²	68.4	36%	0.362	35%	0.348	S	S	.	.	H	α-helix	trans	-69.7	-40.8	177.8	-48.2	0	0	0	0	110.6	L243 L246 D337 R342 A343	L243-T339 HydrophobicContact CD1-CG2 3.77Å; L246-T339 HydrophobicContact CD2-CG2 3.95Å; L246-T339 WeakPolarHBondContact CD2-O 3.2Å; D337-T339 VanDerWaalsContact C-N 3.26Å; D337-T339 PolarHBondContact O-N 3.42Å; D337-T339 WeakPolarHBondContact OD1-CA 3.29Å; D337-T339 WeakPolarHBondContact OD1-CB 3.46Å; D337-T339 PolarHBondContact OD1-N 2.83Å; D337-T339 PolarHBondContact OD1-OG1 2.83Å; T339-R342 PolarHBondContact O-N 3.48Å; T339-A343 WeakPolarHBondContact O-CB 3.28Å; T339-A343 PolarHBondContact O-N 2.86Å
340	L	97.6	Very high	96.6	Very high	91 Å²	91	65.9 Å²	65.9	48%	0.476	32%	0.319	S	S	.	.	H	α-helix	trans	-64.2	-42.1	175	-64.5	-178.9	0	0	0	111.5	E336 D337 A343 R344	E336-L340 HydrophobicContact CG-CB 4.4Å; D337-L340 HydrophobicContact CB-CB 4.26Å; D337-L340 HydrophobicContact CB-CD1 4.03Å; D337-L340 HydrophobicContact CB-CG 4.02Å; D337-L340 WeakPolarHBondContact O-CB 3.41Å; D337-L340 PolarHBondContact O-N 2.88Å; D337-L340 PolarHBondContact OD1-N 3.24Å; L340-A343 WeakPolarHBondContact O-CB 3.16Å; L340-A343 PolarHBondContact O-N 2.97Å; L340-R344 PolarHBondContact O-N 2.78Å
341	F	98.3	Very high	96.5	Very high	3 Å²	3	70.3 Å²	70.3	1%	0.013	33%	0.333	C	S	.	.	H	α-helix	trans	-59.7	-48.9	174.4	176.7	-121.8	0	0	0	112	H325 L330 Q331 Q332 E336 D337 W338 A343 R344 V345	H325-F341 HydrophobicContact CB-CZ 4.46Å; H325-F341 AromaticContact CE1-CE1 3.53Å; H325-F341 AromaticContact CG-CZ 3.96Å; H325-F341 AromaticContact ND1-CE1 3.58Å; H325-F341 AromaticContact ND1-CZ 3.97Å; H325-F341 AromaticContact NE2-CE1 3.88Å; L330-F341 HydrophobicContact CB-CE2 4.2Å; L330-F341 HydrophobicContact CB-CZ 4.45Å; Q331-F341 WeakPolarHBondContact O-CE2 3.4Å; Q332-F341 HydrophobicContact CB-CD1 3.87Å; Q332-F341 HydrophobicContact CB-CD2 4.08Å; Q332-F341 HydrophobicContact CB-CE1 4.04Å; Q332-F341 HydrophobicContact CB-CE2 4.26Å; Q332-F341 HydrophobicContact CB-CG 3.88Å; Q332-F341 HydrophobicContact CB-CZ 4.24Å; Q332-F341 HydrophobicContact CG-CB 4.1Å; Q332-F341 HydrophobicContact CG-CD1 4.23Å; Q332-F341 HydrophobicContact CG-CD2 4.5Å; Q332-F341 HydrophobicContact CG-CG 4.02Å; E336-F341 HydrophobicContact CG-CB 4.11Å; E336-F341 WeakPolarHBondContact OE1-CA 3.33Å; E336-F341 WeakPolarHBondContact OE2-CD2 3.48Å; D337-F341 PolarHBondContact O-N 3.35Å; W338-F341 AromaticContact CE3-CD1 3.72Å; W338-F341 HydrophobicContact CE3-CD1 3.72Å; W338-F341 HydrophobicContact CE3-CE1 4.48Å; W338-F341 HydrophobicContact CH2-CD1 4.38Å; W338-F341 HydrophobicContact CH2-CE1 4.5Å; W338-F341 AromaticContact CZ3-CD1 