A0A077ZBN1_TRITR Loading...

LRR 8 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBN1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 467 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	37	Very low	37.9	Very low	221 Å²	221	151.1 Å²	151.1	100%	1.089	80%	0.802	S	S	*	*				0	120.8	0	-100.9	165.9	66.1	0	0	108.1
2	Y	37.7	Very low	37.7	Very low	215 Å²	215	144 Å²	144	84%	0.843	79%	0.792	S	S	*	*			trans	66.1	96.4	170.7	-57.1	-76	0	0	0	118.9
3	S	34.3	Very low	38.1	Very low	100 Å²	100	141.3 Å²	141.3	70%	0.699	78%	0.782	S	S	*	*			trans	-70.3	145	154.3	173	0	0	0	0	110.5
4	L	36.4	Very low	37.8	Very low	129 Å²	129	143.6 Å²	143.6	68%	0.675	79%	0.787	S	S	*	*				175.1	123.4	115	-110.1	87.7	0	0	0	112.8
5	K	32.2	Very low	37.7	Very low	188 Å²	188	146.3 Å²	146.3	82%	0.817	79%	0.788	S	S	*	*			trans	65.9	115.8	136.4	-64.7	-177.7	-170.5	175.1	0	121.2
6	A	38.7	Very low	37.5	Very low	91 Å²	91	144.2 Å²	144.2	75%	0.752	79%	0.787	S	S	*	*			trans	-147.9	103.9	134.5	0	0	0	0	0	112.4
7	I	39.3	Very low	37.3	Very low	156 Å²	156	142 Å²	142	80%	0.8	78%	0.784	S	S	*	*				57.5	102.5	129.4	-55.9	166	0	0	0	117.3
8	V	38.2	Very low	37.6	Very low	129 Å²	129	139 Å²	139	78%	0.782	78%	0.781	S	S	*	*			trans	-93.6	117.6	162.7	173	0	0	0	0	108.1	L10	V8-L10 PolarHBondContact O-N 3.24Å
9	L	40.2	Very low	38.1	Very low	155 Å²	155	139.3 Å²	139.3	81%	0.812	78%	0.781	S	S	*	*			trans	-68.6	111	161.8	-102.9	105.5	0	0	0	108.4	V11	L9-V11 PolarHBondContact O-N 3.39Å
10	L	38.6	Very low	38.7	Very low	158 Å²	158	141.2 Å²	141.2	83%	0.827	79%	0.789	S	S	*	*			trans	-84.7	102.7	165.8	-99.3	149.8	0	0	0	108.4	V8 G12	V8-L10 PolarHBondContact O-N 3.24Å; L10-G12 PolarHBondContact O-N 3.35Å; L10-G12 VanDerWaalsContact O-N 3.12Å
11	V	44.3	Very low	40	Very low	120 Å²	120	139.3 Å²	139.3	73%	0.727	78%	0.781	S	S	*	*			trans	-69.8	97.1	159.4	175.9	0	0	0	0	106.4	L9 V13	L9-V11 PolarHBondContact O-N 3.39Å; V11-V13 PolarHBondContact O-N 3.36Å; V11-V13 VanDerWaalsContact O-N 3.15Å
12	G	34.9	Very low	41.9	Very low	66 Å²	66	132.1 Å²	132.1	68%	0.68	76%	0.757	S	S	*	*			trans	-70.3	101.3	169.8	0	0	0	0	0	109.4	L10 M14	L10-G12 PolarHBondContact O-N 3.35Å; L10-G12 VanDerWaalsContact O-N 3.12Å; G12-M14 PolarHBondContact O-N 3.15Å
13	V	43.1	Very low	44.2	Very low	109 Å²	109	130.5 Å²	130.5	66%	0.661	76%	0.757	S	S	*	*			trans	-66.1	100.7	161.9	177.9	0	0	0	0	106.4	V11 F15	V11-V13 PolarHBondContact O-N 3.36Å; V11-V13 VanDerWaalsContact O-N 3.15Å; V13-F15 HydrophobicContact CG1-CD2 4.05Å; V13-F15 HydrophobicContact CG1-CE2 3.95Å; V13-F15 PolarHBondContact O-N 3.46Å
14	M	33.6	Very low	46.9	Very low	173 Å²	173	128.4 Å²	128.4	85%	0.852	74%	0.741	S	S	*	*			trans	-70.7	94.2	173.4	-158.7	-177.8	-74.2	0	0	107.1	G12 C16	G12-M14 PolarHBondContact O-N 3.15Å; M14-C16 PolarHBondContact O-N 2.8Å; M14-C16 VanDerWaalsContact O-N 3.1Å
15	F	37.2	Very low	49.4	Very low	184 Å²	184	124.3 Å²	124.3	81%	0.807	72%	0.721	S	S	*	*			trans	-65.8	103.7	161	-84.3	-91.1	0	0	0	106.8	V13 S17	V13-F15 HydrophobicContact CG1-CD2 4.05Å; V13-F15 HydrophobicContact CG1-CE2 3.95Å; V13-F15 PolarHBondContact O-N 3.46Å; F15-S17 PolarHBondContact O-N 3.19Å; F15-S17 VanDerWaalsContact O-N 3.11Å
16	C	33.8	Very low	52.2	Low	113 Å²	113	117.5 Å²	117.5	76%	0.764	70%	0.7	S	S	*	*			trans	-56.3	115	159.8	-84.6	0	0	0	0	107.3	M14 A18	M14-C16 PolarHBondContact O-N 2.8Å; M14-C16 VanDerWaalsContact O-N 3.1Å; C16-A18 PolarHBondContact O-N 3.45Å; C16-A18 VanDerWaalsContact O-N 3.09Å
17	S	35	Very low	54.7	Low	107 Å²	107	113.1 Å²	113.1	75%	0.748	66%	0.664	S	S	*	*			trans	-53	113.5	156.4	-177.5	0	0	0	0	106.5	F15 N19	F15-S17 PolarHBondContact O-N 3.19Å; F15-S17 VanDerWaalsContact O-N 3.11Å; S17-N19 PolarHBondContact O-N 3.31Å
18	A	41.8	Very low	57	Low	88 Å²	88	106 Å²	106	73%	0.727	63%	0.627	S	S	*	*			trans	-53.9	126.4	166.9	0	0	0	0	0	107.3	C16 D20	C16-A18 PolarHBondContact O-N 3.45Å; C16-A18 VanDerWaalsContact O-N 3.09Å; A18-D20 PolarHBondContact O-N 3.34Å
19	N	47.6	Very low	58.9	Low	144 Å²	144	102 Å²	102	77%	0.77	61%	0.612	S	S	*	*			trans	-53.8	135.9	172	-76.2	-25.1	0	0	0	108.5	S17 V21	S17-N19 PolarHBondContact O-N 3.31Å; N19-V21 HydrophobicContact CB-CG2 4.43Å; N19-V21 PolarHBondContact O-N 2.72Å
20	D	51	Low	60.7	Low	177 Å²	177	97.9 Å²	97.9	95%	0.947	59%	0.594	S	S	*	*			trans	-60.9	80.8	167	-101	-31.6	0	0	0	108.7	A18 A22	A18-D20 PolarHBondContact O-N 3.34Å; D20-A22 PolarHBondContact O-N 3.31Å
21	V	64.6	Low	62.3	Low	102 Å²	102	100.8 Å²	100.8	62%	0.618	60%	0.6	S	S	*	*			trans	-77.5	110.9	168.4	-178	0	0	0	0	105.7	N19 E23	N19-V21 HydrophobicContact CB-CG2 4.43Å; N19-V21 PolarHBondContact O-N 2.72Å; V21-E23 PolarHBondContact O-N 2.93Å
22	A	77.2	Confident	63.7	Low	70 Å²	70	98.9 Å²	98.9	58%	0.579	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-54.2	139.6	178.4	0	0	0	0	0	110.4	D20 N54	D20-A22 PolarHBondContact O-N 3.31Å; A22-N54 PolarHBondContact O-ND2 3.48Å
23	E	86.7	Confident	65.8	Low	182 Å²	182	97.8 Å²	97.8	85%	0.85	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-61.6	139.5	178.1	-70.8	-164.7	164.6	0	0	110.9	V21 T25	V21-E23 PolarHBondContact O-N 2.93Å; E23-T25 PolarHBondContact O-N 3.38Å
24	P	90	Very high	67.9	Low	55 Å²	55	96 Å²	96	36%	0.357	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-58.2	136.1	177.8	-24.1	31.9	0	0	0	113.1	A26 N54 R56	P24-A26 PolarHBondContact O-N 2.96Å; P24-N54 CarbonylContact C-O 3.21Å; P24-N54 WeakPolarHBondContact CA-O 3.42Å; P24-N54 WeakPolarHBondContact CB-OD1 3.3Å; P24-N54 VanDerWaalsContact CG-OD1 3.3Å; P24-N54 WeakPolarHBondContact CG-OD1 3.22Å; P24-R56 HydrophobicContact CB-CB 3.81Å
25	T	90.3	Very high	70.8	Confident	44 Å²	44	87.8 Å²	87.8	27%	0.27	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	121.7	179	-60.4	0	0	0	0	110.9	E23 V27 L34 L50 T52 N54 L55 R56	E23-T25 PolarHBondContact O-N 3.38Å; T25-V27 HydrophobicContact CG2-CG1 4.16Å; T25-V27 PolarHBondContact O-N 3.27Å; T25-L34 HydrophobicContact CG2-CD1 4.32Å; T25-L50 HydrophobicContact CG2-CD2 4.42Å; T25-T52 WeakPolarHBondContact OG1-CG2 3.47Å; T25-N54 PolarHBondContact N-O 3.35Å; T25-L55 CarbonylContact O-C 3.34Å; T25-L55 WeakPolarHBondContact O-CA 3.38Å; T25-R56 PolarHBondContact O-N 3.32Å
26	A	90.5	Very high	73.3	Confident	44 Å²	44	82 Å²	82	36%	0.364	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	118.3	177	0	0	0	0	0	111.2	P24 R56	P24-A26 PolarHBondContact O-N 2.96Å; A26-R56 WeakPolarHBondContact CA-O 3.33Å
27	V	90.9	Very high	76	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	-20.5	-168	-76.1	0	0	0	0	116.8	T25 S33 C35 L43 L55 R56 V57	T25-V27 HydrophobicContact CG2-CG1 4.16Å; T25-V27 PolarHBondContact O-N 3.27Å; V27-S33 VanDerWaalsContact O-CB 3.32Å; V27-S33 WeakPolarHBondContact O-CB 3.44Å; V27-C35 HydrophobicContact CB-CB 3.96Å; V27-C35 VanDerWaalsContact CB-SG 3.53Å; V27-C35 CarbonylContact O-C 3.56Å; V27-C35 WeakPolarHBondContact O-CA 3.39Å; V27-C35 VanDerWaalsContact O-CB 3.31Å; V27-C35 WeakPolarHBondContact O-CB 3.34Å; V27-C35 PolarHBondContact O-N 2.83Å; V27-L43 HydrophobicContact CG2-CD1 4.39Å; V27-L43 HydrophobicContact CG2-CD2 4.09Å; V27-L55 HydrophobicContact CG1-CB 4.29Å; V27-L55 HydrophobicContact CG1-CD1 4.12Å; V27-L55 HydrophobicContact CG1-CD2 3.64Å; V27-L55 HydrophobicContact CG1-CG 4.2Å; V27-L55 HydrophobicContact CG2-CB 3.83Å; V27-L55 HydrophobicContact CG2-CD1 4.15Å; V27-L55 HydrophobicContact CG2-CG 4.43Å; V27-R56 WeakPolarHBondContact CG2-O 3.42Å; V27-R56 PolarHBondContact N-O 3.21Å; V27-V57 HydrophobicContact CG2-CG2 4.38Å
28	C	87.6	Confident	78.3	Confident	5 Å²	5	81.4 Å²	81.4	3%	0.034	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	154.9	174.1	-152.7	0	0	0	0	111.6	C37 L43 V57 H58	C28-C37 HydrophobicContact CB-CB 3.87Å; C28-C37 WeakPolarHBondContact CB-SG 3.36Å; C28-C37 WeakPolarHBondContact SG-CB 3.42Å; C28-C37 PolarHBondContact SG-N 3.05Å; C28-C37 CovalentContact SG-SG 2.03Å; C28-C37 PolarHBondContact SG-SG 3.03Å; C28-L43 HydrophobicContact CB-CD1 4Å; C28-V57 HydrophobicContact CB-CG1 4.4Å; C28-H58 WeakPolarHBondContact O-CA 3.48Å; C28-H58 WeakPolarHBondContact O-CB 3.39Å; C28-H58 PolarHBondContact O-N 3.25Å
29	G	78.4	Confident	80.5	Confident	45 Å²	45	83.1 Å²	83.1	46%	0.464	48%	0.482	S	S	.	.	S	Bend	trans	95	2.7	177.2	0	0	0	0	0	115.5	H58	G29-H58 WeakPolarHBondContact CA-O 3.04Å
30	T	77.3	Confident	82.6	Confident	70 Å²	70	80.3 Å²	80.3	43%	0.429	48%	0.478	S	S	.	.	S	Bend	trans	-122.7	155.8	176.7	57.7	0	0	0	0	110.9	G32 S33 H58	T30-G32 PolarHBondContact O-N 2.54Å; T30-S33 WeakPolarHBondContact O-CB 3.28Å; T30-S33 PolarHBondContact O-N 3.43Å; T30-H58 HydrophobicContact CG2-CB 4.37Å
31	K	71.9	Confident	84.6	Confident	219 Å²	219	74.4 Å²	74.4	95%	0.952	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	126.7	172.1	-80.3	-175.4	177.1	178.9	0	109.3
32	G	74	Confident	86.1	Confident	79 Å²	79	70.1 Å²	70.1	81%	0.814	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	23.1	-177.7	0	0	0	0	0	114	T30 L34	T30-G32 PolarHBondContact O-N 2.54Å; G32-L34 PolarHBondContact O-N 3.49Å
33	S	78.5	Confident	87.1	Confident	44 Å²	44	66.8 Å²	66.8	31%	0.308	39%	0.393	S	S	.	.			trans	-57.8	133.5	176.2	63.3	0	0	0	0	111.7	V27 T30 C35	V27-S33 VanDerWaalsContact O-CB 3.32Å; V27-S33 WeakPolarHBondContact O-CB 3.44Å; T30-S33 WeakPolarHBondContact O-CB 3.28Å; T30-S33 PolarHBondContact O-N 3.43Å; S33-C35 VanDerWaalsContact C-N 3.28Å; S33-C35 PolarHBondContact O-N 3.19Å; S33-C35 PolarHBondContact OG-O 3.12Å
34	L	88	Confident	87.5	Confident	72 Å²	72	60.4 Å²	60.4	38%	0.377	37%	0.365	S	S	.	.	S	Bend	trans	-64	-36.7	179.2	-65.6	171.3	0	0	0	111.2	T25 G32 Q48 L50	T25-L34 HydrophobicContact CG2-CD1 4.32Å; G32-L34 PolarHBondContact O-N 3.49Å; L34-Q48 HydrophobicContact CB-CB 4.46Å; L34-Q48 WeakPolarHBondContact O-CG 3.4Å; L34-Q48 PolarHBondContact O-OE1 2.97Å; L34-L50 HydrophobicContact CD1-CD2 3.73Å
35	C	93.8	Very high	87.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	35%	0.348	C	S	.	.	S	Bend	trans	-107.9	164.8	-179	-51.2	0	0	0	0	111.9	V27 S33 L43 N44 C45	V27-C35 HydrophobicContact CB-CB 3.96Å; V27-C35 VanDerWaalsContact CB-SG 3.53Å; V27-C35 CarbonylContact O-C 3.56Å; V27-C35 WeakPolarHBondContact O-CA 3.39Å; V27-C35 VanDerWaalsContact O-CB 3.31Å; V27-C35 WeakPolarHBondContact O-CB 3.34Å; V27-C35 PolarHBondContact O-N 2.83Å; S33-C35 VanDerWaalsContact C-N 3.28Å; S33-C35 PolarHBondContact O-N 3.19Å; S33-C35 PolarHBondContact OG-O 3.12Å; C35-L43 HydrophobicContact CB-CD1 3.87Å; C35-N44 CarbonylContact C-O 3.54Å; C35-N44 VanDerWaalsContact CA-O 3.27Å; C35-N44 WeakPolarHBondContact CA-O 3.36Å; C35-N44 VanDerWaalsContact CB-O 3.27Å; C35-N44 WeakPolarHBondContact CB-O 3.36Å; C35-C45 HydrophobicContact CB-CB 3.97Å; C35-C45 WeakPolarHBondContact CB-SG 3.32Å; C35-C45 WeakPolarHBondContact SG-CA 3.43Å; C35-C45 WeakPolarHBondContact SG-CB 3.42Å; C35-C45 CovalentContact SG-SG 2.02Å; C35-C45 PolarHBondContact SG-SG 3.03Å
36	T	91.4	Very high	88.1	Confident	63 Å²	63	59.4 Å²	59.4	39%	0.387	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.8	174.8	70.1	0	0	0	0	111.1	N44	T36-N44 PolarHBondContact N-O 2.7Å; T36-N44 PolarHBondContact O-N 2.92Å
37	C	89.1	Confident	88.4	Confident	26 Å²	26	62.1 Å²	62.1	18%	0.176	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	36.7	175.4	51.8	0	0	0	0	110.6	C28 L43 F62	C28-C37 HydrophobicContact CB-CB 3.87Å; C28-C37 WeakPolarHBondContact CB-SG 3.36Å; C28-C37 WeakPolarHBondContact SG-CB 3.42Å; C28-C37 PolarHBondContact SG-N 3.05Å; C28-C37 CovalentContact SG-SG 2.03Å; C28-C37 PolarHBondContact SG-SG 3.03Å; C37-L43 HydrophobicContact CB-CD1 4.44Å; C37-F62 HydrophobicContact CB-CD1 3.99Å; C37-F62 HydrophobicContact CB-CD2 4.37Å; C37-F62 HydrophobicContact CB-CE1 3.47Å; C37-F62 VanDerWaalsContact CB-CE1 3.47Å; C37-F62 HydrophobicContact CB-CE2 3.94Å; C37-F62 HydrophobicContact CB-CG 4.39Å; C37-F62 HydrophobicContact CB-CZ 3.47Å; C37-F62 VanDerWaalsContact CB-CZ 3.47Å; C37-F62 WeakPolarHBondContact O-CE2 3.14Å
38	E	83.9	Confident	88.6	Confident	180 Å²	180	65.7 Å²	65.7	84%	0.841	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	-28.2	-177.4	-62.7	179.2	169.2	0	0	112.8
39	Q	88.5	Confident	89	Confident	125 Å²	125	72.4 Å²	72.4	58%	0.584	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	137.4	177.1	-69.3	179	11.7	0	0	109.6	N41 V42	Q39-N41 PolarHBondContact O-N 3.1Å; Q39-V42 HydrophobicContact CB-CB 3.98Å; Q39-V42 HydrophobicContact CB-CG2 4.33Å; Q39-V42 PolarHBondContact O-N 3.11Å
40	A	90.4	Very high	89.8	Confident	84 Å²	84	70.6 Å²	70.6	69%	0.694	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	124.6	179.1	0	0	0	0	0	110.7	V42	A40-V42 PolarHBondContact O-N 3.09Å; A40-V42 VanDerWaalsContact O-N 3.14Å
41	N	94.3	Very high	90.7	Very high	53 Å²	53	72.5 Å²	72.5	28%	0.283	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	13.3	176.8	-48.2	-21.7	0	0	0	116.2	Q39 S63 Q65 Q66	Q39-N41 PolarHBondContact O-N 3.1Å; N41-S63 WeakPolarHBondContact CA-O 3.37Å; N41-Q65 HydrophobicContact CB-CB 3.81Å; N41-Q65 HydrophobicContact CB-CG 3.81Å; N41-Q65 VanDerWaalsContact ND2-CD 3.31Å; N41-Q65 PolarHBondContact ND2-OE1 2.96Å; N41-Q65 PolarHBondContact O-N 2.88Å; N41-Q66 PolarHBondContact O-N 3.14Å
42	V	96.3	Very high	91.8	Very high	12 Å²	12	63.5 Å²	63.5	7%	0.073	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.8	179.7	-178	0	0	0	0	109.9	Q39 A40 Q66 N68	Q39-V42 HydrophobicContact CB-CB 3.98Å; Q39-V42 HydrophobicContact CB-CG2 4.33Å; Q39-V42 PolarHBondContact O-N 3.11Å; A40-V42 PolarHBondContact O-N 3.09Å; A40-V42 VanDerWaalsContact O-N 3.14Å; V42-Q66 WeakPolarHBondContact CA-O 3.39Å; V42-Q66 HydrophobicContact CG1-CB 4.42Å; V42-Q66 HydrophobicContact CG2-CB 4.11Å; V42-Q66 HydrophobicContact CG2-CG 4.26Å; V42-N68 WeakPolarHBondContact CG1-ND2 3.1Å
43	L	96.6	Very high	92.9	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	110.4	168.1	-179.7	60.2	0	0	0	109	V27 C28 C35 C37 L55 V57 V64 Q66 L67 N68 L83	V27-L43 HydrophobicContact CG2-CD1 4.39Å; V27-L43 HydrophobicContact CG2-CD2 4.09Å; C28-L43 HydrophobicContact CB-CD1 4Å; C35-L43 HydrophobicContact CB-CD1 3.87Å; C37-L43 HydrophobicContact CB-CD1 4.44Å; L43-L55 HydrophobicContact CD2-CD1 4.44Å; L43-V57 HydrophobicContact CD1-CG2 4.39Å; L43-V57 HydrophobicContact CD2-CG2 3.64Å; L43-V64 HydrophobicContact CB-CG1 3.74Å; L43-V64 HydrophobicContact CB-CG2 4.37Å; L43-Q66 PolarHBondContact N-O 3.2Å; L43-L67 HydrophobicContact CB-CD1 4.26Å; L43-L67 HydrophobicContact CD2-CD1 3.92Å; L43-L67 HydrophobicContact CG-CD1 4.08Å; L43-N68 PolarHBondContact O-N 2.03Å; L43-L83 HydrophobicContact CD2-CD1 3.8Å; L43-L83 HydrophobicContact CD2-CD2 4.3Å
44	N	96.1	Very high	93.7	Very high	48 Å²	48	58.2 Å²	58.2	26%	0.257	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	106.5	-176.7	-173.5	6.2	0	0	0	112.3	C35 T36 K46 N68	C35-N44 CarbonylContact C-O 3.54Å; C35-N44 VanDerWaalsContact CA-O 3.27Å; C35-N44 WeakPolarHBondContact CA-O 3.36Å; C35-N44 VanDerWaalsContact CB-O 3.27Å; C35-N44 WeakPolarHBondContact CB-O 3.36Å; T36-N44 PolarHBondContact N-O 2.7Å; T36-N44 PolarHBondContact O-N 2.92Å; N44-K46 VanDerWaalsContact OD1-CB 3.24Å; N44-K46 WeakPolarHBondContact OD1-CB 3.21Å; N44-K46 PolarHBondContact OD1-N 3.44Å; N44-K46 VanDerWaalsContact OD1-N 3.11Å; N44-N68 HydrophobicContact CB-CB 4.48Å
45	C	96.4	Very high	94	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.291	C	S	.	.			trans	-111.8	23.6	179.5	-67.1	0	0	0	0	112.3	C35 N47 Q48 L50 N68 M69 N72	C35-C45 HydrophobicContact CB-CB 3.97Å; C35-C45 WeakPolarHBondContact CB-SG 3.32Å; C35-C45 WeakPolarHBondContact SG-CA 3.43Å; C35-C45 WeakPolarHBondContact SG-CB 3.42Å; C35-C45 CovalentContact SG-SG 2.02Å; C35-C45 PolarHBondContact SG-SG 3.03Å; C45-N47 PolarHBondContact O-N 3.49Å; C45-Q48 WeakPolarHBondContact O-CG 3.26Å; C45-L50 HydrophobicContact CB-CD1 3.69Å; C45-N68 CarbonylContact C-O 3.48Å; C45-N68 VanDerWaalsContact CA-O 3.29Å; C45-N68 WeakPolarHBondContact CA-O 3.33Å; C45-N68 WeakPolarHBondContact CB-O 3.42Å; C45-N68 PolarHBondContact N-O 3.3Å; C45-M69 HydrophobicContact CB-CG 4.03Å; C45-N72 PolarHBondContact O-ND2 3.07Å
46	K	96.3	Very high	94	Very high	79 Å²	79	61.6 Å²	61.6	34%	0.343	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	132.9	-178.1	175.2	175.8	-172.9	176.8	0	112	N44 Q48 N68 Q70 E71	N44-K46 VanDerWaalsContact OD1-CB 3.24Å; N44-K46 WeakPolarHBondContact OD1-CB 3.21Å; N44-K46 PolarHBondContact OD1-N 3.44Å; N44-K46 VanDerWaalsContact OD1-N 3.11Å; K46-Q48 VanDerWaalsContact C-N 3.34Å; K46-Q48 WeakPolarHBondContact O-CG 3.47Å; K46-Q48 PolarHBondContact O-N 2.96Å; K46-Q48 PolarHBondContact O-NE2 3.04Å; K46-N68 PolarHBondContact N-O 3.24Å; K46-Q70 WeakPolarHBondContact CA-O 3.4Å; K46-Q70 HydrophobicContact CB-CG 4.33Å; K46-Q70 HydrophobicContact CD-CG 3.97Å; K46-Q70 HydrophobicContact CG-CG 3.89Å; K46-E71 WeakPolarHBondContact CE-OE1 3.42Å; K46-E71 WeakPolarHBondContact CE-OE2 3.35Å; K46-E71 IonicContact NZ-OE1 3.2Å; K46-E71 PolarHBondContact NZ-OE1 2.83Å; K46-E71 IonicContact NZ-OE2 2.66Å; K46-E71 PolarHBondContact NZ-OE2 3.25Å
47	N	96.6	Very high	94	Very high	101 Å²	101	59.3 Å²	59.3	54%	0.54	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	46.4	170.6	-171.3	40.8	0	0	0	113.7	C45 Q70 E71	C45-N47 PolarHBondContact O-N 3.49Å; N47-Q70 PolarHBondContact N-O 3.19Å; N47-E71 VanDerWaalsContact CA-O 3.31Å; N47-E71 WeakPolarHBondContact CA-O 3.3Å; N47-E71 HydrophobicContact CB-CB 4.1Å
48	Q	95.5	Very high	93.8	Very high	74 Å²	74	62 Å²	62	35%	0.346	31%	0.312	S	S	.	.	S	Bend	trans	-106.7	8.6	-178.1	-62.4	-53.8	-40.9	0	0	113.2	L34 C45 K46 L50 N72	L34-Q48 HydrophobicContact CB-CB 4.46Å; L34-Q48 WeakPolarHBondContact O-CG 3.4Å; L34-Q48 PolarHBondContact O-OE1 2.97Å; C45-Q48 WeakPolarHBondContact O-CG 3.26Å; K46-Q48 VanDerWaalsContact C-N 3.34Å; K46-Q48 WeakPolarHBondContact O-CG 3.47Å; K46-Q48 PolarHBondContact O-N 2.96Å; K46-Q48 PolarHBondContact O-NE2 3.04Å; Q48-L50 HydrophobicContact CB-CD1 4.09Å; Q48-L50 HydrophobicContact CB-CG 3.95Å; Q48-L50 PolarHBondContact O-N 3.17Å; Q48-N72 PolarHBondContact N-OD1 3.01Å
49	Q	94.9	Very high	93.8	Very high	146 Å²	146	55.3 Å²	55.3	68%	0.682	29%	0.285	S	S	*	.			trans	56.4	34.6	-175.6	-55.1	-178.9	-14.6	0	0	112.1	N72 M73	Q49-N72 PolarHBondContact N-OD1 3.38Å; Q49-N72 VanDerWaalsContact N-OD1 3.15Å; Q49-M73 HydrophobicContact CB-CE 3.89Å; Q49-M73 WeakPolarHBondContact O-CE 3.47Å
50	L	95.7	Very high	93.4	Very high	7 Å²	7	59 Å²	59	4%	0.037	30%	0.302	C	S	.	.			trans	-76.2	132.5	175.5	-67.2	167.6	0	0	0	109.9	T25 L34 C45 Q48 L55 M69 N72 M73 L74	T25-L50 HydrophobicContact CG2-CD2 4.42Å; L34-L50 HydrophobicContact CD1-CD2 3.73Å; C45-L50 HydrophobicContact CB-CD1 3.69Å; Q48-L50 HydrophobicContact CB-CD1 4.09Å; Q48-L50 HydrophobicContact CB-CG 3.95Å; Q48-L50 PolarHBondContact O-N 3.17Å; L50-L55 HydrophobicContact CD1-CD2 4.46Å; L50-M69 HydrophobicContact CB-CE 4.17Å; L50-M69 HydrophobicContact CD1-CE 3.8Å; L50-N72 HydrophobicContact CB-CB 4.33Å; L50-N72 PolarHBondContact N-OD1 2.75Å; L50-N72 WeakPolarHBondContact O-CB 3.18Å; L50-M73 CarbonylContact O-C 3.44Å; L50-M73 WeakPolarHBondContact O-CA 3.43Å; L50-M73 PolarHBondContact O-N 3.44Å; L50-L74 PolarHBondContact O-N 2.8Å
51	D	95.5	Very high	93.1	Very high	111 Å²	111	59.1 Å²	59.1	59%	0.594	31%	0.312	S	S	*	.			trans	-102.4	-6.6	174.8	61.6	-4.9	0	0	0	113	M73 L74	D51-M73 HydrophobicContact CB-CB 4.49Å; D51-L74 VanDerWaalsContact C-CD2 3.5Å
52	T	95.8	Very high	92.8	Very high	30 Å²	30	58 Å²	58	18%	0.184	31%	0.305	C	S	.	.			trans	-130.5	146.8	178.4	-175.2	0	0	0	0	112.9	T25 N54 M69	T25-T52 WeakPolarHBondContact OG1-CG2 3.47Å; T52-N54 VanDerWaalsContact OG1-CB 3.29Å; T52-N54 WeakPolarHBondContact OG1-CB 3.4Å; T52-N54 PolarHBondContact OG1-N 3.06Å; T52-M69 WeakPolarHBondContact O-CE 3.24Å
53	A	96.3	Very high	92.6	Very high	6 Å²	6	59.1 Å²	59.1	5%	0.05	31%	0.313	C	S	.	.			trans	-91.9	-0.7	168.7	0	0	0	0	0	112.8	L55 M69 L74 L77 E81 V82 L83 F95	A53-L55 VanDerWaalsContact C-N 3.3Å; A53-L55 WeakPolarHBondContact O-CG 3.32Å; A53-L55 PolarHBondContact O-N 3.11Å; A53-M69 HydrophobicContact CB-CE 4.49Å; A53-M69 HydrophobicContact CB-SD 4.09Å; A53-L74 HydrophobicContact CB-CD1 4.45Å; A53-L77 HydrophobicContact CB-CD2 4.3Å; A53-E81 CarbonylContact C-O 2.97Å; A53-V82 HydrophobicContact CB-CG2 4.2Å; A53-L83 PolarHBondContact O-N 3.17Å; A53-F95 HydrophobicContact CB-CE1 4.37Å
54	N	96.1	Very high	92.6	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.032	31%	0.313	C	S	.	.			trans	-77	82.6	178.3	-168.5	5.5	0	0	0	109.3	A22 P24 T25 T52 E81 P84	A22-N54 PolarHBondContact O-ND2 3.48Å; P24-N54 CarbonylContact C-O 3.21Å; P24-N54 WeakPolarHBondContact CA-O 3.42Å; P24-N54 WeakPolarHBondContact CB-OD1 3.3Å; P24-N54 VanDerWaalsContact CG-OD1 3.3Å; P24-N54 WeakPolarHBondContact CG-OD1 3.22Å; T25-N54 PolarHBondContact N-O 3.35Å; T52-N54 VanDerWaalsContact OG1-CB 3.29Å; T52-N54 WeakPolarHBondContact OG1-CB 3.4Å; T52-N54 PolarHBondContact OG1-N 3.06Å; N54-E81 WeakPolarHBondContact CA-O 3.49Å; N54-E81 HydrophobicContact CB-CB 4.06Å; N54-E81 HydrophobicContact CB-CG 4.36Å; N54-E81 PolarHBondContact N-O 3.05Å; N54-P84 WeakPolarHBondContact OD1-CG 3.34Å
55	L	94.6	Very high	92.6	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	148.8	-170.4	-56.5	-169.4	0	0	0	111.7	T25 V27 L43 L50 A53 L67 M69 L83	T25-L55 CarbonylContact O-C 3.34Å; T25-L55 WeakPolarHBondContact O-CA 3.38Å; V27-L55 HydrophobicContact CG1-CB 4.29Å; V27-L55 HydrophobicContact CG1-CD1 4.12Å; V27-L55 HydrophobicContact CG1-CD2 3.64Å; V27-L55 HydrophobicContact CG1-CG 4.2Å; V27-L55 HydrophobicContact CG2-CB 3.83Å; V27-L55 HydrophobicContact CG2-CD1 4.15Å; V27-L55 HydrophobicContact CG2-CG 4.43Å; L43-L55 HydrophobicContact CD2-CD1 4.44Å; L50-L55 HydrophobicContact CD1-CD2 4.46Å; A53-L55 VanDerWaalsContact C-N 3.3Å; A53-L55 WeakPolarHBondContact O-CG 3.32Å; A53-L55 PolarHBondContact O-N 3.11Å; L55-L67 HydrophobicContact CD1-CD1 4.12Å; L55-M69 HydrophobicContact CD1-CE 3.92Å; L55-M69 HydrophobicContact CD1-SD 3.82Å; L55-M69 HydrophobicContact CD2-CE 4.36Å; L55-M69 HydrophobicContact CG-CE 4.39Å; L55-M69 HydrophobicContact CG-SD 4.47Å; L55-L83 HydrophobicContact CB-CD1 3.74Å
56	R	92.9	Very high	92.7	Very high	141 Å²	141	63.6 Å²	63.6	53%	0.532	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.7	174	-177.6	174.5	179.3	171.5	2.9	111.9	P24 T25 A26 V27 H58	P24-R56 HydrophobicContact CB-CB 3.81Å; T25-R56 PolarHBondContact O-N 3.32Å; A26-R56 WeakPolarHBondContact CA-O 3.33Å; V27-R56 WeakPolarHBondContact CG2-O 3.42Å; V27-R56 PolarHBondContact N-O 3.21Å; R56-H58 PolarHBondContact NE-NE2 2.76Å
57	V	91.9	Very high	92.7	Very high	15 Å²	15	59.8 Å²	59.8	9%	0.091	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126	178	-179.3	0	0	0	0	109.7	V27 C28 L43 F62 V64 L83 Y86	V27-V57 HydrophobicContact CG2-CG2 4.38Å; C28-V57 HydrophobicContact CB-CG1 4.4Å; L43-V57 HydrophobicContact CD1-CG2 4.39Å; L43-V57 HydrophobicContact CD2-CG2 3.64Å; V57-F62 HydrophobicContact CG1-CD1 4.1Å; V57-V64 HydrophobicContact CG2-CG2 4.33Å; V57-L83 HydrophobicContact CG2-CD1 4.13Å; V57-Y86 HydrophobicContact CB-CE2 4.21Å; V57-Y86 HydrophobicContact CG2-CE2 4.33Å
58	H	85.1	Confident	92.8	Very high	83 Å²	83	56 Å²	56	38%	0.384	30%	0.296	S	S	.	.			trans	-107.5	45.8	177.5	-68	86	0	0	0	111.3	C28 G29 T30 R56	C28-H58 WeakPolarHBondContact O-CA 3.48Å; C28-H58 WeakPolarHBondContact O-CB 3.39Å; C28-H58 PolarHBondContact O-N 3.25Å; G29-H58 WeakPolarHBondContact CA-O 3.04Å; T30-H58 HydrophobicContact CG2-CB 4.37Å; R56-H58 PolarHBondContact NE-NE2 2.76Å
59	S	83.3	Confident	92.9	Very high	40 Å²	40	52.5 Å²	52.5	28%	0.28	28%	0.279	S	S	.	.			trans	-121.3	106	177.7	-170.1	0	0	0	0	108.7	G61 F62	S59-G61 PolarHBondContact O-N 2.79Å; S59-F62 PolarHBondContact O-N 3.45Å
60	E	80.9	Confident	93	Very high	201 Å²	201	46.7 Å²	46.7	94%	0.939	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	128.1	-177.9	-71.1	-171.8	172.8	0	0	111	F62	E60-F62 VanDerWaalsContact C-N 3.27Å; E60-F62 PolarHBondContact O-N 2.89Å
61	G	84.1	Confident	93.1	Very high	88 Å²	88	49.6 Å²	49.6	91%	0.907	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	2.2	179.2	0	0	0	0	0	115.4	S59 S63	S59-G61 PolarHBondContact O-N 2.79Å; G61-S63 PolarHBondContact O-N 2.9Å
62	F	88.7	Confident	93.3	Very high	30 Å²	30	44.6 Å²	44.6	13%	0.132	24%	0.239	C	C	.	.			trans	-81.3	112.6	174.4	-171.7	-105.4	0	0	0	110.6	C37 V57 S59 E60 V64 Y86	C37-F62 HydrophobicContact CB-CD1 3.99Å; C37-F62 HydrophobicContact CB-CD2 4.37Å; C37-F62 HydrophobicContact CB-CE1 3.47Å; C37-F62 VanDerWaalsContact CB-CE1 3.47Å; C37-F62 HydrophobicContact CB-CE2 3.94Å; C37-F62 HydrophobicContact CB-CG 4.39Å; C37-F62 HydrophobicContact CB-CZ 3.47Å; C37-F62 VanDerWaalsContact CB-CZ 3.47Å; C37-F62 WeakPolarHBondContact O-CE2 3.14Å; V57-F62 HydrophobicContact CG1-CD1 4.1Å; S59-F62 PolarHBondContact O-N 3.45Å; E60-F62 VanDerWaalsContact C-N 3.27Å; E60-F62 PolarHBondContact O-N 2.89Å; F62-V64 HydrophobicContact CD1-CG2 3.79Å; F62-V64 HydrophobicContact CE1-CG2 3.71Å; F62-Y86 WeakPolarHBondContact O-CE1 3.29Å; F62-Y86 PolarHBondContact O-OH 3.36Å
63	S	92.4	Very high	93.4	Very high	34 Å²	34	47.2 Å²	47.2	24%	0.238	25%	0.25	C	C	.	.			trans	-80.3	149.8	169.2	172.7	0	0	0	0	110	N41 G61 E89	N41-S63 WeakPolarHBondContact CA-O 3.37Å; G61-S63 PolarHBondContact O-N 2.9Å; S63-E89 WeakPolarHBondContact CA-OE2 3.34Å; S63-E89 VanDerWaalsContact CB-OE2 3.28Å; S63-E89 WeakPolarHBondContact CB-OE2 3.47Å; S63-E89 PolarHBondContact OG-OE2 2.91Å
64	V	95.1	Very high	93.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.			trans	-122.6	107.8	176.5	-172.4	0	0	0	0	109.6	L43 V57 F62 L83 Y86 E89 L90	L43-V64 HydrophobicContact CB-CG1 3.74Å; L43-V64 HydrophobicContact CB-CG2 4.37Å; V57-V64 HydrophobicContact CG2-CG2 4.33Å; F62-V64 HydrophobicContact CD1-CG2 3.79Å; F62-V64 HydrophobicContact CE1-CG2 3.71Å; V64-L83 HydrophobicContact CB-CD2 4Å; V64-L83 HydrophobicContact CG1-CD2 3.68Å; V64-L83 HydrophobicContact CG2-CD2 4.35Å; V64-Y86 HydrophobicContact CB-CD1 3.72Å; V64-Y86 HydrophobicContact CB-CE1 4.2Å; V64-Y86 HydrophobicContact CB-CG 4.17Å; V64-Y86 HydrophobicContact CG2-CD1 3.73Å; V64-Y86 HydrophobicContact CG2-CE1 3.71Å; V64-Y86 HydrophobicContact CG2-CG 4.26Å; V64-E89 PolarHBondContact N-OE2 2.94Å; V64-E89 WeakPolarHBondContact O-CB 3.41Å; V64-L90 HydrophobicContact CG1-CD2 4.13Å
65	Q	96.6	Very high	93.5	Very high	76 Å²	76	49.6 Å²	49.6	36%	0.355	26%	0.264	S	S	.	.	S	Bend	trans	-100.2	-23	174.3	-65.2	177.9	-22.7	0	0	112.4	N41 E89 T91 R92	N41-Q65 HydrophobicContact CB-CB 3.81Å; N41-Q65 HydrophobicContact CB-CG 3.81Å; N41-Q65 VanDerWaalsContact ND2-CD 3.31Å; N41-Q65 PolarHBondContact ND2-OE1 2.96Å; N41-Q65 PolarHBondContact O-N 2.88Å; Q65-E89 WeakPolarHBondContact CA-O 3.4Å; Q65-T91 HydrophobicContact CB-CG2 4.31Å; Q65-T91 PolarHBondContact O-N 3.07Å; Q65-T91 PolarHBondContact O-OG1 2.91Å; Q65-R92 PolarHBondContact O-N 3.13Å; Q65-R92 VanDerWaalsContact O-N 3.11Å
66	Q	97.7	Very high	93.6	Very high	66 Å²	66	52.3 Å²	52.3	31%	0.308	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.8	179.5	-46.5	-171.6	13.4	0	0	110.4	N41 V42 L43 R92	N41-Q66 PolarHBondContact O-N 3.14Å; V42-Q66 WeakPolarHBondContact CA-O 3.39Å; V42-Q66 HydrophobicContact CG1-CB 4.42Å; V42-Q66 HydrophobicContact CG2-CB 4.11Å; V42-Q66 HydrophobicContact CG2-CG 4.26Å; L43-Q66 PolarHBondContact N-O 3.2Å; Q66-R92 WeakPolarHBondContact CA-O 3.46Å; Q66-R92 HydrophobicContact CB-CB 4.2Å; Q66-R92 HydrophobicContact CG-CB 3.99Å
67	L	97.7	Very high	93.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.4	174.5	173.2	60.3	0	0	0	109.6	L43 L55 M69 V82 L83 L90 R92 L93 D94 F95	L43-L67 HydrophobicContact CB-CD1 4.26Å; L43-L67 HydrophobicContact CD2-CD1 3.92Å; L43-L67 HydrophobicContact CG-CD1 4.08Å; L55-L67 HydrophobicContact CD1-CD1 4.12Å; L67-M69 HydrophobicContact CD1-CG 3.63Å; L67-M69 HydrophobicContact CD1-SD 4.06Å; L67-M69 HydrophobicContact CD2-CG 4.19Å; L67-M69 HydrophobicContact CD2-SD 3.86Å; L67-M69 HydrophobicContact CG-CG 3.75Å; L67-M69 HydrophobicContact CG-SD 4.09Å; L67-V82 HydrophobicContact CD2-CG1 4.42Å; L67-L83 HydrophobicContact CD2-CB 4.06Å; L67-L83 HydrophobicContact CD2-CD2 4.4Å; L67-L90 HydrophobicContact CB-CD2 4.1Å; L67-R92 PolarHBondContact N-O 3.04Å; L67-L93 HydrophobicContact CB-CD2 3.65Å; L67-L93 HydrophobicContact CD2-CD2 3.92Å; L67-L93 HydrophobicContact CG-CD2 4.24Å; L67-D94 PolarHBondContact O-N 3.2Å; L67-F95 HydrophobicContact CD2-CE1 4.45Å; L67-F95 HydrophobicContact CD2-CZ 4.44Å
68	N	98	Very high	94	Very high	22 Å²	22	48.3 Å²	48.3	12%	0.118	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	104.1	178.6	-71	-23.5	0	0	0	109.6	V42 L43 N44 C45 K46 Q70	V42-N68 WeakPolarHBondContact CG1-ND2 3.1Å; L43-N68 PolarHBondContact O-N 2.03Å; N44-N68 HydrophobicContact CB-CB 4.48Å; C45-N68 CarbonylContact C-O 3.48Å; C45-N68 VanDerWaalsContact CA-O 3.29Å; C45-N68 WeakPolarHBondContact CA-O 3.33Å; C45-N68 WeakPolarHBondContact CB-O 3.42Å; C45-N68 PolarHBondContact N-O 3.3Å; K46-N68 PolarHBondContact N-O 3.24Å; N68-Q70 VanDerWaalsContact C-OE1 3.28Å