3.49Å; W338-F341 HydrophobicContact CZ3-CD1 3.49Å; W338-F341 VanDerWaalsContact CZ3-CD1 3.49Å; W338-F341 AromaticContact CZ3-CE1 3.81Å; W338-F341 HydrophobicContact CZ3-CE1 3.81Å; W338-F341 PolarHBondContact O-N 3.03Å; F341-A343 VanDerWaalsContact C-N 3.28Å; F341-A343 PolarHBondContact O-N 3.01Å; F341-R344 VanDerWaalsContact CD2-NH2 3.28Å; F341-R344 WeakPolarHBondContact O-CB 3.48Å; F341-R344 PolarHBondContact O-N 2.83Å; F341-R344 VanDerWaalsContact O-N 3.11Å; F341-V345 HydrophobicContact CD2-CG2 4.31Å; F341-V345 HydrophobicContact CE1-CG2 4.16Å; F341-V345 HydrophobicContact CE2-CG2 3.89Å; F341-V345 HydrophobicContact CZ-CG2 3.82Å; F341-V345 WeakPolarHBondContact O-CG2 3.29Å; F341-V345 PolarHBondContact O-N 3.23Å
342	R	98.1	Very high	96.5	Very high	30 Å²	30	66.4 Å²	66.4	11%	0.113	31%	0.312	C	S	.	.	H	α-helix	trans	-60.3	-36.7	175.5	-74.3	179.1	68.3	-142.4	2.9	112.4	L246 D250 I319 W338 T339 V345 L346	L246-R342 HydrophobicContact CD1-CB 4.22Å; L246-R342 HydrophobicContact CD2-CB 3.64Å; D250-R342 IonicContact OD1-CZ 2.76Å; D250-R342 IonicContact OD1-NH1 2.74Å; D250-R342 PolarHBondContact OD1-NH1 3.18Å; D250-R342 IonicContact OD1-NH2 2.88Å; D250-R342 PolarHBondContact OD1-NH2 3.26Å; D250-R342 IonicContact OD2-CZ 2.8Å; D250-R342 IonicContact OD2-NH1 2.74Å; D250-R342 PolarHBondContact OD2-NH1 3.45Å; D250-R342 IonicContact OD2-NH2 3.92Å; I319-R342 HydrophobicContact CG2-CB 3.76Å; I319-R342 HydrophobicContact CG2-CG 4.09Å; I319-R342 VanDerWaalsContact CG2-O 3.25Å; I319-R342 WeakPolarHBondContact CG2-O 3.21Å; W338-R342 HydrophobicContact CD2-CG 4.23Å; W338-R342 VanDerWaalsContact CE2-CD 3.48Å; W338-R342 HydrophobicContact CZ2-CG 4.02Å; W338-R342 VanDerWaalsContact NE1-CD 3.31Å; W338-R342 WeakPolarHBondContact O-CB 3.47Å; W338-R342 WeakPolarHBondContact O-CG 3.5Å; W338-R342 PolarHBondContact O-N 2.76Å; T339-R342 PolarHBondContact O-N 3.48Å; R342-V345 PolarHBondContact O-N 2.8Å; R342-L346 WeakPolarHBondContact O-CB 3.47Å; R342-L346 PolarHBondContact O-N 2.94Å
343	A	98.1	Very high	96.6	Very high	8 Å²	8	63.6 Å²	63.6	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-65.8	-39.6	175.7	0	0	0	0	0	111.2	A242 L243 L246 T339 L340 F341 L346 E347	A242-A343 HydrophobicContact CB-CB 4.36Å; A242-A343 VanDerWaalsContact CB-O 3.29Å; A242-A343 WeakPolarHBondContact CB-O 3.43Å; L243-A343 HydrophobicContact CB-CB 4.31Å; L243-A343 HydrophobicContact CD1-CB 4.28Å; L246-A343 HydrophobicContact CD2-CB 4.11Å; T339-A343 WeakPolarHBondContact O-CB 3.28Å; T339-A343 PolarHBondContact O-N 2.86Å; L340-A343 WeakPolarHBondContact O-CB 3.16Å; L340-A343 PolarHBondContact O-N 2.97Å; F341-A343 VanDerWaalsContact C-N 3.28Å; F341-A343 PolarHBondContact O-N 3.01Å; A343-L346 WeakPolarHBondContact O-CB 3.49Å; A343-L346 PolarHBondContact O-N 2.79Å; A343-E347 WeakPolarHBondContact O-CB 3.47Å; A343-E347 PolarHBondContact O-N 2.81Å
344	R	97.8	Very high	96.5	Very high	72 Å²	72	60.2 Å²	60.2	27%	0.272	28%	0.28	S	S	.	.	H	α-helix	trans	-64.2	-40.9	173.6	-178	165.7	62.8	100.3	-7.1	112.3	Q331 E336 L340 F341 E347 E348	Q331-R344 PolarHBondContact O-NH2 3.31Å; E336-R344 IonicContact OE1-CZ 3.26Å; E336-R344 IonicContact OE1-NE 2.92Å; E336-R344 PolarHBondContact OE1-NE 3.41Å; E336-R344 IonicContact OE1-NH2 3.78Å; E336-R344 PolarHBondContact OE1-NH2 2.84Å; E336-R344 IonicContact OE2-CZ 3.98Å; E336-R344 IonicContact OE2-NE 3.84Å; E336-R344 IonicContact OE2-NH2 2.74Å; E336-R344 PolarHBondContact OE2-NH2 3.5Å; L340-R344 PolarHBondContact O-N 2.78Å; F341-R344 VanDerWaalsContact CD2-NH2 3.28Å; F341-R344 WeakPolarHBondContact O-CB 3.48Å; F341-R344 PolarHBondContact O-N 2.83Å; F341-R344 VanDerWaalsContact O-N 3.11Å; R344-E347 PolarHBondContact O-N 3.41Å; R344-E348 PolarHBondContact O-N 3.46Å
345	V	98.3	Very high	96.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-47.2	172.8	172.4	0	0	0	0	110.9	I319 L328 L330 F341 R342 E348 L349	I319-V345 HydrophobicContact CG2-CB 4.11Å; I319-V345 HydrophobicContact CG2-CG1 3.96Å; L328-V345 HydrophobicContact CD1-CG1 3.82Å; L330-V345 HydrophobicContact CB-CG2 4.48Å; L330-V345 HydrophobicContact CD1-CB 4.25Å; L330-V345 HydrophobicContact CD1-CG2 3.82Å; F341-V345 HydrophobicContact CD2-CG2 4.31Å; F341-V345 HydrophobicContact CE1-CG2 4.16Å; F341-V345 HydrophobicContact CE2-CG2 3.89Å; F341-V345 HydrophobicContact CZ-CG2 3.82Å; F341-V345 WeakPolarHBondContact O-CG2 3.29Å; F341-V345 PolarHBondContact O-N 3.23Å; R342-V345 PolarHBondContact O-N 2.8Å; V345-E348 PolarHBondContact O-N 2.79Å; V345-L349 WeakPolarHBondContact O-CB 3.31Å; V345-L349 PolarHBondContact O-N 3.02Å
346	L	98.4	Very high	96.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-45.4	176.5	173.5	55.5	0	0	0	112.2	A242 M245 L246 L249 F316 I319 R342 A343 E348 L349 R350	A242-L346 HydrophobicContact CB-CG 4.48Å; A242-L346 WeakPolarHBondContact O-CD2 3.38Å; M245-L346 HydrophobicContact CB-CD2 3.96Å; M245-L346 HydrophobicContact CG-CD2 3.89Å; L246-L346 HydrophobicContact CB-CD2 3.9Å; L249-L346 HydrophobicContact CD1-CD1 4.01Å; L249-L346 HydrophobicContact CD1-CD2 3.97Å; F316-L346 HydrophobicContact CD1-CD1 3.67Å; F316-L346 HydrophobicContact CE1-CD1 4.2Å; I319-L346 HydrophobicContact CD1-CB 3.94Å; I319-L346 HydrophobicContact CD1-CD1 3.85Å; I319-L346 HydrophobicContact CD1-CD2 4.29Å; I319-L346 HydrophobicContact CD1-CG 4.24Å; R342-L346 WeakPolarHBondContact O-CB 3.47Å; R342-L346 PolarHBondContact O-N 2.94Å; A343-L346 WeakPolarHBondContact O-CB 3.49Å; A343-L346 PolarHBondContact O-N 2.79Å; L346-E348 PolarHBondContact O-N 3.37Å; L346-L349 PolarHBondContact O-N 2.82Å; L346-R350 VanDerWaalsContact O-CB 3.22Å; L346-R350 WeakPolarHBondContact O-CB 3.37Å; L346-R350 PolarHBondContact O-N 3.42Å