69	M	97.7	Very high	94.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.265	C	S	.	.			trans	-121.5	25.2	-179.4	-69.4	-164.6	77.1	0	0	112.7	C45 L50 T52 A53 L55 L67 N72 L74 D94 F95 N98	C45-M69 HydrophobicContact CB-CG 4.03Å; L50-M69 HydrophobicContact CB-CE 4.17Å; L50-M69 HydrophobicContact CD1-CE 3.8Å; T52-M69 WeakPolarHBondContact O-CE 3.24Å; A53-M69 HydrophobicContact CB-CE 4.49Å; A53-M69 HydrophobicContact CB-SD 4.09Å; L55-M69 HydrophobicContact CD1-CE 3.92Å; L55-M69 HydrophobicContact CD1-SD 3.82Å; L55-M69 HydrophobicContact CD2-CE 4.36Å; L55-M69 HydrophobicContact CG-CE 4.39Å; L55-M69 HydrophobicContact CG-SD 4.47Å; L67-M69 HydrophobicContact CD1-CG 3.63Å; L67-M69 HydrophobicContact CD1-SD 4.06Å; L67-M69 HydrophobicContact CD2-CG 4.19Å; L67-M69 HydrophobicContact CD2-SD 3.86Å; L67-M69 HydrophobicContact CG-CG 3.75Å; L67-M69 HydrophobicContact CG-SD 4.09Å; M69-N72 VanDerWaalsContact C-ND2 3.3Å; M69-N72 PolarHBondContact O-ND2 3.47Å; M69-L74 HydrophobicContact CB-CD1 4.42Å; M69-L74 HydrophobicContact CE-CD1 4.11Å; M69-L74 HydrophobicContact CE-CD2 4.1Å; M69-L74 HydrophobicContact CE-CG 4.5Å; M69-L74 HydrophobicContact SD-CD1 4.37Å; M69-D94 CarbonylContact C-O 2.88Å; M69-D94 WeakPolarHBondContact CA-O 2.98Å; M69-D94 PolarHBondContact N-O 2.85Å; M69-F95 HydrophobicContact CB-CD1 3.85Å; M69-F95 HydrophobicContact CB-CE1 4.1Å; M69-F95 HydrophobicContact CG-CE1 4.3Å; M69-F95 HydrophobicContact SD-CD1 4.41Å; M69-F95 HydrophobicContact SD-CE1 3.81Å; M69-N98 PolarHBondContact O-ND2 2.88Å
70	Q	97.8	Very high	94.8	Very high	23 Å²	23	49.6 Å²	49.6	11%	0.107	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	150.7	178.9	72.5	-79.5	31.3	0	0	112.7	K46 N47 N68 D94 R96	K46-Q70 WeakPolarHBondContact CA-O 3.4Å; K46-Q70 HydrophobicContact CB-CG 4.33Å; K46-Q70 HydrophobicContact CD-CG 3.97Å; K46-Q70 HydrophobicContact CG-CG 3.89Å; N47-Q70 PolarHBondContact N-O 3.19Å; N68-Q70 VanDerWaalsContact C-OE1 3.28Å; Q70-D94 PolarHBondContact N-O 2.94Å; Q70-R96 CarbonylContact C-O 3.39Å; Q70-R96 WeakPolarHBondContact CA-O 3.33Å; Q70-R96 HydrophobicContact CB-CB 4.26Å; Q70-R96 VanDerWaalsContact CB-O 3.3Å; Q70-R96 WeakPolarHBondContact CB-O 3.46Å
71	E	98.2	Very high	95.5	Very high	69 Å²	69	41.9 Å²	41.9	32%	0.322	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	37.5	178.3	-59.2	169	-152.4	0	0	113.5	K46 N47 R96 R97	K46-E71 WeakPolarHBondContact CE-OE1 3.42Å; K46-E71 WeakPolarHBondContact CE-OE2 3.35Å; K46-E71 IonicContact NZ-OE1 3.2Å; K46-E71 PolarHBondContact NZ-OE1 2.83Å; K46-E71 IonicContact NZ-OE2 2.66Å; K46-E71 PolarHBondContact NZ-OE2 3.25Å; N47-E71 VanDerWaalsContact CA-O 3.31Å; N47-E71 WeakPolarHBondContact CA-O 3.3Å; N47-E71 HydrophobicContact CB-CB 4.1Å; E71-R96 PolarHBondContact N-O 3.01Å; E71-R97 VanDerWaalsContact CA-O 3.26Å; E71-R97 WeakPolarHBondContact CA-O 3.44Å; E71-R97 HydrophobicContact CG-CB 3.98Å; E71-R97 HydrophobicContact CG-CG 4.48Å; E71-R97 PolarHBondContact N-O 3.48Å
72	N	98.1	Very high	96	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.027	20%	0.197	C	C	.	.	S	Bend	trans	-108.4	-166.9	175.6	-79.4	-61.2	0	0	0	111.6	C45 Q48 Q49 L50 M69 L74 N98	C45-N72 PolarHBondContact O-ND2 3.07Å; Q48-N72 PolarHBondContact N-OD1 3.01Å; Q49-N72 PolarHBondContact N-OD1 3.38Å; Q49-N72 VanDerWaalsContact N-OD1 3.15Å; L50-N72 HydrophobicContact CB-CB 4.33Å; L50-N72 PolarHBondContact N-OD1 2.75Å; L50-N72 WeakPolarHBondContact O-CB 3.18Å; M69-N72 VanDerWaalsContact C-ND2 3.3Å; M69-N72 PolarHBondContact O-ND2 3.47Å; N72-L74 HydrophobicContact CB-CG 4.49Å; N72-N98 VanDerWaalsContact CA-OD1 3.22Å; N72-N98 WeakPolarHBondContact CA-OD1 3.31Å; N72-N98 WeakPolarHBondContact CB-OD1 3.4Å; N72-N98 PolarHBondContact N-OD1 2.87Å; N72-N98 PolarHBondContact O-OD1 2.87Å
73	M	97.9	Very high	96.3	Very high	85 Å²	85	36.3 Å²	36.3	42%	0.419	19%	0.191	S	C	.	.			trans	-110.5	21.6	-177.2	-58.6	-168.8	-58.4	0	0	113.2	Q49 L50 D51 T75 N98 F99	Q49-M73 HydrophobicContact CB-CE 3.89Å; Q49-M73 WeakPolarHBondContact O-CE 3.47Å; L50-M73 CarbonylContact O-C 3.44Å; L50-M73 WeakPolarHBondContact O-CA 3.43Å; L50-M73 PolarHBondContact O-N 3.44Å; D51-M73 HydrophobicContact CB-CB 4.49Å; M73-T75 PolarHBondContact O-N 3.26Å; M73-N98 PolarHBondContact N-OD1 3.03Å; M73-F99 HydrophobicContact CG-CE2 4.43Å
74	L	97.9	Very high	96.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.			trans	-60.7	129	-178.8	-56.1	179.8	0	0	0	110.2	L50 D51 A53 M69 N72 L77 F95 N98 F99 I100	L50-L74 PolarHBondContact O-N 2.8Å; D51-L74 VanDerWaalsContact C-CD2 3.5Å; A53-L74 HydrophobicContact CB-CD1 4.45Å; M69-L74 HydrophobicContact CB-CD1 4.42Å; M69-L74 HydrophobicContact CE-CD1 4.11Å; M69-L74 HydrophobicContact CE-CD2 4.1Å; M69-L74 HydrophobicContact CE-CG 4.5Å; M69-L74 HydrophobicContact SD-CD1 4.37Å; N72-L74 HydrophobicContact CB-CG 4.49Å; L74-L77 HydrophobicContact CD1-CD2 4.34Å; L74-F95 HydrophobicContact CD1-CD1 3.62Å; L74-F95 HydrophobicContact CD1-CE1 4.07Å; L74-N98 HydrophobicContact CB-CB 4.02Å; L74-N98 WeakPolarHBondContact CB-OD1 3.32Å; L74-N98 VanDerWaalsContact CG-OD1 3.31Å; L74-N98 WeakPolarHBondContact CG-OD1 3.39Å; L74-N98 PolarHBondContact N-OD1 2.91Å; L74-F99 CarbonylContact O-C 3.34Å; L74-F99 VanDerWaalsContact O-CA 3.24Å; L74-F99 WeakPolarHBondContact O-CA 3.2Å; L74-F99 PolarHBondContact O-N 3.39Å; L74-I100 HydrophobicContact CB-CD1 4.29Å; L74-I100 HydrophobicContact CB-CG1 3.92Å; L74-I100 HydrophobicContact CD1-CD1 4.47Å; L74-I100 PolarHBondContact O-N 3.45Å; L74-I100 VanDerWaalsContact O-N 3.08Å
75	T	97.7	Very high	96.3	Very high	63 Å²	63	39.8 Å²	39.8	39%	0.387	22%	0.223	S	C	.	.			trans	-105.3	-25.2	178.8	59.1	0	0	0	0	112.8	M73 F99 I100 H101	M73-T75 PolarHBondContact O-N 3.26Å; T75-F99 HydrophobicContact CG2-CB 4.38Å; T75-I100 VanDerWaalsContact O-CA 3.3Å; T75-I100 WeakPolarHBondContact O-CA 3.42Å; T75-H101 PolarHBondContact O-CE1 3.28Å; T75-H101 VanDerWaalsContact O-CE1 3.23Å; T75-H101 PolarHBondContact O-N 2.92Å; T75-H101 PolarHBondContact O-ND1 3.42Å
76	E	97.1	Very high	96.2	Very high	57 Å²	57	38.2 Å²	38.2	27%	0.266	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	155.9	-179.5	59.3	-171.5	173.3	0	0	110.7	K78 R102	E76-K78 HydrophobicContact CG-CG 4.33Å; E76-K78 WeakPolarHBondContact OE1-CE 3.22Å; E76-K78 IonicContact OE1-NZ 2.7Å; E76-K78 PolarHBondContact OE1-NZ 3.17Å; E76-R102 VanDerWaalsContact CA-O 3.29Å; E76-R102 WeakPolarHBondContact CA-O 3.37Å; E76-R102 HydrophobicContact CB-CB 4.37Å
77	L	96.8	Very high	96	Very high	2 Å²	2	37 Å²	37	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.5	168.5	-61.2	179.4	0	0	0	108.3	A53 L74 V82 F95 I100 R102 I103 E104 V107 F108 L119	A53-L77 HydrophobicContact CB-CD2 4.3Å; L74-L77 HydrophobicContact CD1-CD2 4.34Å; L77-V82 HydrophobicContact CD2-CG2 4.36Å; L77-F95 HydrophobicContact CD1-CD2 3.96Å; L77-F95 HydrophobicContact CD1-CE2 4Å; L77-F95 HydrophobicContact CD1-CG 4.49Å; L77-F95 HydrophobicContact CD2-CD1 4.35Å; L77-F95 HydrophobicContact CD2-CE1 4.19Å; L77-F95 HydrophobicContact CD2-CE2 4.42Å; L77-F95 HydrophobicContact CD2-CZ 4.23Å; L77-I100 HydrophobicContact CD1-CD1 4.12Å; L77-I100 HydrophobicContact CD2-CD1 4.05Å; L77-I100 HydrophobicContact CG-CD1 3.97Å; L77-I100 HydrophobicContact CG-CG2 4.36Å; L77-R102 PolarHBondContact N-O 3.14Å; L77-R102 VanDerWaalsContact N-O 3.16Å; L77-I103 HydrophobicContact CB-CG2 4.39Å; L77-I103 HydrophobicContact CD1-CG1 4.43Å; L77-E104 WeakPolarHBondContact O-CB 3.32Å; L77-E104 PolarHBondContact O-N 3.09Å; L77-V107 HydrophobicContact CB-CG2 4.08Å; L77-F108 HydrophobicContact CD1-CZ 4.06Å; L77-L119 HydrophobicContact CD1-CD2 4.11Å
78	K	94.8	Very high	95.8	Very high	71 Å²	71	43.1 Å²	43.1	31%	0.309	24%	0.237	S	C	.	.			trans	-107.3	145.8	-176.3	-72.7	179.3	178.1	144.5	0	112.5	E76 G80 E81 E104 V107	E76-K78 HydrophobicContact CG-CG 4.33Å; E76-K78 WeakPolarHBondContact OE1-CE 3.22Å; E76-K78 IonicContact OE1-NZ 2.7Å; E76-K78 PolarHBondContact OE1-NZ 3.17Å; K78-G80 PolarHBondContact O-N 2.92Å; K78-E81 HydrophobicContact CB-CB 4.01Å; K78-E81 HydrophobicContact CB-CG 3.92Å; K78-E81 VanDerWaalsContact CD-OE1 3.25Å; K78-E81 WeakPolarHBondContact CD-OE1 2.95Å; K78-E81 WeakPolarHBondContact CD-OE2 3.25Å; K78-E81 PolarHBondContact O-N 3.33Å; K78-E81 VanDerWaalsContact O-N 3.1Å; K78-E104 WeakPolarHBondContact CA-OE2 3.43Å; K78-V107 VanDerWaalsContact C-CG2 3.43Å; K78-V107 WeakPolarHBondContact O-CG2 3.28Å
79	K	92.9	Very high	95.6	Very high	100 Å²	100	45.8 Å²	45.8	44%	0.435	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	128.8	179.1	-179.3	165.2	178.1	154	0	110.8	E81 E104 D109	K79-E81 PolarHBondContact O-N 3.47Å; K79-E104 HydrophobicContact CB-CG 4.44Å; K79-E104 PolarHBondContact N-OE2 2.9Å; K79-D109 IonicContact NZ-OD2 2.91Å; K79-D109 PolarHBondContact NZ-OD2 3.33Å
80	G	92.8	Very high	95.5	Very high	49 Å²	49	45.8 Å²	45.8	51%	0.505	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	6.6	-179.2	0	0	0	0	0	114.8	K78 P84	K78-G80 PolarHBondContact O-N 2.92Å; G80-P84 WeakPolarHBondContact O-CG 3.27Å
81	E	94.9	Very high	95.4	Very high	39 Å²	39	46.3 Å²	46.3	18%	0.182	25%	0.254	C	S	.	.			trans	-107.7	-1.6	177.2	-70.3	-169.7	-167.2	0	0	113.1	A53 N54 K78 K79 L83	A53-E81 CarbonylContact C-O 2.97Å; N54-E81 WeakPolarHBondContact CA-O 3.49Å; N54-E81 HydrophobicContact CB-CB 4.06Å; N54-E81 HydrophobicContact CB-CG 4.36Å; N54-E81 PolarHBondContact N-O 3.05Å; K78-E81 HydrophobicContact CB-CB 4.01Å; K78-E81 HydrophobicContact CB-CG 3.92Å; K78-E81 VanDerWaalsContact CD-OE1 3.25Å; K78-E81 WeakPolarHBondContact CD-OE1 2.95Å; K78-E81 WeakPolarHBondContact CD-OE2 3.25Å; K78-E81 PolarHBondContact O-N 3.33Å; K78-E81 VanDerWaalsContact O-N 3.1Å; K79-E81 PolarHBondContact O-N 3.47Å; E81-L83 PolarHBondContact O-N 3.19Å
82	V	95.7	Very high	95.4	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	25%	0.251	C	S	.	.	S	Bend	trans	-92.5	98.9	178.9	179.3	0	0	0	0	109.8	A53 L67 L77 L93 F95 V107 M111	A53-V82 HydrophobicContact CB-CG2 4.2Å; L67-V82 HydrophobicContact CD2-CG1 4.42Å; L77-V82 HydrophobicContact CD2-CG2 4.36Å; V82-L93 HydrophobicContact CG1-CD1 4.28Å; V82-F95 HydrophobicContact CG1-CZ 3.77Å; V82-V107 HydrophobicContact CG2-CG2 3.85Å; V82-M111 HydrophobicContact CB-CE 3.67Å; V82-M111 HydrophobicContact CG1-CE 3.63Å
83	L	95.3	Very high	95.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	42.8	68	-178.8	-170	69.7	0	0	0	113.4	L43 A53 L55 V57 V64 L67 E81 G85 Y86 L90	L43-L83 HydrophobicContact CD2-CD1 3.8Å; L43-L83 HydrophobicContact CD2-CD2 4.3Å; A53-L83 PolarHBondContact O-N 3.17Å; L55-L83 HydrophobicContact CB-CD1 3.74Å; V57-L83 HydrophobicContact CG2-CD1 4.13Å; V64-L83 HydrophobicContact CB-CD2 4Å; V64-L83 HydrophobicContact CG1-CD2 3.68Å; V64-L83 HydrophobicContact CG2-CD2 4.35Å; L67-L83 HydrophobicContact CD2-CB 4.06Å; L67-L83 HydrophobicContact CD2-CD2 4.4Å; E81-L83 PolarHBondContact O-N 3.19Å; L83-G85 PolarHBondContact O-N 3.27Å; L83-Y86 HydrophobicContact CD1-CD2 4.29Å; L83-Y86 HydrophobicContact CD2-CD2 4.22Å; L83-Y86 HydrophobicContact CD2-CG 4.1Å; L83-Y86 HydrophobicContact CG-CD2 3.9Å; L83-Y86 HydrophobicContact CG-CG 4.23Å; L83-Y86 PolarHBondContact O-N 3.1Å; L83-L90 HydrophobicContact CD2-CD1 4.49Å; L83-L90 HydrophobicContact CD2-CD2 4.16Å
84	P	94.1	Very high	95.5	Very high	44 Å²	44	42.1 Å²	42.1	29%	0.286	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	136.5	-173.5	-22.6	34.2	0	0	0	113	N54 G80 E87	N54-P84 WeakPolarHBondContact OD1-CG 3.34Å; G80-P84 WeakPolarHBondContact O-CG 3.27Å; P84-E87 WeakPolarHBondContact CA-OE1 3.48Å
85	G	93.1	Very high	95.5	Very high	62 Å²	62	42.1 Å²	42.1	64%	0.639	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.1	-10	-179.2	0	0	0	0	0	115.3	L83 E87	L83-G85 PolarHBondContact O-N 3.27Å; G85-E87 VanDerWaalsContact C-OE2 3.3Å; G85-E87 VanDerWaalsContact CA-OE2 3.22Å; G85-E87 WeakPolarHBondContact CA-OE2 3.35Å; G85-E87 VanDerWaalsContact N-CD 3.34Å; G85-E87 PolarHBondContact N-OE1 3.38Å; G85-E87 PolarHBondContact N-OE2 3.25Å
86	Y	94.6	Very high	95.6	Very high	43 Å²	43	43 Å²	43	17%	0.169	23%	0.226	C	C	.	.			trans	-113.4	6.1	177.5	-67.9	-90.7	0	0	0	113.1	V57 F62 V64 L83 Q88 E89 L90	V57-Y86 HydrophobicContact CB-CE2 4.21Å; V57-Y86 HydrophobicContact CG2-CE2 4.33Å; F62-Y86 WeakPolarHBondContact O-CE1 3.29Å; F62-Y86 PolarHBondContact O-OH 3.36Å; V64-Y86 HydrophobicContact CB-CD1 3.72Å; V64-Y86 HydrophobicContact CB-CE1 4.2Å; V64-Y86 HydrophobicContact CB-CG 4.17Å; V64-Y86 HydrophobicContact CG2-CD1 3.73Å; V64-Y86 HydrophobicContact CG2-CE1 3.71Å; V64-Y86 HydrophobicContact CG2-CG 4.26Å; L83-Y86 HydrophobicContact CD1-CD2 4.29Å; L83-Y86 HydrophobicContact CD2-CD2 4.22Å; L83-Y86 HydrophobicContact CD2-CG 4.1Å; L83-Y86 HydrophobicContact CG-CD2 3.9Å; L83-Y86 HydrophobicContact CG-CG 4.23Å; L83-Y86 PolarHBondContact O-N 3.1Å; Y86-Q88 VanDerWaalsContact C-N 3.29Å; Y86-Q88 PolarHBondContact O-N 3.39Å; Y86-E89 PolarHBondContact O-N 3.15Å; Y86-L90 WeakPolarHBondContact O-CG 3.37Å; Y86-L90 PolarHBondContact O-N 3.48Å
87	E	93.7	Very high	95.6	Very high	41 Å²	41	46.6 Å²	46.6	19%	0.192	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-44.5	-170.7	-60.7	89.4	156.3	0	0	112.1	P84 G85 E89 L90 H110 M111	P84-E87 WeakPolarHBondContact CA-OE1 3.48Å; G85-E87 VanDerWaalsContact C-OE2 3.3Å; G85-E87 VanDerWaalsContact CA-OE2 3.22Å; G85-E87 WeakPolarHBondContact CA-OE2 3.35Å; G85-E87 VanDerWaalsContact N-CD 3.34Å; G85-E87 PolarHBondContact N-OE1 3.38Å; G85-E87 PolarHBondContact N-OE2 3.25Å; E87-E89 VanDerWaalsContact C-N 3.27Å; E87-E89 PolarHBondContact O-N 3.36Å; E87-L90 PolarHBondContact O-N 3.48Å; E87-H110 HydrophobicContact CB-CB 3.93Å; E87-H110 HydrophobicContact CG-CB 4.42Å; E87-M111 HydrophobicContact CB-CG 4.11Å; E87-M111 WeakPolarHBondContact O-CA 3.12Å
88	Q	92.7	Very high	95.7	Very high	129 Å²	129	46.7 Å²	46.7	60%	0.603	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-13.3	-178.7	-62.6	-177.2	11.1	0	0	113.6	Y86 N113	Y86-Q88 VanDerWaalsContact C-N 3.29Å; Y86-Q88 PolarHBondContact O-N 3.39Å; Q88-N113 PolarHBondContact O-ND2 2.96Å
89	E	93.9	Very high	95.9	Very high	77 Å²	77	48.8 Å²	48.8	36%	0.36	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-22.1	178.6	-62.3	-177.7	-164.2	0	0	112.4	S63 V64 Q65 Y86 E87 T91	S63-E89 WeakPolarHBondContact CA-OE2 3.34Å; S63-E89 VanDerWaalsContact CB-OE2 3.28Å; S63-E89 WeakPolarHBondContact CB-OE2 3.47Å; S63-E89 PolarHBondContact OG-OE2 2.91Å; V64-E89 PolarHBondContact N-OE2 2.94Å; V64-E89 WeakPolarHBondContact O-CB 3.41Å; Q65-E89 WeakPolarHBondContact CA-O 3.4Å; Y86-E89 PolarHBondContact O-N 3.15Å; E87-E89 VanDerWaalsContact C-N 3.27Å; E87-E89 PolarHBondContact O-N 3.36Å; E89-T91 PolarHBondContact O-N 3.38Å
90	L	95.8	Very high	96.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.			trans	-67.2	123.2	-174.1	-73.3	168	0	0	0	111.8	V64 L67 L83 Y86 E87 L93 M111 N113 L114	V64-L90 HydrophobicContact CG1-CD2 4.13Å; L67-L90 HydrophobicContact CB-CD2 4.1Å; L83-L90 HydrophobicContact CD2-CD1 4.49Å; L83-L90 HydrophobicContact CD2-CD2 4.16Å; Y86-L90 WeakPolarHBondContact O-CG 3.37Å; Y86-L90 PolarHBondContact O-N 3.48Å; E87-L90 PolarHBondContact O-N 3.48Å; L90-L93 HydrophobicContact CD1-CD2 3.98Å; L90-L93 HydrophobicContact CD2-CD2 4.03Å; L90-L93 HydrophobicContact CG-CD2 4.46Å; L90-M111 HydrophobicContact CD1-CE 4.49Å; L90-M111 HydrophobicContact CD1-SD 4.38Å; L90-N113 CarbonylContact O-C 3.32Å; L90-L114 WeakPolarHBondContact O-CA 3.35Å; L90-L114 PolarHBondContact O-N 2.68Å; L90-L114 VanDerWaalsContact O-N 3.17Å
91	T	96.6	Very high	96.4	Very high	34 Å²	34	46.4 Å²	46.4	21%	0.209	22%	0.224	C	C	.	.			trans	-109.6	-22.2	176	65.3	0	0	0	0	112.8	Q65 E89 N113 H115 T116	Q65-T91 HydrophobicContact CB-CG2 4.31Å; Q65-T91 PolarHBondContact O-N 3.07Å; Q65-T91 PolarHBondContact O-OG1 2.91Å; E89-T91 PolarHBondContact O-N 3.38Å; T91-N113 WeakPolarHBondContact CA-O 3.4Å; T91-N113 HydrophobicContact CG2-CB 4.49Å; T91-H115 PolarHBondContact O-N 3.32Å; T91-T116 PolarHBondContact O-N 3.19Å; T91-T116 VanDerWaalsContact O-N 3.13Å
92	R	97.9	Very high	96.4	Very high	70 Å²	70	50.1 Å²	50.1	26%	0.264	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	129.7	-179	179.8	-180	176.3	93.8	-3.8	111.8	Q65 Q66 L67 T116	Q65-R92 PolarHBondContact O-N 3.13Å; Q65-R92 VanDerWaalsContact O-N 3.11Å; Q66-R92 WeakPolarHBondContact CA-O 3.46Å; Q66-R92 HydrophobicContact CB-CB 4.2Å; Q66-R92 HydrophobicContact CG-CB 3.99Å; L67-R92 PolarHBondContact N-O 3.04Å; R92-T116 WeakPolarHBondContact CA-O 3.29Å; R92-T116 HydrophobicContact CG-CG2 4.3Å; R92-T116 VanDerWaalsContact NH1-CG2 3.32Å
93	L	98.2	Very high	96.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.2	172.3	-69.1	-178	0	0	0	110.4	L67 V82 L90 F95 F108 M111 L114 T116 L117 L118	L67-L93 HydrophobicContact CB-CD2 3.65Å; L67-L93 HydrophobicContact CD2-CD2 3.92Å; L67-L93 HydrophobicContact CG-CD2 4.24Å; V82-L93 HydrophobicContact CG1-CD1 4.28Å; L90-L93 HydrophobicContact CD1-CD2 3.98Å; L90-L93 HydrophobicContact CD2-CD2 4.03Å; L90-L93 HydrophobicContact CG-CD2 4.46Å; L93-F95 HydrophobicContact CB-CD2 4.24Å; L93-F95 HydrophobicContact CB-CE2 3.75Å; L93-F95 HydrophobicContact CB-CZ 4.36Å; L93-F95 HydrophobicContact CD1-CE2 3.84Å; L93-F95 HydrophobicContact CD1-CZ 4.25Å; L93-F95 HydrophobicContact CD2-CE2 4.4Å; L93-F95 HydrophobicContact CD2-CZ 4.23Å; L93-F95 HydrophobicContact CG-CE2 4.22Å; L93-F108 HydrophobicContact CD1-CD1 4.11Å; L93-F108 HydrophobicContact CD1-CE1 3.96Å; L93-M111 HydrophobicContact CD1-CE 4.15Å; L93-M111 HydrophobicContact CD1-SD 3.49Å; L93-M111 WeakPolarHBondContact CD1-SD 3.49Å; L93-L114 HydrophobicContact CB-CD1 4.25Å; L93-L114 HydrophobicContact CD1-CD1 4.22Å; L93-L114 HydrophobicContact CD1-CD2 3.84Å; L93-L114 HydrophobicContact CG-CD1 3.81Å; L93-L114 HydrophobicContact CG-CD2 4.32Å; L93-T116 PolarHBondContact N-O 2.87Å; L93-L117 HydrophobicContact CB-CD1 3.84Å; L93-L117 HydrophobicContact CD1-CD1 4.44Å; L93-L118 PolarHBondContact O-N 3Å
94	D	98.6	Very high	96.4	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.011	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	100.8	177.8	-169.3	-13.2	0	0	0	111	L67 M69 Q70 R96 L118	L67-D94 PolarHBondContact O-N 3.2Å; M69-D94 CarbonylContact C-O 2.88Å; M69-D94 WeakPolarHBondContact CA-O 2.98Å; M69-D94 PolarHBondContact N-O 2.85Å; Q70-D94 PolarHBondContact N-O 2.94Å; D94-R96 WeakPolarHBondContact OD1-CB 2.92Å; D94-R96 VanDerWaalsContact OD1-CG 3.23Å; D94-R96 WeakPolarHBondContact OD1-CG 3.27Å; D94-R96 IonicContact OD1-CZ 2.68Å; D94-R96 PolarHBondContact OD1-N 3.11Å; D94-R96 IonicContact OD1-NE 3.3Å; D94-R96 PolarHBondContact OD1-NE 2.92Å; D94-R96 IonicContact OD1-NH2 3.85Å; D94-R96 IonicContact OD2-CZ 3.73Å; D94-R96 VanDerWaalsContact OD2-CZ 3.3Å; D94-R96 IonicContact OD2-NE 2.83Å; D94-R96 PolarHBondContact OD2-NE 3.06Å; D94-R96 IonicContact OD2-NH2 3.79Å; D94-R96 PolarHBondContact OD2-NH2 2.94Å; D94-L118 HydrophobicContact CB-CD1 4.34Å
95	F	98.6	Very high	96.3	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.257	C	S	.	.			trans	-110	20.4	178	-61.9	-63.6	0	0	0	112.4	A53 L67 M69 L74 L77 V82 L93 N98 I100 F108 L117 L118 L119 N122	A53-F95 HydrophobicContact CB-CE1 4.37Å; L67-F95 HydrophobicContact CD2-CE1 4.45Å; L67-F95 HydrophobicContact CD2-CZ 4.44Å; M69-F95 HydrophobicContact CB-CD1 3.85Å; M69-F95 HydrophobicContact CB-CE1 4.1Å; M69-F95 HydrophobicContact CG-CE1 4.3Å; M69-F95 HydrophobicContact SD-CD1 4.41Å; M69-F95 HydrophobicContact SD-CE1 3.81Å; L74-F95 HydrophobicContact CD1-CD1 3.62Å; L74-F95 HydrophobicContact CD1-CE1 4.07Å; L77-F95 HydrophobicContact CD1-CD2 3.96Å; L77-F95 HydrophobicContact CD1-CE2 4Å; L77-F95 HydrophobicContact CD1-CG 4.49Å; L77-F95 HydrophobicContact CD2-CD1 4.35Å; L77-F95 HydrophobicContact CD2-CE1 4.19Å; L77-F95 HydrophobicContact CD2-CE2 4.42Å; L77-F95 HydrophobicContact CD2-CZ 4.23Å; V82-F95 HydrophobicContact CG1-CZ 3.77Å; L93-F95 HydrophobicContact CB-CD2 4.24Å; L93-F95 HydrophobicContact CB-CE2 3.75Å; L93-F95 HydrophobicContact CB-CZ 4.36Å; L93-F95 HydrophobicContact CD1-CE2 3.84Å; L93-F95 HydrophobicContact CD1-CZ 4.25Å; L93-F95 HydrophobicContact CD2-CE2 4.4Å; L93-F95 HydrophobicContact CD2-CZ 4.23Å; L93-F95 HydrophobicContact CG-CE2 4.22Å; F95-N98 PolarHBondContact O-ND2 3.32Å; F95-I100 HydrophobicContact CB-CD1 3.8Å; F95-I100 HydrophobicContact CG-CD1 4.33Å; F95-F108 HydrophobicContact CE2-CE1 4.49Å; F95-L117 HydrophobicContact CD2-CD1 4.18Å; F95-L117 HydrophobicContact CE2-CD1 4.37Å; F95-L118 PolarHBondContact N-O 2.74Å; F95-L119 HydrophobicContact CB-CD2 4.01Å; F95-L119 HydrophobicContact CD2-CD2 4.15Å; F95-N122 PolarHBondContact O-ND2 3.2Å
96	R	98.7	Very high	96.2	Very high	80 Å²	80	51.3 Å²	51.3	30%	0.302	23%	0.229	S	C	.	.			trans	-61.5	150.5	-175.6	-65.7	179.2	-69.6	173.9	1.3	112.1	Q70 E71 D94 N98 L118 S120	Q70-R96 CarbonylContact C-O 3.39Å; Q70-R96 WeakPolarHBondContact CA-O 3.33Å; Q70-R96 HydrophobicContact CB-CB 4.26Å; Q70-R96 VanDerWaalsContact CB-O 3.3Å; Q70-R96 WeakPolarHBondContact CB-O 3.46Å; E71-R96 PolarHBondContact N-O 3.01Å; D94-R96 WeakPolarHBondContact OD1-CB 2.92Å; D94-R96 VanDerWaalsContact OD1-CG 3.23Å; D94-R96 WeakPolarHBondContact OD1-CG 3.27Å; D94-R96 IonicContact OD1-CZ 2.68Å; D94-R96 PolarHBondContact OD1-N 3.11Å; D94-R96 IonicContact OD1-NE 3.3Å; D94-R96 PolarHBondContact OD1-NE 2.92Å; D94-R96 IonicContact OD1-NH2 3.85Å; D94-R96 IonicContact OD2-CZ 3.73Å; D94-R96 VanDerWaalsContact OD2-CZ 3.3Å; D94-R96 IonicContact OD2-NE 2.83Å; D94-R96 PolarHBondContact OD2-NE 3.06Å; D94-R96 IonicContact OD2-NH2 3.79Å; D94-R96 PolarHBondContact OD2-NH2 2.94Å; R96-N98 PolarHBondContact O-N 2.93Å; R96-N98 PolarHBondContact O-ND2 2.02Å; R96-L118 HydrophobicContact CG-CB 3.65Å; R96-S120 CarbonylContact C-O 3.38Å; R96-S120 WeakPolarHBondContact CA-O 3.24Å; R96-S120 WeakPolarHBondContact CD-OG 3.34Å; R96-S120 VanDerWaalsContact CG-OG 3.27Å; R96-S120 WeakPolarHBondContact CG-OG 3.12Å
97	R	98.7	Very high	96.2	Very high	133 Å²	133	49.7 Å²	49.7	50%	0.502	22%	0.223	S	C	.	.	S	Bend	trans	57.3	48.3	176.1	-54.7	178.2	-178.2	-74.1	-9.8	112.5	E71 S120 H121	E71-R97 VanDerWaalsContact CA-O 3.26Å; E71-R97 WeakPolarHBondContact CA-O 3.44Å; E71-R97 HydrophobicContact CG-CB 3.98Å; E71-R97 HydrophobicContact CG-CG 4.48Å; E71-R97 PolarHBondContact N-O 3.48Å; R97-S120 PolarHBondContact N-O 3Å; R97-H121 VanDerWaalsContact CA-O 3.28Å; R97-H121 WeakPolarHBondContact CA-O 3.37Å; R97-H121 HydrophobicContact CB-CB 4.45Å; R97-H121 HydrophobicContact CG-CB 3.84Å; R97-H121 PolarHBondContact N-O 3.06Å
98	N	98.7	Very high	96.2	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	22%	0.215	C	C	.	.	S	Bend	trans	-112.3	-168.2	168.2	-82.4	-82.1	0	0	0	109.5	M69 N72 M73 L74 F95 R96 I100 N122	M69-N98 PolarHBondContact O-ND2 2.88Å; N72-N98 VanDerWaalsContact CA-OD1 3.22Å; N72-N98 WeakPolarHBondContact CA-OD1 3.31Å; N72-N98 WeakPolarHBondContact CB-OD1 3.4Å; N72-N98 PolarHBondContact N-OD1 2.87Å; N72-N98 PolarHBondContact O-OD1 2.87Å; M73-N98 PolarHBondContact N-OD1 3.03Å; L74-N98 HydrophobicContact CB-CB 4.02Å; L74-N98 WeakPolarHBondContact CB-OD1 3.32Å; L74-N98 VanDerWaalsContact CG-OD1 3.31Å; L74-N98 WeakPolarHBondContact CG-OD1 3.39Å; L74-N98 PolarHBondContact N-OD1 2.91Å; F95-N98 PolarHBondContact O-ND2 3.32Å; R96-N98 PolarHBondContact O-N 2.93Å; R96-N98 PolarHBondContact O-ND2 2.02Å; N98-I100 HydrophobicContact CB-CD1 4.12Å; N98-I100 HydrophobicContact CB-CG1 3.97Å; N98-N122 VanDerWaalsContact CA-OD1 3.26Å; N98-N122 WeakPolarHBondContact CA-OD1 3.43Å; N98-N122 WeakPolarHBondContact CB-OD1 3.27Å; N98-N122 PolarHBondContact N-OD1 2.66Å; N98-N122 PolarHBondContact O-OD1 2.78Å
99	F	98.5	Very high	96.1	Very high	115 Å²	115	43 Å²	43	50%	0.504	19%	0.193	S	C	.	.			trans	-110.7	27.6	175.4	-56.4	-83.6	0	0	0	111.8	M73 L74 T75 H101	M73-F99 HydrophobicContact CG-CE2 4.43Å; L74-F99 CarbonylContact O-C 3.34Å; L74-F99 VanDerWaalsContact O-CA 3.24Å; L74-F99 WeakPolarHBondContact O-CA 3.2Å; L74-F99 PolarHBondContact O-N 3.39Å; T75-F99 HydrophobicContact CG2-CB 4.38Å; F99-H101 PolarHBondContact O-N 3.21Å
100	I	98.4	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.201	C	C	.	.			trans	-63.9	113.3	-174	-60.9	166.1	0	0	0	108.5	L74 T75 L77 F95 N98 R102 I103 L119 N122 K123 I124	L74-I100 HydrophobicContact CB-CD1 4.29Å; L74-I100 HydrophobicContact CB-CG1 3.92Å; L74-I100 HydrophobicContact CD1-CD1 4.47Å; L74-I100 PolarHBondContact O-N 3.45Å; L74-I100 VanDerWaalsContact O-N 3.08Å; T75-I100 VanDerWaalsContact O-CA 3.3Å; T75-I100 WeakPolarHBondContact O-CA 3.42Å; L77-I100 HydrophobicContact CD1-CD1 4.12Å; L77-I100 HydrophobicContact CD2-CD1 4.05Å; L77-I100 HydrophobicContact CG-CD1 3.97Å; L77-I100 HydrophobicContact CG-CG2 4.36Å; F95-I100 HydrophobicContact CB-CD1 3.8Å; F95-I100 HydrophobicContact CG-CD1 4.33Å; N98-I100 HydrophobicContact CB-CD1 4.12Å; N98-I100 HydrophobicContact CB-CG1 3.97Å; I100-R102 WeakPolarHBondContact CG2-O 3.2Å; I100-I103 HydrophobicContact CG2-CG1 3.91Å; I100-L119 HydrophobicContact CD1-CD2 4.19Å; I100-N122 HydrophobicContact CB-CB 4.16Å; I100-N122 WeakPolarHBondContact CB-OD1 3.31Å; I100-N122 WeakPolarHBondContact CG1-OD1 3.3Å; I100-N122 PolarHBondContact N-OD1 3.46Å; I100-K123 CarbonylContact O-C 3.42Å; I100-K123 VanDerWaalsContact O-CA 3.28Å; I100-K123 WeakPolarHBondContact O-CA 3.47Å; I100-K123 PolarHBondContact O-N 3.32Å; I100-I124 HydrophobicContact CG2-CG1 4.25Å; I100-I124 WeakPolarHBondContact O-CG1 3.46Å; I100-I124 PolarHBondContact O-N 3.44Å
101	H	97.5	Very high	95.8	Very high	99 Å²	99	45.1 Å²	45.1	46%	0.458	20%	0.203	S	C	.	.			trans	-109.9	-16.3	177	65	-76.7	0	0	0	112.4	T75 F99 K123	T75-H101 PolarHBondContact O-CE1 3.28Å; T75-H101 VanDerWaalsContact O-CE1 3.23Å; T75-H101 PolarHBondContact O-N 2.92Å; T75-H101 PolarHBondContact O-ND1 3.42Å; F99-H101 PolarHBondContact O-N 3.21Å; H101-K123 WeakPolarHBondContact CA-O 3.39Å; H101-K123 HydrophobicContact CB-CB 3.99Å
102	R	96.1	Very high	95.5	Very high	117 Å²	117	48 Å²	48	44%	0.442	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137	179.3	-173.4	179.1	-178.1	-161.7	-3.7	110.8	E76 L77 I100	E76-R102 VanDerWaalsContact CA-O 3.29Å; E76-R102 WeakPolarHBondContact CA-O 3.37Å; E76-R102 HydrophobicContact CB-CB 4.37Å; L77-R102 PolarHBondContact N-O 3.14Å; L77-R102 VanDerWaalsContact N-O 3.16Å; I100-R102 WeakPolarHBondContact CG2-O 3.2Å
103	I	96.6	Very high	95.3	Very high	7 Å²	7	48.2 Å²	48.2	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.5	169.7	-56.7	178.2	0	0	0	105.7	L77 I100 V107 F108 L119 I124 V131	L77-I103 HydrophobicContact CB-CG2 4.39Å; L77-I103 HydrophobicContact CD1-CG1 4.43Å; I100-I103 HydrophobicContact CG2-CG1 3.91Å; I103-V107 HydrophobicContact CG2-CG1 3.59Å; I103-F108 HydrophobicContact CG2-CE2 4.06Å; I103-F108 HydrophobicContact CG2-CZ 4.41Å; I103-L119 HydrophobicContact CD1-CD1 3.76Å; I103-L119 HydrophobicContact CD1-CD2 4.17Å; I103-I124 HydrophobicContact CD1-CD1 3.71Å; I103-I124 HydrophobicContact CD1-CG1 4.35Å; I103-I124 HydrophobicContact CG1-CD1 4.48Å; I103-V131 HydrophobicContact CB-CG1 4.21Å; I103-V131 HydrophobicContact CG2-CG1 3.72Å
104	E	93.8	Very high	95.2	Very high	73 Å²	73	48.2 Å²	48.2	34%	0.341	22%	0.222	S	C	.	.			trans	-69.7	142.6	178.2	-167.6	178.4	175.3	0	0	111	L77 K78 K79 G106 V107	L77-E104 WeakPolarHBondContact O-CB 3.32Å; L77-E104 PolarHBondContact O-N 3.09Å; K78-E104 WeakPolarHBondContact CA-OE2 3.43Å; K79-E104 HydrophobicContact CB-CG 4.44Å; K79-E104 PolarHBondContact N-OE2 2.9Å; E104-G106 PolarHBondContact O-N 3.22Å; E104-V107 WeakPolarHBondContact O-CB 3.42Å; E104-V107 PolarHBondContact O-N 3.32Å
105	S	91.9	Very high	95.1	Very high	48 Å²	48	52 Å²	52	34%	0.336	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	136.8	174.6	-55.7	0	0	0	0	111.2	V107 L129	S105-V107 VanDerWaalsContact C-N 3.28Å; S105-V107 PolarHBondContact O-N 2.98Å; S105-L129 PolarHBondContact OG-O 3.11Å
106	G	90.8	Very high	95.1	Very high	6 Å²	6	53.2 Å²	53.2	6%	0.062	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	16.7	-179.6	0	0	0	0	0	115.6	E104 F108 D109 G130	E104-G106 PolarHBondContact O-N 3.22Å; G106-F108 PolarHBondContact O-N 2.91Å; G106-F108 VanDerWaalsContact O-N 3.17Å; G106-D109 VanDerWaalsContact CA-OD1 3.24Å; G106-D109 WeakPolarHBondContact CA-OD1 2.85Å; G106-D109 VanDerWaalsContact CA-OD2 3.26Å; G106-D109 WeakPolarHBondContact CA-OD2 3.44Å; G106-D109 WeakPolarHBondContact O-CB 3.44Å; G106-D109 PolarHBondContact O-N 2.89Å; G106-G130 PolarHBondContact N-O 3.35Å
107	V	93.9	Very high	95	Very high	8 Å²	8	49.4 Å²	49.4	5%	0.048	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.4	176.3	77.8	0	0	0	0	112.9	L77 K78 V82 I103 E104 S105	L77-V107 HydrophobicContact CB-CG2 4.08Å; K78-V107 VanDerWaalsContact C-CG2 3.43Å; K78-V107 WeakPolarHBondContact O-CG2 3.28Å; V82-V107 HydrophobicContact CG2-CG2 3.85Å; I103-V107 HydrophobicContact CG2-CG1 3.59Å; E104-V107 WeakPolarHBondContact O-CB 3.42Å; E104-V107 PolarHBondContact O-N 3.32Å; S105-V107 VanDerWaalsContact C-N 3.28Å; S105-V107 PolarHBondContact O-N 2.98Å
108	F	93.8	Very high	95.1	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.009	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	6.1	-179.2	-51.4	-63.1	0	0	0	113.6	L77 L93 F95 I103 G106 H110 M111 L114 L117 F132 M135	L77-F108 HydrophobicContact CD1-CZ 4.06Å; L93-F108 HydrophobicContact CD1-CD1 4.11Å; L93-F108 HydrophobicContact CD1-CE1 3.96Å; F95-F108 HydrophobicContact CE2-CE1 4.49Å; I103-F108 HydrophobicContact CG2-CE2 4.06Å; I103-F108 HydrophobicContact CG2-CZ 4.41Å; G106-F108 PolarHBondContact O-N 2.91Å; G106-F108 VanDerWaalsContact O-N 3.17Å; F108-H110 PolarHBondContact O-N 2.86Å; F108-M111 HydrophobicContact CB-SD 4.3Å; F108-M111 HydrophobicContact CD1-CE 4.07Å; F108-M111 HydrophobicContact CD1-SD 3.67Å; F108-M111 HydrophobicContact CG-SD 4.48Å; F108-M111 WeakPolarHBondContact O-CB 3.48Å; F108-M111 PolarHBondContact O-N 3.46Å; F108-L114 HydrophobicContact CD1-CD2 4.26Å; F108-L117 HydrophobicContact CD2-CD2 4.28Å; F108-L117 HydrophobicContact CE1-CD1 4.05Å; F108-L117 HydrophobicContact CE1-CD2 4.25Å; F108-L117 HydrophobicContact CE2-CD2 3.72Å; F108-L117 HydrophobicContact CZ-CD1 4Å; F108-L117 HydrophobicContact CZ-CD2 3.7Å; F108-F132 HydrophobicContact CD2-CD1 4.13Å; F108-F132 HydrophobicContact CD2-CE1 4.36Å; F108-F132 HydrophobicContact CE2-CD1 4.27Å; F108-F132 HydrophobicContact CE2-CE1 4.05Å; F108-M135 HydrophobicContact CB-CE 3.96Å; F108-M135 HydrophobicContact CB-CG 4.08Å; F108-M135 HydrophobicContact CB-SD 3.52Å; F108-M135 VanDerWaalsContact CB-SD 3.52Å; F108-M135 HydrophobicContact CD2-SD 3.79Å; F108-M135 HydrophobicContact CG-CE 4.27Å; F108-M135 HydrophobicContact CG-SD 3.92Å
109	D	90.6	Very high	95	Very high	27 Å²	27	43.1 Å²	43.1	14%	0.144	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-37.2	-170.6	-81	-22.1	0	0	0	114.2	K79 G106 N134	K79-D109 IonicContact NZ-OD2 2.91Å; K79-D109 PolarHBondContact NZ-OD2 3.33Å; G106-D109 VanDerWaalsContact CA-OD1 3.24Å; G106-D109 WeakPolarHBondContact CA-OD1 2.85Å; G106-D109 VanDerWaalsContact CA-OD2 3.26Å; G106-D109 WeakPolarHBondContact CA-OD2 3.44Å; G106-D109 WeakPolarHBondContact O-CB 3.44Å; G106-D109 PolarHBondContact O-N 2.89Å; D109-N134 PolarHBondContact OD1-ND2 3.09Å
110	H	90.5	Very high	95.1	Very high	116 Å²	116	38 Å²	38	54%	0.537	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	2.2	-175.4	-57.3	133.7	0	0	0	113.8	E87 F108 I112	E87-H110 HydrophobicContact CB-CB 3.93Å; E87-H110 HydrophobicContact CG-CB 4.42Å; F108-H110 PolarHBondContact O-N 2.86Å; H110-I112 VanDerWaalsContact C-N 3.25Å; H110-I112 PolarHBondContact O-N 2.77Å; H110-I112 VanDerWaalsContact O-N 3.11Å
111	M	93.5	Very high	95.1	Very high	7 Å²	7	41 Å²	41	3%	0.034	20%	0.201	C	C	.	.			trans	-90.7	57.4	-176	-55.3	-179.7	-170	0	0	111.7	V82 E87 L90 L93 F108 N113 L114	V82-M111 HydrophobicContact CB-CE 3.67Å; V82-M111 HydrophobicContact CG1-CE 3.63Å; E87-M111 HydrophobicContact CB-CG 4.11Å; E87-M111 WeakPolarHBondContact O-CA 3.12Å; L90-M111 HydrophobicContact CD1-CE 4.49Å; L90-M111 HydrophobicContact CD1-SD 4.38Å; L93-M111 HydrophobicContact CD1-CE 4.15Å; L93-M111 HydrophobicContact CD1-SD 3.49Å; L93-M111 WeakPolarHBondContact CD1-SD 3.49Å; F108-M111 HydrophobicContact CB-SD 4.3Å; F108-M111 HydrophobicContact CD1-CE 4.07Å; F108-M111 HydrophobicContact CD1-SD 3.67Å; F108-M111 HydrophobicContact CG-SD 4.48Å; F108-M111 WeakPolarHBondContact O-CB 3.48Å; F108-M111 PolarHBondContact O-N 3.46Å; M111-N113 PolarHBondContact O-N 2.85Å; M111-L114 HydrophobicContact CB-CB 3.92Å; M111-L114 HydrophobicContact CB-CD2 4.21Å; M111-L114 WeakPolarHBondContact O-CB 3.2Å; M111-L114 PolarHBondContact O-N 3.03Å; M111-L114 HydrophobicContact SD-CD2 4.03Å
112	I	90.8	Very high	95.1	Very high	94 Å²	94	36.3 Å²	36.3	48%	0.482	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.3	-170.5	60.1	171.9	0	0	0	114.6	H110	H110-I112 VanDerWaalsContact C-N 3.25Å; H110-I112 PolarHBondContact O-N 2.77Å; H110-I112 VanDerWaalsContact O-N 3.11Å
113	N	93	Very high	95.2	Very high	75 Å²	75	35.6 Å²	35.6	40%	0.401	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	5.9	-180	-70.1	-49.4	0	0	0	113	Q88 L90 T91 M111 H115	Q88-N113 PolarHBondContact O-ND2 2.96Å; L90-N113 CarbonylContact O-C 3.32Å; T91-N113 WeakPolarHBondContact CA-O 3.4Å; T91-N113 HydrophobicContact CG2-CB 4.49Å; M111-N113 PolarHBondContact O-N 2.85Å; N113-H115 PolarHBondContact O-CD2 2.84Å; N113-H115 PolarHBondContact O-N 3.41Å
114	L	95.9	Very high	95.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.			trans	-71.5	113.5	-175.2	-175.5	59.9	0	0	0	111	L90 L93 F108 M111 M135 G138 L139	L90-L114 WeakPolarHBondContact O-CA 3.35Å; L90-L114 PolarHBondContact O-N 2.68Å; L90-L114 VanDerWaalsContact O-N 3.17Å; L93-L114 HydrophobicContact CB-CD1 4.25Å; L93-L114 HydrophobicContact CD1-CD1 4.22Å; L93-L114 HydrophobicContact CD1-CD2 3.84Å; L93-L114 HydrophobicContact CG-CD1 3.81Å; L93-L114 HydrophobicContact CG-CD2 4.32Å; F108-L114 HydrophobicContact CD1-CD2 4.26Å; M111-L114 HydrophobicContact CB-CB 3.92Å; M111-L114 HydrophobicContact CB-CD2 4.21Å; M111-L114 WeakPolarHBondContact O-CB 3.2Å; M111-L114 PolarHBondContact O-N 3.03Å; M111-L114 HydrophobicContact SD-CD2 4.03Å; L114-M135 HydrophobicContact CD2-CE 3.62Å; L114-M135 HydrophobicContact CG-CE 4.26Å; L114-G138 CarbonylContact O-C 3.48Å; L114-G138 WeakPolarHBondContact O-CA 3.3Å; L114-L139 HydrophobicContact CG-CD1 4.2Å; L114-L139 VanDerWaalsContact O-CA 3.27Å; L114-L139 WeakPolarHBondContact O-CA 3.42Å; L114-L139 PolarHBondContact O-N 3.16Å; L114-L139 VanDerWaalsContact O-N 3.15Å
115	H	96.9	Very high	95.4	Very high	82 Å²	82	37.9 Å²	37.9	38%	0.38	19%	0.189	S	C	.	.			trans	-100.9	-31.4	-179.3	-65.4	-52.5	0	0	0	113.7	T91 N113 G138 T140 F141	T91-H115 PolarHBondContact O-N 3.32Å; N113-H115 PolarHBondContact O-CD2 2.84Å; N113-H115 PolarHBondContact O-N 3.41Å; H115-G138 WeakPolarHBondContact CA-O 3.43Å; H115-G138 PolarHBondContact ND1-O 3.36Å; H115-T140 PolarHBondContact O-N 3.1Å; H115-T140 PolarHBondContact O-OG1 3.12Å; H115-T140 VanDerWaalsContact O-OG1 3.07Å; H115-F141 PolarHBondContact O-N 3.37Å
116	T	98.2	Very high	95.6	Very high	25 Å²	25	43.4 Å²	43.4	15%	0.153	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	123.3	-176	-58.3	0	0	0	0	111.6	T91 R92 L93 L118 F141	T91-T116 PolarHBondContact O-N 3.19Å; T91-T116 VanDerWaalsContact O-N 3.13Å; R92-T116 WeakPolarHBondContact CA-O 3.29Å; R92-T116 HydrophobicContact CG-CG2 4.3Å; R92-T116 VanDerWaalsContact NH1-CG2 3.32Å; L93-T116 PolarHBondContact N-O 2.87Å; T116-L118 HydrophobicContact CG2-CD2 3.76Å; T116-L118 HydrophobicContact CG2-CG 3.93Å; T116-F141 WeakPolarHBondContact CA-O 3.33Å; T116-F141 HydrophobicContact CG2-CB 4.19Å; T116-F141 HydrophobicContact CG2-CD1 3.87Å; T116-F141 HydrophobicContact CG2-CG 4.27Å
117	L	98	Very high	95.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	117.4	175.2	179	58.6	0	0	0	109.9	L93 F95 F108 L119 F132 L139 F141 L142 D143	L93-L117 HydrophobicContact CB-CD1 3.84Å; L93-L117 HydrophobicContact CD1-CD1 4.44Å; F95-L117 HydrophobicContact CD2-CD1 4.18Å; F95-L117 HydrophobicContact CE2-CD1 4.37Å; F108-L117 HydrophobicContact CD2-CD2 4.28Å; F108-L117 HydrophobicContact CE1-CD1 4.05Å; F108-L117 HydrophobicContact CE1-CD2 4.25Å; F108-L117 HydrophobicContact CE2-CD2 3.72Å; F108-L117 HydrophobicContact CZ-CD1 4Å; F108-L117 HydrophobicContact CZ-CD2 3.7Å; L117-L119 HydrophobicContact CD1-CD1 4.21Å; L117-L119 HydrophobicContact CD1-CG 4.14Å; L117-L119 HydrophobicContact CD2-CD1 3.81Å; L117-L119 HydrophobicContact CG-CD1 3.84Å; L117-L119 HydrophobicContact CG-CG 4.11Å; L117-F132 HydrophobicContact CD2-CD1 4.46Å; L117-F132 HydrophobicContact CD2-CE1 3.76Å; L117-L139 HydrophobicContact CB-CD1 3.73Å; L117-F141 PolarHBondContact N-O 3Å; L117-L142 HydrophobicContact CB-CD1 4.08Å; L117-L142 HydrophobicContact CD2-CD1 3.96Å; L117-L142 HydrophobicContact CG-CD1 4.02Å; L117-D143 PolarHBondContact O-N 3.01Å
118	L	98.8	Very high	95.2	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.8	-179.9	-50.6	-179.8	0	0	0	110.6	L93 D94 F95 R96 T116 F141 D143	L93-L118 PolarHBondContact O-N 3Å; D94-L118 HydrophobicContact CB-CD1 4.34Å; F95-L118 PolarHBondContact N-O 2.74Å; R96-L118 HydrophobicContact CG-CB 3.65Å; T116-L118 HydrophobicContact CG2-CD2 3.76Å; T116-L118 HydrophobicContact CG2-CG 3.93Å; L118-F141 HydrophobicContact CD2-CD1 3.74Å; L118-F141 HydrophobicContact CD2-CE1 3.48Å; L118-F141 VanDerWaalsContact CD2-CE1 3.48Å; L118-D143 HydrophobicContact CD2-CB 3.66Å
119	L	98.6	Very high	94.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.238	C	C	.	.			trans	-124.1	13	-176.4	-75.8	164.2	0	0	0	112.2	L77 F95 I100 I103 L117 N122 I124 D143 L144 N147	L77-L119 HydrophobicContact CD1-CD2 4.11Å; F95-L119 HydrophobicContact CB-CD2 4.01Å; F95-L119 HydrophobicContact CD2-CD2 4.15Å; I100-L119 HydrophobicContact CD1-CD2 4.19Å; I103-L119 HydrophobicContact CD1-CD1 3.76Å; I103-L119 HydrophobicContact CD1-CD2 4.17Å; L117-L119 HydrophobicContact CD1-CD1 4.21Å; L117-L119 HydrophobicContact CD1-CG 4.14Å; L117-L119 HydrophobicContact CD2-CD1 3.81Å; L117-L119 HydrophobicContact CG-CD1 3.84Å; L117-L119 HydrophobicContact CG-CG 4.11Å; L119-N122 WeakPolarHBondContact O-CB 3.42Å; L119-N122 PolarHBondContact O-ND2 2.95Å; L119-I124 HydrophobicContact CB-CD1 4.14Å; L119-I124 HydrophobicContact CD1-CD1 4.42Å; L119-I124 HydrophobicContact CD2-CD1 4.36Å; L119-D143 CarbonylContact C-O 3.58Å; L119-D143 WeakPolarHBondContact CA-O 3.17Å; L119-D143 PolarHBondContact N-O 3.11Å; L119-L144 HydrophobicContact CB-CD2 3.92Å; L119-L144 HydrophobicContact CD1-CD2 4Å; L119-N147 PolarHBondContact O-ND2 3Å
120	S	98.7	Very high	94.5	Very high	7 Å²	7	50 Å²	50	5%	0.049	24%	0.235	C	C	.	.			trans	-66.3	153.9	-177.2	51.8	0	0	0	0	114.6	R96 R97 D143 N145	R96-S120 CarbonylContact C-O 3.38Å; R96-S120 WeakPolarHBondContact CA-O 3.24Å; R96-S120 WeakPolarHBondContact CD-OG 3.34Å; R96-S120 VanDerWaalsContact CG-OG 3.27Å; R96-S120 WeakPolarHBondContact CG-OG 3.12Å; R97-S120 PolarHBondContact N-O 3Å; S120-D143 WeakPolarHBondContact CB-OD1 3.24Å; S120-D143 VanDerWaalsContact CB-OD2 3.25Å; S120-D143 WeakPolarHBondContact CB-OD2 3.44Å; S120-D143 PolarHBondContact N-O 3.1Å; S120-D143 PolarHBondContact OG-OD2 3.31Å; S120-N145 CarbonylContact C-O 3.35Å; S120-N145 WeakPolarHBondContact CA-O 3.31Å; S120-N145 WeakPolarHBondContact CB-O 3.4Å
121	H	98.8	Very high	94.6	Very high	62 Å²	62	44.6 Å²	44.6	29%	0.287	21%	0.21	S	C	.	.	S	Bend	trans	57.5	48.2	-175.7	-61.3	-82.3	0	0	0	113.3	R97 N145 H146	R97-H121 VanDerWaalsContact CA-O 3.28Å; R97-H121 WeakPolarHBondContact CA-O 3.37Å; R97-H121 HydrophobicContact CB-CB 4.45Å; R97-H121 HydrophobicContact CG-CB 3.84Å; R97-H121 PolarHBondContact N-O 3.06Å; H121-N145 PolarHBondContact N-O 3.06Å; H121-H146 VanDerWaalsContact CA-O 3.26Å; H121-H146 WeakPolarHBondContact CA-O 3.43Å; H121-H146 HydrophobicContact CB-CB 4.44Å; H121-H146 AromaticContact CE1-CD2 3.12Å; H121-H146 PolarHBondContact CE1-CD2 2.98Å; H121-H146 AromaticContact CE1-CE1 4Å; H121-H146 AromaticContact CE1-CG 3.36Å; H121-H146 AromaticContact CE1-ND1 3.9Å; H121-H146 AromaticContact CE1-NE2 3.55Å; H121-H146 PolarHBondContact N-O 2.96Å; H121-H146 WeakPolarHBondContact ND1-CB 3.09Å; H121-H146 AromaticContact ND1-CD2 3.74Å; H121-H146 AromaticContact ND1-CG 3.54Å; H121-H146 AromaticContact NE2-CD2 3.43Å; H121-H146 PolarHBondContact NE2-CD2 2.91Å; H121-H146 AromaticContact NE2-NE2 3.97Å
122	N	98.7	Very high	94.5	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.011	21%	0.209	C	C	.	.	S	Bend	trans	-113.7	-160.8	172.8	-85.8	-70.3	0	0	0	110.3	F95 N98 I100 L119 I124 H146 N147	F95-N122 PolarHBondContact O-ND2 3.2Å; N98-N122 VanDerWaalsContact CA-OD1 3.26Å; N98-N122 WeakPolarHBondContact CA-OD1 3.43Å; N98-N122 WeakPolarHBondContact CB-OD1 3.27Å; N98-N122 PolarHBondContact N-OD1 2.66Å; N98-N122 PolarHBondContact O-OD1 2.78Å; I100-N122 HydrophobicContact CB-CB 4.16Å; I100-N122 WeakPolarHBondContact CB-OD1 3.31Å; I100-N122 WeakPolarHBondContact CG1-OD1 3.3Å; I100-N122 PolarHBondContact N-OD1 3.46Å; L119-N122 WeakPolarHBondContact O-CB 3.42Å; L119-N122 PolarHBondContact O-ND2 2.95Å; N122-I124 HydrophobicContact CB-CD1 4.33Å; N122-I124 HydrophobicContact CB-CG1 4.18Å; N122-H146 PolarHBondContact N-O 2.86Å; N122-N147 VanDerWaalsContact CA-OD1 3.31Å; N122-N147 WeakPolarHBondContact CA-OD1 3.35Å; N122-N147 WeakPolarHBondContact CB-OD1 3.44Å; N122-N147 PolarHBondContact N-OD1 2.83Å
123	K	98.4	Very high	94.2	Very high	102 Å²	102	42.9 Å²	42.9	44%	0.443	20%	0.202	S	C	.	.			trans	-123.1	24.4	-178.7	-58.2	-62.3	173.2	-160.8	0	111.9	I100 H101 K125 N147 L148	I100-K123 CarbonylContact O-C 3.42Å; I100-K123 VanDerWaalsContact O-CA 3.28Å; I100-K123 WeakPolarHBondContact O-CA 3.47Å; I100-K123 PolarHBondContact O-N 3.32Å; H101-K123 WeakPolarHBondContact CA-O 3.39Å; H101-K123 HydrophobicContact CB-CB 3.99Å; K123-K125 PolarHBondContact O-N 3.42Å; K123-N147 PolarHBondContact N-OD1 3.05Å; K123-L148 HydrophobicContact CB-CD1 4.28Å; K123-L148 HydrophobicContact CD-CD1 4.1Å
124	I	98.1	Very high	93.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.207	C	C	.	.			trans	-67.7	117.2	-174.8	-55.5	165.6	0	0	0	108.5	I100 I103 L119 N122 R126 L127 L144 N147 L148 L149	I100-I124 HydrophobicContact CG2-CG1 4.25Å; I100-I124 WeakPolarHBondContact O-CG1 3.46Å; I100-I124 PolarHBondContact O-N 3.44Å; I103-I124 HydrophobicContact CD1-CD1 3.71Å; I103-I124 HydrophobicContact CD1-CG1 4.35Å; I103-I124 HydrophobicContact CG1-CD1 4.48Å; L119-I124 HydrophobicContact CB-CD1 4.14Å; L119-I124 HydrophobicContact CD1-CD1 4.42Å; L119-I124 HydrophobicContact CD2-CD1 4.36Å; N122-I124 HydrophobicContact CB-CD1 4.33Å; N122-I124 HydrophobicContact CB-CG1 4.18Å; I124-R126 WeakPolarHBondContact CG2-O 3.49Å; I124-L127 HydrophobicContact CG2-CD2 4.04Å; I124-L144 HydrophobicContact CD1-CD2 4.07Å; I124-N147 HydrophobicContact CB-CB 4.25Å; I124-N147 WeakPolarHBondContact CB-OD1 3.18Å; I124-N147 WeakPolarHBondContact CG1-OD1 3.27Å; I124-N147 PolarHBondContact N-OD1 3.09Å; I124-N147 VanDerWaalsContact N-OD1 3.09Å; I124-L148 CarbonylContact O-C 3.08Å; I124-L148 VanDerWaalsContact O-CA 3.27Å; I124-L148 WeakPolarHBondContact O-CA 3.29Å; I124-L148 PolarHBondContact O-N 2.76Å; I124-L149 HydrophobicContact CG2-CD2 3.82Å; I124-L149 PolarHBondContact O-N 2.79Å
125	K	96.3	Very high	93.2	Very high	128 Å²	128	44.2 Å²	44.2	56%	0.557	21%	0.209	S	C	*	.			trans	-93.9	-30.3	-179.8	-68.4	-174.8	178.8	-176.1	0	113.8	K123 L148	K123-K125 PolarHBondContact O-N 3.42Å; K125-L148 WeakPolarHBondContact CA-O 3.36Å; K125-L148 HydrophobicContact CG-CB 3.87Å; K125-L148 HydrophobicContact CG-CD1 4.26Å
126	R	95	Very high	92.3	Very high	163 Å²	163	42.3 Å²	42.3	62%	0.615	20%	0.202	S	C	*	.			trans	-146.2	149.4	-178.8	65	-178.1	-174.1	-171.3	2.4	109.5	I124 E128	I124-R126 WeakPolarHBondContact CG2-O 3.49Å; R126-E128 HydrophobicContact CG-CG 4.24Å; R126-E128 IonicContact CZ-OE1 2.81Å; R126-E128 IonicContact NE-OE1 2.75Å; R126-E128 PolarHBondContact NE-OE1 3.36Å; R126-E128 IonicContact NH2-OE1 3.41Å; R126-E128 PolarHBondContact NH2-OE1 2.92Å
127	L	94.8	Very high	91.3	Very high	9 Å²	9	49.5 Å²	49.5	5%	0.047	23%	0.231	C	C	.	.			trans	-104.7	108.2	166.4	-63.9	167.6	0	0	0	105.6	I124 F132 L144 L149 P156 F157	I124-L127 HydrophobicContact CG2-CD2 4.04Å; L127-F132 HydrophobicContact CD1-CE2 4.12Å; L127-F132 HydrophobicContact CD2-CE2 4.13Å; L127-F132 HydrophobicContact CD2-CZ 4.15Å; L127-L144 HydrophobicContact CD1-CD1 3.92Å; L127-L144 HydrophobicContact CD2-CD2 4.5Å; L127-L149 HydrophobicContact CD1-CD1 4.2Å; L127-L149 HydrophobicContact CD1-CD2 4.27Å; L127-L149 HydrophobicContact CG-CD2 3.86Å; L127-P156 HydrophobicContact CB-CB 3.61Å; L127-P156 HydrophobicContact CB-CG 4.34Å; L127-P156 HydrophobicContact CD1-CB 4.03Å; L127-P156 HydrophobicContact CD1-CG 4.22Å; L127-P156 HydrophobicContact CG-CB 4.49Å; L127-F157 HydrophobicContact CD1-CE1 3.76Å; L127-F157 HydrophobicContact CD1-CZ 3.83Å
128	E	82.6	Confident	90.7	Very high	44 Å²	44	49.7 Å²	49.7	21%	0.206	23%	0.233	C	C	.	.			trans	-68.6	155.7	179.9	-64.2	179	-175.7	0	0	110.1	R126 G130 V131	R126-E128 HydrophobicContact CG-CG 4.24Å; R126-E128 IonicContact CZ-OE1 2.81Å; R126-E128 IonicContact NE-OE1 2.75Å; R126-E128 PolarHBondContact NE-OE1 3.36Å; R126-E128 IonicContact NH2-OE1 3.41Å; R126-E128 PolarHBondContact NH2-OE1 2.92Å; E128-G130 PolarHBondContact O-N 2.93Å; E128-V131 HydrophobicContact CB-CG2 4.11Å; E128-V131 WeakPolarHBondContact O-CG2 3.44Å; E128-V131 PolarHBondContact O-N 3.15Å
129	L	85.3	Confident	90.6	Very high	121 Å²	121	49.5 Å²	49.5	63%	0.634	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	133.1	173.8	-174.7	68.6	0	0	0	109.9	S105	S105-L129 PolarHBondContact OG-O 3.11Å
130	G	83.5	Confident	90.6	Very high	7 Å²	7	51.4 Å²	51.4	7%	0.072	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	13.3	178.5	0	0	0	0	0	116.5	G106 E128 F132 D133	G106-G130 PolarHBondContact N-O 3.35Å; E128-G130 PolarHBondContact O-N 2.93Å; G130-F132 PolarHBondContact O-N 3.41Å; G130-D133 WeakPolarHBondContact CA-OD1 3.4Å; G130-D133 WeakPolarHBondContact CA-OD2 3.16Å; G130-D133 PolarHBondContact O-N 3.17Å
131	V	91.8	Very high	90.5	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.018	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-35.3	170	165.8	0	0	0	0	111.9	I103 E128	I103-V131 HydrophobicContact CB-CG1 4.21Å; I103-V131 HydrophobicContact CG2-CG1 3.72Å; E128-V131 HydrophobicContact CB-CG2 4.11Å; E128-V131 WeakPolarHBondContact O-CG2 3.44Å; E128-V131 PolarHBondContact O-N 3.15Å
132	F	92.6	Very high	90.5	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	22.6	-178.3	-56.4	-58.2	0	0	0	113.5	F108 L117 L127 G130 M135 L142 P156 F157 L160	F108-F132 HydrophobicContact CD2-CD1 4.13Å; F108-F132 HydrophobicContact CD2-CE1 4.36Å; F108-F132 HydrophobicContact CE2-CD1 4.27Å; F108-F132 HydrophobicContact CE2-CE1 4.05Å; L117-F132 HydrophobicContact CD2-CD1 4.46Å; L117-F132 HydrophobicContact CD2-CE1 3.76Å; L127-F132 HydrophobicContact CD1-CE2 4.12Å; L127-F132 HydrophobicContact CD2-CE2 4.13Å; L127-F132 HydrophobicContact CD2-CZ 4.15Å; G130-F132 PolarHBondContact O-N 3.41Å; F132-M135 HydrophobicContact CB-SD 4.01Å; F132-M135 HydrophobicContact CD1-SD 3.67Å; F132-M135 HydrophobicContact CG-SD 4.31Å; F132-M135 WeakPolarHBondContact O-CB 3.44Å; F132-M135 PolarHBondContact O-N 3.36Å; F132-L142 HydrophobicContact CE1-CD1 4.47Å; F132-L142 HydrophobicContact CE1-CD2 4.44Å; F132-L142 HydrophobicContact CE2-CD2 4.05Å; F132-L142 HydrophobicContact CZ-CD1 4.3Å; F132-L142 HydrophobicContact CZ-CD2 3.9Å; F132-P156 WeakPolarHBondContact CD2-O 3.31Å; F132-F157 HydrophobicContact CD2-CD1 4.2Å; F132-F157 HydrophobicContact CE2-CD1 4.09Å; F132-F157 AromaticContact CE2-CE1 3.97Å; F132-F157 HydrophobicContact CE2-CE1 3.97Å; F132-L160 HydrophobicContact CB-CD1 4.28Å; F132-L160 HydrophobicContact CB-CD2 3.78Å; F132-L160 HydrophobicContact CB-CG 4.02Å; F132-L160 HydrophobicContact CD2-CD1 4.03Å; F132-L160 HydrophobicContact CG-CD1 4.15Å; F132-L160 HydrophobicContact CG-CD2 4.33Å; F132-L160 HydrophobicContact CG-CG 4.43Å
133	D	85	Confident	90.5	Very high	64 Å²	64	51.5 Å²	51.5	34%	0.342	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	149.9	175.3	-76.5	-8.4	0	0	0	111.2	G130 M135 S159	G130-D133 WeakPolarHBondContact CA-OD1 3.4Å; G130-D133 WeakPolarHBondContact CA-OD2 3.16Å; G130-D133 PolarHBondContact O-N 3.17Å; D133-M135 PolarHBondContact O-N 3.05Å; D133-S159 PolarHBondContact OD1-OG 3.36Å
134	N	82.6	Confident	90.5	Very high	94 Å²	94	46.7 Å²	46.7	50%	0.503	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	8.8	-179.4	-49.8	-64.3	0	0	0	115.3	D109 D136	D109-N134 PolarHBondContact OD1-ND2 3.09Å; N134-D136 WeakPolarHBondContact CA-OD2 3.44Å; N134-D136 PolarHBondContact O-N 2.91Å
135	M	85.3	Confident	90.6	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.049	23%	0.229	C	C	.	.			trans	-87.2	12.3	173.7	-59.1	-169.3	72.9	0	0	112.8	F108 L114 F132 D133 F137 G138 L139 L160	F108-M135 HydrophobicContact CB-CE 3.96Å; F108-M135 HydrophobicContact CB-CG 4.08Å; F108-M135 HydrophobicContact CB-SD 3.52Å; F108-M135 VanDerWaalsContact CB-SD 3.52Å; F108-M135 HydrophobicContact CD2-SD 3.79Å; F108-M135 HydrophobicContact CG-CE 4.27Å; F108-M135 HydrophobicContact CG-SD 3.92Å; L114-M135 HydrophobicContact CD2-CE 3.62Å; L114-M135 HydrophobicContact CG-CE 4.26Å; F132-M135 HydrophobicContact CB-SD 4.01Å; F132-M135 HydrophobicContact CD1-SD 3.67Å; F132-M135 HydrophobicContact CG-SD 4.31Å; F132-M135 WeakPolarHBondContact O-CB 3.44Å; F132-M135 PolarHBondContact O-N 3.36Å; D133-M135 PolarHBondContact O-N 3.05Å; M135-F137 PolarHBondContact O-N 3.37Å; M135-G138 PolarHBondContact O-N 2.68Å; M135-L139 HydrophobicContact CE-CB 4.05Å; M135-L139 HydrophobicContact CE-CD1 3.94Å; M135-L139 HydrophobicContact CE-CD2 3.86Å; M135-L139 HydrophobicContact CE-CG 4.16Å; M135-L160 HydrophobicContact CB-CD2 3.83Å
136	D	76.1	Confident	90.7	Very high	41 Å²	41	45.3 Å²	45.3	22%	0.219	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.9	-165.7	-48.8	-87.3	0	0	0	114.2	N134 S159 T161 E162	N134-D136 WeakPolarHBondContact CA-OD2 3.44Å; N134-D136 PolarHBondContact O-N 2.91Å; D136-S159 WeakPolarHBondContact CA-O 3.47Å; D136-S159 WeakPolarHBondContact OD1-CA 3.22Å; D136-S159 WeakPolarHBondContact OD1-CB 3.32Å; D136-T161 PolarHBondContact O-OG1 3.07Å; D136-E162 VanDerWaalsContact O-CG 3.32Å; D136-E162 WeakPolarHBondContact O-CG 3.42Å
137	F	77.5	Confident	90.9	Very high	177 Å²	177	37.7 Å²	37.7	78%	0.776	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-15.7	-170.9	-56.2	-75.2	0	0	0	114.5	M135	M135-F137 PolarHBondContact O-N 3.37Å
138	G	86.5	Confident	91	Very high	4 Å²	4	40.3 Å²	40.3	4%	0.041	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-49.3	-164	0	0	0	0	0	114.1	L114 H115 M135 T140	L114-G138 CarbonylContact O-C 3.48Å; L114-G138 WeakPolarHBondContact O-CA 3.3Å; H115-G138 WeakPolarHBondContact CA-O 3.43Å; H115-G138 PolarHBondContact ND1-O 3.36Å; M135-G138 PolarHBondContact O-N 2.68Å; G138-T140 PolarHBondContact O-N 3.07Å
139	L	96.3	Very high	91.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.194	C	C	.	.			trans	-77.9	116.1	-160.1	-165.5	71.7	0	0	0	111.5	L114 L117 M135 L142 L160 E162 L163	L114-L139 HydrophobicContact CG-CD1 4.2Å; L114-L139 VanDerWaalsContact O-CA 3.27Å; L114-L139 WeakPolarHBondContact O-CA 3.42Å; L114-L139 PolarHBondContact O-N 3.16Å; L114-L139 VanDerWaalsContact O-N 3.15Å; L117-L139 HydrophobicContact CB-CD1 3.73Å; M135-L139 HydrophobicContact CE-CB 4.05Å; M135-L139 HydrophobicContact CE-CD1 3.94Å; M135-L139 HydrophobicContact CE-CD2 3.86Å; M135-L139 HydrophobicContact CE-CG 4.16Å; L139-L142 HydrophobicContact CD2-CB 4.25Å; L139-L142 HydrophobicContact CD2-CD2 4.48Å; L139-L160 HydrophobicContact CB-CD2 4.21Å; L139-L160 HydrophobicContact CD2-CD1 4.18Å; L139-L160 HydrophobicContact CD2-CD2 3.78Å; L139-E162 CarbonylContact O-C 3.45Å; L139-L163 HydrophobicContact CD2-CD1 4.1Å; L139-L163 HydrophobicContact CG-CD1 4.01Å; L139-L163 WeakPolarHBondContact O-CA 3.27Å; L139-L163 PolarHBondContact O-N 3.06Å
140	T	97.7	Very high	92.2	Very high	39 Å²	39	37.7 Å²	37.7	24%	0.239	19%	0.188	C	C	.	.			trans	-108.3	-22.7	-179.4	59.6	0	0	0	0	112.9	H115 G138 K164 Y165	H115-T140 PolarHBondContact O-N 3.1Å; H115-T140 PolarHBondContact O-OG1 3.12Å; H115-T140 VanDerWaalsContact O-OG1 3.07Å; G138-T140 PolarHBondContact O-N 3.07Å; T140-K164 WeakPolarHBondContact O-CA 3.35Å; T140-K164 PolarHBondContact O-N 2.99Å; T140-Y165 PolarHBondContact O-N 2.66Å
141	F	98.5	Very high	92.8	Very high	58 Å²	58	40.3 Å²	40.3	25%	0.254	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	119.8	-175.5	-169	-73.7	0	0	0	111	H115 T116 L117 L118 D143 Y165 Y167	H115-F141 PolarHBondContact O-N 3.37Å; T116-F141 WeakPolarHBondContact CA-O 3.33Å; T116-F141 HydrophobicContact CG2-CB 4.19Å; T116-F141 HydrophobicContact CG2-CD1 3.87Å; T116-F141 HydrophobicContact CG2-CG 4.27Å; L117-F141 PolarHBondContact N-O 3Å; L118-F141 HydrophobicContact CD2-CD1 3.74Å; L118-F141 HydrophobicContact CD2-CE1 3.48Å; L118-F141 VanDerWaalsContact CD2-CE1 3.48Å; F141-D143 HydrophobicContact CE1-CB 3.94Å; F141-Y165 AromaticContact CD2-CD2 3.82Å; F141-Y165 HydrophobicContact CD2-CD2 3.82Å; F141-Y165 AromaticContact CD2-CG 3.86Å; F141-Y165 HydrophobicContact CD2-CG 3.86Å; F141-Y165 HydrophobicContact CE2-CG 4.29Å; F141-Y167 HydrophobicContact CD2-CE2 4.42Å; F141-Y167 HydrophobicContact CE1-CD2 4.19Å; F141-Y167 HydrophobicContact CE1-CE2 4.19Å; F141-Y167 HydrophobicContact CE2-CD2 4.35Å; F141-Y167 AromaticContact CE2-CE2 3.55Å; F141-Y167 HydrophobicContact CE2-CE2 3.55Å; F141-Y167 AromaticContact CZ-CD2 3.82Å; F141-Y167 HydrophobicContact CZ-CD2 3.82Å; F141-Y167 AromaticContact CZ-CE2 3.41Å; F141-Y167 HydrophobicContact CZ-CE2 3.41Å; F141-Y167 VanDerWaalsContact CZ-CE2 3.41Å
142	L	98.3	Very high	93	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	116.7	177.8	179.5	56.2	0	0	0	110.5	L117 F132 L139 L144 F157 L160 L163 Y165 L166 Y167	L117-L142 HydrophobicContact CB-CD1 4.08Å; L117-L142 HydrophobicContact CD2-CD1 3.96Å; L117-L142 HydrophobicContact CG-CD1 4.02Å; F132-L142 HydrophobicContact CE1-CD1 4.47Å; F132-L142 HydrophobicContact CE1-CD2 4.44Å; F132-L142 HydrophobicContact CE2-CD2 4.05Å; F132-L142 HydrophobicContact CZ-CD1 4.3Å; F132-L142 HydrophobicContact CZ-CD2 3.9Å; L139-L142 HydrophobicContact CD2-CB 4.25Å; L139-L142 HydrophobicContact CD2-CD2 4.48Å; L142-L144 HydrophobicContact CD1-CD1 4.33Å; L142-L144 HydrophobicContact CD1-CG 4.08Å; L142-L144 HydrophobicContact CD2-CD1 3.84Å; L142-L144 HydrophobicContact CD2-CG 4.47Å; L142-L144 HydrophobicContact CG-CD1 3.96Å; L142-L144 HydrophobicContact CG-CG 4.07Å; L142-F157 HydrophobicContact CD2-CD1 4.22Å; L142-F157 HydrophobicContact CD2-CE1 3.95Å; L142-L160 HydrophobicContact CD2-CD1 3.85Å; L142-L163 HydrophobicContact CB-CD1 3.8Å; L142-L163 HydrophobicContact CB-CD2 4.35Å; L142-Y165 PolarHBondContact N-O 2.83Å; L142-L166 HydrophobicContact CB-CD1 4.15Å; L142-L166 HydrophobicContact CD2-CD1 3.96Å; L142-L166 HydrophobicContact CG-CD1 4.02Å; L142-Y167 PolarHBondContact O-N 3.03Å; L142-Y167 VanDerWaalsContact O-N 3.09Å
143	D	98.8	Very high	92.9	Very high	16 Å²	16	43.7 Å²	43.7	9%	0.086	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	110.2	175.6	176.4	17	0	0	0	110.8	L117 L118 L119 S120 F141 N145	L117-D143 PolarHBondContact O-N 3.01Å; L118-D143 HydrophobicContact CD2-CB 3.66Å; L119-D143 CarbonylContact C-O 3.58Å; L119-D143 WeakPolarHBondContact CA-O 3.17Å; L119-D143 PolarHBondContact N-O 3.11Å; S120-D143 WeakPolarHBondContact CB-OD1 3.24Å; S120-D143 VanDerWaalsContact CB-OD2 3.25Å; S120-D143 WeakPolarHBondContact CB-OD2 3.44Å; S120-D143 PolarHBondContact N-O 3.1Å; S120-D143 PolarHBondContact OG-OD2 3.31Å; F141-D143 HydrophobicContact CE1-CB 3.94Å; D143-N145 VanDerWaalsContact OD1-CB 3.22Å; D143-N145 WeakPolarHBondContact OD1-CB 3.22Å; D143-N145 PolarHBondContact OD1-N 3.1Å; D143-N145 PolarHBondContact OD1-ND2 2.95Å
144	L	98.7	Very high	93.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.227	C	C	.	.			trans	-114.5	15.6	177.6	-74.1	164.4	0	0	0	111.9	L119 I124 L127 L142 N147 L149 F157 L166 Y167 L168 N171	L119-L144 HydrophobicContact CB-CD2 3.92Å; L119-L144 HydrophobicContact CD1-CD2 4Å; I124-L144 HydrophobicContact CD1-CD2 4.07Å; L127-L144 HydrophobicContact CD1-CD1 3.92Å; L127-L144 HydrophobicContact CD2-CD2 4.5Å; L142-L144 HydrophobicContact CD1-CD1 4.33Å; L142-L144 HydrophobicContact CD1-CG 4.08Å; L142-L144 HydrophobicContact CD2-CD1 3.84Å; L142-L144 HydrophobicContact CD2-CG 4.47Å; L142-L144 HydrophobicContact CG-CD1 3.96Å; L142-L144 HydrophobicContact CG-CG 4.07Å; L144-N147 PolarHBondContact O-ND2 3.19Å; L144-L149 HydrophobicContact CB-CD1 4.4Å; L144-L149 HydrophobicContact CD1-CD1 4.38Å; L144-F157 HydrophobicContact CD1-CE1 3.95Å; L144-F157 HydrophobicContact CD1-CZ 4.14Å; L144-L166 HydrophobicContact CD1-CD1 4.43Å; L144-Y167 CarbonylContact C-O 3.28Å; L144-Y167 WeakPolarHBondContact CA-O 3.38Å; L144-Y167 WeakPolarHBondContact CB-O 3.4Å; L144-Y167 PolarHBondContact N-O 2.93Å; L144-L168 HydrophobicContact CB-CD2 3.89Å; L144-L168 HydrophobicContact CD1-CD2 3.91Å; L144-N171 PolarHBondContact O-ND2 3.32Å
145	N	98.7	Very high	93.7	Very high	25 Å²	25	41.4 Å²	41.4	13%	0.134	21%	0.209	C	C	.	.			trans	-56.2	150.2	-178.4	-72	-18.1	0	0	0	112.7	S120 H121 D143 N147 Y167 L168 D169	S120-N145 CarbonylContact C-O 3.35Å; S120-N145 WeakPolarHBondContact CA-O 3.31Å; S120-N145 WeakPolarHBondContact CB-O 3.4Å; H121-N145 PolarHBondContact N-O 3.06Å; D143-N145 VanDerWaalsContact OD1-CB 3.22Å; D143-N145 WeakPolarHBondContact OD1-CB 3.22Å; D143-N145 PolarHBondContact OD1-N 3.1Å; D143-N145 PolarHBondContact OD1-ND2 2.95Å; N145-N147 VanDerWaalsContact C-N 3.34Å; N145-N147 PolarHBondContact O-N 2.91Å; N145-N147 PolarHBondContact O-ND2 3.03Å; N145-Y167 PolarHBondContact N-O 3.38Å; N145-Y167 VanDerWaalsContact OD1-CB 3.24Å; N145-Y167 WeakPolarHBondContact OD1-CB 3.29Å; N145-Y167 PolarHBondContact OD1-O 3.05Å; N145-L168 PolarHBondContact OD1-N 3.04Å; N145-D169 CarbonylContact C-O 3.56Å; N145-D169 VanDerWaalsContact CA-O 3.27Å; N145-D169 WeakPolarHBondContact CA-O 3.5Å; N145-D169 HydrophobicContact CB-CB 4.46Å; N145-D169 WeakPolarHBondContact OD1-CA 3.11Å; N145-D169 VanDerWaalsContact OD1-CB 3.27Å; N145-D169 WeakPolarHBondContact OD1-CB 3.22Å; N145-D169 PolarHBondContact OD1-N 3.15Å; N145-D169 PolarHBondContact OD1-OD2 2.81Å