347	E	97.6	Very high	95.9	Very high	103 Å²	103	55.5 Å²	55.5	48%	0.481	25%	0.25	S	S	.	.	H	α-helix	trans	-58.5	-48.2	178.7	-173.5	168.3	-138.5	0	0	111.2	A242 A343 R344 R350 R351	A242-E347 HydrophobicContact CB-CB 3.8Å; A242-E347 HydrophobicContact CB-CG 4.5Å; A343-E347 WeakPolarHBondContact O-CB 3.47Å; A343-E347 PolarHBondContact O-N 2.81Å; R344-E347 PolarHBondContact O-N 3.41Å; E347-R350 PolarHBondContact O-N 2.81Å; E347-R351 VanDerWaalsContact O-CB 3.27Å; E347-R351 WeakPolarHBondContact O-CB 3.25Å; E347-R351 PolarHBondContact O-N 3.4Å
348	E	97.5	Very high	94.6	Very high	36 Å²	36	53.4 Å²	53.4	17%	0.168	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-44.8	178.4	176.1	56.9	-167.9	0	0	112	L330 R344 V345 L346 R350 R351 R352	L330-E348 HydrophobicContact CD1-CB 4.02Å; L330-E348 HydrophobicContact CD1-CG 4.16Å; R344-E348 PolarHBondContact O-N 3.46Å; V345-E348 PolarHBondContact O-N 2.79Å; L346-E348 PolarHBondContact O-N 3.37Å; E348-R350 VanDerWaalsContact C-N 3.34Å; E348-R350 PolarHBondContact O-N 2.86Å; E348-R351 VanDerWaalsContact CD-NH2 3.26Å; E348-R351 PolarHBondContact O-N 3.44Å; E348-R351 IonicContact OE1-CZ 3.35Å; E348-R351 IonicContact OE1-NE 3.7Å; E348-R351 IonicContact OE1-NH2 3.09Å; E348-R351 PolarHBondContact OE1-NH2 2.67Å; E348-R351 IonicContact OE2-CZ 3.7Å; E348-R351 VanDerWaalsContact OE2-CZ 3.26Å; E348-R351 IonicContact OE2-NE 3.21Å; E348-R351 PolarHBondContact OE2-NE 3.37Å; E348-R351 IonicContact OE2-NH2 3.11Å; E348-R351 PolarHBondContact OE2-NH2 3.06Å; E348-R352 WeakPolarHBondContact O-CG 3.5Å; E348-R352 PolarHBondContact O-N 2.86Å; E348-R352 IonicContact OE1-CZ 3.36Å; E348-R352 IonicContact OE1-NE 2.75Å; E348-R352 PolarHBondContact OE1-NE 3.44Å; E348-R352 IonicContact OE1-NH2 3.04Å; E348-R352 PolarHBondContact OE1-NH2 2.84Å
349	L	97.6	Very high	92.4	Very high	0 Å²	0	61 Å²	61	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-45.7	177.1	-177.3	67.1	0	0	0	111.2	F274 V278 P315 F316 L324 L328 V345 L346 R352 K353	F274-L349 HydrophobicContact CE1-CD1 3.71Å; F274-L349 HydrophobicContact CE1-CG 4.27Å; F274-L349 HydrophobicContact CZ-CD1 3.77Å; F274-L349 HydrophobicContact CZ-CG 4.45Å; F274-L349 WeakPolarHBondContact CZ-O 3.37Å; V278-L349 HydrophobicContact CB-CD1 4.4Å; V278-L349 HydrophobicContact CG1-CD1 3.9Å; V278-L349 HydrophobicContact CG2-CD1 4.2Å; P315-L349 HydrophobicContact CB-CD1 4.18Å; P315-L349 HydrophobicContact CB-CD2 3.85Å; P315-L349 HydrophobicContact CG-CD2 4.36Å; P315-L349 WeakPolarHBondContact O-CD2 3.35Å; F316-L349 HydrophobicContact CD1-CD2 3.5Å; F316-L349 HydrophobicContact CD1-CG 4.12Å; F316-L349 HydrophobicContact CD2-CD2 4.31Å; F316-L349 HydrophobicContact CE1-CB 4.29Å; F316-L349 HydrophobicContact CE1-CD2 3.58Å; F316-L349 HydrophobicContact CE1-CG 3.65Å; F316-L349 HydrophobicContact CE2-CD2 4.37Å; F316-L349 HydrophobicContact CG-CD2 3.91Å; F316-L349 HydrophobicContact CZ-CD2 4.02Å; F316-L349 HydrophobicContact CZ-CG 3.9Å; L324-L349 HydrophobicContact CD1-CD1 4.49Å; L324-L349 HydrophobicContact CD2-CD2 4.44Å; L328-L349 HydrophobicContact CD1-CB 4.34Å; L328-L349 HydrophobicContact CD2-CD1 4.34Å; V345-L349 WeakPolarHBondContact O-CB 3.31Å; V345-L349 PolarHBondContact O-N 3.02Å; L346-L349 PolarHBondContact O-N 2.82Å; L349-R352 PolarHBondContact O-N 2.94Å; L349-K353 PolarHBondContact O-N 3.43Å
350	R	96.9	Very high	92.1	Very high	11 Å²	11	61.2 Å²	61.2	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-43.9	178.2	-171.7	63.3	-90.6	178.9	-14.6	111.4	C234 M237 F316 L346 E347 E348 R352 K353 D354	C234-R350 PolarHBondContact O-NH1 3.48Å; C234-R350 PolarHBondContact SG-NH1 3.01Å; M237-R350 HydrophobicContact CE-CB 3.91Å; M237-R350 HydrophobicContact CE-CG 3.7Å; F316-R350 HydrophobicContact CE1-CB 4.35Å; L346-R350 VanDerWaalsContact O-CB 3.22Å; L346-R350 WeakPolarHBondContact O-CB 3.37Å; L346-R350 PolarHBondContact O-N 3.42Å; E347-R350 PolarHBondContact O-N 2.81Å; E348-R350 VanDerWaalsContact C-N 3.34Å; E348-R350 PolarHBondContact O-N 2.86Å; R350-R352 PolarHBondContact O-N 3.36Å; R350-K353 PolarHBondContact O-N 3.06Å; R350-D354 IonicContact CZ-OD1 2.69Å; R350-D354 IonicContact NE-OD1 3.82Å; R350-D354 PolarHBondContact NE-OD1 3.03Å; R350-D354 IonicContact NE-OD2 2.76Å; R350-D354 IonicContact NH2-OD1 4Å; R350-D354 PolarHBondContact NH2-OD1 3.32Å; R350-D354 WeakPolarHBondContact O-CB 3.4Å; R350-D354 PolarHBondContact O-N 3.29Å
351	R	95.3	Very high	91.8	Very high	121 Å²	121	59.6 Å²	59.6	46%	0.457	26%	0.263	S	S	.	.	H	α-helix	trans	-59.4	-44	176.6	-171.6	-169	69.7	78.1	1.4	111.5	E347 E348 D354 I355	E347-R351 VanDerWaalsContact O-CB 3.27Å; E347-R351 WeakPolarHBondContact O-CB 3.25Å; E347-R351 PolarHBondContact O-N 3.4Å; E348-R351 VanDerWaalsContact CD-NH2 3.26Å; E348-R351 PolarHBondContact O-N 3.44Å; E348-R351 IonicContact OE1-CZ 3.35Å; E348-R351 IonicContact OE1-NE 3.7Å; E348-R351 IonicContact OE1-NH2 3.09Å; E348-R351 PolarHBondContact OE1-NH2 2.67Å; E348-R351 IonicContact OE2-CZ 3.7Å; E348-R351 VanDerWaalsContact OE2-CZ 3.26Å; E348-R351 IonicContact OE2-NE 3.21Å; E348-R351 PolarHBondContact OE2-NE 3.37Å; E348-R351 IonicContact OE2-NH2 3.11Å; E348-R351 PolarHBondContact OE2-NH2 3.06Å; R351-D354 PolarHBondContact O-N 3.43Å; R351-I355 PolarHBondContact O-N 3.04Å