146	H	98.8	Very high	94.2	Very high	74 Å²	74	41.5 Å²	41.5	34%	0.343	21%	0.21	S	C	.	.	S	Bend	trans	53	48.2	176.9	-62	-81.8	0	0	0	113.4	H121 N122 D169 E170	H121-H146 VanDerWaalsContact CA-O 3.26Å; H121-H146 WeakPolarHBondContact CA-O 3.43Å; H121-H146 HydrophobicContact CB-CB 4.44Å; H121-H146 AromaticContact CE1-CD2 3.12Å; H121-H146 PolarHBondContact CE1-CD2 2.98Å; H121-H146 AromaticContact CE1-CE1 4Å; H121-H146 AromaticContact CE1-CG 3.36Å; H121-H146 AromaticContact CE1-ND1 3.9Å; H121-H146 AromaticContact CE1-NE2 3.55Å; H121-H146 PolarHBondContact N-O 2.96Å; H121-H146 WeakPolarHBondContact ND1-CB 3.09Å; H121-H146 AromaticContact ND1-CD2 3.74Å; H121-H146 AromaticContact ND1-CG 3.54Å; H121-H146 AromaticContact NE2-CD2 3.43Å; H121-H146 PolarHBondContact NE2-CD2 2.91Å; H121-H146 AromaticContact NE2-NE2 3.97Å; N122-H146 PolarHBondContact N-O 2.86Å; H146-D169 PolarHBondContact N-O 2.97Å; H146-E170 HydrophobicContact CB-CB 4.47Å; H146-E170 WeakPolarHBondContact CE1-CG 3.38Å; H146-E170 IonicContact CE1-OE1 3.46Å; H146-E170 VanDerWaalsContact ND1-CB 3.29Å; H146-E170 WeakPolarHBondContact ND1-CB 3.38Å
147	N	98.7	Very high	95.1	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	20%	0.199	C	C	.	.	S	Bend	trans	-108.3	-162	168.4	-86.1	-72.4	0	0	0	109.9	L119 N122 K123 I124 L144 N145 L149 N171	L119-N147 PolarHBondContact O-ND2 3Å; N122-N147 VanDerWaalsContact CA-OD1 3.31Å; N122-N147 WeakPolarHBondContact CA-OD1 3.35Å; N122-N147 WeakPolarHBondContact CB-OD1 3.44Å; N122-N147 PolarHBondContact N-OD1 2.83Å; K123-N147 PolarHBondContact N-OD1 3.05Å; I124-N147 HydrophobicContact CB-CB 4.25Å; I124-N147 WeakPolarHBondContact CB-OD1 3.18Å; I124-N147 WeakPolarHBondContact CG1-OD1 3.27Å; I124-N147 PolarHBondContact N-OD1 3.09Å; I124-N147 VanDerWaalsContact N-OD1 3.09Å; L144-N147 PolarHBondContact O-ND2 3.19Å; N145-N147 VanDerWaalsContact C-N 3.34Å; N145-N147 PolarHBondContact O-N 2.91Å; N145-N147 PolarHBondContact O-ND2 3.03Å; N147-L149 HydrophobicContact CB-CG 4.41Å; N147-N171 VanDerWaalsContact CA-OD1 3.23Å; N147-N171 WeakPolarHBondContact CA-OD1 3.27Å; N147-N171 WeakPolarHBondContact CB-OD1 3.24Å; N147-N171 PolarHBondContact N-OD1 3.27Å; N147-N171 PolarHBondContact O-OD1 2.98Å
148	L	98.3	Very high	95.8	Very high	63 Å²	63	33.2 Å²	33.2	33%	0.33	18%	0.177	S	C	.	.			trans	-121.8	27.3	-178.2	-61.7	175.1	0	0	0	111.3	K123 I124 K125 E150 N171	K123-L148 HydrophobicContact CB-CD1 4.28Å; K123-L148 HydrophobicContact CD-CD1 4.1Å; I124-L148 CarbonylContact O-C 3.08Å; I124-L148 VanDerWaalsContact O-CA 3.27Å; I124-L148 WeakPolarHBondContact O-CA 3.29Å; I124-L148 PolarHBondContact O-N 2.76Å; K125-L148 WeakPolarHBondContact CA-O 3.36Å; K125-L148 HydrophobicContact CG-CB 3.87Å; K125-L148 HydrophobicContact CG-CD1 4.26Å; L148-E150 PolarHBondContact O-N 3.02Å; L148-N171 PolarHBondContact N-OD1 2.95Å
149	L	97.7	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.			trans	-63.9	120.9	-179	-60.1	172.6	0	0	0	110.7	I124 L127 L144 N147 L168 N171 P172 L173	I124-L149 HydrophobicContact CG2-CD2 3.82Å; I124-L149 PolarHBondContact O-N 2.79Å; L127-L149 HydrophobicContact CD1-CD1 4.2Å; L127-L149 HydrophobicContact CD1-CD2 4.27Å; L127-L149 HydrophobicContact CG-CD2 3.86Å; L144-L149 HydrophobicContact CB-CD1 4.4Å; L144-L149 HydrophobicContact CD1-CD1 4.38Å; N147-L149 HydrophobicContact CB-CG 4.41Å; L149-L168 HydrophobicContact CD1-CD2 3.75Å; L149-N171 HydrophobicContact CB-CB 4.05Å; L149-N171 WeakPolarHBondContact CB-OD1 3.23Å; L149-N171 WeakPolarHBondContact CG-OD1 3.09Å; L149-N171 PolarHBondContact N-OD1 3.32Å; L149-P172 CarbonylContact O-C 3.05Å; L149-P172 WeakPolarHBondContact O-CD 3.3Å; L149-P172 WeakPolarHBondContact O-CG 3.4Å; L149-L173 HydrophobicContact CB-CD2 4.05Å; L149-L173 WeakPolarHBondContact O-CD2 3.43Å; L149-L173 PolarHBondContact O-N 3Å
150	E	95.7	Very high	96	Very high	110 Å²	110	34 Å²	34	51%	0.514	18%	0.181	S	C	.	.			trans	-95.6	-31.2	-177	-65.6	178.7	-171.3	0	0	113	L148 P172	L148-E150 PolarHBondContact O-N 3.02Å; E150-P172 HydrophobicContact CG-CG 4.21Å
151	N	94.5	Very high	95.8	Very high	62 Å²	62	34.7 Å²	34.7	33%	0.332	19%	0.186	S	C	.	.			trans	-151.8	173.3	177.5	66.3	67.1	0	0	0	111.1	D153	N151-D153 PolarHBondContact OD1-N 3.27Å
152	L	95.9	Very high	95.7	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	19%	0.191	C	C	.	.			trans	-131.7	37.5	177.7	-61.1	172.8	0	0	0	110.1	D154 P156 F157 L168 L173 L176 S180 F181	L152-D154 VanDerWaalsContact C-N 3.34Å; L152-D154 PolarHBondContact O-N 2.81Å; L152-P156 HydrophobicContact CB-CG 4.43Å; L152-P156 HydrophobicContact CD2-CG 4.01Å; L152-F157 HydrophobicContact CD1-CE2 4.02Å; L152-F157 HydrophobicContact CD2-CE2 3.87Å; L152-F157 HydrophobicContact CD2-CZ 4.01Å; L152-F157 HydrophobicContact CG-CE2 4.49Å; L152-L168 HydrophobicContact CD1-CD1 4.06Å; L152-L173 HydrophobicContact CD1-CD1 4.36Å; L152-L173 HydrophobicContact CD1-CD2 4.45Å; L152-L173 HydrophobicContact CD2-CD2 4.42Å; L152-L173 HydrophobicContact CG-CD2 3.97Å; L152-L176 HydrophobicContact CD1-CD2 3.98Å; L152-S180 WeakPolarHBondContact O-CA 3.49Å; L152-F181 HydrophobicContact CD1-CE1 3.95Å; L152-F181 HydrophobicContact CD1-CZ 4.21Å
153	D	91.8	Very high	95.7	Very high	71 Å²	71	35.6 Å²	35.6	38%	0.38	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.3	-166	-64.4	-21.7	0	0	0	113.7	N151 A155 N177 V179	N151-D153 PolarHBondContact OD1-N 3.27Å; D153-A155 VanDerWaalsContact C-N 3.31Å; D153-A155 PolarHBondContact O-N 2.88Å; D153-N177 PolarHBondContact OD1-ND2 3.34Å; D153-V179 VanDerWaalsContact O-CG2 3.27Å; D153-V179 WeakPolarHBondContact O-CG2 3.34Å
154	D	90.9	Very high	95.6	Very high	97 Å²	97	38.8 Å²	38.8	52%	0.519	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	21.8	-176.8	-64.1	-39.3	0	0	0	113.4	L152	L152-D154 VanDerWaalsContact C-N 3.34Å; L152-D154 PolarHBondContact O-N 2.81Å
155	A	93.9	Very high	95.7	Very high	14 Å²	14	42.6 Å²	42.6	12%	0.116	22%	0.219	C	C	.	.			trans	47.6	50.8	-178.2	0	0	0	0	0	113.9	D153 F157 S158 V179 E182	D153-A155 VanDerWaalsContact C-N 3.31Å; D153-A155 PolarHBondContact O-N 2.88Å; A155-F157 PolarHBondContact O-N 2.98Å; A155-S158 WeakPolarHBondContact O-CB 3.26Å; A155-S158 PolarHBondContact O-N 2.93Å; A155-S158 VanDerWaalsContact O-N 3.09Å; A155-S158 PolarHBondContact O-OG 3.05Å; A155-V179 HydrophobicContact CB-CB 4.18Å; A155-E182 HydrophobicContact CB-CB 4.46Å
156	P	94.3	Very high	95.7	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.071	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.7	-167.6	26.4	-35.6	0	0	0	113.5	L127 F132 L152	L127-P156 HydrophobicContact CB-CB 3.61Å; L127-P156 HydrophobicContact CB-CG 4.34Å; L127-P156 HydrophobicContact CD1-CB 4.03Å; L127-P156 HydrophobicContact CD1-CG 4.22Å; L127-P156 HydrophobicContact CG-CB 4.49Å; F132-P156 WeakPolarHBondContact CD2-O 3.31Å; L152-P156 HydrophobicContact CB-CG 4.43Å; L152-P156 HydrophobicContact CD2-CG 4.01Å
157	F	95	Very high	95.7	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	7.9	-176.2	-47	-57.1	0	0	0	114.1	L127 F132 L142 L144 L152 A155 S159 L160 L166 L168 S180 F181 E182 L184	L127-F157 HydrophobicContact CD1-CE1 3.76Å; L127-F157 HydrophobicContact CD1-CZ 3.83Å; F132-F157 HydrophobicContact CD2-CD1 4.2Å; F132-F157 HydrophobicContact CE2-CD1 4.09Å; F132-F157 AromaticContact CE2-CE1 3.97Å; F132-F157 HydrophobicContact CE2-CE1 3.97Å; L142-F157 HydrophobicContact CD2-CD1 4.22Å; L142-F157 HydrophobicContact CD2-CE1 3.95Å; L144-F157 HydrophobicContact CD1-CE1 3.95Å; L144-F157 HydrophobicContact CD1-CZ 4.14Å; L152-F157 HydrophobicContact CD1-CE2 4.02Å; L152-F157 HydrophobicContact CD2-CE2 3.87Å; L152-F157 HydrophobicContact CD2-CZ 4.01Å; L152-F157 HydrophobicContact CG-CE2 4.49Å; A155-F157 PolarHBondContact O-N 2.98Å; F157-S159 PolarHBondContact O-N 3.15Å; F157-S159 VanDerWaalsContact O-N 3.14Å; F157-L160 HydrophobicContact CB-CD1 4.21Å; F157-L160 HydrophobicContact CD1-CD1 3.82Å; F157-L160 HydrophobicContact CG-CD1 4.47Å; F157-L160 WeakPolarHBondContact O-CB 3.03Å; F157-L160 PolarHBondContact O-N 3.38Å; F157-L166 HydrophobicContact CD2-CD2 4.12Å; F157-L166 HydrophobicContact CE1-CD1 4.34Å; F157-L166 HydrophobicContact CE2-CD2 3.95Å; F157-L166 HydrophobicContact CZ-CD1 4.32Å; F157-L166 HydrophobicContact CZ-CD2 4.2Å; F157-L168 HydrophobicContact CE2-CD1 4.42Å; F157-L168 HydrophobicContact CZ-CD2 4.26Å; F157-S180 WeakPolarHBondContact CD2-O 3.3Å; F157-F181 HydrophobicContact CD2-CD1 4.41Å; F157-E182 CarbonylContact C-O 3.38Å; F157-L184 HydrophobicContact CB-CD1 3.93Å; F157-L184 HydrophobicContact CB-CD2 3.87Å; F157-L184 HydrophobicContact CB-CG 3.92Å; F157-L184 HydrophobicContact CD2-CD1 4.18Å; F157-L184 HydrophobicContact CG-CD1 4.25Å
158	S	93.8	Very high	95.7	Very high	43 Å²	43	39.7 Å²	39.7	30%	0.301	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-33.1	-174	48.3	0	0	0	0	114.4	A155 E182 G183	A155-S158 WeakPolarHBondContact O-CB 3.26Å; A155-S158 PolarHBondContact O-N 2.93Å; A155-S158 VanDerWaalsContact O-N 3.09Å; A155-S158 PolarHBondContact O-OG 3.05Å; S158-E182 VanDerWaalsContact CA-O 3.3Å; S158-E182 WeakPolarHBondContact CA-O 3.31Å; S158-E182 PolarHBondContact N-O 3.23Å; S158-G183 WeakPolarHBondContact O-CA 3.38Å
159	S	91.8	Very high	95.7	Very high	20 Å²	20	37.9 Å²	37.9	14%	0.14	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.5	178.3	-48.6	0	0	0	0	113.5	D133 D136 F157 T161	D133-S159 PolarHBondContact OD1-OG 3.36Å; D136-S159 WeakPolarHBondContact CA-O 3.47Å; D136-S159 WeakPolarHBondContact OD1-CA 3.22Å; D136-S159 WeakPolarHBondContact OD1-CB 3.32Å; F157-S159 PolarHBondContact O-N 3.15Å; F157-S159 VanDerWaalsContact O-N 3.14Å; S159-T161 VanDerWaalsContact C-N 3.26Å; S159-T161 PolarHBondContact O-N 3.42Å
160	L	94.7	Very high	95.7	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.213	C	C	.	.			trans	-85.5	56.5	-173.3	-64.7	-175.7	0	0	0	113.2	F132 M135 L139 L142 F157 E162 L163 L184	F132-L160 HydrophobicContact CB-CD1 4.28Å; F132-L160 HydrophobicContact CB-CD2 3.78Å; F132-L160 HydrophobicContact CB-CG 4.02Å; F132-L160 HydrophobicContact CD2-CD1 4.03Å; F132-L160 HydrophobicContact CG-CD1 4.15Å; F132-L160 HydrophobicContact CG-CD2 4.33Å; F132-L160 HydrophobicContact CG-CG 4.43Å; M135-L160 HydrophobicContact CB-CD2 3.83Å; L139-L160 HydrophobicContact CB-CD2 4.21Å; L139-L160 HydrophobicContact CD2-CD1 4.18Å; L139-L160 HydrophobicContact CD2-CD2 3.78Å; L142-L160 HydrophobicContact CD2-CD1 3.85Å; F157-L160 HydrophobicContact CB-CD1 4.21Å; F157-L160 HydrophobicContact CD1-CD1 3.82Å; F157-L160 HydrophobicContact CG-CD1 4.47Å; F157-L160 WeakPolarHBondContact O-CB 3.03Å; F157-L160 PolarHBondContact O-N 3.38Å; L160-E162 VanDerWaalsContact C-N 3.31Å; L160-E162 PolarHBondContact O-N 2.84Å; L160-L163 HydrophobicContact CB-CB 4.02Å; L160-L163 HydrophobicContact CB-CD2 4.35Å; L160-L163 HydrophobicContact CD1-CD2 4Å; L160-L163 VanDerWaalsContact O-CB 3.3Å; L160-L163 WeakPolarHBondContact O-CB 2.98Å; L160-L163 PolarHBondContact O-N 2.93Å; L160-L184 HydrophobicContact CB-CD2 3.86Å; L160-L184 WeakPolarHBondContact O-CD2 3.44Å
161	T	93.9	Very high	95.9	Very high	54 Å²	54	36.8 Å²	36.8	33%	0.331	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-26.6	-168.8	69.5	0	0	0	0	114.7	D136 S159 N186	D136-T161 PolarHBondContact O-OG1 3.07Å; S159-T161 VanDerWaalsContact C-N 3.26Å; S159-T161 PolarHBondContact O-N 3.42Å; T161-N186 WeakPolarHBondContact O-CB 3.02Å; T161-N186 PolarHBondContact O-ND2 2.88Å
162	E	95.5	Very high	96	Very high	78 Å²	78	35.3 Å²	35.3	36%	0.364	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	4.4	178.8	-67.4	-60.5	132.6	0	0	113.9	D136 L139 L160 K164 N186	D136-E162 VanDerWaalsContact O-CG 3.32Å; D136-E162 WeakPolarHBondContact O-CG 3.42Å; L139-E162 CarbonylContact O-C 3.45Å; L160-E162 VanDerWaalsContact C-N 3.31Å; L160-E162 PolarHBondContact O-N 2.84Å; E162-K164 PolarHBondContact O-N 3.49Å; E162-N186 PolarHBondContact OE1-ND2 2.79Å
163	L	97.5	Very high	96.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.			trans	-66.4	130	-177.4	-165.3	74	0	0	0	111.2	L139 L142 L160 L166 L184 N186 L187	L139-L163 HydrophobicContact CD2-CD1 4.1Å; L139-L163 HydrophobicContact CG-CD1 4.01Å; L139-L163 WeakPolarHBondContact O-CA 3.27Å; L139-L163 PolarHBondContact O-N 3.06Å; L142-L163 HydrophobicContact CB-CD1 3.8Å; L142-L163 HydrophobicContact CB-CD2 4.35Å; L160-L163 HydrophobicContact CB-CB 4.02Å; L160-L163 HydrophobicContact CB-CD2 4.35Å; L160-L163 HydrophobicContact CD1-CD2 4Å; L160-L163 VanDerWaalsContact O-CB 3.3Å; L160-L163 WeakPolarHBondContact O-CB 2.98Å; L160-L163 PolarHBondContact O-N 2.93Å; L163-L166 HydrophobicContact CD2-CB 4.01Å; L163-L166 HydrophobicContact CD2-CD1 4.39Å; L163-L166 HydrophobicContact CD2-CD2 4.44Å; L163-L184 HydrophobicContact CB-CD2 4Å; L163-L184 HydrophobicContact CD2-CD2 3.78Å; L163-N186 CarbonylContact O-C 3.57Å; L163-N186 VanDerWaalsContact O-C 3.28Å; L163-L187 HydrophobicContact CB-CD1 4.37Å; L163-L187 HydrophobicContact CD2-CD1 3.99Å; L163-L187 HydrophobicContact CG-CD1 3.99Å; L163-L187 WeakPolarHBondContact O-CA 3.04Å; L163-L187 PolarHBondContact O-N 3.2Å
164	K	98.3	Very high	96.3	Very high	82 Å²	82	35.3 Å²	35.3	36%	0.357	19%	0.186	S	C	.	.			trans	-109.1	-35.2	-179.3	-66.5	-177.1	179.2	179.9	0	112.9	T140 E162 I188 E189	T140-K164 WeakPolarHBondContact O-CA 3.35Å; T140-K164 PolarHBondContact O-N 2.99Å; E162-K164 PolarHBondContact O-N 3.49Å; K164-I188 HydrophobicContact CB-CD1 4.12Å; K164-I188 HydrophobicContact CB-CG1 4.27Å; K164-I188 HydrophobicContact CD-CD1 3.94Å; K164-I188 HydrophobicContact CG-CD1 4.04Å; K164-I188 HydrophobicContact CG-CG1 4.38Å; K164-I188 PolarHBondContact O-N 2.96Å; K164-E189 PolarHBondContact O-N 2.66Å
165	Y	98.8	Very high	96.7	Very high	81 Å²	81	32.2 Å²	32.2	32%	0.318	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.3	-175.8	-53	-84.9	0	0	0	110.2	T140 F141 L142 E189	T140-Y165 PolarHBondContact O-N 2.66Å; F141-Y165 AromaticContact CD2-CD2 3.82Å; F141-Y165 HydrophobicContact CD2-CD2 3.82Å; F141-Y165 AromaticContact CD2-CG 3.86Å; F141-Y165 HydrophobicContact CD2-CG 3.86Å; F141-Y165 HydrophobicContact CE2-CG 4.29Å; L142-Y165 PolarHBondContact N-O 2.83Å; Y165-E189 HydrophobicContact CD1-CB 3.78Å; Y165-E189 HydrophobicContact CE1-CB 4.27Å
166	L	98.8	Very high	96.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	119	176.4	178.2	57.6	0	0	0	110.4	L142 L144 F157 L163 L168 F181 L184 L187 E189 L190 S191	L142-L166 HydrophobicContact CB-CD1 4.15Å; L142-L166 HydrophobicContact CD2-CD1 3.96Å; L142-L166 HydrophobicContact CG-CD1 4.02Å; L144-L166 HydrophobicContact CD1-CD1 4.43Å; F157-L166 HydrophobicContact CD2-CD2 4.12Å; F157-L166 HydrophobicContact CE1-CD1 4.34Å; F157-L166 HydrophobicContact CE2-CD2 3.95Å; F157-L166 HydrophobicContact CZ-CD1 4.32Å; F157-L166 HydrophobicContact CZ-CD2 4.2Å; L163-L166 HydrophobicContact CD2-CB 4.01Å; L163-L166 HydrophobicContact CD2-CD1 4.39Å; L163-L166 HydrophobicContact CD2-CD2 4.44Å; L166-L168 HydrophobicContact CD1-CD1 4.47Å; L166-L168 HydrophobicContact CD1-CD2 4.5Å; L166-L168 HydrophobicContact CD1-CG 4.17Å; L166-L168 HydrophobicContact CD2-CD1 4.02Å; L166-L168 HydrophobicContact CG-CD1 4.09Å; L166-L168 HydrophobicContact CG-CG 4.15Å; L166-F181 HydrophobicContact CD2-CD1 4.33Å; L166-F181 HydrophobicContact CD2-CE1 4.43Å; L166-L184 HydrophobicContact CD2-CD1 3.67Å; L166-L187 HydrophobicContact CB-CD1 3.82Å; L166-L187 HydrophobicContact CB-CD2 4.28Å; L166-E189 PolarHBondContact N-O 3.33Å; L166-L190 HydrophobicContact CB-CD1 4.16Å; L166-L190 HydrophobicContact CD2-CD1 3.98Å; L166-L190 HydrophobicContact CG-CD1 4.01Å; L166-S191 PolarHBondContact O-N 3.22Å; L166-S191 VanDerWaalsContact O-N 3.1Å
167	Y	98.9	Very high	97	Very high	41 Å²	41	33 Å²	33	16%	0.161	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.8	178.5	-58.7	-76.2	0	0	0	110.7	F141 L142 L144 N145 E189	F141-Y167 HydrophobicContact CD2-CE2 4.42Å; F141-Y167 HydrophobicContact CE1-CD2 4.19Å; F141-Y167 HydrophobicContact CE1-CE2 4.19Å; F141-Y167 HydrophobicContact CE2-CD2 4.35Å; F141-Y167 AromaticContact CE2-CE2 3.55Å; F141-Y167 HydrophobicContact CE2-CE2 3.55Å; F141-Y167 AromaticContact CZ-CD2 3.82Å; F141-Y167 HydrophobicContact CZ-CD2 3.82Å; F141-Y167 AromaticContact CZ-CE2 3.41Å; F141-Y167 HydrophobicContact CZ-CE2 3.41Å; F141-Y167 VanDerWaalsContact CZ-CE2 3.41Å; L142-Y167 PolarHBondContact O-N 3.03Å; L142-Y167 VanDerWaalsContact O-N 3.09Å; L144-Y167 CarbonylContact C-O 3.28Å; L144-Y167 WeakPolarHBondContact CA-O 3.38Å; L144-Y167 WeakPolarHBondContact CB-O 3.4Å; L144-Y167 PolarHBondContact N-O 2.93Å; N145-Y167 PolarHBondContact N-O 3.38Å; N145-Y167 VanDerWaalsContact OD1-CB 3.24Å; N145-Y167 WeakPolarHBondContact OD1-CB 3.29Å; N145-Y167 PolarHBondContact OD1-O 3.05Å; Y167-E189 HydrophobicContact CE1-CG 4.35Å; Y167-E189 WeakPolarHBondContact CE1-OE1 3.46Å; Y167-E189 VanDerWaalsContact CZ-OE1 3.32Å; Y167-E189 VanDerWaalsContact OH-CD 3.31Å; Y167-E189 PolarHBondContact OH-OE1 3.39Å
168	L	98.8	Very high	97	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.197	C	C	.	.			trans	-126.6	16.3	-176.5	-70.9	165.3	0	0	0	112.3	L144 N145 L149 L152 F157 L166 N171 L173 F181 L190 S191 I192	L144-L168 HydrophobicContact CB-CD2 3.89Å; L144-L168 HydrophobicContact CD1-CD2 3.91Å; N145-L168 PolarHBondContact OD1-N 3.04Å; L149-L168 HydrophobicContact CD1-CD2 3.75Å; L152-L168 HydrophobicContact CD1-CD1 4.06Å; F157-L168 HydrophobicContact CE2-CD1 4.42Å; F157-L168 HydrophobicContact CZ-CD2 4.26Å; L166-L168 HydrophobicContact CD1-CD1 4.47Å; L166-L168 HydrophobicContact CD1-CD2 4.5Å; L166-L168 HydrophobicContact CD1-CG 4.17Å; L166-L168 HydrophobicContact CD2-CD1 4.02Å; L166-L168 HydrophobicContact CG-CD1 4.09Å; L166-L168 HydrophobicContact CG-CG 4.15Å; L168-N171 WeakPolarHBondContact O-CB 3.38Å; L168-N171 PolarHBondContact O-ND2 3.5Å; L168-L173 HydrophobicContact CB-CD1 4.26Å; L168-L173 HydrophobicContact CD1-CD1 4.47Å; L168-F181 HydrophobicContact CD1-CE1 4.05Å; L168-L190 HydrophobicContact CD1-CD1 4.37Å; L168-S191 PolarHBondContact N-O 3.47Å; L168-I192 HydrophobicContact CB-CG1 4.25Å; L168-I192 HydrophobicContact CD1-CG1 4.34Å
169	D	98.8	Very high	97.1	Very high	25 Å²	25	37 Å²	37	13%	0.134	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	147.8	-177.5	-52.7	-33.6	0	0	0	111.3	N145 H146 N171 S191 I192 E193	N145-D169 CarbonylContact C-O 3.56Å; N145-D169 VanDerWaalsContact CA-O 3.27Å; N145-D169 WeakPolarHBondContact CA-O 3.5Å; N145-D169 HydrophobicContact CB-CB 4.46Å; N145-D169 WeakPolarHBondContact OD1-CA 3.11Å; N145-D169 VanDerWaalsContact OD1-CB 3.27Å; N145-D169 WeakPolarHBondContact OD1-CB 3.22Å; N145-D169 PolarHBondContact OD1-N 3.15Å; N145-D169 PolarHBondContact OD1-OD2 2.81Å; H146-D169 PolarHBondContact N-O 2.97Å; D169-N171 PolarHBondContact O-N 3.41Å; D169-N171 PolarHBondContact O-ND2 3.21Å; D169-S191 VanDerWaalsContact OD1-C 3.22Å; D169-S191 VanDerWaalsContact OD1-CB 3.27Å; D169-S191 WeakPolarHBondContact OD1-CB 3.28Å; D169-S191 PolarHBondContact OD1-OG 2.88Å; D169-S191 PolarHBondContact OD2-OG 2.97Å; D169-I192 PolarHBondContact OD1-N 3.47Å; D169-E193 CarbonylContact C-O 3.47Å; D169-E193 WeakPolarHBondContact CA-O 3.29Å; D169-E193 HydrophobicContact CB-CB 4.26Å; D169-E193 PolarHBondContact OD1-N 3.27Å
170	E	98.7	Very high	97.3	Very high	86 Å²	86	36 Å²	36	40%	0.402	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	33.5	173.8	-62.6	-94.7	-152.5	0	0	113.1	H146 E193 N194	H146-E170 HydrophobicContact CB-CB 4.47Å; H146-E170 WeakPolarHBondContact CE1-CG 3.38Å; H146-E170 IonicContact CE1-OE1 3.46Å; H146-E170 VanDerWaalsContact ND1-CB 3.29Å; H146-E170 WeakPolarHBondContact ND1-CB 3.38Å; E170-E193 PolarHBondContact N-O 3.46Å; E170-N194 HydrophobicContact CG-CB 4.05Å
171	N	98.6	Very high	97.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.185	C	C	.	.	S	Bend	trans	-106.4	141.2	165.7	-78.6	-81.6	0	0	0	110.1	L144 N147 L148 L149 L168 D169 L173 A195	L144-N171 PolarHBondContact O-ND2 3.32Å; N147-N171 VanDerWaalsContact CA-OD1 3.23Å; N147-N171 WeakPolarHBondContact CA-OD1 3.27Å; N147-N171 WeakPolarHBondContact CB-OD1 3.24Å; N147-N171 PolarHBondContact N-OD1 3.27Å; N147-N171 PolarHBondContact O-OD1 2.98Å; L148-N171 PolarHBondContact N-OD1 2.95Å; L149-N171 HydrophobicContact CB-CB 4.05Å; L149-N171 WeakPolarHBondContact CB-OD1 3.23Å; L149-N171 WeakPolarHBondContact CG-OD1 3.09Å; L149-N171 PolarHBondContact N-OD1 3.32Å; L168-N171 WeakPolarHBondContact O-CB 3.38Å; L168-N171 PolarHBondContact O-ND2 3.5Å; D169-N171 PolarHBondContact O-N 3.41Å; D169-N171 PolarHBondContact O-ND2 3.21Å; N171-L173 HydrophobicContact CB-CD1 4.29Å; N171-L173 HydrophobicContact CB-CG 4.05Å; N171-L173 PolarHBondContact O-N 2.78Å; N171-A195 CarbonylContact O-C 3.46Å; N171-A195 WeakPolarHBondContact O-CA 3.38Å; N171-A195 WeakPolarHBondContact O-CB 3.47Å; N171-A195 VanDerWaalsContact O-O 3.11Å
172	P	97.8	Very high	97.5	Very high	32 Å²	32	37.7 Å²	37.7	21%	0.208	19%	0.189	C	C	.	.			trans	-73.6	46.4	-179	33.5	-37.9	0	0	0	114.7	L149 E150 T174 A195	L149-P172 CarbonylContact O-C 3.05Å; L149-P172 WeakPolarHBondContact O-CD 3.3Å; L149-P172 WeakPolarHBondContact O-CG 3.4Å; E150-P172 HydrophobicContact CG-CG 4.21Å; P172-T174 PolarHBondContact O-N 3.17Å; P172-A195 CarbonylContact C-O 3.12Å; P172-A195 VanDerWaalsContact C-O 3.32Å; P172-A195 WeakPolarHBondContact CA-O 3.42Å
173	L	97.5	Very high	97.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.			trans	-71.7	112.3	178.4	-62.6	168.9	0	0	0	111	L149 L152 L168 N171 I192 A195 R196 L197	L149-L173 HydrophobicContact CB-CD2 4.05Å; L149-L173 WeakPolarHBondContact O-CD2 3.43Å; L149-L173 PolarHBondContact O-N 3Å; L152-L173 HydrophobicContact CD1-CD1 4.36Å; L152-L173 HydrophobicContact CD1-CD2 4.45Å; L152-L173 HydrophobicContact CD2-CD2 4.42Å; L152-L173 HydrophobicContact CG-CD2 3.97Å; L168-L173 HydrophobicContact CB-CD1 4.26Å; L168-L173 HydrophobicContact CD1-CD1 4.47Å; N171-L173 HydrophobicContact CB-CD1 4.29Å; N171-L173 HydrophobicContact CB-CG 4.05Å; N171-L173 PolarHBondContact O-N 2.78Å; L173-I192 HydrophobicContact CD1-CG2 3.97Å; L173-A195 CarbonylContact C-O 3.08Å; L173-A195 HydrophobicContact CB-CB 4.13Å; L173-A195 PolarHBondContact N-O 3.44Å; L173-R196 CarbonylContact O-C 3.6Å; L173-L197 WeakPolarHBondContact O-CA 3.49Å; L173-L197 PolarHBondContact O-N 2.81Å; L173-L197 VanDerWaalsContact O-N 3.16Å
174	T	96.8	Very high	97.3	Very high	75 Å²	75	35.3 Å²	35.3	46%	0.46	19%	0.185	S	C	.	.			trans	-89.3	-30	-176.8	55.4	0	0	0	0	113.7	P172 S198 E199	P172-T174 PolarHBondContact O-N 3.17Å; T174-S198 PolarHBondContact O-N 3.04Å; T174-S198 PolarHBondContact O-OG 3.05Å; T174-E199 PolarHBondContact O-N 3.26Å
175	S	97.7	Very high	97.2	Very high	32 Å²	32	32.5 Å²	32.5	22%	0.224	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	159.4	-177.7	67.2	0	0	0	0	113.1	E199	S175-E199 CarbonylContact C-O 3.45Å; S175-E199 WeakPolarHBondContact CA-O 3.27Å
176	L	98	Very high	97.1	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.5	172.3	-62.9	170.2	0	0	0	110.2	L152 F181 I192 L197 E199 I200 S201 A204 F205	L152-L176 HydrophobicContact CD1-CD2 3.98Å; L176-F181 HydrophobicContact CD1-CE2 3.87Å; L176-F181 HydrophobicContact CD1-CZ 3.99Å; L176-F181 HydrophobicContact CD2-CE2 3.95Å; L176-F181 HydrophobicContact CD2-CZ 3.66Å; L176-F181 HydrophobicContact CG-CE2 4.34Å; L176-F181 HydrophobicContact CG-CZ 4.41Å; L176-I192 HydrophobicContact CD1-CD1 3.78Å; L176-L197 HydrophobicContact CB-CD1 4.49Å; L176-L197 HydrophobicContact CD1-CD1 4.05Å; L176-L197 HydrophobicContact CD1-CD2 3.52Å; L176-L197 HydrophobicContact CD1-CG 4.43Å; L176-L197 HydrophobicContact CG-CD1 3.72Å; L176-L197 HydrophobicContact CG-CD2 4.16Å; L176-E199 PolarHBondContact N-O 3.41Å; L176-I200 HydrophobicContact CD1-CG1 4.34Å; L176-S201 WeakPolarHBondContact O-CB 3.27Å; L176-S201 PolarHBondContact O-N 3.34Å; L176-A204 HydrophobicContact CB-CB 4.13Å; L176-F205 HydrophobicContact CD1-CE1 4.22Å; L176-F205 HydrophobicContact CD1-CZ 4.27Å
177	N	96.6	Very high	97.1	Very high	38 Å²	38	31.8 Å²	31.8	20%	0.203	18%	0.181	C	C	.	.			trans	-116.1	-177.9	179.7	65.7	30.2	0	0	0	111	D153 V179 S180 S201 A204	D153-N177 PolarHBondContact OD1-ND2 3.34Å; N177-V179 PolarHBondContact O-N 3.18Å; N177-V179 WeakPolarHBondContact OD1-CG2 3.44Å; N177-V179 PolarHBondContact OD1-N 3.25Å; N177-S180 PolarHBondContact N-OG 3.34Å; N177-S180 PolarHBondContact O-N 3.37Å; N177-S180 PolarHBondContact O-OG 2.96Å; N177-S180 PolarHBondContact OD1-N 3.08Å; N177-S180 PolarHBondContact OD1-OG 3.06Å; N177-S201 WeakPolarHBondContact CA-OG 3.14Å; N177-A204 VanDerWaalsContact O-CA 3.29Å; N177-A204 WeakPolarHBondContact O-CA 3.03Å
178	N	95.4	Very high	97.1	Very high	95 Å²	95	31.8 Å²	31.8	51%	0.508	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.8	-177.4	61.2	-72.3	0	0	0	114.8	S201 N203	N178-S201 PolarHBondContact N-OG 3.25Å; N178-N203 HydrophobicContact CB-CB 4.19Å
179	V	95.6	Very high	97.1	Very high	32 Å²	32	34 Å²	34	19%	0.194	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-14.2	178.9	-58.1	0	0	0	0	112.7	D153 A155 N177 F181 E182	D153-V179 VanDerWaalsContact O-CG2 3.27Å; D153-V179 WeakPolarHBondContact O-CG2 3.34Å; A155-V179 HydrophobicContact CB-CB 4.18Å; N177-V179 PolarHBondContact O-N 3.18Å; N177-V179 WeakPolarHBondContact OD1-CG2 3.44Å; N177-V179 PolarHBondContact OD1-N 3.25Å; V179-F181 PolarHBondContact O-N 3.22Å; V179-E182 WeakPolarHBondContact O-CB 3.07Å; V179-E182 PolarHBondContact O-N 3.22Å; V179-E182 VanDerWaalsContact O-N 3.09Å
180	S	96.6	Very high	97.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-32	-175.8	-58.4	0	0	0	0	114.5	L152 F157 N177	L152-S180 WeakPolarHBondContact O-CA 3.49Å; F157-S180 WeakPolarHBondContact CD2-O 3.3Å; N177-S180 PolarHBondContact N-OG 3.34Å; N177-S180 PolarHBondContact O-N 3.37Å; N177-S180 PolarHBondContact O-OG 2.96Å; N177-S180 PolarHBondContact OD1-N 3.08Å; N177-S180 PolarHBondContact OD1-OG 3.06Å
181	F	97	Very high	97.1	Very high	1 Å²	1	29 Å²	29	0%	0.004	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	27.9	177.8	-50.9	-63.9	0	0	0	112.4	L152 F157 L166 L168 L176 V179 L184 L190 I192 F205 S207 L208	L152-F181 HydrophobicContact CD1-CE1 3.95Å; L152-F181 HydrophobicContact CD1-CZ 4.21Å; F157-F181 HydrophobicContact CD2-CD1 4.41Å; L166-F181 HydrophobicContact CD2-CD1 4.33Å; L166-F181 HydrophobicContact CD2-CE1 4.43Å; L168-F181 HydrophobicContact CD1-CE1 4.05Å; L176-F181 HydrophobicContact CD1-CE2 3.87Å; L176-F181 HydrophobicContact CD1-CZ 3.99Å; L176-F181 HydrophobicContact CD2-CE2 3.95Å; L176-F181 HydrophobicContact CD2-CZ 3.66Å; L176-F181 HydrophobicContact CG-CE2 4.34Å; L176-F181 HydrophobicContact CG-CZ 4.41Å; V179-F181 PolarHBondContact O-N 3.22Å; F181-L184 HydrophobicContact CB-CD1 4.06Å; F181-L184 HydrophobicContact CD1-CD1 4.06Å; F181-L184 PolarHBondContact O-N 2.85Å; F181-L190 HydrophobicContact CD1-CD2 4.3Å; F181-L190 HydrophobicContact CD2-CD2 4.37Å; F181-L190 HydrophobicContact CE1-CD1 4.07Å; F181-L190 HydrophobicContact CE1-CD2 4Å; F181-L190 HydrophobicContact CE2-CD2 4.08Å; F181-L190 HydrophobicContact CG-CD2 4.49Å; F181-L190 HydrophobicContact CZ-CD2 3.91Å; F181-I192 HydrophobicContact CE1-CD1 4.25Å; F181-I192 HydrophobicContact CE2-CD1 4.37Å; F181-I192 HydrophobicContact CZ-CD1 3.52Å; F181-F205 HydrophobicContact CD2-CD1 4Å; F181-F205 HydrophobicContact CD2-CE1 4.22Å; F181-F205 AromaticContact CE2-CD1 3.99Å; F181-F205 HydrophobicContact CE2-CD1 3.99Å; F181-F205 AromaticContact CE2-CE1 3.73Å; F181-F205 HydrophobicContact CE2-CE1 3.73Å; F181-S207 VanDerWaalsContact O-CB 3.31Å; F181-S207 WeakPolarHBondContact O-CB 3.25Å; F181-L208 HydrophobicContact CB-CD1 4.43Å; F181-L208 HydrophobicContact CB-CD2 3.83Å; F181-L208 HydrophobicContact CB-CG 4.21Å; F181-L208 HydrophobicContact CD2-CD1 4.22Å; F181-L208 HydrophobicContact CG-CD1 4.36Å; F181-L208 HydrophobicContact CG-CD2 4.45Å
182	E	95.2	Very high	97.1	Very high	90 Å²	90	29 Å²	29	42%	0.421	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	144.3	171.6	-170.2	163.7	-176.6	0	0	110.4	A155 F157 S158 V179 L184	A155-E182 HydrophobicContact CB-CB 4.46Å; F157-E182 CarbonylContact C-O 3.38Å; S158-E182 VanDerWaalsContact CA-O 3.3Å; S158-E182 WeakPolarHBondContact CA-O 3.31Å; S158-E182 PolarHBondContact N-O 3.23Å; V179-E182 WeakPolarHBondContact O-CB 3.07Å; V179-E182 PolarHBondContact O-N 3.22Å; V179-E182 VanDerWaalsContact O-N 3.09Å; E182-L184 VanDerWaalsContact C-N 3.28Å; E182-L184 PolarHBondContact O-N 2.79Å
183	G	93.3	Very high	97.1	Very high	27 Å²	27	29.1 Å²	29.1	28%	0.278	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	-22.3	-177.6	0	0	0	0	0	116.2	S158 G185	S158-G183 WeakPolarHBondContact O-CA 3.38Å; G183-G185 PolarHBondContact O-N 2.92Å
184	L	96.4	Very high	97.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.181	C	C	.	.			trans	-80.6	49.3	-171.2	-61.8	-171.7	0	0	0	114.8	F157 L160 L163 L166 F181 E182 N186 L187 L208	F157-L184 HydrophobicContact CB-CD1 3.93Å; F157-L184 HydrophobicContact CB-CD2 3.87Å; F157-L184 HydrophobicContact CB-CG 3.92Å; F157-L184 HydrophobicContact CD2-CD1 4.18Å; F157-L184 HydrophobicContact CG-CD1 4.25Å; L160-L184 HydrophobicContact CB-CD2 3.86Å; L160-L184 WeakPolarHBondContact O-CD2 3.44Å; L163-L184 HydrophobicContact CB-CD2 4Å; L163-L184 HydrophobicContact CD2-CD2 3.78Å; L166-L184 HydrophobicContact CD2-CD1 3.67Å; F181-L184 HydrophobicContact CB-CD1 4.06Å; F181-L184 HydrophobicContact CD1-CD1 4.06Å; F181-L184 PolarHBondContact O-N 2.85Å; E182-L184 VanDerWaalsContact C-N 3.28Å; E182-L184 PolarHBondContact O-N 2.79Å; L184-N186 VanDerWaalsContact C-N 3.33Å; L184-N186 PolarHBondContact O-N 2.9Å; L184-L187 HydrophobicContact CB-CB 4.14Å; L184-L187 HydrophobicContact CB-CD2 4.41Å; L184-L187 HydrophobicContact CD1-CD2 4.02Å; L184-L187 WeakPolarHBondContact O-CB 3.34Å; L184-L187 PolarHBondContact O-N 3.41Å; L184-L208 HydrophobicContact CB-CD2 3.68Å
185	G	96.1	Very high	97.2	Very high	23 Å²	23	28 Å²	28	24%	0.237	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-28.6	-176.6	0	0	0	0	0	115.3	G183 S207 S210	G183-G185 PolarHBondContact O-N 2.92Å; G185-S207 WeakPolarHBondContact CA-O 3.26Å; G185-S210 VanDerWaalsContact O-CB 3.28Å; G185-S210 WeakPolarHBondContact O-CB 3.4Å; G185-S210 PolarHBondContact O-N 3.21Å; G185-S210 PolarHBondContact O-OG 3.38Å
186	N	97.1	Very high	97.2	Very high	66 Å²	66	33.2 Å²	33.2	35%	0.353	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	5.8	-178.2	-67.6	-41.7	0	0	0	113.6	T161 E162 L163 L184 I188	T161-N186 WeakPolarHBondContact O-CB 3.02Å; T161-N186 PolarHBondContact O-ND2 2.88Å; E162-N186 PolarHBondContact OE1-ND2 2.79Å; L163-N186 CarbonylContact O-C 3.57Å; L163-N186 VanDerWaalsContact O-C 3.28Å; L184-N186 VanDerWaalsContact C-N 3.33Å; L184-N186 PolarHBondContact O-N 2.9Å; N186-I188 PolarHBondContact O-N 2.99Å
187	L	98.3	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.			trans	-64	129.5	-179.1	-162.3	73.5	0	0	0	110.4	L163 L166 L184 L190 L208 S210 L211	L163-L187 HydrophobicContact CB-CD1 4.37Å; L163-L187 HydrophobicContact CD2-CD1 3.99Å; L163-L187 HydrophobicContact CG-CD1 3.99Å; L163-L187 WeakPolarHBondContact O-CA 3.04Å; L163-L187 PolarHBondContact O-N 3.2Å; L166-L187 HydrophobicContact CB-CD1 3.82Å; L166-L187 HydrophobicContact CB-CD2 4.28Å; L184-L187 HydrophobicContact CB-CB 4.14Å; L184-L187 HydrophobicContact CB-CD2 4.41Å; L184-L187 HydrophobicContact CD1-CD2 4.02Å; L184-L187 WeakPolarHBondContact O-CB 3.34Å; L184-L187 PolarHBondContact O-N 3.41Å; L187-L190 HydrophobicContact CD2-CB 3.9Å; L187-L190 HydrophobicContact CD2-CD1 4.38Å; L187-L190 HydrophobicContact CD2-CG 4.5Å; L187-L208 HydrophobicContact CB-CD2 4.18Å; L187-L208 HydrophobicContact CD2-CD2 3.77Å; L187-S210 CarbonylContact O-C 3.45Å; L187-L211 HydrophobicContact CB-CD1 4.23Å; L187-L211 HydrophobicContact CD2-CD1 3.88Å; L187-L211 HydrophobicContact CG-CD1 3.94Å; L187-L211 WeakPolarHBondContact O-CA 3.41Å; L187-L211 PolarHBondContact O-N 2.74Å
188	I	98.7	Very high	97.3	Very high	42 Å²	42	34.6 Å²	34.6	22%	0.215	19%	0.188	C	C	.	.			trans	-100.5	-41	-178.9	-60.5	178.2	0	0	0	109.9	K164 N186 E212 L213	K164-I188 HydrophobicContact CB-CD1 4.12Å; K164-I188 HydrophobicContact CB-CG1 4.27Å; K164-I188 HydrophobicContact CD-CD1 3.94Å; K164-I188 HydrophobicContact CG-CD1 4.04Å; K164-I188 HydrophobicContact CG-CG1 4.38Å; K164-I188 PolarHBondContact O-N 2.96Å; N186-I188 PolarHBondContact O-N 2.99Å; I188-E212 HydrophobicContact CG2-CB 4.09Å; I188-E212 HydrophobicContact CG2-CG 4.11Å; I188-E212 PolarHBondContact O-N 2.88Å; I188-L213 PolarHBondContact O-N 2.93Å
189	E	98.8	Very high	97.3	Very high	45 Å²	45	36.5 Å²	36.5	21%	0.21	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128	-176	-175.7	166.4	139.6	0	0	111.6	K164 Y165 L166 Y167 L213	K164-E189 PolarHBondContact O-N 2.66Å; Y165-E189 HydrophobicContact CD1-CB 3.78Å; Y165-E189 HydrophobicContact CE1-CB 4.27Å; L166-E189 PolarHBondContact N-O 3.33Å; Y167-E189 HydrophobicContact CE1-CG 4.35Å; Y167-E189 WeakPolarHBondContact CE1-OE1 3.46Å; Y167-E189 VanDerWaalsContact CZ-OE1 3.32Å; Y167-E189 VanDerWaalsContact OH-CD 3.31Å; Y167-E189 PolarHBondContact OH-OE1 3.39Å; E189-L213 HydrophobicContact CB-CB 4.41Å; E189-L213 HydrophobicContact CG-CB 4.09Å; E189-L213 HydrophobicContact CG-CD1 4.39Å; E189-L213 HydrophobicContact CG-CD2 3.97Å; E189-L213 HydrophobicContact CG-CG 4.36Å
190	L	98.8	Very high	97.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123.2	174.4	177.6	57.9	0	0	0	109.6	L166 L168 F181 L187 I192 F205 L208 L211 L213 L214 S215	L166-L190 HydrophobicContact CB-CD1 4.16Å; L166-L190 HydrophobicContact CD2-CD1 3.98Å; L166-L190 HydrophobicContact CG-CD1 4.01Å; L168-L190 HydrophobicContact CD1-CD1 4.37Å; F181-L190 HydrophobicContact CD1-CD2 4.3Å; F181-L190 HydrophobicContact CD2-CD2 4.37Å; F181-L190 HydrophobicContact CE1-CD1 4.07Å; F181-L190 HydrophobicContact CE1-CD2 4Å; F181-L190 HydrophobicContact CE2-CD2 4.08Å; F181-L190 HydrophobicContact CG-CD2 4.49Å; F181-L190 HydrophobicContact CZ-CD2 3.91Å; L187-L190 HydrophobicContact CD2-CB 3.9Å; L187-L190 HydrophobicContact CD2-CD1 4.38Å; L187-L190 HydrophobicContact CD2-CG 4.5Å; L190-I192 HydrophobicContact CD1-CD1 4.19Å; L190-I192 HydrophobicContact CD1-CG1 3.98Å; L190-I192 HydrophobicContact CD2-CD1 4.2Å; L190-I192 HydrophobicContact CG-CD1 4.22Å; L190-I192 HydrophobicContact CG-CG1 4.15Å; L190-F205 HydrophobicContact CD2-CE1 4.4Å; L190-L208 HydrophobicContact CD2-CD1 3.68Å; L190-L211 HydrophobicContact CB-CD1 3.81Å; L190-L211 HydrophobicContact CB-CD2 4.29Å; L190-L213 PolarHBondContact N-O 3.33Å; L190-L214 HydrophobicContact CB-CD1 4.17Å; L190-L214 HydrophobicContact CD2-CD1 3.98Å; L190-L214 HydrophobicContact CG-CD1 4.07Å; L190-L214 WeakPolarHBondContact O-CA 3.06Å; L190-S215 PolarHBondContact O-N 3.4Å
191	S	98.9	Very high	97.4	Very high	7 Å²	7	38.1 Å²	38.1	5%	0.049	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.1	174.3	-163.9	0	0	0	0	111.1	L166 L168 D169	L166-S191 PolarHBondContact O-N 3.22Å; L166-S191 VanDerWaalsContact O-N 3.1Å; L168-S191 PolarHBondContact N-O 3.47Å; D169-S191 VanDerWaalsContact OD1-C 3.22Å; D169-S191 VanDerWaalsContact OD1-CB 3.27Å; D169-S191 WeakPolarHBondContact OD1-CB 3.28Å; D169-S191 PolarHBondContact OD1-OG 2.88Å; D169-S191 PolarHBondContact OD2-OG 2.97Å
192	I	98.7	Very high	97.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.228	C	C	.	.			trans	-136	67.2	175	-45.2	174.1	0	0	0	107.7	L168 D169 L173 L176 F181 L190 A195 S215 L216 N219	L168-I192 HydrophobicContact CB-CG1 4.25Å; L168-I192 HydrophobicContact CD1-CG1 4.34Å; D169-I192 PolarHBondContact OD1-N 3.47Å; L173-I192 HydrophobicContact CD1-CG2 3.97Å; L176-I192 HydrophobicContact CD1-CD1 3.78Å; F181-I192 HydrophobicContact CE1-CD1 4.25Å; F181-I192 HydrophobicContact CE2-CD1 4.37Å; F181-I192 HydrophobicContact CZ-CD1 3.52Å; L190-I192 HydrophobicContact CD1-CD1 4.19Å; L190-I192 HydrophobicContact CD1-CG1 3.98Å; L190-I192 HydrophobicContact CD2-CD1 4.2Å; L190-I192 HydrophobicContact CG-CD1 4.22Å; L190-I192 HydrophobicContact CG-CG1 4.15Å; I192-A195 HydrophobicContact CG2-CB 3.62Å; I192-S215 PolarHBondContact N-O 3.09Å; I192-L216 HydrophobicContact CB-CD2 4.04Å; I192-L216 HydrophobicContact CD1-CD2 4.2Å; I192-L216 HydrophobicContact CG1-CD2 4.42Å; I192-N219 PolarHBondContact O-ND2 3.39Å
193	E	98.7	Very high	97.4	Very high	35 Å²	35	40.6 Å²	40.6	16%	0.164	22%	0.223	C	C	.	.			trans	-88.6	148.7	179.6	-56	-163.4	178.1	0	0	112.5	D169 E170 A195 S215 K217	D169-E193 CarbonylContact C-O 3.47Å; D169-E193 WeakPolarHBondContact CA-O 3.29Å; D169-E193 HydrophobicContact CB-CB 4.26Å; D169-E193 PolarHBondContact OD1-N 3.27Å; E170-E193 PolarHBondContact N-O 3.46Å; E193-A195 PolarHBondContact O-N 3.07Å; E193-A195 VanDerWaalsContact O-N 3.12Å; E193-S215 WeakPolarHBondContact CG-OG 3.34Å; E193-S215 PolarHBondContact OE1-OG 3.48Å; E193-K217 CarbonylContact C-O 3.59Å; E193-K217 VanDerWaalsContact CA-O 3.24Å; E193-K217 WeakPolarHBondContact CA-O 3.39Å; E193-K217 HydrophobicContact CB-CB 4.4Å; E193-K217 HydrophobicContact CG-CB 3.82Å; E193-K217 IonicContact OE2-NZ 3.14Å; E193-K217 PolarHBondContact OE2-NZ 3.24Å
194	N	98.7	Very high	97.6	Very high	51 Å²	51	39.4 Å²	39.4	27%	0.273	21%	0.21	S	C	.	.	S	Bend	trans	56.5	28.3	174.3	-48.7	-76.7	0	0	0	114.3	E170 K217 N218	E170-N194 HydrophobicContact CG-CB 4.05Å; N194-K217 PolarHBondContact N-O 3.47Å; N194-N218 WeakPolarHBondContact CA-O 3.4Å; N194-N218 WeakPolarHBondContact OD1-CB 3.37Å; N194-N218 PolarHBondContact OD1-ND2 2.98Å
195	A	97.8	Very high	97.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-90.5	-7.4	-171.4	0	0	0	0	0	115.1	N171 P172 L173 I192 E193 N219	N171-A195 CarbonylContact O-C 3.46Å; N171-A195 WeakPolarHBondContact O-CA 3.38Å; N171-A195 WeakPolarHBondContact O-CB 3.47Å; N171-A195 VanDerWaalsContact O-O 3.11Å; P172-A195 CarbonylContact C-O 3.12Å; P172-A195 VanDerWaalsContact C-O 3.32Å; P172-A195 WeakPolarHBondContact CA-O 3.42Å; L173-A195 CarbonylContact C-O 3.08Å; L173-A195 HydrophobicContact CB-CB 4.13Å; L173-A195 PolarHBondContact N-O 3.44Å; I192-A195 HydrophobicContact CG2-CB 3.62Å; E193-A195 PolarHBondContact O-N 3.07Å; E193-A195 VanDerWaalsContact O-N 3.12Å; A195-N219 WeakPolarHBondContact CA-OD1 3.33Å; A195-N219 WeakPolarHBondContact CB-OD1 3.38Å; A195-N219 PolarHBondContact N-OD1 2.97Å
196	R	97	Very high	97.6	Very high	142 Å²	142	42 Å²	42	54%	0.536	22%	0.219	S	C	.	.			trans	68.6	18.7	-171.5	-46.2	171.8	-179.6	174.8	1.4	113.7	L173 S198 N219	L173-R196 CarbonylContact O-C 3.6Å; R196-S198 PolarHBondContact O-N 3Å; R196-N219 PolarHBondContact N-OD1 2.88Å
197	L	97.9	Very high	97.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.			trans	-60	121.1	-178.8	-176.9	63.1	0	0	0	110.9	L173 L176 I200 L216 N219 R220 L221	L173-L197 WeakPolarHBondContact O-CA 3.49Å; L173-L197 PolarHBondContact O-N 2.81Å; L173-L197 VanDerWaalsContact O-N 3.16Å; L176-L197 HydrophobicContact CB-CD1 4.49Å; L176-L197 HydrophobicContact CD1-CD1 4.05Å; L176-L197 HydrophobicContact CD1-CD2 3.52Å; L176-L197 HydrophobicContact CD1-CG 4.43Å; L176-L197 HydrophobicContact CG-CD1 3.72Å; L176-L197 HydrophobicContact CG-CD2 4.16Å; L197-I200 HydrophobicContact CD1-CG1 4.19Å; L197-I200 HydrophobicContact CD2-CD1 3.62Å; L197-I200 HydrophobicContact CD2-CG1 3.81Å; L197-I200 HydrophobicContact CG-CD1 4.21Å; L197-I200 HydrophobicContact CG-CG1 3.98Å; L197-L216 HydrophobicContact CD2-CD2 4.06Å; L197-N219 HydrophobicContact CB-CB 4.02Å; L197-N219 WeakPolarHBondContact CB-OD1 3.27Å; L197-N219 PolarHBondContact N-OD1 3.05Å; L197-N219 VanDerWaalsContact N-OD1 3.1Å; L197-R220 CarbonylContact O-C 3.15Å; L197-R220 WeakPolarHBondContact O-CA 3.47Å; L197-R220 PolarHBondContact O-N 3.08Å; L197-L221 HydrophobicContact CG-CD2 4.27Å
198	S	97.6	Very high	97.6	Very high	71 Å²	71	40.5 Å²	40.5	50%	0.497	21%	0.213	S	C	.	.			trans	-118.3	-25.6	179.4	50.7	0	0	0	0	113.2	T174 R196	T174-S198 PolarHBondContact O-N 3.04Å; T174-S198 PolarHBondContact O-OG 3.05Å; R196-S198 PolarHBondContact O-N 3Å
199	E	97	Very high	97.4	Very high	134 Å²	134	45 Å²	45	63%	0.626	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.1	-175.9	-173.8	173.4	178.7	0	0	111.1	T174 S175 L176	T174-E199 PolarHBondContact O-N 3.26Å; S175-E199 CarbonylContact C-O 3.45Å; S175-E199 WeakPolarHBondContact CA-O 3.27Å; L176-E199 PolarHBondContact N-O 3.41Å
200	I	97.8	Very high	97.4	Very high	28 Å²	28	44.5 Å²	44.5	14%	0.144	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	115.1	175	-59.4	176.8	0	0	0	107.2	L176 L197 A204 F205 L216 L221 P225	L176-I200 HydrophobicContact CD1-CG1 4.34Å; L197-I200 HydrophobicContact CD1-CG1 4.19Å; L197-I200 HydrophobicContact CD2-CD1 3.62Å; L197-I200 HydrophobicContact CD2-CG1 3.81Å; L197-I200 HydrophobicContact CG-CD1 4.21Å; L197-I200 HydrophobicContact CG-CG1 3.98Å; I200-A204 HydrophobicContact CG2-CB 3.69Å; I200-F205 HydrophobicContact CD1-CE2 4.39Å; I200-F205 HydrophobicContact CD1-CZ 4.17Å; I200-F205 HydrophobicContact CG2-CD2 4.38Å; I200-F205 HydrophobicContact CG2-CE2 3.62Å; I200-F205 HydrophobicContact CG2-CZ 3.88Å; I200-L216 HydrophobicContact CD1-CD1 3.88Å; I200-L221 HydrophobicContact CD1-CD1 4.03Å; I200-L221 HydrophobicContact CD1-CD2 3.63Å; I200-L221 HydrophobicContact CG1-CD2 3.98Å; I200-P225 HydrophobicContact CB-CB 4.25Å; I200-P225 HydrophobicContact CD1-CB 3.85Å; I200-P225 HydrophobicContact CD1-CG 4.12Å; I200-P225 HydrophobicContact CG2-CB 4.22Å
201	S	96.6	Very high	97.4	Very high	38 Å²	38	44.5 Å²	44.5	27%	0.266	23%	0.232	S	C	.	.			trans	-61	151.5	177.5	84	0	0	0	0	111.3	L176 N177 N178 N203 A204	L176-S201 WeakPolarHBondContact O-CB 3.27Å; L176-S201 PolarHBondContact O-N 3.34Å; N177-S201 WeakPolarHBondContact CA-OG 3.14Å; N178-S201 PolarHBondContact N-OG 3.25Å; S201-N203 PolarHBondContact O-N 2.81Å; S201-A204 WeakPolarHBondContact O-CB 3.26Å; S201-A204 PolarHBondContact O-N 3.47Å; S201-A204 PolarHBondContact OG-N 3.34Å
202	T	95.5	Very high	97.4	Very high	85 Å²	85	48.2 Å²	48.2	52%	0.521	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.6	-177.4	-55.2	0	0	0	0	114.4	Q226	T202-Q226 HydrophobicContact CG2-CB 4.14Å; T202-Q226 HydrophobicContact CG2-CG 4.16Å
203	N	96.3	Very high	97.4	Very high	59 Å²	59	49 Å²	49	32%	0.316	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	15.1	-179.5	-61	-48.4	0	0	0	112.6	N178 S201 F205 L206 K228	N178-N203 HydrophobicContact CB-CB 4.19Å; S201-N203 PolarHBondContact O-N 2.81Å; N203-F205 PolarHBondContact O-N 2.93Å; N203-F205 VanDerWaalsContact O-N 3.17Å; N203-L206 HydrophobicContact CB-CB 4.33Å; N203-L206 HydrophobicContact CB-CD2 4.43Å; N203-L206 WeakPolarHBondContact O-CB 3.17Å; N203-L206 PolarHBondContact O-N 2.95Å; N203-L206 VanDerWaalsContact O-N 3.17Å; N203-K228 PolarHBondContact OD1-NZ 3.07Å
204	A	97.2	Very high	97.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-33.3	-176.5	0	0	0	0	0	113.3	L176 N177 I200 S201	L176-A204 HydrophobicContact CB-CB 4.13Å; N177-A204 VanDerWaalsContact O-CA 3.29Å; N177-A204 WeakPolarHBondContact O-CA 3.03Å; I200-A204 HydrophobicContact CG2-CB 3.69Å; S201-A204 WeakPolarHBondContact O-CB 3.26Å; S201-A204 PolarHBondContact O-N 3.47Å; S201-A204 PolarHBondContact OG-N 3.34Å
205	F	97.1	Very high	97.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	11.9	-176.7	-53.8	-56.4	0	0	0	113.9	L176 F181 L190 I200 N203 S207 L208 L214 L216 P225 K228 M230	L176-F205 HydrophobicContact CD1-CE1 4.22Å; L176-F205 HydrophobicContact CD1-CZ 4.27Å; F181-F205 HydrophobicContact CD2-CD1 4Å; F181-F205 HydrophobicContact CD2-CE1 4.22Å; F181-F205 AromaticContact CE2-CD1 3.99Å; F181-F205 HydrophobicContact CE2-CD1 3.99Å; F181-F205 AromaticContact CE2-CE1 3.73Å; F181-F205 HydrophobicContact CE2-CE1 3.73Å; L190-F205 HydrophobicContact CD2-CE1 4.4Å; I200-F205 HydrophobicContact CD1-CE2 4.39Å; I200-F205 HydrophobicContact CD1-CZ 4.17Å; I200-F205 HydrophobicContact CG2-CD2 4.38Å; I200-F205 HydrophobicContact CG2-CE2 3.62Å; I200-F205 HydrophobicContact CG2-CZ 3.88Å; N203-F205 PolarHBondContact O-N 2.93Å; N203-F205 VanDerWaalsContact O-N 3.17Å; F205-S207 PolarHBondContact O-N 3Å; F205-S207 VanDerWaalsContact O-N 3.15Å; F205-L208 HydrophobicContact CB-CD1 4.15Å; F205-L208 HydrophobicContact CD1-CD1 3.66Å; F205-L208 HydrophobicContact CG-CD1 4.34Å; F205-L208 WeakPolarHBondContact O-CB 3.28Å; F205-L208 PolarHBondContact O-N 2.94Å; F205-L208 VanDerWaalsContact O-N 3.07Å; F205-L214 HydrophobicContact CE2-CD2 4.34Å; F205-L214 HydrophobicContact CZ-CD2 4.29Å; F205-L216 HydrophobicContact CZ-CD1 4.28Å; F205-P225 HydrophobicContact CE2-CB 4.45Å; F205-K228 CarbonylContact C-O 3.56Å; F205-M230 HydrophobicContact CB-CE 3.71Å; F205-M230 HydrophobicContact CB-CG 3.99Å; F205-M230 HydrophobicContact CB-SD 3.7Å; F205-M230 HydrophobicContact CD2-CE 3.68Å; F205-M230 HydrophobicContact CD2-SD 4.39Å; F205-M230 HydrophobicContact CE2-CE 4.49Å; F205-M230 HydrophobicContact CG-CE 3.83Å; F205-M230 HydrophobicContact CG-SD 3.98Å
206	L	96.4	Very high	97.4	Very high	79 Å²	79	45 Å²	45	41%	0.414	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.1	-171.4	-173.4	64.1	0	0	0	113.3	N203 K228	N203-L206 HydrophobicContact CB-CB 4.33Å; N203-L206 HydrophobicContact CB-CD2 4.43Å; N203-L206 WeakPolarHBondContact O-CB 3.17Å; N203-L206 PolarHBondContact O-N 2.95Å; N203-L206 VanDerWaalsContact O-N 3.17Å; L206-K228 HydrophobicContact CD1-CD 4.4Å; L206-K228 HydrophobicContact CD1-CG 4.23Å
207	S	95.7	Very high	97.5	Very high	33 Å²	33	41.6 Å²	41.6	23%	0.231	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.4	-179.3	-58.1	0	0	0	0	113.7	F181 G185 F205 K209	F181-S207 VanDerWaalsContact O-CB 3.31Å; F181-S207 WeakPolarHBondContact O-CB 3.25Å; G185-S207 WeakPolarHBondContact CA-O 3.26Å; F205-S207 PolarHBondContact O-N 3Å; F205-S207 VanDerWaalsContact O-N 3.15Å; S207-K209 PolarHBondContact O-N 2.63Å
208	L	97.7	Very high	97.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.			trans	-81.9	57.8	-170.3	-59.9	-174.9	0	0	0	112.8	F181 L184 L187 L190 F205 S210 L211 M230	F181-L208 HydrophobicContact CB-CD1 4.43Å; F181-L208 HydrophobicContact CB-CD2 3.83Å; F181-L208 HydrophobicContact CB-CG 4.21Å; F181-L208 HydrophobicContact CD2-CD1 4.22Å; F181-L208 HydrophobicContact CG-CD1 4.36Å; F181-L208 HydrophobicContact CG-CD2 4.45Å; L184-L208 HydrophobicContact CB-CD2 3.68Å; L187-L208 HydrophobicContact CB-CD2 4.18Å; L187-L208 HydrophobicContact CD2-CD2 3.77Å; L190-L208 HydrophobicContact CD2-CD1 3.68Å; F205-L208 HydrophobicContact CB-CD1 4.15Å; F205-L208 HydrophobicContact CD1-CD1 3.66Å; F205-L208 HydrophobicContact CG-CD1 4.34Å; F205-L208 WeakPolarHBondContact O-CB 3.28Å; F205-L208 PolarHBondContact O-N 2.94Å; F205-L208 VanDerWaalsContact O-N 3.07Å; L208-S210 VanDerWaalsContact C-N 3.32Å; L208-S210 PolarHBondContact O-N 2.94Å; L208-L211 HydrophobicContact CB-CB 4.03Å; L208-L211 HydrophobicContact CB-CD2 4.4Å; L208-L211 HydrophobicContact CD1-CD2 3.92Å; L208-L211 PolarHBondContact O-N 3.32Å; L208-M230 HydrophobicContact CB-CG 4.03Å; L208-M230 HydrophobicContact CD1-SD 4.48Å
209	K	96.2	Very high	97.6	Very high	138 Å²	138	41.8 Å²	41.8	60%	0.6	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-32	-171.3	-64.6	175.7	-175.3	171.5	0	113.8	S207 N232	S207-K209 PolarHBondContact O-N 2.63Å; K209-N232 PolarHBondContact O-ND2 3.5Å
210	S	97.7	Very high	97.7	Very high	33 Å²	33	42.2 Å²	42.2	23%	0.231	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	2	-176.6	-54.4	0	0	0	0	113.8	G185 L187 L208 E212	G185-S210 VanDerWaalsContact O-CB 3.28Å; G185-S210 WeakPolarHBondContact O-CB 3.4Å; G185-S210 PolarHBondContact O-N 3.21Å; G185-S210 PolarHBondContact O-OG 3.38Å; L187-S210 CarbonylContact O-C 3.45Å; L208-S210 VanDerWaalsContact C-N 3.32Å; L208-S210 PolarHBondContact O-N 2.94Å; S210-E212 PolarHBondContact O-N 2.8Å
211	L	98.6	Very high	97.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.			trans	-66.1	126.9	-171.3	-162	78	0	0	0	111.4	L187 L190 L208 L214 M230 N232 L233	L187-L211 HydrophobicContact CB-CD1 4.23Å; L187-L211 HydrophobicContact CD2-CD1 3.88Å; L187-L211 HydrophobicContact CG-CD1 3.94Å; L187-L211 WeakPolarHBondContact O-CA 3.41Å; L187-L211 PolarHBondContact O-N 2.74Å; L190-L211 HydrophobicContact CB-CD1 3.81Å; L190-L211 HydrophobicContact CB-CD2 4.29Å; L208-L211 HydrophobicContact CB-CB 4.03Å; L208-L211 HydrophobicContact CB-CD2 4.4Å; L208-L211 HydrophobicContact CD1-CD2 3.92Å; L208-L211 PolarHBondContact O-N 3.32Å; L211-L214 HydrophobicContact CD2-CB 3.98Å; L211-L214 HydrophobicContact CD2-CD1 4.34Å; L211-M230 HydrophobicContact CB-CG 4.48Å; L211-M230 HydrophobicContact CD2-CG 4.38Å; L211-M230 HydrophobicContact CD2-SD 3.51Å; L211-M230 VanDerWaalsContact CD2-SD 3.51Å; L211-N232 CarbonylContact O-C 3.57Å; L211-L233 HydrophobicContact CD2-CD1 4Å; L211-L233 HydrophobicContact CG-CD1 4.2Å; L211-L233 WeakPolarHBondContact O-CA 3.44Å; L211-L233 PolarHBondContact O-N 3.29Å
212	E	98.7	Very high	97.7	Very high	85 Å²	85	46 Å²	46	40%	0.397	23%	0.226	S	C	.	.			trans	-104.5	-37.6	179.2	-65.9	-174.5	-158.8	0	0	111.6	I188 S210 N234 R235	I188-E212 HydrophobicContact CG2-CB 4.09Å; I188-E212 HydrophobicContact CG2-CG 4.11Å; I188-E212 PolarHBondContact O-N 2.88Å; S210-E212 PolarHBondContact O-N 2.8Å; E212-N234 PolarHBondContact O-N 3.47Å; E212-N234 PolarHBondContact O-OD1 3.41Å; E212-N234 VanDerWaalsContact O-OD1 3.06Å; E212-R235 PolarHBondContact O-N 3.43Å
213	L	98.7	Very high	97.8	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.089	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.9	-179.1	-168.1	161.4	0	0	0	111.7	I188 E189 L190 R235	I188-L213 PolarHBondContact O-N 2.93Å; E189-L213 HydrophobicContact CB-CB 4.41Å; E189-L213 HydrophobicContact CG-CB 4.09Å; E189-L213 HydrophobicContact CG-CD1 4.39Å; E189-L213 HydrophobicContact CG-CD2 3.97Å; E189-L213 HydrophobicContact CG-CG 4.36Å; L190-L213 PolarHBondContact N-O 3.33Å; L213-R235 WeakPolarHBondContact CA-O 3.44Å; L213-R235 HydrophobicContact CB-CB 4.33Å; L213-R235 HydrophobicContact CG-CB 4.11Å
214	L	98.8	Very high	97.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.4	169.6	179.4	59.8	0	0	0	110.9	L190 F205 L211 L216 L227 M230 L233 R235 I236 V237	L190-L214 HydrophobicContact CB-CD1 4.17Å; L190-L214 HydrophobicContact CD2-CD1 3.98Å; L190-L214 HydrophobicContact CG-CD1 4.07Å; L190-L214 WeakPolarHBondContact O-CA 3.06Å; F205-L214 HydrophobicContact CE2-CD2 4.34Å; F205-L214 HydrophobicContact CZ-CD2 4.29Å; L211-L214 HydrophobicContact CD2-CB 3.98Å; L211-L214 HydrophobicContact CD2-CD1 4.34Å; L214-L216 HydrophobicContact CD1-CD2 4.09Å; L214-L216 HydrophobicContact CD1-CG 4.06Å; L214-L216 HydrophobicContact CD2-CD1 4.08Å; L214-L216 HydrophobicContact CD2-CG 4.37Å; L214-L216 HydrophobicContact CG-CD1 4.31Å; L214-L216 HydrophobicContact CG-CG 4.05Å; L214-L227 HydrophobicContact CD2-CD2 3.95Å; L214-M230 HydrophobicContact CD2-CE 4.04Å; L214-M230 HydrophobicContact CD2-SD 4.08Å; L214-L233 HydrophobicContact CB-CD1 3.75Å; L214-L233 HydrophobicContact CB-CD2 4.42Å; L214-R235 PolarHBondContact N-O 3.3Å; L214-I236 HydrophobicContact CD2-CD1 4.49Å; L214-I236 WeakPolarHBondContact O-CA 3.22Å; L214-V237 PolarHBondContact O-N 3.17Å
215	S	98.8	Very high	97.9	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121.6	168.2	-166.3	0	0	0	0	111.3	L190 I192 E193	L190-S215 PolarHBondContact O-N 3.4Å; I192-S215 PolarHBondContact N-O 3.09Å; E193-S215 WeakPolarHBondContact CG-OG 3.34Å; E193-S215 PolarHBondContact OE1-OG 3.48Å
216	L	98.8	Very high	97.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.233	C	C	.	.			trans	-122.9	30.6	172.2	-61.4	175.2	0	0	0	110.2	I192 L197 I200 F205 L214 N219 L221 P225 V237 L238 N241	I192-L216 HydrophobicContact CB-CD2 4.04Å; I192-L216 HydrophobicContact CD1-CD2 4.2Å; I192-L216 HydrophobicContact CG1-CD2 4.42Å; L197-L216 HydrophobicContact CD2-CD2 4.06Å; I200-L216 HydrophobicContact CD1-CD1 3.88Å; F205-L216 HydrophobicContact CZ-CD1 4.28Å; L214-L216 HydrophobicContact CD1-CD2 4.09Å; L214-L216 HydrophobicContact CD1-CG 4.06Å; L214-L216 HydrophobicContact CD2-CD1 4.08Å; L214-L216 HydrophobicContact CD2-CG 4.37Å; L214-L216 HydrophobicContact CG-CD1 4.31Å; L214-L216 HydrophobicContact CG-CG 4.05Å; L216-N219 PolarHBondContact O-ND2 2.75Å; L216-L221 HydrophobicContact CB-CD1 4.12Å; L216-L221 HydrophobicContact CD1-CD1 3.97Å; L216-P225 HydrophobicContact CD1-CG 3.97Å; L216-V237 PolarHBondContact N-O 3.22Å; L216-L238 HydrophobicContact CB-CD2 4.08Å; L216-L238 HydrophobicContact CD1-CD2 4.09Å; L216-N241 PolarHBondContact O-ND2 2.97Å
217	K	98.8	Very high	97.8	Very high	70 Å²	70	44 Å²	44	30%	0.304	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	144.8	-175.2	174	167.9	144.1	-111.8	0	112.3	E193 N194 N219 V237 S239	E193-K217 CarbonylContact C-O 3.59Å; E193-K217 VanDerWaalsContact CA-O 3.24Å; E193-K217 WeakPolarHBondContact CA-O 3.39Å; E193-K217 HydrophobicContact CB-CB 4.4Å; E193-K217 HydrophobicContact CG-CB 3.82Å; E193-K217 IonicContact OE2-NZ 3.14Å; E193-K217 PolarHBondContact OE2-NZ 3.24Å; N194-K217 PolarHBondContact N-O 3.47Å; K217-N219 VanDerWaalsContact C-N 3.31Å; K217-N219 PolarHBondContact O-N 2.87Å; K217-N219 PolarHBondContact O-ND2 3.43Å; K217-V237 HydrophobicContact CB-CG1 3.94Å; K217-V237 HydrophobicContact CD-CG1 4.22Å; K217-S239 CarbonylContact C-O 3.14Å; K217-S239 VanDerWaalsContact CA-O 3.3Å; K217-S239 WeakPolarHBondContact CA-O 3.48Å
218	N	98.7	Very high	97.8	Very high	67 Å²	67	45.9 Å²	45.9	36%	0.358	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	42.1	176	-63.8	-14.3	0	0	0	113.9	N194 S239	N194-N218 WeakPolarHBondContact CA-O 3.4Å; N194-N218 WeakPolarHBondContact OD1-CB 3.37Å; N194-N218 PolarHBondContact OD1-ND2 2.98Å; N218-S239 PolarHBondContact N-O 3.4Å
219	N	98.7	Very high	97.5	Very high	7 Å²	7	47 Å²	47	4%	0.037	23%	0.23	C	C	.	.	S	Bend	trans	-101.5	-166.7	170.6	-77.2	-59.9	0	0	0	111.1	I192 A195 R196 L197 L216 K217 L221 N241 P242	I192-N219 PolarHBondContact O-ND2 3.39Å; A195-N219 WeakPolarHBondContact CA-OD1 3.33Å; A195-N219 WeakPolarHBondContact CB-OD1 3.38Å; A195-N219 PolarHBondContact N-OD1 2.97Å; R196-N219 PolarHBondContact N-OD1 2.88Å; L197-N219 HydrophobicContact CB-CB 4.02Å; L197-N219 WeakPolarHBondContact CB-OD1 3.27Å; L197-N219 PolarHBondContact N-OD1 3.05Å; L197-N219 VanDerWaalsContact N-OD1 3.1Å; L216-N219 PolarHBondContact O-ND2 2.75Å; K217-N219 VanDerWaalsContact C-N 3.31Å; K217-N219 PolarHBondContact O-N 2.87Å; K217-N219 PolarHBondContact O-ND2 3.43Å; N219-L221 HydrophobicContact CB-CG 4.22Å; N219-N241 VanDerWaalsContact CA-OD1 3.24Å; N219-N241 WeakPolarHBondContact CA-OD1 3.49Å; N219-N241 WeakPolarHBondContact CB-OD1 3.23Å; N219-N241 PolarHBondContact N-OD1 2.87Å; N219-N241 PolarHBondContact O-OD1 2.61Å; N219-P242 WeakPolarHBondContact O-CD 3.39Å
220	R	98.4	Very high	97.5	Very high	144 Å²	144	40.5 Å²	40.5	54%	0.543	20%	0.201	S	C	.	.			trans	-112.4	28.9	-176.9	-62.5	-177.8	179.6	-176.4	0.1	111.9	L197 E222 N241	L197-R220 CarbonylContact O-C 3.15Å; L197-R220 WeakPolarHBondContact O-CA 3.47Å; L197-R220 PolarHBondContact O-N 3.08Å; R220-E222 PolarHBondContact O-N 3.09Å; R220-N241 PolarHBondContact N-OD1 2.82Å
221	L	98.4	Very high	97.2	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.037	21%	0.214	C	C	.	.			trans	-72.8	118	-178.8	-54.5	175.3	0	0	0	110.4	L197 I200 L216 N219 P225 L238 N241 P242 I243	L197-L221 HydrophobicContact CG-CD2 4.27Å; I200-L221 HydrophobicContact CD1-CD1 4.03Å; I200-L221 HydrophobicContact CD1-CD2 3.63Å; I200-L221 HydrophobicContact CG1-CD2 3.98Å; L216-L221 HydrophobicContact CB-CD1 4.12Å; L216-L221 HydrophobicContact CD1-CD1 3.97Å; N219-L221 HydrophobicContact CB-CG 4.22Å; L221-P225 HydrophobicContact CD1-CG 4.48Å; L221-L238 HydrophobicContact CD1-CD2 4.09Å; L221-N241 HydrophobicContact CB-CB 4.2Å; L221-N241 WeakPolarHBondContact CB-OD1 3.16Å; L221-N241 WeakPolarHBondContact CG-OD1 3.17Å; L221-N241 PolarHBondContact N-OD1 2.82Å; L221-N241 VanDerWaalsContact N-OD1 3.08Å; L221-P242 CarbonylContact O-C 3.22Å; L221-P242 VanDerWaalsContact O-CD 3.29Å; L221-P242 WeakPolarHBondContact O-CD 3.5Å; L221-I243 WeakPolarHBondContact O-CG1 3.24Å; L221-I243 PolarHBondContact O-N 3.06Å; L221-I243 VanDerWaalsContact O-N 3.15Å
222	E	97.5	Very high	97.1	Very high	137 Å²	137	45.7 Å²	45.7	64%	0.64	23%	0.232	S	C	*	.	S	Bend	trans	-84.7	-13.5	176.4	-62.7	-173.2	-177.5	0	0	113	R220 P242 I243 V244	R220-E222 PolarHBondContact O-N 3.09Å; E222-P242 HydrophobicContact CG-CG 4.47Å; E222-I243 WeakPolarHBondContact O-CA 3.33Å; E222-V244 PolarHBondContact O-N 2.88Å
223	V	97.4	Very high	97.1	Very high	82 Å²	82	41.7 Å²	41.7	50%	0.497	21%	0.213	S	C	.	.	S	Bend	trans	-139.1	158.2	179.3	-62.6	0	0	0	0	110.6
224	V	97.8	Very high	97	Very high	9 Å²	9	42.2 Å²	42.2	6%	0.055	22%	0.216	C	C	.	.			trans	-66	125.8	168.6	179.8	0	0	0	0	108.4	L238 I243 I246 A250 F251	V224-L238 HydrophobicContact CG1-CD1 4.06Å; V224-L238 HydrophobicContact CG2-CD1 4.31Å; V224-I243 HydrophobicContact CG2-CD1 3.97Å; V224-I246 HydrophobicContact CG2-CD1 3.82Å; V224-I246 HydrophobicContact CG2-CG2 4.43Å; V224-A250 HydrophobicContact CB-CB 4.08Å; V224-A250 HydrophobicContact CG1-CB 4.17Å; V224-A250 HydrophobicContact CG2-CB 4.19Å; V224-F251 HydrophobicContact CG1-CD1 4.44Å; V224-F251 HydrophobicContact CG1-CE1 3.89Å; V224-F251 HydrophobicContact CG1-CZ 4Å; V224-F251 HydrophobicContact CG2-CZ 4.28Å
225	P	97.1	Very high	97	Very high	9 Å²	9	48.2 Å²	48.2	6%	0.058	24%	0.239	C	C	.	.			trans	-68.6	158.6	-178.3	27.5	-33.8	0	0	0	111.9	I200 F205 L216 L221 L227 L238	I200-P225 HydrophobicContact CB-CB 4.25Å; I200-P225 HydrophobicContact CD1-CB 3.85Å; I200-P225 HydrophobicContact CD1-CG 4.12Å; I200-P225 HydrophobicContact CG2-CB 4.22Å; F205-P225 HydrophobicContact CE2-CB 4.45Å; L216-P225 HydrophobicContact CD1-CG 3.97Å; L221-P225 HydrophobicContact CD1-CG 4.48Å; P225-L227 HydrophobicContact CG-CD2 4.12Å; P225-L227 PolarHBondContact O-N 2.96Å; P225-L238 HydrophobicContact CG-CD2 4.45Å
226	Q	95	Very high	97	Very high	82 Å²	82	48.1 Å²	48.1	38%	0.383	24%	0.238	S	C	.	.			trans	-73.4	114.3	174.4	-64.7	-62.4	-52.6	0	0	109.8	T202 K228	T202-Q226 HydrophobicContact CG2-CB 4.14Å; T202-Q226 HydrophobicContact CG2-CG 4.16Å; Q226-K228 PolarHBondContact O-N 3.09Å
227	L	96.3	Very high	97	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	25%	0.248	C	C	.	.			trans	-89.7	36.9	-174	-60	176.5	0	0	0	112.9	L214 P225 M230 L233 I236 F251 W253 V254	L214-L227 HydrophobicContact CD2-CD2 3.95Å; P225-L227 HydrophobicContact CG-CD2 4.12Å; P225-L227 PolarHBondContact O-N 2.96Å; L227-M230 HydrophobicContact CB-CE 3.46Å; L227-M230 VanDerWaalsContact CB-CE 3.46Å; L227-M230 HydrophobicContact CD2-CE 3.32Å; L227-M230 HydrophobicContact CG-CE 3.94Å; L227-L233 HydrophobicContact CD1-CD2 4.22Å; L227-I236 HydrophobicContact CD1-CD1 3.6Å; L227-I236 HydrophobicContact CD2-CD1 3.93Å; L227-I236 HydrophobicContact CG-CD1 4.43Å; L227-F251 HydrophobicContact CD1-CD1 3.89Å; L227-F251 HydrophobicContact CD1-CE1 4.33Å; L227-W253 WeakPolarHBondContact O-CB 3.5Å; L227-V254 HydrophobicContact CB-CG1 3.71Å; L227-V254 HydrophobicContact CB-CG2 4.31Å; L227-V254 HydrophobicContact CD1-CG1 4.23Å; L227-V254 HydrophobicContact CD1-CG2 3.63Å