352	R	95.8	Very high	91.5	Very high	79 Å²	79	62.7 Å²	62.7	30%	0.298	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-44.7	174.7	-71.4	-173.7	-170.2	-170.1	9.7	111.3	F274 L328 E348 L349 R350 D354 I355 Y356	F274-R352 HydrophobicContact CE2-CB 3.93Å; F274-R352 HydrophobicContact CZ-CB 4.06Å; L328-R352 PolarHBondContact O-NH2 3.08Å; E348-R352 WeakPolarHBondContact O-CG 3.5Å; E348-R352 PolarHBondContact O-N 2.86Å; E348-R352 IonicContact OE1-CZ 3.36Å; E348-R352 IonicContact OE1-NE 2.75Å; E348-R352 PolarHBondContact OE1-NE 3.44Å; E348-R352 IonicContact OE1-NH2 3.04Å; E348-R352 PolarHBondContact OE1-NH2 2.84Å; L349-R352 PolarHBondContact O-N 2.94Å; R350-R352 PolarHBondContact O-N 3.36Å; R352-D354 VanDerWaalsContact C-N 3.34Å; R352-D354 PolarHBondContact O-N 3.27Å; R352-I355 WeakPolarHBondContact O-CG1 3.42Å; R352-I355 PolarHBondContact O-N 3.11Å; R352-Y356 WeakPolarHBondContact O-CB 3.45Å; R352-Y356 PolarHBondContact O-N 3.33Å
353	K	96	Very high	91.1	Very high	32 Å²	32	64.6 Å²	64.6	14%	0.139	29%	0.287	C	S	.	.	H	α-helix	trans	-66.7	-33.6	178.7	-164.3	166.8	-167.1	-65.2	0	113.3	N271 F274 F316 L349 R350 I355 Y356	N271-K353 WeakPolarHBondContact OD1-CE 3.37Å; N271-K353 PolarHBondContact OD1-NZ 3.17Å; F274-K353 HydrophobicContact CB-CD 4.4Å; F274-K353 HydrophobicContact CB-CG 4.33Å; F274-K353 HydrophobicContact CD1-CB 3.96Å; F274-K353 HydrophobicContact CD1-CD 3.44Å; F274-K353 VanDerWaalsContact CD1-CD 3.44Å; F274-K353 HydrophobicContact CD1-CG 3.69Å; F274-K353 HydrophobicContact CD2-CB 4Å; F274-K353 HydrophobicContact CD2-CG 3.97Å; F274-K353 HydrophobicContact CE1-CB 3.65Å; F274-K353 HydrophobicContact CE1-CD 3.8Å; F274-K353 HydrophobicContact CE1-CG 3.94Å; F274-K353 VanDerWaalsContact CE2-CA 3.44Å; F274-K353 HydrophobicContact CE2-CB 3.72Å; F274-K353 HydrophobicContact CE2-CG 4.21Å; F274-K353 HydrophobicContact CG-CB 4.11Å; F274-K353 HydrophobicContact CG-CD 3.88Å; F274-K353 HydrophobicContact CG-CG 3.69Å; F274-K353 HydrophobicContact CZ-CB 3.52Å; F274-K353 HydrophobicContact CZ-CG 4.19Å; F316-K353 HydrophobicContact CE2-CD 3.61Å; F316-K353 HydrophobicContact CZ-CB 4.22Å; F316-K353 HydrophobicContact CZ-CD 3.61Å; L349-K353 PolarHBondContact O-N 3.43Å; R350-K353 PolarHBondContact O-N 3.06Å; K353-I355 VanDerWaalsContact C-N 3.31Å; K353-I355 PolarHBondContact O-N 2.82Å; K353-Y356 WeakPolarHBondContact O-CB 3.38Å; K353-Y356 PolarHBondContact O-N 3.17Å