228	K	95.6	Very high	97	Very high	72 Å²	72	46.4 Å²	46.4	31%	0.313	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	135.3	-173.6	-172.2	-179.2	174.3	-168.3	0	110.9	N203 F205 L206 Q226 W253	N203-K228 PolarHBondContact OD1-NZ 3.07Å; F205-K228 CarbonylContact C-O 3.56Å; L206-K228 HydrophobicContact CD1-CD 4.4Å; L206-K228 HydrophobicContact CD1-CG 4.23Å; Q226-K228 PolarHBondContact O-N 3.09Å; K228-W253 HydrophobicContact CB-CD2 4.45Å; K228-W253 HydrophobicContact CB-CG 4.35Å; K228-W253 HydrophobicContact CG-CD2 4.37Å
229	G	92.1	Very high	97	Very high	25 Å²	25	43.5 Å²	43.5	26%	0.258	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	-19.1	176.9	0	0	0	0	0	114.8	S231	G229-S231 VanDerWaalsContact C-N 3.32Å; G229-S231 PolarHBondContact O-N 3.36Å; G229-S231 VanDerWaalsContact O-N 3.07Å
230	M	95.4	Very high	97	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.			trans	-88.5	60.4	-176	-61.3	-178.5	-72.4	0	0	112.3	F205 L208 L211 L214 L227 N232 L233 V254	F205-M230 HydrophobicContact CB-CE 3.71Å; F205-M230 HydrophobicContact CB-CG 3.99Å; F205-M230 HydrophobicContact CB-SD 3.7Å; F205-M230 HydrophobicContact CD2-CE 3.68Å; F205-M230 HydrophobicContact CD2-SD 4.39Å; F205-M230 HydrophobicContact CE2-CE 4.49Å; F205-M230 HydrophobicContact CG-CE 3.83Å; F205-M230 HydrophobicContact CG-SD 3.98Å; L208-M230 HydrophobicContact CB-CG 4.03Å; L208-M230 HydrophobicContact CD1-SD 4.48Å; L211-M230 HydrophobicContact CB-CG 4.48Å; L211-M230 HydrophobicContact CD2-CG 4.38Å; L211-M230 HydrophobicContact CD2-SD 3.51Å; L211-M230 VanDerWaalsContact CD2-SD 3.51Å; L214-M230 HydrophobicContact CD2-CE 4.04Å; L214-M230 HydrophobicContact CD2-SD 4.08Å; L227-M230 HydrophobicContact CB-CE 3.46Å; L227-M230 VanDerWaalsContact CB-CE 3.46Å; L227-M230 HydrophobicContact CD2-CE 3.32Å; L227-M230 HydrophobicContact CG-CE 3.94Å; M230-N232 PolarHBondContact O-N 3.06Å; M230-N232 VanDerWaalsContact O-N 3.1Å; M230-L233 HydrophobicContact CB-CB 3.99Å; M230-L233 HydrophobicContact CE-CD2 4.29Å; M230-L233 WeakPolarHBondContact O-CB 3.21Å; M230-L233 PolarHBondContact O-N 3Å; M230-L233 VanDerWaalsContact O-N 3.12Å; M230-L233 HydrophobicContact SD-CD2 4.43Å; M230-V254 HydrophobicContact CB-CG1 4.32Å; M230-V254 WeakPolarHBondContact O-CG1 3.47Å
231	S	91.2	Very high	97	Very high	70 Å²	70	37.4 Å²	37.4	49%	0.49	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-20.3	-174.8	49.8	0	0	0	0	114.6	G229 I256	G229-S231 VanDerWaalsContact C-N 3.32Å; G229-S231 PolarHBondContact O-N 3.36Å; G229-S231 VanDerWaalsContact O-N 3.07Å; S231-I256 WeakPolarHBondContact O-CD1 3.44Å
232	N	96.7	Very high	97	Very high	73 Å²	73	39 Å²	39	39%	0.39	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	3.2	-179.7	-69.5	-12.2	0	0	0	113.9	K209 L211 M230 N234	K209-N232 PolarHBondContact O-ND2 3.5Å; L211-N232 CarbonylContact O-C 3.57Å; M230-N232 PolarHBondContact O-N 3.06Å; M230-N232 VanDerWaalsContact O-N 3.1Å; N232-N234 PolarHBondContact O-N 2.78Å; N232-N234 VanDerWaalsContact O-N 3.11Å
233	L	98.3	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.182	C	C	.	.			trans	-67.7	115.1	-175.1	-166.9	74.3	0	0	0	110.6	L211 L214 L227 M230 I236 V254 I256 L257	L211-L233 HydrophobicContact CD2-CD1 4Å; L211-L233 HydrophobicContact CG-CD1 4.2Å; L211-L233 WeakPolarHBondContact O-CA 3.44Å; L211-L233 PolarHBondContact O-N 3.29Å; L214-L233 HydrophobicContact CB-CD1 3.75Å; L214-L233 HydrophobicContact CB-CD2 4.42Å; L227-L233 HydrophobicContact CD1-CD2 4.22Å; M230-L233 HydrophobicContact CB-CB 3.99Å; M230-L233 HydrophobicContact CE-CD2 4.29Å; M230-L233 WeakPolarHBondContact O-CB 3.21Å; M230-L233 PolarHBondContact O-N 3Å; M230-L233 VanDerWaalsContact O-N 3.12Å; M230-L233 HydrophobicContact SD-CD2 4.43Å; L233-I236 HydrophobicContact CD2-CB 4.4Å; L233-I236 HydrophobicContact CD2-CD1 4.34Å; L233-V254 HydrophobicContact CB-CB 4.39Å; L233-V254 HydrophobicContact CB-CG1 3.93Å; L233-V254 HydrophobicContact CD2-CG1 3.99Å; L233-I256 WeakPolarHBondContact O-CG1 3.5Å; L233-L257 HydrophobicContact CD2-CD2 4.1Å; L233-L257 HydrophobicContact CG-CD2 3.99Å; L233-L257 WeakPolarHBondContact O-CD2 3.41Å
234	N	98	Very high	97.1	Very high	29 Å²	29	31.3 Å²	31.3	16%	0.155	18%	0.175	C	C	.	.			trans	-110.6	-21.4	179.9	63.5	41.7	0	0	0	112.5	E212 N232 E258 N259	E212-N234 PolarHBondContact O-N 3.47Å; E212-N234 PolarHBondContact O-OD1 3.41Å; E212-N234 VanDerWaalsContact O-OD1 3.06Å; N232-N234 PolarHBondContact O-N 2.78Å; N232-N234 VanDerWaalsContact O-N 3.11Å; N234-E258 HydrophobicContact CB-CG 4.11Å; N234-E258 PolarHBondContact O-N 3.04Å; N234-N259 PolarHBondContact O-N 3.37Å
235	R	98.7	Very high	97.1	Very high	125 Å²	125	36.3 Å²	36.3	47%	0.472	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	126	-177.3	-72.5	164.3	72.9	-163.9	-3.8	111	E212 L213 L214 N259	E212-R235 PolarHBondContact O-N 3.43Å; L213-R235 WeakPolarHBondContact CA-O 3.44Å; L213-R235 HydrophobicContact CB-CB 4.33Å; L213-R235 HydrophobicContact CG-CB 4.11Å; L214-R235 PolarHBondContact N-O 3.3Å; R235-N259 WeakPolarHBondContact CA-O 3.43Å; R235-N259 HydrophobicContact CG-CB 3.85Å
236	I	98.7	Very high	97.2	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133	175.6	-167.8	170.3	0	0	0	112.3	L214 L227 L233 L238 F251 L257 N259 I260 Q261	L214-I236 HydrophobicContact CD2-CD1 4.49Å; L214-I236 WeakPolarHBondContact O-CA 3.22Å; L227-I236 HydrophobicContact CD1-CD1 3.6Å; L227-I236 HydrophobicContact CD2-CD1 3.93Å; L227-I236 HydrophobicContact CG-CD1 4.43Å; L233-I236 HydrophobicContact CD2-CB 4.4Å; L233-I236 HydrophobicContact CD2-CD1 4.34Å; I236-L238 HydrophobicContact CD1-CD1 3.89Å; I236-L238 HydrophobicContact CD1-CD2 4.48Å; I236-L238 HydrophobicContact CD1-CG 4.06Å; I236-L238 HydrophobicContact CG1-CD1 4.32Å; I236-L238 HydrophobicContact CG1-CG 4.07Å; I236-F251 HydrophobicContact CD1-CE1 4.35Å; I236-F251 HydrophobicContact CG2-CE1 4.28Å; I236-L257 HydrophobicContact CB-CD2 4.17Å; I236-L257 HydrophobicContact CG2-CD1 3.99Å; I236-L257 HydrophobicContact CG2-CD2 3.88Å; I236-N259 PolarHBondContact N-O 2.05Å; I236-I260 HydrophobicContact CG2-CB 4.31Å; I236-I260 HydrophobicContact CG2-CG1 3.93Å; I236-I260 HydrophobicContact CG2-CG2 4.23Å; I236-Q261 PolarHBondContact O-N 2.74Å
237	V	98.9	Very high	97.3	Very high	32 Å²	32	33.8 Å²	33.8	19%	0.194	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	110.7	175.4	-172.2	0	0	0	0	109.5	L214 L216 K217 Q261	L214-V237 PolarHBondContact O-N 3.17Å; L216-V237 PolarHBondContact N-O 3.22Å; K217-V237 HydrophobicContact CB-CG1 3.94Å; K217-V237 HydrophobicContact CD-CG1 4.22Å; V237-Q261 HydrophobicContact CB-CB 4.36Å; V237-Q261 HydrophobicContact CG1-CB 4.05Å; V237-Q261 HydrophobicContact CG2-CB 4.19Å; V237-Q261 HydrophobicContact CG2-CG 4.23Å
238	L	98.8	Very high	97.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.2	C	C	.	.			trans	-116.1	11.7	176.1	-69.1	165.6	0	0	0	111.7	L216 L221 V224 P225 I236 N241 I243 F251 Q261 L262 M265	L216-L238 HydrophobicContact CB-CD2 4.08Å; L216-L238 HydrophobicContact CD1-CD2 4.09Å; L221-L238 HydrophobicContact CD1-CD2 4.09Å; V224-L238 HydrophobicContact CG1-CD1 4.06Å; V224-L238 HydrophobicContact CG2-CD1 4.31Å; P225-L238 HydrophobicContact CG-CD2 4.45Å; I236-L238 HydrophobicContact CD1-CD1 3.89Å; I236-L238 HydrophobicContact CD1-CD2 4.48Å; I236-L238 HydrophobicContact CD1-CG 4.06Å; I236-L238 HydrophobicContact CG1-CD1 4.32Å; I236-L238 HydrophobicContact CG1-CG 4.07Å; L238-N241 WeakPolarHBondContact O-CB 3.1Å; L238-N241 PolarHBondContact O-N 3.4Å; L238-N241 PolarHBondContact O-ND2 2.99Å; L238-I243 HydrophobicContact CB-CD1 4.44Å; L238-I243 HydrophobicContact CD1-CD1 4.48Å; L238-F251 HydrophobicContact CD1-CE1 4.28Å; L238-F251 HydrophobicContact CD1-CZ 4.37Å; L238-Q261 PolarHBondContact N-O 3.29Å; L238-L262 HydrophobicContact CB-CD2 3.61Å; L238-L262 HydrophobicContact CD1-CD2 4.15Å; L238-L262 HydrophobicContact CG-CD2 4.48Å; L238-M265 VanDerWaalsContact O-SD 3.36Å
239	S	98.8	Very high	97.4	Very high	7 Å²	7	38 Å²	38	5%	0.049	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	146.2	-176.6	-60.6	0	0	0	0	112.2	K217 N218 N241 Q261 R263	K217-S239 CarbonylContact C-O 3.14Å; K217-S239 VanDerWaalsContact CA-O 3.3Å; K217-S239 WeakPolarHBondContact CA-O 3.48Å; N218-S239 PolarHBondContact N-O 3.4Å; S239-N241 VanDerWaalsContact C-N 3.25Å; S239-N241 PolarHBondContact O-N 3.36Å; S239-Q261 PolarHBondContact N-O 2.98Å; S239-Q261 VanDerWaalsContact N-O 3.14Å; S239-Q261 VanDerWaalsContact OG-C 3.29Å; S239-Q261 PolarHBondContact OG-O 2.92Å; S239-R263 CarbonylContact C-O 3.55Å; S239-R263 WeakPolarHBondContact CA-O 3.41Å; S239-R263 VanDerWaalsContact CB-O 3.31Å; S239-R263 WeakPolarHBondContact CB-O 3.5Å; S239-R263 PolarHBondContact OG-N 3.32Å
240	G	98.7	Very high	97.7	Very high	21 Å²	21	37.1 Å²	37.1	22%	0.216	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	9.3	177.8	0	0	0	0	0	115.5	R263	G240-R263 PolarHBondContact N-O 3.19Å
241	N	98.8	Very high	97.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.011	20%	0.197	C	C	.	.			trans	-87.1	149.8	173.6	-78.7	-83.6	0	0	0	111.8	L216 N219 R220 L221 L238 S239 I243 M265	L216-N241 PolarHBondContact O-ND2 2.97Å; N219-N241 VanDerWaalsContact CA-OD1 3.24Å; N219-N241 WeakPolarHBondContact CA-OD1 3.49Å; N219-N241 WeakPolarHBondContact CB-OD1 3.23Å; N219-N241 PolarHBondContact N-OD1 2.87Å; N219-N241 PolarHBondContact O-OD1 2.61Å; R220-N241 PolarHBondContact N-OD1 2.82Å; L221-N241 HydrophobicContact CB-CB 4.2Å; L221-N241 WeakPolarHBondContact CB-OD1 3.16Å; L221-N241 WeakPolarHBondContact CG-OD1 3.17Å; L221-N241 PolarHBondContact N-OD1 2.82Å; L221-N241 VanDerWaalsContact N-OD1 3.08Å; L238-N241 WeakPolarHBondContact O-CB 3.1Å; L238-N241 PolarHBondContact O-N 3.4Å; L238-N241 PolarHBondContact O-ND2 2.99Å; S239-N241 VanDerWaalsContact C-N 3.25Å; S239-N241 PolarHBondContact O-N 3.36Å; N241-I243 HydrophobicContact CB-CD1 4.32Å; N241-I243 HydrophobicContact CB-CG1 3.96Å; N241-I243 PolarHBondContact O-N 2.91Å; N241-M265 HydrophobicContact CB-CE 4.07Å; N241-M265 WeakPolarHBondContact O-CE 2.96Å
242	P	98.4	Very high	97.9	Very high	41 Å²	41	40.2 Å²	40.2	27%	0.266	20%	0.202	S	C	.	.			trans	-77	36.6	176.5	34.8	-37.9	0	0	0	113.4	N219 L221 E222 V244 Q267	N219-P242 WeakPolarHBondContact O-CD 3.39Å; L221-P242 CarbonylContact O-C 3.22Å; L221-P242 VanDerWaalsContact O-CD 3.29Å; L221-P242 WeakPolarHBondContact O-CD 3.5Å; E222-P242 HydrophobicContact CG-CG 4.47Å; P242-V244 PolarHBondContact O-N 2.75Å; P242-Q267 HydrophobicContact CB-CG 3.94Å
243	I	98.5	Very high	97.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.204	C	C	.	.			trans	-64.1	124.6	179.2	-58.3	177.1	0	0	0	109.4	L221 E222 V224 L238 N241 R245 I246 M265 Q267 L268	L221-I243 WeakPolarHBondContact O-CG1 3.24Å; L221-I243 PolarHBondContact O-N 3.06Å; L221-I243 VanDerWaalsContact O-N 3.15Å; E222-I243 WeakPolarHBondContact O-CA 3.33Å; V224-I243 HydrophobicContact CG2-CD1 3.97Å; L238-I243 HydrophobicContact CB-CD1 4.44Å; L238-I243 HydrophobicContact CD1-CD1 4.48Å; N241-I243 HydrophobicContact CB-CD1 4.32Å; N241-I243 HydrophobicContact CB-CG1 3.96Å; N241-I243 PolarHBondContact O-N 2.91Å; I243-R245 VanDerWaalsContact CG2-O 3.24Å; I243-R245 WeakPolarHBondContact CG2-O 3.29Å; I243-I246 HydrophobicContact CG2-CD1 3.95Å; I243-M265 HydrophobicContact CB-CE 3.46Å; I243-M265 VanDerWaalsContact CB-CE 3.46Å; I243-M265 HydrophobicContact CD1-CE 3.65Å; I243-M265 HydrophobicContact CG1-CE 3.61Å; I243-Q267 CarbonylContact O-C 3.49Å; I243-L268 WeakPolarHBondContact O-CA 3.34Å; I243-L268 PolarHBondContact O-N 2.95Å; I243-L268 VanDerWaalsContact O-N 3.15Å
244	V	98.1	Very high	97.7	Very high	57 Å²	57	42.3 Å²	42.3	35%	0.345	20%	0.204	S	C	.	.			trans	-81.8	-37.3	-174.9	-179.4	0	0	0	0	111.9	E222 P242 Q267 L268 V269	E222-V244 PolarHBondContact O-N 2.88Å; P242-V244 PolarHBondContact O-N 2.75Å; V244-Q267 HydrophobicContact CG2-CB 4.44Å; V244-L268 CarbonylContact O-C 3.32Å; V244-L268 WeakPolarHBondContact O-CA 3.37Å; V244-V269 HydrophobicContact CG1-CG2 4.34Å; V244-V269 PolarHBondContact O-N 3.1Å
245	R	98.1	Very high	97.5	Very high	113 Å²	113	44 Å²	44	43%	0.426	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	147.4	179	70.1	-172.6	106.5	74.9	-0.3	110.3	I243 S270 E272	I243-R245 VanDerWaalsContact CG2-O 3.24Å; I243-R245 WeakPolarHBondContact CG2-O 3.29Å; R245-S270 VanDerWaalsContact CA-O 3.31Å; R245-S270 WeakPolarHBondContact CA-O 3.46Å; R245-E272 WeakPolarHBondContact CD-OE1 3.5Å
246	I	98.5	Very high	97.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	106.4	164.4	-48.6	-55.2	0	0	0	106.6	V224 I243 A250 F251 L262 L268 S270 I271 E272 A275 F276	V224-I246 HydrophobicContact CG2-CD1 3.82Å; V224-I246 HydrophobicContact CG2-CG2 4.43Å; I243-I246 HydrophobicContact CG2-CD1 3.95Å; I246-A250 HydrophobicContact CG2-CB 3.87Å; I246-F251 HydrophobicContact CG2-CE2 3.97Å; I246-L262 HydrophobicContact CD1-CD1 3.95Å; I246-L262 HydrophobicContact CG1-CD1 4.19Å; I246-L268 HydrophobicContact CD1-CD1 4.17Å; I246-L268 HydrophobicContact CG1-CD1 4Å; I246-S270 PolarHBondContact N-O 2.88Å; I246-S270 VanDerWaalsContact N-O 3.15Å; I246-I271 HydrophobicContact CB-CG1 4.36Å; I246-I271 HydrophobicContact CB-CG2 4.36Å; I246-I271 HydrophobicContact CG1-CG1 4.14Å; I246-E272 PolarHBondContact O-N 3.11Å; I246-A275 HydrophobicContact CB-CB 4.29Å; I246-A275 HydrophobicContact CG2-CB 3.79Å; I246-F276 HydrophobicContact CG2-CE1 4.41Å; I246-F276 HydrophobicContact CG2-CZ 4.26Å
247	S	97.7	Very high	97.2	Very high	39 Å²	39	40.1 Å²	40.1	27%	0.273	21%	0.205	S	C	.	.			trans	-78.1	164.5	-172.8	59	0	0	0	0	113.1	H249 A250 E272 A275	S247-H249 PolarHBondContact O-N 3.25Å; S247-A250 WeakPolarHBondContact O-CB 3.33Å; S247-A250 PolarHBondContact O-N 2.77Å; S247-E272 WeakPolarHBondContact CA-OE2 3.28Å; S247-A275 WeakPolarHBondContact O-CA 3.41Å
248	N	97.1	Very high	97.2	Very high	61 Å²	61	40.5 Å²	40.5	33%	0.326	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	133	171.6	-49.8	80.1	0	0	0	111	A250 E272 D273	N248-A250 PolarHBondContact O-N 2.95Å; N248-A250 VanDerWaalsContact O-N 3.16Å; N248-E272 PolarHBondContact N-OE2 3.12Å; N248-E272 PolarHBondContact OD1-OE2 2.92Å; N248-E272 VanDerWaalsContact OD1-OE2 3.08Å; N248-D273 WeakPolarHBondContact CA-O 3.32Å; N248-D273 PolarHBondContact ND2-O 2.8Å; N248-D273 PolarHBondContact ND2-OD1 3.25Å; N248-D273 PolarHBondContact ND2-OD2 3.29Å
249	H	96.3	Very high	97.1	Very high	101 Å²	101	42.2 Å²	42.2	47%	0.468	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	25.1	174.4	-54.6	-58.9	0	0	0	115.4	S247 F251 K252 C274	S247-H249 PolarHBondContact O-N 3.25Å; H249-F251 PolarHBondContact O-N 2.9Å; H249-K252 HydrophobicContact CB-CB 4.13Å; H249-K252 WeakPolarHBondContact O-CB 3.29Å; H249-K252 PolarHBondContact O-N 3.2Å; H249-K252 VanDerWaalsContact O-N 3.09Å; H249-C274 PolarHBondContact N-O 3.37Å
250	A	97.5	Very high	97.1	Very high	5 Å²	5	42 Å²	42	4%	0.041	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-32.8	-179.4	0	0	0	0	0	113.8	V224 I246 S247 N248	V224-A250 HydrophobicContact CB-CB 4.08Å; V224-A250 HydrophobicContact CG1-CB 4.17Å; V224-A250 HydrophobicContact CG2-CB 4.19Å; I246-A250 HydrophobicContact CG2-CB 3.87Å; S247-A250 WeakPolarHBondContact O-CB 3.33Å; S247-A250 PolarHBondContact O-N 2.77Å; N248-A250 PolarHBondContact O-N 2.95Å; N248-A250 VanDerWaalsContact O-N 3.16Å
251	F	96.7	Very high	97.1	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	20.2	-177.5	-58.7	-79.6	0	0	0	114	V224 L227 I236 L238 I246 H249 W253 V254 L257 I260 F276 L279	V224-F251 HydrophobicContact CG1-CD1 4.44Å; V224-F251 HydrophobicContact CG1-CE1 3.89Å; V224-F251 HydrophobicContact CG1-CZ 4Å; V224-F251 HydrophobicContact CG2-CZ 4.28Å; L227-F251 HydrophobicContact CD1-CD1 3.89Å; L227-F251 HydrophobicContact CD1-CE1 4.33Å; I236-F251 HydrophobicContact CD1-CE1 4.35Å; I236-F251 HydrophobicContact CG2-CE1 4.28Å; L238-F251 HydrophobicContact CD1-CE1 4.28Å; L238-F251 HydrophobicContact CD1-CZ 4.37Å; I246-F251 HydrophobicContact CG2-CE2 3.97Å; H249-F251 PolarHBondContact O-N 2.9Å; F251-W253 PolarHBondContact O-N 3Å; F251-V254 HydrophobicContact CB-CG2 3.96Å; F251-V254 HydrophobicContact CD1-CG2 4.28Å; F251-V254 VanDerWaalsContact O-CG2 3.3Å; F251-V254 WeakPolarHBondContact O-CG2 3.39Å; F251-V254 PolarHBondContact O-N 2.73Å; F251-V254 VanDerWaalsContact O-N 3.08Å; F251-L257 HydrophobicContact CB-CD1 4.14Å; F251-L257 HydrophobicContact CD1-CD1 3.49Å; F251-L257 VanDerWaalsContact CD1-CD1 3.49Å; F251-L257 HydrophobicContact CE1-CD1 4.21Å; F251-L257 HydrophobicContact CG-CD1 4.03Å; F251-I260 HydrophobicContact CZ-CG2 4.36Å; F251-F276 AromaticContact CD2-CD1 3.71Å; F251-F276 HydrophobicContact CD2-CD1 3.71Å; F251-F276 AromaticContact CD2-CE1 3.95Å; F251-F276 HydrophobicContact CD2-CE1 3.95Å; F251-F276 AromaticContact CE2-CD1 3.73Å; F251-F276 HydrophobicContact CE2-CD1 3.73Å; F251-F276 AromaticContact CE2-CE1 3.44Å; F251-F276 HydrophobicContact CE2-CE1 3.44Å; F251-F276 VanDerWaalsContact CE2-CE1 3.44Å; F251-F276 HydrophobicContact CE2-CZ 4.5Å; F251-F276 HydrophobicContact CZ-CE1 4.33Å; F251-L279 HydrophobicContact CB-CD1 4.14Å; F251-L279 HydrophobicContact CB-CD2 4.1Å; F251-L279 HydrophobicContact CD2-CD1 4.44Å; F251-L279 HydrophobicContact CG-CD1 4.4Å
252	K	94.9	Very high	97.1	Very high	134 Å²	134	42.9 Å²	42.9	58%	0.583	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-33.6	-173.9	174.5	178	175.2	-178.5	0	115	H249 V254	H249-K252 HydrophobicContact CB-CB 4.13Å; H249-K252 WeakPolarHBondContact O-CB 3.29Å; H249-K252 PolarHBondContact O-N 3.2Å; H249-K252 VanDerWaalsContact O-N 3.09Å; K252-V254 VanDerWaalsContact C-N 3.33Å
253	W	94.9	Very high	97.1	Very high	116 Å²	116	44.8 Å²	44.8	44%	0.439	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.8	-175	-62.6	111.6	0	0	0	114.3	L227 K228 F251 P255	L227-W253 WeakPolarHBondContact O-CB 3.5Å; K228-W253 HydrophobicContact CB-CD2 4.45Å; K228-W253 HydrophobicContact CB-CG 4.35Å; K228-W253 HydrophobicContact CG-CD2 4.37Å; F251-W253 PolarHBondContact O-N 3Å; W253-P255 VanDerWaalsContact C-CD 3.46Å; W253-P255 WeakPolarHBondContact O-CD 3.48Å
254	V	96.4	Very high	97.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.233	C	C	.	.			trans	-129	63.1	-171.1	-66.8	0	0	0	0	110.8	L227 M230 L233 F251 K252 I256 L257 L279	L227-V254 HydrophobicContact CB-CG1 3.71Å; L227-V254 HydrophobicContact CB-CG2 4.31Å; L227-V254 HydrophobicContact CD1-CG1 4.23Å; L227-V254 HydrophobicContact CD1-CG2 3.63Å; M230-V254 HydrophobicContact CB-CG1 4.32Å; M230-V254 WeakPolarHBondContact O-CG1 3.47Å; L233-V254 HydrophobicContact CB-CB 4.39Å; L233-V254 HydrophobicContact CB-CG1 3.93Å; L233-V254 HydrophobicContact CD2-CG1 3.99Å; F251-V254 HydrophobicContact CB-CG2 3.96Å; F251-V254 HydrophobicContact CD1-CG2 4.28Å; F251-V254 VanDerWaalsContact O-CG2 3.3Å; F251-V254 WeakPolarHBondContact O-CG2 3.39Å; F251-V254 PolarHBondContact O-N 2.73Å; F251-V254 VanDerWaalsContact O-N 3.08Å; K252-V254 VanDerWaalsContact C-N 3.33Å; V254-I256 PolarHBondContact O-N 3.01Å; V254-I256 VanDerWaalsContact O-N 3.1Å; V254-L257 HydrophobicContact CB-CD1 4.19Å; V254-L257 HydrophobicContact CB-CG 3.94Å; V254-L257 HydrophobicContact CG2-CD1 3.36Å; V254-L257 HydrophobicContact CG2-CG 3.69Å; V254-L257 WeakPolarHBondContact O-CG 3.19Å; V254-L257 PolarHBondContact O-N 2.74Å; V254-L279 WeakPolarHBondContact O-CD2 3.14Å
255	P	93	Very high	97.2	Very high	66 Å²	66	46.4 Å²	46.4	43%	0.429	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.4	-170.8	29.5	-37	0	0	0	114.3	W253	W253-P255 VanDerWaalsContact C-CD 3.46Å; W253-P255 WeakPolarHBondContact O-CD 3.48Å
256	I	94.9	Very high	97.1	Very high	44 Å²	44	46.2 Å²	46.2	23%	0.226	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	8.4	-179.9	73.7	166.5	0	0	0	113.3	S231 L233 V254 E258	S231-I256 WeakPolarHBondContact O-CD1 3.44Å; L233-I256 WeakPolarHBondContact O-CG1 3.5Å; V254-I256 PolarHBondContact O-N 3.01Å; V254-I256 VanDerWaalsContact O-N 3.1Å; I256-E258 WeakPolarHBondContact O-CG 3.29Å; I256-E258 PolarHBondContact O-N 3.38Å
257	L	97.1	Very high	97.1	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.			trans	-54.8	126	177.6	-83.6	178.6	0	0	0	111.3	L233 I236 F251 V254 I260 L279 L282	L233-L257 HydrophobicContact CD2-CD2 4.1Å; L233-L257 HydrophobicContact CG-CD2 3.99Å; L233-L257 WeakPolarHBondContact O-CD2 3.41Å; I236-L257 HydrophobicContact CB-CD2 4.17Å; I236-L257 HydrophobicContact CG2-CD1 3.99Å; I236-L257 HydrophobicContact CG2-CD2 3.88Å; F251-L257 HydrophobicContact CB-CD1 4.14Å; F251-L257 HydrophobicContact CD1-CD1 3.49Å; F251-L257 VanDerWaalsContact CD1-CD1 3.49Å; F251-L257 HydrophobicContact CE1-CD1 4.21Å; F251-L257 HydrophobicContact CG-CD1 4.03Å; V254-L257 HydrophobicContact CB-CD1 4.19Å; V254-L257 HydrophobicContact CB-CG 3.94Å; V254-L257 HydrophobicContact CG2-CD1 3.36Å; V254-L257 HydrophobicContact CG2-CG 3.69Å; V254-L257 WeakPolarHBondContact O-CG 3.19Å; V254-L257 PolarHBondContact O-N 2.74Å; L257-I260 HydrophobicContact CB-CD1 4.46Å; L257-I260 HydrophobicContact CB-CG1 4.48Å; L257-I260 HydrophobicContact CD1-CD1 3.99Å; L257-I260 HydrophobicContact CD1-CG1 4.17Å; L257-L279 HydrophobicContact CB-CD2 4.16Å; L257-L282 PolarHBondContact O-N 3.42Å
258	E	97.3	Very high	97.2	Very high	40 Å²	40	48.1 Å²	48.1	19%	0.187	22%	0.224	C	C	.	.			trans	-104.2	-37.8	179	-58.8	-168.1	144.1	0	0	111.1	N234 I256 Q281 Q283 S284	N234-E258 HydrophobicContact CB-CG 4.11Å; N234-E258 PolarHBondContact O-N 3.04Å; I256-E258 WeakPolarHBondContact O-CG 3.29Å; I256-E258 PolarHBondContact O-N 3.38Å; E258-Q281 HydrophobicContact CG-CB 4.35Å; E258-Q283 HydrophobicContact CB-CB 4.31Å; E258-Q283 HydrophobicContact CB-CG 3.98Å; E258-Q283 HydrophobicContact CG-CG 4.4Å; E258-Q283 WeakPolarHBondContact O-CA 3.42Å; E258-Q283 PolarHBondContact O-N 3.12Å; E258-Q283 PolarHBondContact OE1-NE2 3.2Å; E258-Q283 PolarHBondContact OE2-NE2 3.14Å; E258-S284 PolarHBondContact O-N 2.93Å
259	N	98.4	Very high	97.2	Very high	38 Å²	38	48.3 Å²	48.3	20%	0.203	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	116.9	-171.9	-65.7	-79.7	0	0	0	111.5	N234 R235 I236 S284	N234-N259 PolarHBondContact O-N 3.37Å; R235-N259 WeakPolarHBondContact CA-O 3.43Å; R235-N259 HydrophobicContact CG-CB 3.85Å; I236-N259 PolarHBondContact N-O 2.05Å; N259-S284 WeakPolarHBondContact CA-O 3.07Å; N259-S284 WeakPolarHBondContact OD1-CB 3.35Å
260	I	98.6	Very high	97.3	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.5	-180	-58.4	179.6	0	0	0	109.2	I236 F251 L257 L262 F276 L279 L282 S284 L285 V286	I236-I260 HydrophobicContact CG2-CB 4.31Å; I236-I260 HydrophobicContact CG2-CG1 3.93Å; I236-I260 HydrophobicContact CG2-CG2 4.23Å; F251-I260 HydrophobicContact CZ-CG2 4.36Å; L257-I260 HydrophobicContact CB-CD1 4.46Å; L257-I260 HydrophobicContact CB-CG1 4.48Å; L257-I260 HydrophobicContact CD1-CD1 3.99Å; L257-I260 HydrophobicContact CD1-CG1 4.17Å; I260-L262 HydrophobicContact CG2-CD1 4.09Å; I260-L262 HydrophobicContact CG2-CD2 4.47Å; I260-L262 HydrophobicContact CG2-CG 3.91Å; I260-F276 HydrophobicContact CD1-CD1 4.15Å; I260-F276 HydrophobicContact CD1-CE1 4.2Å; I260-L279 HydrophobicContact CD1-CD1 3.55Å; I260-L282 HydrophobicContact CD1-CD1 4.08Å; I260-L282 HydrophobicContact CG1-CD1 4.24Å; I260-S284 PolarHBondContact N-O 2.82Å; I260-L285 HydrophobicContact CB-CD1 3.71Å; I260-L285 HydrophobicContact CD1-CD1 4.5Å; I260-L285 HydrophobicContact CG2-CD1 3.74Å; I260-V286 PolarHBondContact O-N 2.8Å
261	Q	98.7	Very high	97.4	Very high	41 Å²	41	44.6 Å²	44.6	19%	0.192	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	106.7	178.9	-59.9	-63.8	-51.4	0	0	111.9	I236 V237 L238 S239	I236-Q261 PolarHBondContact O-N 2.74Å; V237-Q261 HydrophobicContact CB-CB 4.36Å; V237-Q261 HydrophobicContact CG1-CB 4.05Å; V237-Q261 HydrophobicContact CG2-CB 4.19Å; V237-Q261 HydrophobicContact CG2-CG 4.23Å; L238-Q261 PolarHBondContact N-O 3.29Å; S239-Q261 PolarHBondContact N-O 2.98Å; S239-Q261 VanDerWaalsContact N-O 3.14Å; S239-Q261 VanDerWaalsContact OG-C 3.29Å; S239-Q261 PolarHBondContact OG-O 2.92Å
262	L	98.7	Very high	97.4	Very high	1 Å²	1	47 Å²	47	1%	0.005	22%	0.224	C	C	.	.			trans	-120.7	55.8	178	-57.2	176.5	0	0	0	110.7	L238 I246 I260 M265 F276 V286 V287 S288	L238-L262 HydrophobicContact CB-CD2 3.61Å; L238-L262 HydrophobicContact CD1-CD2 4.15Å; L238-L262 HydrophobicContact CG-CD2 4.48Å; I246-L262 HydrophobicContact CD1-CD1 3.95Å; I246-L262 HydrophobicContact CG1-CD1 4.19Å; I260-L262 HydrophobicContact CG2-CD1 4.09Å; I260-L262 HydrophobicContact CG2-CD2 4.47Å; I260-L262 HydrophobicContact CG2-CG 3.91Å; L262-M265 HydrophobicContact CB-CG 4.13Å; L262-M265 WeakPolarHBondContact O-CG 3.47Å; L262-F276 HydrophobicContact CD1-CZ 4.32Å; L262-V286 CarbonylContact C-O 3.44Å; L262-V286 WeakPolarHBondContact CA-O 3.4Å; L262-V286 WeakPolarHBondContact CB-O 3.32Å; L262-V286 PolarHBondContact N-O 3.32Å; L262-V287 HydrophobicContact CB-CB 4.47Å; L262-V287 HydrophobicContact CB-CG1 4.32Å; L262-V287 HydrophobicContact CB-CG2 4.21Å; L262-V287 HydrophobicContact CD1-CG2 3.99Å; L262-V287 WeakPolarHBondContact O-CA 3.36Å; L262-S288 PolarHBondContact O-N 2.99Å
263	R	98.7	Very high	97.5	Very high	81 Å²	81	44.3 Å²	44.3	31%	0.306	22%	0.216	S	C	.	.			trans	-83.4	152.9	176.1	-57.3	177.8	176.4	-105.4	-5.6	111	S239 G240 M265 V286 S288	S239-R263 CarbonylContact C-O 3.55Å; S239-R263 WeakPolarHBondContact CA-O 3.41Å; S239-R263 VanDerWaalsContact CB-O 3.31Å; S239-R263 WeakPolarHBondContact CB-O 3.5Å; S239-R263 PolarHBondContact OG-N 3.32Å; G240-R263 PolarHBondContact N-O 3.19Å; R263-M265 VanDerWaalsContact C-N 3.31Å; R263-M265 PolarHBondContact O-N 3.2Å; R263-V286 HydrophobicContact CG-CG1 3.61Å; R263-S288 CarbonylContact C-O 3.52Å; R263-S288 WeakPolarHBondContact CA-O 3.32Å
264	H	98.5	Very high	97.6	Very high	91 Å²	91	40.2 Å²	40.2	42%	0.421	21%	0.205	S	C	.	.	S	Bend	trans	57.2	39.4	171.7	-55.7	-60.5	0	0	0	113.8	H266 S288 D289	H264-H266 PolarHBondContact O-CD2 3.16Å; H264-H266 PolarHBondContact O-N 3.41Å; H264-H266 VanDerWaalsContact O-N 3.13Å; H264-S288 PolarHBondContact N-O 2.94Å; H264-D289 WeakPolarHBondContact CA-O 3.35Å; H264-D289 VanDerWaalsContact CE1-CG 3.48Å; H264-D289 IonicContact CE1-OD1 3.85Å; H264-D289 IonicContact CE1-OD2 3.8Å; H264-D289 WeakPolarHBondContact ND1-CB 3.19Å
265	M	98.4	Very high	97.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.			trans	-87.3	77.4	-179.8	-50.8	-65.6	-69.3	0	0	110.4	L238 N241 I243 L262 R263 Q267 L268 S290	L238-M265 VanDerWaalsContact O-SD 3.36Å; N241-M265 HydrophobicContact CB-CE 4.07Å; N241-M265 WeakPolarHBondContact O-CE 2.96Å; I243-M265 HydrophobicContact CB-CE 3.46Å; I243-M265 VanDerWaalsContact CB-CE 3.46Å; I243-M265 HydrophobicContact CD1-CE 3.65Å; I243-M265 HydrophobicContact CG1-CE 3.61Å; L262-M265 HydrophobicContact CB-CG 4.13Å; L262-M265 WeakPolarHBondContact O-CG 3.47Å; R263-M265 VanDerWaalsContact C-N 3.31Å; R263-M265 PolarHBondContact O-N 3.2Å; M265-Q267 PolarHBondContact O-N 2.82Å; M265-L268 HydrophobicContact CB-CB 3.6Å; M265-L268 HydrophobicContact CB-CD2 4.1Å; M265-L268 HydrophobicContact CB-CG 4.48Å; M265-L268 HydrophobicContact CG-CD2 4.4Å; M265-L268 WeakPolarHBondContact O-CB 3.45Å; M265-L268 PolarHBondContact O-N 3.16Å; M265-S290 WeakPolarHBondContact CB-OG 3.37Å; M265-S290 PolarHBondContact N-OG 3.27Å; M265-S290 WeakPolarHBondContact O-CB 3.21Å
266	H	97.7	Very high	97.8	Very high	110 Å²	110	37.1 Å²	37.1	51%	0.509	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.1	-171.4	-65.9	-66.9	0	0	0	115.7	H264 K292	H264-H266 PolarHBondContact O-CD2 3.16Å; H264-H266 PolarHBondContact O-N 3.41Å; H264-H266 VanDerWaalsContact O-N 3.13Å; H266-K292 WeakPolarHBondContact O-CD 3.43Å
267	Q	98	Very high	97.8	Very high	78 Å²	78	36.4 Å²	36.4	36%	0.364	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-7.4	178	-57.9	-55.6	-31.7	0	0	113.8	P242 I243 V244 M265 V269	P242-Q267 HydrophobicContact CB-CG 3.94Å; I243-Q267 CarbonylContact O-C 3.49Å; V244-Q267 HydrophobicContact CG2-CB 4.44Å; M265-Q267 PolarHBondContact O-N 2.82Å; Q267-V269 WeakPolarHBondContact O-CG2 3.23Å; Q267-V269 PolarHBondContact O-N 3.31Å
268	L	98.7	Very high	97.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.			trans	-68.5	117.7	-174.6	-179.5	64.7	0	0	0	110.4	I243 V244 I246 M265 V287 K292 L293	I243-L268 WeakPolarHBondContact O-CA 3.34Å; I243-L268 PolarHBondContact O-N 2.95Å; I243-L268 VanDerWaalsContact O-N 3.15Å; V244-L268 CarbonylContact O-C 3.32Å; V244-L268 WeakPolarHBondContact O-CA 3.37Å; I246-L268 HydrophobicContact CD1-CD1 4.17Å; I246-L268 HydrophobicContact CG1-CD1 4Å; M265-L268 HydrophobicContact CB-CB 3.6Å; M265-L268 HydrophobicContact CB-CD2 4.1Å; M265-L268 HydrophobicContact CB-CG 4.48Å; M265-L268 HydrophobicContact CG-CD2 4.4Å; M265-L268 WeakPolarHBondContact O-CB 3.45Å; M265-L268 PolarHBondContact O-N 3.16Å; L268-V287 HydrophobicContact CD2-CG1 3.69Å; L268-K292 CarbonylContact O-C 3.44Å; L268-K292 WeakPolarHBondContact O-CB 3.15Å; L268-L293 HydrophobicContact CD2-CD1 4.46Å; L268-L293 HydrophobicContact CD2-CD2 4.19Å; L268-L293 HydrophobicContact CG-CD1 4.26Å; L268-L293 VanDerWaalsContact O-CA 3.27Å; L268-L293 WeakPolarHBondContact O-CA 3.2Å; L268-L293 PolarHBondContact O-N 2.97Å
269	V	98.2	Very high	97.4	Very high	65 Å²	65	35.9 Å²	35.9	39%	0.394	19%	0.189	S	C	.	.			trans	-101.9	-40.5	-176.8	-176.4	0	0	0	0	111.7	V244 Q267 K292 K294	V244-V269 HydrophobicContact CG1-CG2 4.34Å; V244-V269 PolarHBondContact O-N 3.1Å; Q267-V269 WeakPolarHBondContact O-CG2 3.23Å; Q267-V269 PolarHBondContact O-N 3.31Å; V269-K292 HydrophobicContact CG2-CB 4.46Å; V269-K294 PolarHBondContact O-N 3.46Å; V269-K294 VanDerWaalsContact O-N 3.13Å
270	S	98.2	Very high	97	Very high	28 Å²	28	37.3 Å²	37.3	20%	0.196	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	154.7	-172.8	57.3	0	0	0	0	113.4	R245 I246 W295	R245-S270 VanDerWaalsContact CA-O 3.31Å; R245-S270 WeakPolarHBondContact CA-O 3.46Å; I246-S270 PolarHBondContact N-O 2.88Å; I246-S270 VanDerWaalsContact N-O 3.15Å; S270-W295 WeakPolarHBondContact CA-O 3.24Å
271	I	98.6	Very high	96.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119	165.6	-59.5	-178.1	0	0	0	106.8	I246 A275 F276 V287 L293 W295 I296 D297 A300	I246-I271 HydrophobicContact CB-CG1 4.36Å; I246-I271 HydrophobicContact CB-CG2 4.36Å; I246-I271 HydrophobicContact CG1-CG1 4.14Å; I271-A275 HydrophobicContact CG2-CB 3.59Å; I271-F276 HydrophobicContact CD1-CE2 4.05Å; I271-F276 HydrophobicContact CD1-CZ 4.4Å; I271-F276 HydrophobicContact CG2-CD2 4.17Å; I271-F276 HydrophobicContact CG2-CE2 3.61Å; I271-F276 HydrophobicContact CG2-CZ 4.47Å; I271-V287 HydrophobicContact CD1-CG1 4.31Å; I271-V287 HydrophobicContact CD1-CG2 4.28Å; I271-L293 HydrophobicContact CG1-CD1 4.17Å; I271-W295 PolarHBondContact N-O 3Å; I271-I296 HydrophobicContact CB-CG1 4.37Å; I271-I296 HydrophobicContact CB-CG2 4.23Å; I271-I296 HydrophobicContact CD1-CD1 4.23Å; I271-I296 HydrophobicContact CD1-CG1 4.02Å; I271-I296 HydrophobicContact CG1-CG1 4.37Å; I271-I296 HydrophobicContact CG2-CG2 4.35Å; I271-D297 WeakPolarHBondContact O-CB 3.39Å; I271-D297 PolarHBondContact O-N 2.92Å; I271-A300 HydrophobicContact CG2-CB 3.86Å
272	E	97.9	Very high	96.5	Very high	53 Å²	53	38.4 Å²	38.4	25%	0.248	20%	0.199	C	C	.	.			trans	-80.1	169	-174.9	-66.4	178.8	167.2	0	0	112.2	R245 I246 S247 N248 A275	R245-E272 WeakPolarHBondContact CD-OE1 3.5Å; I246-E272 PolarHBondContact O-N 3.11Å; S247-E272 WeakPolarHBondContact CA-OE2 3.28Å; N248-E272 PolarHBondContact N-OE2 3.12Å; N248-E272 PolarHBondContact OD1-OE2 2.92Å; N248-E272 VanDerWaalsContact OD1-OE2 3.08Å; E272-A275 VanDerWaalsContact O-CB 3.23Å; E272-A275 WeakPolarHBondContact O-CB 3.2Å; E272-A275 PolarHBondContact O-N 3.08Å
273	D	96.6	Very high	96.4	Very high	77 Å²	77	41.7 Å²	41.7	41%	0.412	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	142.9	174.1	64.2	-63.1	0	0	0	110.5	N248 A275 D297	N248-D273 WeakPolarHBondContact CA-O 3.32Å; N248-D273 PolarHBondContact ND2-O 2.8Å; N248-D273 PolarHBondContact ND2-OD1 3.25Å; N248-D273 PolarHBondContact ND2-OD2 3.29Å; D273-A275 PolarHBondContact O-N 3.11Å; D273-D297 HydrophobicContact CB-CB 4.32Å
274	C	96.5	Very high	96.3	Very high	30 Å²	30	38.4 Å²	38.4	20%	0.203	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	19.8	-176.6	-102.6	0	0	0	0	116.9	H249 F276 C277 F299 A300	H249-C274 PolarHBondContact N-O 3.37Å; C274-F276 PolarHBondContact O-N 3.44Å; C274-C277 WeakPolarHBondContact CA-SG 3.41Å; C274-C277 HydrophobicContact CB-CB 3.77Å; C274-C277 WeakPolarHBondContact CB-SG 3.38Å; C274-C277 PolarHBondContact O-N 3.19Å; C274-C277 WeakPolarHBondContact SG-CB 3.36Å; C274-C277 CovalentContact SG-SG 2.05Å; C274-C277 PolarHBondContact SG-SG 3.33Å; C274-F299 PolarHBondContact N-O 3.16Å; C274-A300 CarbonylContact C-O 3.53Å; C274-A300 WeakPolarHBondContact CA-O 3.33Å
275	A	97.9	Very high	96.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-38.5	174.2	0	0	0	0	0	113.4	I246 S247 I271 E272 D273 A300	I246-A275 HydrophobicContact CB-CB 4.29Å; I246-A275 HydrophobicContact CG2-CB 3.79Å; S247-A275 WeakPolarHBondContact O-CA 3.41Å; I271-A275 HydrophobicContact CG2-CB 3.59Å; E272-A275 VanDerWaalsContact O-CB 3.23Å; E272-A275 WeakPolarHBondContact O-CB 3.2Å; E272-A275 PolarHBondContact O-N 3.08Å; D273-A275 PolarHBondContact O-N 3.11Å; A275-A300 PolarHBondContact N-O 2.98Å; A275-A300 VanDerWaalsContact N-O 3.11Å
276	F	96.7	Very high	96.3	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.009	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	22.1	-178.4	-57.2	-69.8	0	0	0	112.6	I246 F251 I260 L262 I271 C274 G278 L279 L285 A300 F301	I246-F276 HydrophobicContact CG2-CE1 4.41Å; I246-F276 HydrophobicContact CG2-CZ 4.26Å; F251-F276 AromaticContact CD2-CD1 3.71Å; F251-F276 HydrophobicContact CD2-CD1 3.71Å; F251-F276 AromaticContact CD2-CE1 3.95Å; F251-F276 HydrophobicContact CD2-CE1 3.95Å; F251-F276 AromaticContact CE2-CD1 3.73Å; F251-F276 HydrophobicContact CE2-CD1 3.73Å; F251-F276 AromaticContact CE2-CE1 3.44Å; F251-F276 HydrophobicContact CE2-CE1 3.44Å; F251-F276 VanDerWaalsContact CE2-CE1 3.44Å; F251-F276 HydrophobicContact CE2-CZ 4.5Å; F251-F276 HydrophobicContact CZ-CE1 4.33Å; I260-F276 HydrophobicContact CD1-CD1 4.15Å; I260-F276 HydrophobicContact CD1-CE1 4.2Å; L262-F276 HydrophobicContact CD1-CZ 4.32Å; I271-F276 HydrophobicContact CD1-CE2 4.05Å; I271-F276 HydrophobicContact CD1-CZ 4.4Å; I271-F276 HydrophobicContact CG2-CD2 4.17Å; I271-F276 HydrophobicContact CG2-CE2 3.61Å; I271-F276 HydrophobicContact CG2-CZ 4.47Å; C274-F276 PolarHBondContact O-N 3.44Å; F276-G278 PolarHBondContact O-N 2.88Å; F276-L279 HydrophobicContact CB-CD1 3.99Å; F276-L279 HydrophobicContact CD1-CD1 3.92Å; F276-L279 HydrophobicContact CG-CD1 4.45Å; F276-L279 WeakPolarHBondContact O-CG 3.47Å; F276-L279 PolarHBondContact O-N 3.48Å; F276-L285 HydrophobicContact CE1-CD1 4.1Å; F276-L285 HydrophobicContact CE2-CD2 4.17Å; F276-L285 HydrophobicContact CZ-CD1 4.09Å; F276-L285 HydrophobicContact CZ-CD2 4.21Å; F276-A300 WeakPolarHBondContact CA-O 3.3Å; F276-A300 HydrophobicContact CD2-CB 4.39Å; F276-A300 PolarHBondContact N-O 3.26Å; F276-F301 HydrophobicContact CB-CD1 3.48Å; F276-F301 VanDerWaalsContact CB-CD1 3.48Å; F276-F301 HydrophobicContact CB-CE1 3.53Å; F276-F301 HydrophobicContact CB-CG 4.17Å; F276-F301 HydrophobicContact CB-CZ 4.27Å; F276-F301 HydrophobicContact CD2-CD1 4.44Å; F276-F301 AromaticContact CD2-CE1 3.93Å; F276-F301 HydrophobicContact CD2-CE1 3.93Å; F276-F301 HydrophobicContact CD2-CE2 4.17Å; F276-F301 AromaticContact CD2-CZ 3.8Å; F276-F301 HydrophobicContact CD2-CZ 3.8Å; F276-F301 HydrophobicContact CE2-CZ 4.43Å; F276-F301 HydrophobicContact CG-CD1 4.27Å; F276-F301 AromaticContact CG-CE1 3.86Å; F276-F301 HydrophobicContact CG-CE1 3.86Å; F276-F301 HydrophobicContact CG-CZ 4.2Å
277	C	94.4	Very high	96.4	Very high	28 Å²	28	28.9 Å²	28.9	19%	0.189	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	133.7	179.2	-90.8	0	0	0	0	111.8	C274 G302	C274-C277 WeakPolarHBondContact CA-SG 3.41Å; C274-C277 HydrophobicContact CB-CB 3.77Å; C274-C277 WeakPolarHBondContact CB-SG 3.38Å; C274-C277 PolarHBondContact O-N 3.19Å; C274-C277 WeakPolarHBondContact SG-CB 3.36Å; C274-C277 CovalentContact SG-SG 2.05Å; C274-C277 PolarHBondContact SG-SG 3.33Å; C277-G302 WeakPolarHBondContact SG-CA 3.07Å; C277-G302 PolarHBondContact SG-N 2.84Å; C277-G302 VanDerWaalsContact SG-N 3.37Å
278	G	91.2	Very high	96.4	Very high	29 Å²	29	25.1 Å²	25.1	30%	0.299	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	-3.2	176.7	0	0	0	0	0	115.7	F276 H280	F276-G278 PolarHBondContact O-N 2.88Å; G278-H280 PolarHBondContact O-N 2.91Å
279	L	94.2	Very high	96.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.151	C	C	.	.			trans	-80.5	60.1	-178.8	-58.3	-170	0	0	0	112.7	F251 V254 L257 I260 F276 Q281 L282 F307	F251-L279 HydrophobicContact CB-CD1 4.14Å; F251-L279 HydrophobicContact CB-CD2 4.1Å; F251-L279 HydrophobicContact CD2-CD1 4.44Å; F251-L279 HydrophobicContact CG-CD1 4.4Å; V254-L279 WeakPolarHBondContact O-CD2 3.14Å; L257-L279 HydrophobicContact CB-CD2 4.16Å; I260-L279 HydrophobicContact CD1-CD1 3.55Å; F276-L279 HydrophobicContact CB-CD1 3.99Å; F276-L279 HydrophobicContact CD1-CD1 3.92Å; F276-L279 HydrophobicContact CG-CD1 4.45Å; F276-L279 WeakPolarHBondContact O-CG 3.47Å; F276-L279 PolarHBondContact O-N 3.48Å; L279-Q281 PolarHBondContact O-N 3.19Å; L279-L282 WeakPolarHBondContact O-CB 3.39Å; L279-L282 PolarHBondContact O-N 3.34Å; L279-F307 VanDerWaalsContact O-CE1 3.29Å; L279-F307 WeakPolarHBondContact O-CE1 3.31Å
280	H	90.8	Very high	96.4	Very high	67 Å²	67	23.7 Å²	23.7	31%	0.31	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.9	-173.9	-51.6	144.6	0	0	0	114.1	G278 Y306	G278-H280 PolarHBondContact O-N 2.91Å; H280-Y306 VanDerWaalsContact NE2-CB 3.34Å; H280-Y306 WeakPolarHBondContact NE2-CB 3.38Å; H280-Y306 AromaticContact NE2-CG 3.97Å
281	Q	92.5	Very high	96.4	Very high	64 Å²	64	25.7 Å²	25.7	30%	0.299	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	4.5	177.9	-56.8	-163.9	12.6	0	0	113.4	E258 L279 Q283	E258-Q281 HydrophobicContact CG-CB 4.35Å; L279-Q281 PolarHBondContact O-N 3.19Å; Q281-Q283 PolarHBondContact O-N 3.01Å
282	L	94.9	Very high	96.4	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.163	C	C	.	.			trans	-56	124.5	-175.5	-168.7	72.6	0	0	0	112	L257 I260 L279 L285 F301 F307 I314	L257-L282 PolarHBondContact O-N 3.42Å; I260-L282 HydrophobicContact CD1-CD1 4.08Å; I260-L282 HydrophobicContact CG1-CD1 4.24Å; L279-L282 WeakPolarHBondContact O-CB 3.39Å; L279-L282 PolarHBondContact O-N 3.34Å; L282-L285 HydrophobicContact CD1-CB 4.33Å; L282-L285 HydrophobicContact CD2-CB 4.04Å; L282-F301 HydrophobicContact CD2-CE1 3.71Å; L282-F301 HydrophobicContact CD2-CZ 4.41Å; L282-F307 HydrophobicContact CB-CE1 4.37Å; L282-I314 HydrophobicContact CD2-CD1 4.5Å
283	Q	95.9	Very high	96.4	Very high	70 Å²	70	27.5 Å²	27.5	33%	0.327	15%	0.151	S	C	.	.			trans	-107.8	-37.7	175.4	-62.4	-178.2	10.4	0	0	112.1	E258 Q281 P312 L313	E258-Q283 HydrophobicContact CB-CB 4.31Å; E258-Q283 HydrophobicContact CB-CG 3.98Å; E258-Q283 HydrophobicContact CG-CG 4.4Å; E258-Q283 WeakPolarHBondContact O-CA 3.42Å; E258-Q283 PolarHBondContact O-N 3.12Å; E258-Q283 PolarHBondContact OE1-NE2 3.2Å; E258-Q283 PolarHBondContact OE2-NE2 3.14Å; Q281-Q283 PolarHBondContact O-N 3.01Å; Q283-P312 HydrophobicContact CB-CG 4.34Å; Q283-P312 WeakPolarHBondContact O-CD 3.19Å; Q283-P312 VanDerWaalsContact O-N 3.16Å; Q283-L313 PolarHBondContact O-N 3.25Å; Q283-L313 VanDerWaalsContact O-N 3.09Å
284	S	97.7	Very high	96.4	Very high	12 Å²	12	30.2 Å²	30.2	8%	0.084	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	120.8	-177.8	-170.6	0	0	0	0	110.8	E258 N259 I260 L313	E258-S284 PolarHBondContact O-N 2.93Å; N259-S284 WeakPolarHBondContact CA-O 3.07Å; N259-S284 WeakPolarHBondContact OD1-CB 3.35Å; I260-S284 PolarHBondContact N-O 2.82Å; S284-L313 WeakPolarHBondContact CA-O 3.18Å
285	L	98.2	Very high	96.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.4	165.9	174.3	66.2	0	0	0	109.4	I260 F276 L282 V287 F301 L313 I314 D315 F316	I260-L285 HydrophobicContact CB-CD1 3.71Å; I260-L285 HydrophobicContact CD1-CD1 4.5Å; I260-L285 HydrophobicContact CG2-CD1 3.74Å; F276-L285 HydrophobicContact CE1-CD1 4.1Å; F276-L285 HydrophobicContact CE2-CD2 4.17Å; F276-L285 HydrophobicContact CZ-CD1 4.09Å; F276-L285 HydrophobicContact CZ-CD2 4.21Å; L282-L285 HydrophobicContact CD1-CB 4.33Å; L282-L285 HydrophobicContact CD2-CB 4.04Å; L285-V287 HydrophobicContact CD1-CG2 3.83Å; L285-V287 HydrophobicContact CD2-CG2 4.36Å; L285-V287 HydrophobicContact CG-CG2 4.03Å; L285-F301 HydrophobicContact CD2-CE1 4.14Å; L285-F301 HydrophobicContact CD2-CE2 4.48Å; L285-F301 HydrophobicContact CD2-CZ 3.47Å; L285-F301 VanDerWaalsContact CD2-CZ 3.47Å; L285-L313 PolarHBondContact N-O 3.45Å; L285-I314 HydrophobicContact CB-CD1 3.92Å; L285-D315 PolarHBondContact O-N 2.86Å; L285-F316 HydrophobicContact CD2-CE1 3.83Å; L285-F316 HydrophobicContact CD2-CZ 4.03Å; L285-F316 HydrophobicContact CG-CE1 4.27Å
286	V	98.7	Very high	96.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	114.9	173.8	-178.5	0	0	0	0	108.8	I260 L262 R263 L313 D315	I260-V286 PolarHBondContact O-N 2.8Å; L262-V286 CarbonylContact C-O 3.44Å; L262-V286 WeakPolarHBondContact CA-O 3.4Å; L262-V286 WeakPolarHBondContact CB-O 3.32Å; L262-V286 PolarHBondContact N-O 3.32Å; R263-V286 HydrophobicContact CG-CG1 3.61Å; V286-L313 HydrophobicContact CG2-CD2 4.14Å; V286-D315 HydrophobicContact CB-CB 4.3Å; V286-D315 HydrophobicContact CG1-CB 4.07Å; V286-D315 HydrophobicContact CG2-CB 4.04Å
287	V	98.6	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.			trans	-124.1	83.6	166.3	-167.9	0	0	0	0	107.1	L262 L268 I271 L285 L293 D315 F316 N319	L262-V287 HydrophobicContact CB-CB 4.47Å; L262-V287 HydrophobicContact CB-CG1 4.32Å; L262-V287 HydrophobicContact CB-CG2 4.21Å; L262-V287 HydrophobicContact CD1-CG2 3.99Å; L262-V287 WeakPolarHBondContact O-CA 3.36Å; L268-V287 HydrophobicContact CD2-CG1 3.69Å; I271-V287 HydrophobicContact CD1-CG1 4.31Å; I271-V287 HydrophobicContact CD1-CG2 4.28Å; L285-V287 HydrophobicContact CD1-CG2 3.83Å; L285-V287 HydrophobicContact CD2-CG2 4.36Å; L285-V287 HydrophobicContact CG-CG2 4.03Å; V287-L293 HydrophobicContact CG1-CD2 3.68Å; V287-D315 CarbonylContact C-O 3.05Å; V287-D315 PolarHBondContact N-O 3.04Å; V287-F316 HydrophobicContact CB-CD1 3.93Å; V287-F316 HydrophobicContact CB-CE1 4.2Å; V287-F316 HydrophobicContact CG2-CD1 4.22Å; V287-F316 HydrophobicContact CG2-CE1 3.98Å; V287-F316 WeakPolarHBondContact O-CA 3.5Å; V287-N319 PolarHBondContact O-ND2 3.32Å
288	S	98.6	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.			trans	-121.7	165.6	-175.5	73.3	0	0	0	0	112.2	L262 R263 H264 S290 S317	L262-S288 PolarHBondContact O-N 2.99Å; R263-S288 CarbonylContact C-O 3.52Å; R263-S288 WeakPolarHBondContact CA-O 3.32Å; H264-S288 PolarHBondContact N-O 2.94Å; S288-S290 PolarHBondContact O-N 3.2Å; S288-S290 PolarHBondContact O-OG 2.89Å; S288-S290 VanDerWaalsContact O-OG 3.11Å; S288-S317 WeakPolarHBondContact CA-O 3.31Å; S288-S317 VanDerWaalsContact CB-O 3.32Å; S288-S317 WeakPolarHBondContact CB-O 3.22Å
289	D	98.6	Very high	96.7	Very high	35 Å²	35	41.3 Å²	41.3	19%	0.187	19%	0.194	C	C	.	.	S	Bend	trans	57.8	35.3	173.1	-48.9	-84.1	0	0	0	112.8	H264 P291 S317 N318	H264-D289 WeakPolarHBondContact CA-O 3.35Å; H264-D289 VanDerWaalsContact CE1-CG 3.48Å; H264-D289 IonicContact CE1-OD1 3.85Å; H264-D289 IonicContact CE1-OD2 3.8Å; H264-D289 WeakPolarHBondContact ND1-CB 3.19Å; D289-P291 VanDerWaalsContact O-CD 3.25Å; D289-P291 WeakPolarHBondContact O-CD 3.21Å; D289-S317 PolarHBondContact N-O 3.44Å; D289-N318 CarbonylContact C-O 3.55Å; D289-N318 WeakPolarHBondContact CA-O 3.24Å; D289-N318 PolarHBondContact N-O 2.83Å; D289-N318 PolarHBondContact OD1-ND2 3.35Å
290	S	98.5	Very high	96.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-113.7	81.4	-178.1	-52.4	0	0	0	0	109.5	M265 S288 K292 L293 N318 N319	M265-S290 WeakPolarHBondContact CB-OG 3.37Å; M265-S290 PolarHBondContact N-OG 3.27Å; M265-S290 WeakPolarHBondContact O-CB 3.21Å; S288-S290 PolarHBondContact O-N 3.2Å; S288-S290 PolarHBondContact O-OG 2.89Å; S288-S290 VanDerWaalsContact O-OG 3.11Å; S290-K292 PolarHBondContact O-N 2.77Å; S290-L293 WeakPolarHBondContact O-CB 3.29Å; S290-L293 PolarHBondContact O-N 2.9Å; S290-N318 PolarHBondContact N-O 2.77Å; S290-N319 VanDerWaalsContact CA-OD1 3.28Å; S290-N319 WeakPolarHBondContact CA-OD1 3.44Å; S290-N319 WeakPolarHBondContact CB-OD1 3Å; S290-N319 PolarHBondContact N-OD1 3.46Å; S290-N319 PolarHBondContact O-OD1 2.84Å
291	P	97.7	Very high	97	Very high	69 Å²	69	38.2 Å²	38.2	45%	0.448	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15	-167.3	25.3	-36.3	0	0	0	114.4	D289 S320	D289-P291 VanDerWaalsContact O-CD 3.25Å; D289-P291 WeakPolarHBondContact O-CD 3.21Å; P291-S320 WeakPolarHBondContact O-CB 3.33Å; P291-S320 PolarHBondContact O-OG 2.87Å
292	K	98.1	Very high	96.9	Very high	91 Å²	91	36 Å²	36	40%	0.396	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-11.1	175.9	-66.9	-170.5	-174	-179.8	0	113.7	H266 L268 V269 S290 K294	H266-K292 WeakPolarHBondContact O-CD 3.43Å; L268-K292 CarbonylContact O-C 3.44Å; L268-K292 WeakPolarHBondContact O-CB 3.15Å; V269-K292 HydrophobicContact CG2-CB 4.46Å; S290-K292 PolarHBondContact O-N 2.77Å; K292-K294 PolarHBondContact O-N 3.37Å
293	L	98.4	Very high	96.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.			trans	-72.9	112	-176.1	176.5	61.7	0	0	0	109.2	L268 I271 V287 S290 W295 N319 S320 L321	L268-L293 HydrophobicContact CD2-CD1 4.46Å; L268-L293 HydrophobicContact CD2-CD2 4.19Å; L268-L293 HydrophobicContact CG-CD1 4.26Å; L268-L293 VanDerWaalsContact O-CA 3.27Å; L268-L293 WeakPolarHBondContact O-CA 3.2Å; L268-L293 PolarHBondContact O-N 2.97Å; I271-L293 HydrophobicContact CG1-CD1 4.17Å; V287-L293 HydrophobicContact CG1-CD2 3.68Å; S290-L293 WeakPolarHBondContact O-CB 3.29Å; S290-L293 PolarHBondContact O-N 2.9Å; L293-W295 WeakPolarHBondContact CD1-O 3.29Å; L293-N319 HydrophobicContact CB-CB 4.36Å; L293-N319 HydrophobicContact CD2-CB 4.48Å; L293-S320 CarbonylContact O-C 3.55Å; L293-S320 VanDerWaalsContact O-CA 3.27Å; L293-S320 WeakPolarHBondContact O-CA 3.35Å; L293-S320 WeakPolarHBondContact O-CB 3.5Å; L293-S320 PolarHBondContact O-N 3.34Å; L293-L321 HydrophobicContact CD2-CD2 4.42Å; L293-L321 HydrophobicContact CG-CD2 3.94Å; L293-L321 PolarHBondContact O-N 3.26Å
294	K	96.6	Very high	95.6	Very high	134 Å²	134	37.6 Å²	37.6	58%	0.583	19%	0.19	S	C	*	.			trans	-116.1	-20.6	-177.1	-70.5	177.3	-178	-178.3	0	113.5	V269 K292	V269-K294 PolarHBondContact O-N 3.46Å; V269-K294 VanDerWaalsContact O-N 3.13Å; K292-K294 PolarHBondContact O-N 3.37Å
295	W	96.9	Very high	94.8	Very high	118 Å²	118	44.7 Å²	44.7	45%	0.447	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	129.2	-171.2	-179.7	-107.8	0	0	0	111.5	S270 I271 L293 P298	S270-W295 WeakPolarHBondContact CA-O 3.24Å; I271-W295 PolarHBondContact N-O 3Å; L293-W295 WeakPolarHBondContact CD1-O 3.29Å; W295-P298 HydrophobicContact CH2-CG 4.3Å; W295-P298 VanDerWaalsContact CZ2-CD 3.48Å; W295-P298 HydrophobicContact CZ2-CG 4.36Å
296	I	97.9	Very high	93.9	Very high	13 Å²	13	51.6 Å²	51.6	7%	0.067	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120	164.4	-58.9	177.3	0	0	0	105.3	I271 A300 F316 L321 L328	I271-I296 HydrophobicContact CB-CG1 4.37Å; I271-I296 HydrophobicContact CB-CG2 4.23Å; I271-I296 HydrophobicContact CD1-CD1 4.23Å; I271-I296 HydrophobicContact CD1-CG1 4.02Å; I271-I296 HydrophobicContact CG1-CG1 4.37Å; I271-I296 HydrophobicContact CG2-CG2 4.35Å; I296-A300 HydrophobicContact CG2-CB 4.12Å; I296-F316 HydrophobicContact CD1-CD1 4.24Å; I296-F316 HydrophobicContact CD1-CD2 4.18Å; I296-F316 HydrophobicContact CD1-CE1 4.25Å; I296-F316 HydrophobicContact CD1-CE2 4.19Å; I296-F316 HydrophobicContact CD1-CG 4.2Å; I296-F316 HydrophobicContact CD1-CZ 4.23Å; I296-L321 HydrophobicContact CD1-CD1 3.81Å; I296-L321 HydrophobicContact CD1-CD2 4.06Å; I296-L321 HydrophobicContact CG1-CD2 3.85Å; I296-L328 HydrophobicContact CG2-CD1 3.77Å; I296-L328 HydrophobicContact CG2-CD2 3.99Å
297	D	97.3	Very high	93	Very high	31 Å²	31	52.4 Å²	52.4	17%	0.166	25%	0.252	C	S	.	.			trans	-59.8	135.1	178.3	-167.1	-84.1	0	0	0	110.9	I271 D273 F299 A300 L328	I271-D297 WeakPolarHBondContact O-CB 3.39Å; I271-D297 PolarHBondContact O-N 2.92Å; D273-D297 HydrophobicContact CB-CB 4.32Å; D297-F299 PolarHBondContact O-N 3.05Å; D297-F299 PolarHBondContact OD1-N 2.94Å; D297-A300 WeakPolarHBondContact O-CB 3.34Å; D297-A300 PolarHBondContact O-N 3.45Å; D297-L328 VanDerWaalsContact O-CD1 3.29Å; D297-L328 WeakPolarHBondContact O-CD1 3.42Å
298	P	94.7	Very high	92.2	Very high	24 Å²	24	58.7 Å²	58.7	16%	0.156	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-27.8	176.9	-31	37.3	0	0	0	114.9	W295 N325	W295-P298 HydrophobicContact CH2-CG 4.3Å; W295-P298 VanDerWaalsContact CZ2-CD 3.48Å; W295-P298 HydrophobicContact CZ2-CG 4.36Å; P298-N325 HydrophobicContact CB-CB 3.97Å; P298-N325 WeakPolarHBondContact CB-ND2 3.34Å; P298-N325 HydrophobicContact CG-CB 4.13Å
299	F	95.1	Very high	91.6	Very high	136 Å²	136	65 Å²	65	60%	0.596	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	22.4	-179.1	-55.9	-74.3	0	0	0	112.7	C274 D297 F301 G302	C274-F299 PolarHBondContact N-O 3.16Å; D297-F299 PolarHBondContact O-N 3.05Å; D297-F299 PolarHBondContact OD1-N 2.94Å; F299-F301 PolarHBondContact O-N 2.94Å; F299-F301 VanDerWaalsContact O-N 3.11Å; F299-G302 PolarHBondContact O-N 3.23Å
300	A	97	Very high	91.3	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.9	179.4	0	0	0	0	0	113.4	I271 C274 A275 F276 I296 D297 L328	I271-A300 HydrophobicContact CG2-CB 3.86Å; C274-A300 CarbonylContact C-O 3.53Å; C274-A300 WeakPolarHBondContact CA-O 3.33Å; A275-A300 PolarHBondContact N-O 2.98Å; A275-A300 VanDerWaalsContact N-O 3.11Å; F276-A300 WeakPolarHBondContact CA-O 3.3Å; F276-A300 HydrophobicContact CD2-CB 4.39Å; F276-A300 PolarHBondContact N-O 3.26Å; I296-A300 HydrophobicContact CG2-CB 4.12Å; D297-A300 WeakPolarHBondContact O-CB 3.34Å; D297-A300 PolarHBondContact O-N 3.45Å; A300-L328 HydrophobicContact CB-CD1 3.95Å
301	F	94.6	Very high	91.2	Very high	3 Å²	3	70.2 Å²	70.2	1%	0.013	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	1.1	175.2	-65.6	-88.4	0	0	0	114	F276 L282 L285 F299 F307 L328 L329	F276-F301 HydrophobicContact CB-CD1 3.48Å; F276-F301 VanDerWaalsContact CB-CD1 3.48Å; F276-F301 HydrophobicContact CB-CE1 3.53Å; F276-F301 HydrophobicContact CB-CG 4.17Å; F276-F301 HydrophobicContact CB-CZ 4.27Å; F276-F301 HydrophobicContact CD2-CD1 4.44Å; F276-F301 AromaticContact CD2-CE1 3.93Å; F276-F301 HydrophobicContact CD2-CE1 3.93Å; F276-F301 HydrophobicContact CD2-CE2 4.17Å; F276-F301 AromaticContact CD2-CZ 3.8Å; F276-F301 HydrophobicContact CD2-CZ 3.8Å; F276-F301 HydrophobicContact CE2-CZ 4.43Å; F276-F301 HydrophobicContact CG-CD1 4.27Å; F276-F301 AromaticContact CG-CE1 3.86Å; F276-F301 HydrophobicContact CG-CE1 3.86Å; F276-F301 HydrophobicContact CG-CZ 4.2Å; L282-F301 HydrophobicContact CD2-CE1 3.71Å; L282-F301 HydrophobicContact CD2-CZ 4.41Å; L285-F301 HydrophobicContact CD2-CE1 4.14Å; L285-F301 HydrophobicContact CD2-CE2 4.48Å; L285-F301 HydrophobicContact CD2-CZ 3.47Å; L285-F301 VanDerWaalsContact CD2-CZ 3.47Å; F299-F301 PolarHBondContact O-N 2.94Å; F299-F301 VanDerWaalsContact O-N 3.11Å; F301-F307 HydrophobicContact CB-CE2 4.22Å; F301-F307 HydrophobicContact CB-CZ 4.37Å; F301-F307 AromaticContact CD1-CZ 4Å; F301-F307 HydrophobicContact CD1-CZ 4Å; F301-L328 HydrophobicContact CD2-CD1 3.86Å; F301-L328 HydrophobicContact CD2-CG 4.02Å; F301-L328 VanDerWaalsContact CD2-O 3.28Å; F301-L328 WeakPolarHBondContact CD2-O 3.48Å; F301-L328 HydrophobicContact CE2-CD1 4.12Å; F301-L328 HydrophobicContact CE2-CG 4.08Å; F301-L329 HydrophobicContact CB-CD2 4.43Å; F301-L329 HydrophobicContact CD1-CD2 3.82Å; F301-L329 HydrophobicContact CD2-CD2 3.63Å; F301-L329 HydrophobicContact CD2-CG 3.86Å; F301-L329 HydrophobicContact CE1-CD2 3.87Å; F301-L329 HydrophobicContact CE2-CD1 3.94Å; F301-L329 HydrophobicContact CE2-CD2 3.69Å; F301-L329 HydrophobicContact CE2-CG 3.72Å; F301-L329 HydrophobicContact CG-CD2 3.68Å; F301-L329 HydrophobicContact CG-CG 4.41Å; F301-L329 HydrophobicContact CZ-CD1 4.09Å; F301-L329 HydrophobicContact CZ-CD2 3.78Å; F301-L329 HydrophobicContact CZ-CG 4.16Å
302	G	90.7	Very high	91.2	Very high	19 Å²	19	69.7 Å²	69.7	20%	0.196	33%	0.329	C	S	.	.			trans	68.7	-138.2	-170.5	0	0	0	0	0	112	C277 F299	C277-G302 WeakPolarHBondContact SG-CA 3.07Å; C277-G302 PolarHBondContact SG-N 2.84Å; C277-G302 VanDerWaalsContact SG-N 3.37Å; F299-G302 PolarHBondContact O-N 3.23Å
303	S	85.7	Confident	91.2	Very high	53 Å²	53	67 Å²	67	37%	0.371	32%	0.319	S	S	.	.			trans	-78.1	122.7	179.1	179.7	0	0	0	0	111.3	Q305	S303-Q305 PolarHBondContact O-N 2.73Å; S303-Q305 PolarHBondContact OG-N 3.02Å
304	N	78.1	Confident	91.2	Very high	52 Å²	52	67 Å²	67	28%	0.278	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-69.1	-8.7	177.3	64.9	19.7	0	0	0	114.3	Y306 F307 D327	N304-Y306 PolarHBondContact O-N 3.08Å; N304-F307 PolarHBondContact O-N 3.34Å; N304-D327 PolarHBondContact ND2-O 3.34Å
305	Q	80.2	Confident	91.3	Very high	160 Å²	160	60.7 Å²	60.7	75%	0.748	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-68.5	-19.4	-175.1	-64.1	-179.3	0.1	0	0	113.9	S303	S303-Q305 PolarHBondContact O-N 2.73Å; S303-Q305 PolarHBondContact OG-N 3.02Å
306	Y	80.7	Confident	91.3	Very high	146 Å²	146	55.1 Å²	55.1	57%	0.573	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-88.6	-8	-176.7	-61.2	-69.4	0	0	0	113.9	H280 N304 N308	H280-Y306 VanDerWaalsContact NE2-CB 3.34Å; H280-Y306 WeakPolarHBondContact NE2-CB 3.38Å; H280-Y306 AromaticContact NE2-CG 3.97Å; N304-Y306 PolarHBondContact O-N 3.08Å; Y306-N308 PolarHBondContact O-N 3.24Å
307	F	80	Confident	91.4	Very high	17 Å²	17	55.2 Å²	55.2	8%	0.075	27%	0.272	C	S	.	.			trans	-78.3	112	174.8	-73.8	-86.8	0	0	0	110.4	L279 L282 F301 N304 I311 L329 P330	L279-F307 VanDerWaalsContact O-CE1 3.29Å; L279-F307 WeakPolarHBondContact O-CE1 3.31Å; L282-F307 HydrophobicContact CB-CE1 4.37Å; F301-F307 HydrophobicContact CB-CE2 4.22Å; F301-F307 HydrophobicContact CB-CZ 4.37Å; F301-F307 AromaticContact CD1-CZ 4Å; F301-F307 HydrophobicContact CD1-CZ 4Å; N304-F307 PolarHBondContact O-N 3.34Å; F307-I311 HydrophobicContact CD1-CD1 4.07Å; F307-I311 HydrophobicContact CE1-CD1 4.28Å; F307-L329 HydrophobicContact CZ-CD2 4.36Å; F307-P330 HydrophobicContact CB-CG 3.72Å; F307-P330 HydrophobicContact CD2-CG 4.32Å; F307-P330 HydrophobicContact CG-CG 4.03Å
308	N	80	Confident	91.4	Very high	131 Å²	131	57.3 Å²	57.3	70%	0.701	28%	0.283	S	S	*	.			trans	-112.5	1.9	-179.7	64.1	-7.5	0	0	0	113.8	Y306	Y306-N308 PolarHBondContact O-N 3.24Å
309	R	86.9	Confident	91.6	Very high	134 Å²	134	56.5 Å²	56.5	51%	0.506	28%	0.278	S	S	.	.	S	Bend	trans	-115	161.9	-178.7	-69.1	179.6	-178.5	-164.4	0.5	111.5	N333	R309-N333 PolarHBondContact O-ND2 3.12Å
310	E	92.9	Very high	91.7	Very high	143 Å²	143	51.5 Å²	51.5	67%	0.668	26%	0.26	S	S	*	.			trans	-69.2	145.4	166.1	-67.3	-173.5	170.9	0	0	109.8	P312 N333	E310-P312 WeakPolarHBondContact O-CD 3.36Å; E310-N333 WeakPolarHBondContact CA-O 3.23Å
311	I	95.5	Very high	91.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	96.4	174.8	-53.4	175	0	0	0	107	F307 L313 I314 L329 P330 N333 V334 T335	F307-I311 HydrophobicContact CD1-CD1 4.07Å; F307-I311 HydrophobicContact CE1-CD1 4.28Å; I311-L313 VanDerWaalsContact C-N 3.28Å; I311-L313 PolarHBondContact O-N 2.84Å; I311-I314 HydrophobicContact CG2-CD1 3.75Å; I311-I314 HydrophobicContact CG2-CG1 3.94Å; I311-L329 HydrophobicContact CD1-CD2 4.33Å; I311-P330 HydrophobicContact CD1-CG 4.38Å; I311-N333 PolarHBondContact N-O 3.33Å; I311-V334 HydrophobicContact CB-CG2 4.18Å; I311-V334 HydrophobicContact CD1-CG2 4.3Å; I311-V334 CarbonylContact O-C 3.56Å; I311-V334 VanDerWaalsContact O-CA 3.29Å; I311-V334 WeakPolarHBondContact O-CA 3.41Å; I311-T335 PolarHBondContact O-N 3.05Å
312	P	97.5	Very high	91.9	Very high	58 Å²	58	53.5 Å²	53.5	38%	0.377	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.5	-42.7	-178.4	-33.7	34.3	0	0	0	115.3	Q283 E310 T335 I336	Q283-P312 HydrophobicContact CB-CG 4.34Å; Q283-P312 WeakPolarHBondContact O-CD 3.19Å; Q283-P312 VanDerWaalsContact O-N 3.16Å; E310-P312 WeakPolarHBondContact O-CD 3.36Å; P312-T335 WeakPolarHBondContact O-CB 3.11Å; P312-I336 WeakPolarHBondContact O-CB 3.28Å; P312-I336 PolarHBondContact O-N 3.23Å
313	L	98.2	Very high	92.1	Very high	35 Å²	35	58.6 Å²	58.6	18%	0.183	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	126.7	-173.7	179.9	63.2	0	0	0	113.2	Q283 S284 L285 V286 I311 D315 I336	Q283-L313 PolarHBondContact O-N 3.25Å; Q283-L313 VanDerWaalsContact O-N 3.09Å; S284-L313 WeakPolarHBondContact CA-O 3.18Å; L285-L313 PolarHBondContact N-O 3.45Å; V286-L313 HydrophobicContact CG2-CD2 4.14Å; I311-L313 VanDerWaalsContact C-N 3.28Å; I311-L313 PolarHBondContact O-N 2.84Å; L313-D315 HydrophobicContact CD1-CB 4.39Å; L313-D315 HydrophobicContact CG-CB 4.46Å; L313-I336 HydrophobicContact CD1-CB 3.94Å; L313-I336 HydrophobicContact CD1-CG2 3.76Å
314	I	98.2	Very high	92.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.6	160.9	-62.8	-64.3	0	0	0	108.2	L282 L285 I311 F316 L329 W331 V334 I336 R338	L282-I314 HydrophobicContact CD2-CD1 4.5Å; L285-I314 HydrophobicContact CB-CD1 3.92Å; I311-I314 HydrophobicContact CG2-CD1 3.75Å; I311-I314 HydrophobicContact CG2-CG1 3.94Å; I314-F316 HydrophobicContact CG2-CD2 3.9Å; I314-F316 HydrophobicContact CG2-CE1 4.28Å; I314-F316 HydrophobicContact CG2-CE2 3.56Å; I314-F316 HydrophobicContact CG2-CG 4.4Å; I314-F316 HydrophobicContact CG2-CZ 3.77Å; I314-L329 HydrophobicContact CD1-CD1 3.6Å; I314-L329 HydrophobicContact CG1-CD1 3.8Å; I314-L329 HydrophobicContact CG2-CD1 4.2Å; I314-W331 HydrophobicContact CB-CZ3 4.4Å; I314-W331 HydrophobicContact CG2-CH2 4.23Å; I314-W331 HydrophobicContact CG2-CZ3 4.02Å; I314-V334 HydrophobicContact CB-CG1 4.08Å; I314-V334 HydrophobicContact CG1-CG1 3.76Å; I314-V334 HydrophobicContact CG1-CG2 4Å; I314-I336 PolarHBondContact N-O 3.01Å; I314-R338 PolarHBondContact O-N 2.96Å