354	D	92.7	Very high	90.6	Very high	31 Å²	31	68.2 Å²	68.2	17%	0.166	30%	0.3	C	S	.	.	H	α-helix	trans	-70.5	-27.3	-179.4	-72.1	-5.1	0	0	0	113.2	R236 R350 R351 R352	R236-D354 WeakPolarHBondContact CG-OD1 3.48Å; R350-D354 IonicContact CZ-OD1 2.69Å; R350-D354 IonicContact NE-OD1 3.82Å; R350-D354 PolarHBondContact NE-OD1 3.03Å; R350-D354 IonicContact NE-OD2 2.76Å; R350-D354 IonicContact NH2-OD1 4Å; R350-D354 PolarHBondContact NH2-OD1 3.32Å; R350-D354 WeakPolarHBondContact O-CB 3.4Å; R350-D354 PolarHBondContact O-N 3.29Å; R351-D354 PolarHBondContact O-N 3.43Å; R352-D354 VanDerWaalsContact C-N 3.34Å; R352-D354 PolarHBondContact O-N 3.27Å
355	I	92.2	Very high	90.1	Very high	85 Å²	85	67.9 Å²	67.9	44%	0.436	30%	0.302	S	S	.	.	H	α-helix	trans	-97.6	-8.3	174.6	68.3	175.1	0	0	0	113.3	R351 R352 K353 K357	R351-I355 PolarHBondContact O-N 3.04Å; R352-I355 WeakPolarHBondContact O-CG1 3.42Å; R352-I355 PolarHBondContact O-N 3.11Å; K353-I355 VanDerWaalsContact C-N 3.31Å; K353-I355 PolarHBondContact O-N 2.82Å; I355-K357 PolarHBondContact O-N 2.93Å
356	Y	91.9	Very high	89.6	Confident	53 Å²	53	72.8 Å²	72.8	21%	0.208	32%	0.324	C	S	.	.			trans	-60.5	131.5	177.9	178.1	-108.9	0	0	0	109.8	M273 F274 E277 R352 K353	M273-Y356 HydrophobicContact CB-CE1 4.46Å; M273-Y356 WeakPolarHBondContact CB-OH 3.37Å; F274-Y356 HydrophobicContact CB-CD1 3.98Å; F274-Y356 HydrophobicContact CB-CE1 4.06Å; F274-Y356 HydrophobicContact CB-CG 4.4Å; F274-Y356 HydrophobicContact CD2-CD1 4.27Å; F274-Y356 HydrophobicContact CD2-CD2 4.15Å; F274-Y356 AromaticContact CD2-CG 3.85Å; F274-Y356 HydrophobicContact CD2-CG 3.85Å; E277-Y356 HydrophobicContact CG-CD2 4.29Å; E277-Y356 HydrophobicContact CG-CE2 3.71Å; R352-Y356 WeakPolarHBondContact O-CB 3.45Å; R352-Y356 PolarHBondContact O-N 3.33Å; K353-Y356 WeakPolarHBondContact O-CB 3.38Å; K353-Y356 PolarHBondContact O-N 3.17Å
357	K	82	Confident	88.9	Confident	160 Å²	160	78.4 Å²	78.4	70%	0.696	35%	0.349	S	S	*	.			trans	-117.5	115	170.4	-62.9	-179.8	-175.9	174.9	0	105.1	I355 R359	I355-K357 PolarHBondContact O-N 2.93Å; K357-R359 PolarHBondContact O-N 2.96Å
358	G	70.6	Confident	88.2	Confident	43 Å²	43	76.3 Å²	76.3	44%	0.443	34%	0.338	S	S	.	.			trans	-47.8	129.3	170.1	0	0	0	0	0	109.1
359	R	49.4	Very low	87.3	Confident	265 Å²	265	80 Å²	80	100%	1	35%	0.353	S	S	*	.			trans	-73.4	0	-178.8	-73.2	-172.7	-177.4	-179.3	7.2	111.6	K357	K357-R359 PolarHBondContact O-N 2.96Å

Retrieved 359 of 359 residues in 735.8 ms (Link to these results)

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