315	D	98.6	Very high	93.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	106.8	-179.6	-167.9	-16.4	0	0	0	110.8	L285 V286 V287 L313 S317 R338	L285-D315 PolarHBondContact O-N 2.86Å; V286-D315 HydrophobicContact CB-CB 4.3Å; V286-D315 HydrophobicContact CG1-CB 4.07Å; V286-D315 HydrophobicContact CG2-CB 4.04Å; V287-D315 CarbonylContact C-O 3.05Å; V287-D315 PolarHBondContact N-O 3.04Å; L313-D315 HydrophobicContact CD1-CB 4.39Å; L313-D315 HydrophobicContact CG-CB 4.46Å; D315-S317 VanDerWaalsContact OD1-CB 3.22Å; D315-S317 WeakPolarHBondContact OD1-CB 3.29Å; D315-S317 PolarHBondContact OD1-N 3.15Å; D315-S317 PolarHBondContact OD1-OG 3.15Å; D315-R338 CarbonylContact C-O 3.59Å; D315-R338 WeakPolarHBondContact CA-O 3.48Å; D315-R338 HydrophobicContact CB-CB 4.03Å; D315-R338 WeakPolarHBondContact OD1-CB 3.22Å; D315-R338 WeakPolarHBondContact OD2-CD 3.17Å; D315-R338 IonicContact OD2-NH1 3.71Å; D315-R338 PolarHBondContact OD2-NH1 3.15Å
316	F	98.5	Very high	94	Very high	1 Å²	1	51.1 Å²	51.1	0%	0.004	25%	0.254	C	S	.	.			trans	-114.5	26.1	169.9	-55.4	-40.8	0	0	0	111.7	L285 V287 I296 I314 N319 L321 L324 L328 W331 R338 I339 N342	L285-F316 HydrophobicContact CD2-CE1 3.83Å; L285-F316 HydrophobicContact CD2-CZ 4.03Å; L285-F316 HydrophobicContact CG-CE1 4.27Å; V287-F316 HydrophobicContact CB-CD1 3.93Å; V287-F316 HydrophobicContact CB-CE1 4.2Å; V287-F316 HydrophobicContact CG2-CD1 4.22Å; V287-F316 HydrophobicContact CG2-CE1 3.98Å; V287-F316 WeakPolarHBondContact O-CA 3.5Å; I296-F316 HydrophobicContact CD1-CD1 4.24Å; I296-F316 HydrophobicContact CD1-CD2 4.18Å; I296-F316 HydrophobicContact CD1-CE1 4.25Å; I296-F316 HydrophobicContact CD1-CE2 4.19Å; I296-F316 HydrophobicContact CD1-CG 4.2Å; I296-F316 HydrophobicContact CD1-CZ 4.23Å; I314-F316 HydrophobicContact CG2-CD2 3.9Å; I314-F316 HydrophobicContact CG2-CE1 4.28Å; I314-F316 HydrophobicContact CG2-CE2 3.56Å; I314-F316 HydrophobicContact CG2-CG 4.4Å; I314-F316 HydrophobicContact CG2-CZ 3.77Å; F316-N319 PolarHBondContact O-ND2 3.43Å; F316-L321 HydrophobicContact CB-CD1 3.94Å; F316-L324 HydrophobicContact CD2-CD1 4.08Å; F316-L324 HydrophobicContact CE2-CD1 4.17Å; F316-L328 HydrophobicContact CE2-CD2 3.98Å; F316-L328 HydrophobicContact CZ-CD2 4.46Å; F316-W331 HydrophobicContact CE2-CH2 4.2Å; F316-R338 CarbonylContact C-O 3.51Å; F316-R338 PolarHBondContact N-O 3.04Å; F316-I339 HydrophobicContact CB-CG2 4.26Å; F316-I339 HydrophobicContact CD2-CG2 4.48Å; F316-N342 PolarHBondContact O-ND2 3.25Å
317	S	98.4	Very high	94.6	Very high	14 Å²	14	49.1 Å²	49.1	10%	0.098	25%	0.253	C	S	.	.			trans	-71.2	158.1	-178.5	64.7	0	0	0	0	113.2	S288 D289 D315 N319 R338 D340	S288-S317 WeakPolarHBondContact CA-O 3.31Å; S288-S317 VanDerWaalsContact CB-O 3.32Å; S288-S317 WeakPolarHBondContact CB-O 3.22Å; D289-S317 PolarHBondContact N-O 3.44Å; D315-S317 VanDerWaalsContact OD1-CB 3.22Å; D315-S317 WeakPolarHBondContact OD1-CB 3.29Å; D315-S317 PolarHBondContact OD1-N 3.15Å; D315-S317 PolarHBondContact OD1-OG 3.15Å; S317-N319 PolarHBondContact O-N 2.93Å; S317-N319 PolarHBondContact O-ND2 3.13Å; S317-R338 PolarHBondContact N-O 3.29Å; S317-D340 VanDerWaalsContact CA-O 3.29Å; S317-D340 WeakPolarHBondContact CA-O 3.36Å; S317-D340 WeakPolarHBondContact CB-OD1 3.32Å
318	N	98.3	Very high	95.2	Very high	75 Å²	75	48.5 Å²	48.5	40%	0.401	25%	0.25	S	S	.	.	S	Bend	trans	56.2	47.5	174.6	-160.2	27.9	0	0	0	114	D289 S290 D340 N341	D289-N318 CarbonylContact C-O 3.55Å; D289-N318 WeakPolarHBondContact CA-O 3.24Å; D289-N318 PolarHBondContact N-O 2.83Å; D289-N318 PolarHBondContact OD1-ND2 3.35Å; S290-N318 PolarHBondContact N-O 2.77Å; N318-D340 PolarHBondContact N-O 2.99Å; N318-N341 CarbonylContact C-O 3.59Å; N318-N341 WeakPolarHBondContact CA-O 3.25Å; N318-N341 HydrophobicContact CB-CB 4.32Å; N318-N341 PolarHBondContact N-O 3.22Å
319	N	98.5	Very high	95.9	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.043	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-122.7	-168.3	175.1	-60.5	-55.3	0	0	0	110.4	V287 S290 L293 F316 S317 L321 N341 N342	V287-N319 PolarHBondContact O-ND2 3.32Å; S290-N319 VanDerWaalsContact CA-OD1 3.28Å; S290-N319 WeakPolarHBondContact CA-OD1 3.44Å; S290-N319 WeakPolarHBondContact CB-OD1 3Å; S290-N319 PolarHBondContact N-OD1 3.46Å; S290-N319 PolarHBondContact O-OD1 2.84Å; L293-N319 HydrophobicContact CB-CB 4.36Å; L293-N319 HydrophobicContact CD2-CB 4.48Å; F316-N319 PolarHBondContact O-ND2 3.43Å; S317-N319 PolarHBondContact O-N 2.93Å; S317-N319 PolarHBondContact O-ND2 3.13Å; N319-L321 HydrophobicContact CB-CD1 4.49Å; N319-L321 HydrophobicContact CB-CG 4.17Å; N319-N341 PolarHBondContact N-O 2.82Å; N319-N341 VanDerWaalsContact O-O 3.13Å; N319-N342 WeakPolarHBondContact CA-OD1 3.39Å; N319-N342 VanDerWaalsContact CB-OD1 3.23Å; N319-N342 WeakPolarHBondContact CB-OD1 3.4Å; N319-N342 PolarHBondContact O-OD1 2.95Å
320	S	97.9	Very high	96.1	Very high	31 Å²	31	36.7 Å²	36.7	22%	0.217	20%	0.198	C	C	.	.			trans	-112.5	28	175.5	-74	0	0	0	0	112.5	P291 L293	P291-S320 WeakPolarHBondContact O-CB 3.33Å; P291-S320 PolarHBondContact O-OG 2.87Å; L293-S320 CarbonylContact O-C 3.55Å; L293-S320 VanDerWaalsContact O-CA 3.27Å; L293-S320 WeakPolarHBondContact O-CA 3.35Å; L293-S320 WeakPolarHBondContact O-CB 3.5Å; L293-S320 PolarHBondContact O-N 3.34Å
321	L	97.9	Very high	96.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	17%	0.167	C	C	.	.			trans	-68	139.7	-179.5	-60	170.6	0	0	0	110.5	L293 I296 F316 N319 N342 M343 W344	L293-L321 HydrophobicContact CD2-CD2 4.42Å; L293-L321 HydrophobicContact CG-CD2 3.94Å; L293-L321 PolarHBondContact O-N 3.26Å; I296-L321 HydrophobicContact CD1-CD1 3.81Å; I296-L321 HydrophobicContact CD1-CD2 4.06Å; I296-L321 HydrophobicContact CG1-CD2 3.85Å; F316-L321 HydrophobicContact CB-CD1 3.94Å; N319-L321 HydrophobicContact CB-CD1 4.49Å; N319-L321 HydrophobicContact CB-CG 4.17Å; L321-N342 HydrophobicContact CB-CB 4.48Å; L321-N342 VanDerWaalsContact CB-OD1 3.22Å; L321-N342 WeakPolarHBondContact CB-OD1 3.34Å; L321-N342 WeakPolarHBondContact CG-OD1 3.45Å; L321-N342 PolarHBondContact N-OD1 2.77Å; L321-M343 CarbonylContact O-C 3.41Å; L321-M343 VanDerWaalsContact O-C 3.22Å; L321-M343 VanDerWaalsContact O-CA 3.32Å; L321-M343 WeakPolarHBondContact O-CA 3.45Å; L321-M343 PolarHBondContact O-N 3.11Å; L321-W344 HydrophobicContact CB-CH2 3.54Å; L321-W344 HydrophobicContact CB-CZ2 4.24Å; L321-W344 HydrophobicContact CB-CZ3 3.74Å; L321-W344 HydrophobicContact CD1-CH2 3.83Å; L321-W344 HydrophobicContact CD1-CZ2 4.49Å; L321-W344 HydrophobicContact CG-CH2 4.33Å
322	S	96.4	Very high	96.1	Very high	44 Å²	44	37.2 Å²	37.2	31%	0.308	20%	0.198	S	C	.	.			trans	-112.8	-17.5	175.5	61.9	0	0	0	0	113.9	M343 T345	S322-M343 VanDerWaalsContact CA-O 3.28Å; S322-M343 WeakPolarHBondContact CA-O 3.35Å; S322-M343 WeakPolarHBondContact CB-O 3.27Å; S322-T345 PolarHBondContact O-N 3.18Å
323	R	95.4	Very high	95.9	Very high	126 Å²	126	36.2 Å²	36.2	48%	0.475	19%	0.189	S	C	.	.			trans	-143.3	150.7	-179.3	-62.9	-175	-179.6	179.8	-3	110.3	D349	R323-D349 IonicContact CZ-OD2 4Å; R323-D349 IonicContact NH1-OD2 2.68Å
324	L	95.9	Very high	95.8	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	18%	0.181	C	C	.	.			trans	-142	114.7	175.9	-174.2	64.8	0	0	0	108.3	F316 L328 W331 I339 W344 L350 W352	F316-L324 HydrophobicContact CD2-CD1 4.08Å; F316-L324 HydrophobicContact CE2-CD1 4.17Å; L324-L328 HydrophobicContact CD1-CD2 3.54Å; L324-W331 HydrophobicContact CD1-CH2 4.43Å; L324-W331 HydrophobicContact CD1-CZ2 4.23Å; L324-W331 HydrophobicContact CD2-CH2 3.83Å; L324-W331 HydrophobicContact CD2-CZ2 3.87Å; L324-W331 HydrophobicContact CG-CH2 4.35Å; L324-W331 HydrophobicContact CG-CZ2 3.98Å; L324-I339 HydrophobicContact CD2-CD1 4.41Å; L324-I339 HydrophobicContact CD2-CG2 4.06Å; L324-W344 HydrophobicContact CB-CH2 4.02Å; L324-W344 HydrophobicContact CB-CZ3 3.72Å; L324-W344 HydrophobicContact CD2-CH2 4.43Å; L324-L350 HydrophobicContact CB-CD1 4.38Å; L324-W352 HydrophobicContact CB-CZ2 4.36Å; L324-W352 HydrophobicContact CD2-CH2 4.14Å; L324-W352 HydrophobicContact CD2-CZ2 3.81Å; L324-W352 HydrophobicContact CG-CZ2 3.94Å; L324-W352 PolarHBondContact O-NE1 3.28Å
325	N	94.4	Very high	95.8	Very high	64 Å²	64	37.9 Å²	37.9	34%	0.342	20%	0.201	S	C	.	.			trans	-71	138.1	-173.7	-166.4	-59.2	0	0	0	111.3	P298 D327 L328	P298-N325 HydrophobicContact CB-CB 3.97Å; P298-N325 WeakPolarHBondContact CB-ND2 3.34Å; P298-N325 HydrophobicContact CG-CB 4.13Å; N325-D327 PolarHBondContact O-N 3.02Å; N325-D327 WeakPolarHBondContact OD1-CB 3.47Å; N325-D327 PolarHBondContact OD1-N 3.4Å; N325-L328 WeakPolarHBondContact O-CB 3.36Å; N325-L328 PolarHBondContact O-N 2.74Å
326	A	94.1	Very high	95.7	Very high	39 Å²	39	41 Å²	41	32%	0.322	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-29	178.7	0	0	0	0	0	113.2	W331 W352	A326-W331 PolarHBondContact O-NE1 3.19Å; A326-W352 HydrophobicContact CB-CB 4.11Å; A326-W352 HydrophobicContact CB-CD2 4.18Å; A326-W352 HydrophobicContact CB-CG 3.7Å
327	D	92	Very high	95.7	Very high	105 Å²	105	41 Å²	41	56%	0.561	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-7.8	-176.5	-64.5	-38.6	0	0	0	113.6	N304 N325 L329	N304-D327 PolarHBondContact ND2-O 3.34Å; N325-D327 PolarHBondContact O-N 3.02Å; N325-D327 WeakPolarHBondContact OD1-CB 3.47Å; N325-D327 PolarHBondContact OD1-N 3.4Å; D327-L329 PolarHBondContact O-N 3.36Å
328	L	94	Very high	95.7	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.016	23%	0.227	C	C	.	.	S	Bend	trans	-52.8	-42.8	-176.7	-178.9	69.7	0	0	0	112.5	I296 D297 A300 F301 F316 L324 N325 W331	I296-L328 HydrophobicContact CG2-CD1 3.77Å; I296-L328 HydrophobicContact CG2-CD2 3.99Å; D297-L328 VanDerWaalsContact O-CD1 3.29Å; D297-L328 WeakPolarHBondContact O-CD1 3.42Å; A300-L328 HydrophobicContact CB-CD1 3.95Å; F301-L328 HydrophobicContact CD2-CD1 3.86Å; F301-L328 HydrophobicContact CD2-CG 4.02Å; F301-L328 VanDerWaalsContact CD2-O 3.28Å; F301-L328 WeakPolarHBondContact CD2-O 3.48Å; F301-L328 HydrophobicContact CE2-CD1 4.12Å; F301-L328 HydrophobicContact CE2-CG 4.08Å; F316-L328 HydrophobicContact CE2-CD2 3.98Å; F316-L328 HydrophobicContact CZ-CD2 4.46Å; L324-L328 HydrophobicContact CD1-CD2 3.54Å; N325-L328 WeakPolarHBondContact O-CB 3.36Å; N325-L328 PolarHBondContact O-N 2.74Å; L328-W331 HydrophobicContact CB-CZ2 4.32Å; L328-W331 HydrophobicContact CD2-CZ2 4.16Å
329	L	93.8	Very high	95.7	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.209	C	C	.	.	S	Bend	trans	-143.5	155.9	-178.2	-76.9	171.2	0	0	0	109.8	F301 F307 I311 I314 D327 W331	F301-L329 HydrophobicContact CB-CD2 4.43Å; F301-L329 HydrophobicContact CD1-CD2 3.82Å; F301-L329 HydrophobicContact CD2-CD2 3.63Å; F301-L329 HydrophobicContact CD2-CG 3.86Å; F301-L329 HydrophobicContact CE1-CD2 3.87Å; F301-L329 HydrophobicContact CE2-CD1 3.94Å; F301-L329 HydrophobicContact CE2-CD2 3.69Å; F301-L329 HydrophobicContact CE2-CG 3.72Å; F301-L329 HydrophobicContact CG-CD2 3.68Å; F301-L329 HydrophobicContact CG-CG 4.41Å; F301-L329 HydrophobicContact CZ-CD1 4.09Å; F301-L329 HydrophobicContact CZ-CD2 3.78Å; F301-L329 HydrophobicContact CZ-CG 4.16Å; F307-L329 HydrophobicContact CZ-CD2 4.36Å; I311-L329 HydrophobicContact CD1-CD2 4.33Å; I314-L329 HydrophobicContact CD1-CD1 3.6Å; I314-L329 HydrophobicContact CG1-CD1 3.8Å; I314-L329 HydrophobicContact CG2-CD1 4.2Å; D327-L329 PolarHBondContact O-N 3.36Å; L329-W331 HydrophobicContact CB-CD2 4.26Å; L329-W331 HydrophobicContact CB-CH2 4.5Å; L329-W331 HydrophobicContact CB-CZ2 4.22Å; L329-W331 HydrophobicContact CD1-CH2 4.08Å; L329-W331 HydrophobicContact CD1-CZ2 4.49Å; L329-W331 HydrophobicContact CD1-CZ3 4.29Å; L329-W331 PolarHBondContact O-N 2.94Å; L329-W331 PolarHBondContact O-NE1 2.81Å
330	P	92.6	Very high	95.6	Very high	15 Å²	15	41.2 Å²	41.2	10%	0.097	21%	0.211	C	C	.	.			trans	-73.1	75.4	170.9	34.1	-37.8	0	0	0	110.2	F307 I311 K332 N333	F307-P330 HydrophobicContact CB-CG 3.72Å; F307-P330 HydrophobicContact CD2-CG 4.32Å; F307-P330 HydrophobicContact CG-CG 4.03Å; I311-P330 HydrophobicContact CD1-CG 4.38Å; P330-K332 PolarHBondContact O-N 3.4Å; P330-N333 HydrophobicContact CB-CB 4.45Å; P330-N333 HydrophobicContact CG-CB 4.32Å; P330-N333 WeakPolarHBondContact O-CA 3.22Å; P330-N333 WeakPolarHBondContact O-CB 3.48Å; P330-N333 PolarHBondContact O-N 2.7Å
331	W	94.2	Very high	95.6	Very high	6 Å²	6	45.1 Å²	45.1	2%	0.023	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-53.8	-23.5	-173.5	-60.6	108.4	0	0	0	115.1	I314 F316 L324 A326 L328 L329 N333 V334 I337 W352 Y356 K359	I314-W331 HydrophobicContact CB-CZ3 4.4Å; I314-W331 HydrophobicContact CG2-CH2 4.23Å; I314-W331 HydrophobicContact CG2-CZ3 4.02Å; F316-W331 HydrophobicContact CE2-CH2 4.2Å; L324-W331 HydrophobicContact CD1-CH2 4.43Å; L324-W331 HydrophobicContact CD1-CZ2 4.23Å; L324-W331 HydrophobicContact CD2-CH2 3.83Å; L324-W331 HydrophobicContact CD2-CZ2 3.87Å; L324-W331 HydrophobicContact CG-CH2 4.35Å; L324-W331 HydrophobicContact CG-CZ2 3.98Å; A326-W331 PolarHBondContact O-NE1 3.19Å; L328-W331 HydrophobicContact CB-CZ2 4.32Å; L328-W331 HydrophobicContact CD2-CZ2 4.16Å; L329-W331 HydrophobicContact CB-CD2 4.26Å; L329-W331 HydrophobicContact CB-CH2 4.5Å; L329-W331 HydrophobicContact CB-CZ2 4.22Å; L329-W331 HydrophobicContact CD1-CH2 4.08Å; L329-W331 HydrophobicContact CD1-CZ2 4.49Å; L329-W331 HydrophobicContact CD1-CZ3 4.29Å; L329-W331 PolarHBondContact O-N 2.94Å; L329-W331 PolarHBondContact O-NE1 2.81Å; W331-N333 PolarHBondContact O-N 2.98Å; W331-V334 HydrophobicContact CE3-CB 4.49Å; W331-V334 HydrophobicContact CE3-CG2 4.02Å; W331-V334 PolarHBondContact O-N 3.13Å; W331-I337 HydrophobicContact CE3-CD1 3.83Å; W331-I337 HydrophobicContact CE3-CG1 4.24Å; W331-I337 HydrophobicContact CZ3-CD1 4.36Å; W331-I337 HydrophobicContact CZ3-CG1 4.38Å; W331-I337 HydrophobicContact CZ3-CG2 4.38Å; W331-W352 HydrophobicContact CB-CZ3 3.88Å; W331-W352 AromaticContact CD1-CE3 3.89Å; W331-W352 AromaticContact CD1-CH2 3.68Å; W331-W352 AromaticContact CD1-CZ3 3.41Å; W331-W352 VanDerWaalsContact CD1-CZ3 3.41Å; W331-W352 AromaticContact CD2-CH2 3.43Å; W331-W352 HydrophobicContact CD2-CH2 3.43Å; W331-W352 VanDerWaalsContact CD2-CH2 3.43Å; W331-W352 HydrophobicContact CD2-CZ2 4.47Å; W331-W352 AromaticContact CD2-CZ3 3.58Å; W331-W352 HydrophobicContact CD2-CZ3 3.58Å; W331-W352 AromaticContact CE2-CH2 3.25Å; W331-W352 AromaticContact CE2-CZ2 3.89Å; W331-W352 AromaticContact CE2-CZ3 3.81Å; W331-W352 HydrophobicContact CE3-CH2 4.03Å; W331-W352 HydrophobicContact CE3-CZ3 4.29Å; W331-W352 HydrophobicContact CG-CE3 4.14Å; W331-W352 AromaticContact CG-CH2 3.71Å; W331-W352 HydrophobicContact CG-CH2 3.71Å; W331-W352 AromaticContact CG-CZ3 3.33Å; W331-W352 HydrophobicContact CG-CZ3 3.33Å; W331-W352 HydrophobicContact CH2-CH2 4.29Å; W331-W352 AromaticContact CZ2-CH2 3.73Å; W331-W352 HydrophobicContact CZ2-CH2 3.73Å; W331-W352 HydrophobicContact CZ2-CZ2 4.14Å; W331-W352 HydrophobicContact CZ3-CH2 4.42Å; W331-W352 AromaticContact NE1-CH2 3.4Å; W331-W352 AromaticContact NE1-CZ2 3.8Å; W331-W352 AromaticContact NE1-CZ3 3.68Å; W331-Y356 HydrophobicContact CB-CD2 4.1Å; W331-Y356 HydrophobicContact CB-CE1 4.33Å; W331-Y356 HydrophobicContact CB-CE2 3.85Å; W331-Y356 HydrophobicContact CB-CG 4.4Å; W331-K359 PolarHBondContact O-NZ 2.58Å
332	K	93.2	Very high	95.6	Very high	150 Å²	150	45.8 Å²	45.8	65%	0.652	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-61.1	-31.2	170.9	77.2	-173.3	-179	176.6	0	113.2	P330 Y356 K359	P330-K332 PolarHBondContact O-N 3.4Å; K332-Y356 HydrophobicContact CB-CE1 4.07Å; K332-K359 VanDerWaalsContact C-NZ 3.29Å; K332-K359 PolarHBondContact O-NZ 3.21Å
333	N	93.6	Very high	95.7	Very high	36 Å²	36	49 Å²	49	19%	0.193	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-88.6	-10.6	178.2	-69.9	40.6	0	0	0	113.2	R309 E310 I311 P330 W331	R309-N333 PolarHBondContact O-ND2 3.12Å; E310-N333 WeakPolarHBondContact CA-O 3.23Å; I311-N333 PolarHBondContact N-O 3.33Å; P330-N333 HydrophobicContact CB-CB 4.45Å; P330-N333 HydrophobicContact CG-CB 4.32Å; P330-N333 WeakPolarHBondContact O-CA 3.22Å; P330-N333 WeakPolarHBondContact O-CB 3.48Å; P330-N333 PolarHBondContact O-N 2.7Å; W331-N333 PolarHBondContact O-N 2.98Å
334	V	96.1	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	132.9	179.6	-177.7	0	0	0	0	109.8	I311 I314 W331 I336 I337 K359	I311-V334 HydrophobicContact CB-CG2 4.18Å; I311-V334 HydrophobicContact CD1-CG2 4.3Å; I311-V334 CarbonylContact O-C 3.56Å; I311-V334 VanDerWaalsContact O-CA 3.29Å; I311-V334 WeakPolarHBondContact O-CA 3.41Å; I314-V334 HydrophobicContact CB-CG1 4.08Å; I314-V334 HydrophobicContact CG1-CG1 3.76Å; I314-V334 HydrophobicContact CG1-CG2 4Å; W331-V334 HydrophobicContact CE3-CB 4.49Å; W331-V334 HydrophobicContact CE3-CG2 4.02Å; W331-V334 PolarHBondContact O-N 3.13Å; V334-I336 WeakPolarHBondContact CG1-O 3.27Å; V334-I337 HydrophobicContact CB-CG1 4.27Å; V334-I337 HydrophobicContact CG1-CD1 4.46Å; V334-I337 HydrophobicContact CG1-CG1 3.65Å; V334-K359 VanDerWaalsContact O-CD 3.29Å; V334-K359 WeakPolarHBondContact O-CD 3.47Å; V334-K359 WeakPolarHBondContact O-CE 3.26Å; V334-K359 PolarHBondContact O-NZ 3.04Å
335	T	97.1	Very high	95.8	Very high	70 Å²	70	44 Å²	44	43%	0.429	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-49	-178.3	-53.2	0	0	0	0	111.9	I311 P312	I311-T335 PolarHBondContact O-N 3.05Å; P312-T335 WeakPolarHBondContact O-CB 3.11Å
336	I	97.9	Very high	95.9	Very high	68 Å²	68	41 Å²	41	35%	0.349	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126	-179.8	-57.5	177.1	0	0	0	109.7	P312 L313 I314 V334 R338 K361	P312-I336 WeakPolarHBondContact O-CB 3.28Å; P312-I336 PolarHBondContact O-N 3.23Å; L313-I336 HydrophobicContact CD1-CB 3.94Å; L313-I336 HydrophobicContact CD1-CG2 3.76Å; I314-I336 PolarHBondContact N-O 3.01Å; V334-I336 WeakPolarHBondContact CG1-O 3.27Å; I336-R338 HydrophobicContact CG2-CG 4.49Å; I336-K361 HydrophobicContact CG2-CB 3.98Å
337	I	98	Very high	95.9	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118	176.9	-57.8	172.2	0	0	0	108.8	W331 V334 I339 K359 L360 K361	W331-I337 HydrophobicContact CE3-CD1 3.83Å; W331-I337 HydrophobicContact CE3-CG1 4.24Å; W331-I337 HydrophobicContact CZ3-CD1 4.36Å; W331-I337 HydrophobicContact CZ3-CG1 4.38Å; W331-I337 HydrophobicContact CZ3-CG2 4.38Å; V334-I337 HydrophobicContact CB-CG1 4.27Å; V334-I337 HydrophobicContact CG1-CD1 4.46Å; V334-I337 HydrophobicContact CG1-CG1 3.65Å; I337-I339 HydrophobicContact CG2-CD1 4.34Å; I337-I339 HydrophobicContact CG2-CG1 4.26Å; I337-I339 HydrophobicContact CG2-CG2 3.74Å; I337-K359 HydrophobicContact CD1-CB 4.02Å; I337-K359 HydrophobicContact CD1-CD 4.4Å; I337-K359 HydrophobicContact CG1-CB 4.28Å; I337-K359 PolarHBondContact N-O 2.64Å; I337-L360 HydrophobicContact CB-CD2 4.04Å; I337-L360 HydrophobicContact CG2-CD2 3.73Å; I337-L360 WeakPolarHBondContact O-CA 3.44Å; I337-K361 PolarHBondContact O-N 3.23Å
338	R	98.4	Very high	96	Very high	81 Å²	81	37.4 Å²	37.4	31%	0.306	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.6	170.9	-74.9	175.8	177.5	-166	-3	109.2	I314 D315 F316 S317 I336 K361	I314-R338 PolarHBondContact O-N 2.96Å; D315-R338 CarbonylContact C-O 3.59Å; D315-R338 WeakPolarHBondContact CA-O 3.48Å; D315-R338 HydrophobicContact CB-CB 4.03Å; D315-R338 WeakPolarHBondContact OD1-CB 3.22Å; D315-R338 WeakPolarHBondContact OD2-CD 3.17Å; D315-R338 IonicContact OD2-NH1 3.71Å; D315-R338 PolarHBondContact OD2-NH1 3.15Å; F316-R338 CarbonylContact C-O 3.51Å; F316-R338 PolarHBondContact N-O 3.04Å; S317-R338 PolarHBondContact N-O 3.29Å; I336-R338 HydrophobicContact CG2-CG 4.49Å; R338-K361 HydrophobicContact CG-CB 3.76Å; R338-K361 HydrophobicContact CG-CG 4.28Å
339	I	97.8	Very high	95.9	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.211	C	C	.	.			trans	-140.7	12.2	-179	62.2	172.4	0	0	0	110.5	F316 L324 I337 N342 W344 L353 L360 V364	F316-I339 HydrophobicContact CB-CG2 4.26Å; F316-I339 HydrophobicContact CD2-CG2 4.48Å; L324-I339 HydrophobicContact CD2-CD1 4.41Å; L324-I339 HydrophobicContact CD2-CG2 4.06Å; I337-I339 HydrophobicContact CG2-CD1 4.34Å; I337-I339 HydrophobicContact CG2-CG1 4.26Å; I337-I339 HydrophobicContact CG2-CG2 3.74Å; I339-N342 PolarHBondContact O-ND2 3.18Å; I339-W344 HydrophobicContact CB-CZ2 3.71Å; I339-W344 HydrophobicContact CD1-CZ2 4.5Å; I339-W344 HydrophobicContact CG1-CZ2 4.42Å; I339-W344 HydrophobicContact CG2-CZ2 4.49Å; I339-W344 VanDerWaalsContact O-CE2 3.28Å; I339-W344 VanDerWaalsContact O-CZ2 3.32Å; I339-W344 WeakPolarHBondContact O-CZ2 3.32Å; I339-W344 PolarHBondContact O-NE1 3.3Å; I339-L353 HydrophobicContact CD1-CD1 3.43Å; I339-L353 VanDerWaalsContact CD1-CD1 3.43Å; I339-L353 HydrophobicContact CD1-CD2 3.72Å; I339-L353 HydrophobicContact CD1-CG 4.28Å; I339-L360 HydrophobicContact CD1-CD2 3.87Å; I339-L360 HydrophobicContact CG1-CD2 3.92Å; I339-V364 HydrophobicContact CD1-CG1 4.27Å; I339-V364 HydrophobicContact CD1-CG2 3.97Å; I339-V364 HydrophobicContact CG1-CG1 4.29Å; I339-V364 HydrophobicContact CG1-CG2 3.51Å
340	D	97.7	Very high	95.9	Very high	18 Å²	18	41 Å²	41	10%	0.096	21%	0.211	C	C	.	.			trans	-63.1	169	176.4	58.1	-75	0	0	0	112	S317 N318 N342 E362	S317-D340 VanDerWaalsContact CA-O 3.29Å; S317-D340 WeakPolarHBondContact CA-O 3.36Å; S317-D340 WeakPolarHBondContact CB-OD1 3.32Å; N318-D340 PolarHBondContact N-O 2.99Å; D340-N342 PolarHBondContact O-N 3.13Å; D340-N342 PolarHBondContact O-ND2 2.91Å; D340-E362 HydrophobicContact CB-CB 3.75Å
341	N	97.7	Very high	96	Very high	113 Å²	113	42.2 Å²	42.2	60%	0.604	22%	0.219	S	C	*	.	S	Bend	trans	54	53.1	178.1	-61.4	-47.7	0	0	0	113.4	N318 N319	N318-N341 CarbonylContact C-O 3.59Å; N318-N341 WeakPolarHBondContact CA-O 3.25Å; N318-N341 HydrophobicContact CB-CB 4.32Å; N318-N341 PolarHBondContact N-O 3.22Å; N319-N341 PolarHBondContact N-O 2.82Å; N319-N341 VanDerWaalsContact O-O 3.13Å
342	N	98.2	Very high	96	Very high	15 Å²	15	43.6 Å²	43.6	8%	0.08	22%	0.224	C	C	.	.	S	Bend	trans	-135.7	172.3	177.2	-87.7	-81.5	0	0	0	110.1	F316 N319 L321 I339 D340 W344	F316-N342 PolarHBondContact O-ND2 3.25Å; N319-N342 WeakPolarHBondContact CA-OD1 3.39Å; N319-N342 VanDerWaalsContact CB-OD1 3.23Å; N319-N342 WeakPolarHBondContact CB-OD1 3.4Å; N319-N342 PolarHBondContact O-OD1 2.95Å; L321-N342 HydrophobicContact CB-CB 4.48Å; L321-N342 VanDerWaalsContact CB-OD1 3.22Å; L321-N342 WeakPolarHBondContact CB-OD1 3.34Å; L321-N342 WeakPolarHBondContact CG-OD1 3.45Å; L321-N342 PolarHBondContact N-OD1 2.77Å; I339-N342 PolarHBondContact O-ND2 3.18Å; D340-N342 PolarHBondContact O-N 3.13Å; D340-N342 PolarHBondContact O-ND2 2.91Å; N342-W344 VanDerWaalsContact C-N 3.35Å; N342-W344 HydrophobicContact CB-CD2 4.05Å; N342-W344 HydrophobicContact CB-CG 4.32Å; N342-W344 HydrophobicContact CB-CH2 4.39Å; N342-W344 HydrophobicContact CB-CZ2 3.53Å; N342-W344 VanDerWaalsContact CB-NE1 3.34Å; N342-W344 PolarHBondContact O-N 3.05Å
343	M	97.4	Very high	96.1	Very high	113 Å²	113	36.4 Å²	36.4	56%	0.557	19%	0.193	S	C	*	.			trans	-95.9	45.3	-176.1	-64.2	-65.7	172.9	0	0	112.6	L321 S322 T345 A367	L321-M343 CarbonylContact O-C 3.41Å; L321-M343 VanDerWaalsContact O-C 3.22Å; L321-M343 VanDerWaalsContact O-CA 3.32Å; L321-M343 WeakPolarHBondContact O-CA 3.45Å; L321-M343 PolarHBondContact O-N 3.11Å; S322-M343 VanDerWaalsContact CA-O 3.28Å; S322-M343 WeakPolarHBondContact CA-O 3.35Å; S322-M343 WeakPolarHBondContact CB-O 3.27Å; M343-T345 PolarHBondContact O-N 2.92Å; M343-A367 HydrophobicContact CB-CB 4.3Å; M343-A367 HydrophobicContact SD-CB 4.24Å
344	W	97.4	Very high	96.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.			trans	-57.2	130.1	-170.3	-62.7	118.4	0	0	0	114.1	L321 L324 I339 N342 L350 V364 A367 A368	L321-W344 HydrophobicContact CB-CH2 3.54Å; L321-W344 HydrophobicContact CB-CZ2 4.24Å; L321-W344 HydrophobicContact CB-CZ3 3.74Å; L321-W344 HydrophobicContact CD1-CH2 3.83Å; L321-W344 HydrophobicContact CD1-CZ2 4.49Å; L321-W344 HydrophobicContact CG-CH2 4.33Å; L324-W344 HydrophobicContact CB-CH2 4.02Å; L324-W344 HydrophobicContact CB-CZ3 3.72Å; L324-W344 HydrophobicContact CD2-CH2 4.43Å; I339-W344 HydrophobicContact CB-CZ2 3.71Å; I339-W344 HydrophobicContact CD1-CZ2 4.5Å; I339-W344 HydrophobicContact CG1-CZ2 4.42Å; I339-W344 HydrophobicContact CG2-CZ2 4.49Å; I339-W344 VanDerWaalsContact O-CE2 3.28Å; I339-W344 VanDerWaalsContact O-CZ2 3.32Å; I339-W344 WeakPolarHBondContact O-CZ2 3.32Å; I339-W344 PolarHBondContact O-NE1 3.3Å; N342-W344 VanDerWaalsContact C-N 3.35Å; N342-W344 HydrophobicContact CB-CD2 4.05Å; N342-W344 HydrophobicContact CB-CG 4.32Å; N342-W344 HydrophobicContact CB-CH2 4.39Å; N342-W344 HydrophobicContact CB-CZ2 3.53Å; N342-W344 VanDerWaalsContact CB-NE1 3.34Å; N342-W344 PolarHBondContact O-N 3.05Å; W344-L350 HydrophobicContact CB-CD2 3.8Å; W344-L350 HydrophobicContact CD2-CD2 4.46Å; W344-L350 HydrophobicContact CE3-CD1 4.23Å; W344-L350 HydrophobicContact CE3-CD2 4.47Å; W344-L350 HydrophobicContact CG-CD2 4.21Å; W344-V364 HydrophobicContact CG-CG1 4.15Å; W344-A367 PolarHBondContact O-N 3.03Å; W344-A368 PolarHBondContact O-N 3.01Å; W344-A368 VanDerWaalsContact O-N 3.13Å
345	T	96.7	Very high	96	Very high	25 Å²	25	39.1 Å²	39.1	15%	0.153	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-91.4	108.7	165.6	-55.5	0	0	0	0	108.2	S322 M343 D347 A368	S322-T345 PolarHBondContact O-N 3.18Å; M343-T345 PolarHBondContact O-N 2.92Å; T345-D347 HydrophobicContact CG2-CB 4.2Å; T345-D347 WeakPolarHBondContact CG2-OD2 3.25Å; T345-D347 PolarHBondContact O-N 3.28Å; T345-A368 CarbonylContact C-O 3.58Å; T345-A368 WeakPolarHBondContact CA-O 3.22Å; T345-A368 HydrophobicContact CG2-CB 4.02Å
346	C	96.1	Very high	95.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	21%	0.213	C	C	.	.			trans	-82.5	63.1	179.7	-67.8	0	0	0	0	111.3	C366 A368 L372 L380 F385	C346-C366 HydrophobicContact CB-CB 3.76Å; C346-C366 WeakPolarHBondContact CB-SG 2.98Å; C346-C366 VanDerWaalsContact SG-CA 3.52Å; C346-C366 WeakPolarHBondContact SG-CB 3.36Å; C346-C366 CovalentContact SG-SG 2.01Å; C346-C366 PolarHBondContact SG-SG 3.13Å; C346-A368 PolarHBondContact N-O 3Å; C346-L372 HydrophobicContact CB-CD1 4.05Å; C346-L380 HydrophobicContact CB-CD1 4.22Å; C346-F385 HydrophobicContact CB-CD1 4.16Å; C346-F385 HydrophobicContact CB-CE1 3.92Å
347	D	94.4	Very high	95.6	Very high	17 Å²	17	39 Å²	39	9%	0.091	21%	0.212	C	C	.	.	S	Bend	trans	-102.3	-168.8	171.1	62.3	20.8	0	0	0	110.7	T345 D349 L350 S351 F385	T345-D347 HydrophobicContact CG2-CB 4.2Å; T345-D347 WeakPolarHBondContact CG2-OD2 3.25Å; T345-D347 PolarHBondContact O-N 3.28Å; D347-D349 PolarHBondContact O-N 3.26Å; D347-D349 WeakPolarHBondContact OD1-CB 3.32Å; D347-D349 PolarHBondContact OD1-N 3.01Å; D347-L350 PolarHBondContact O-N 3.18Å; D347-L350 VanDerWaalsContact O-N 3.13Å; D347-S351 PolarHBondContact O-N 3.49Å; D347-F385 WeakPolarHBondContact O-CB 2.98Å; D347-F385 VanDerWaalsContact O-CD1 3.26Å; D347-F385 WeakPolarHBondContact O-CD1 3.16Å
348	C	93.4	Very high	95.5	Very high	51 Å²	51	44.5 Å²	44.5	35%	0.345	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-63.1	-23.9	-177.3	72.6	0	0	0	0	113.8	L350 S351 F385 C387	C348-L350 PolarHBondContact O-N 3.27Å; C348-S351 PolarHBondContact O-N 3.29Å; C348-S351 PolarHBondContact O-OG 3.13Å; C348-F385 WeakPolarHBondContact CA-O 3.39Å; C348-C387 VanDerWaalsContact CA-SG 3.6Å; C348-C387 HydrophobicContact CB-CB 3.93Å; C348-C387 WeakPolarHBondContact CB-SG 3.41Å; C348-C387 PolarHBondContact N-SG 3.05Å; C348-C387 WeakPolarHBondContact SG-CB 3.28Å; C348-C387 CovalentContact SG-SG 2.02Å; C348-C387 PolarHBondContact SG-SG 2.86Å
349	D	91.5	Very high	95.4	Very high	79 Å²	79	42.9 Å²	42.9	42%	0.422	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-69.1	-22.5	178.7	-68.1	-16.1	0	0	0	111.4	R323 D347 W352	R323-D349 IonicContact CZ-OD2 4Å; R323-D349 IonicContact NH1-OD2 2.68Å; D347-D349 PolarHBondContact O-N 3.26Å; D347-D349 WeakPolarHBondContact OD1-CB 3.32Å; D347-D349 PolarHBondContact OD1-N 3.01Å; D349-W352 PolarHBondContact O-NE1 3.26Å
350	L	95	Very high	95.4	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-100.4	-1.9	179.8	-157.2	64.3	0	0	0	113.1	L324 W344 D347 C348 W352 L353 I377	L324-L350 HydrophobicContact CB-CD1 4.38Å; W344-L350 HydrophobicContact CB-CD2 3.8Å; W344-L350 HydrophobicContact CD2-CD2 4.46Å; W344-L350 HydrophobicContact CE3-CD1 4.23Å; W344-L350 HydrophobicContact CE3-CD2 4.47Å; W344-L350 HydrophobicContact CG-CD2 4.21Å; D347-L350 PolarHBondContact O-N 3.18Å; D347-L350 VanDerWaalsContact O-N 3.13Å; C348-L350 PolarHBondContact O-N 3.27Å; L350-W352 PolarHBondContact O-N 2.7Å; L350-L353 HydrophobicContact CD1-CD1 3.42Å; L350-L353 VanDerWaalsContact CD1-CD1 3.42Å; L350-L353 HydrophobicContact CD1-CG 4.18Å; L350-L353 HydrophobicContact CD2-CD1 4.31Å; L350-L353 HydrophobicContact CG-CD1 3.71Å; L350-L353 HydrophobicContact CG-CG 4.46Å; L350-L353 PolarHBondContact O-N 3.01Å; L350-I377 HydrophobicContact CD2-CD1 4.45Å
351	S	94.3	Very high	95.3	Very high	40 Å²	40	49 Å²	49	28%	0.28	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-63.6	-27	-173.8	70.2	0	0	0	0	113.5	D347 C348 L353 K354	D347-S351 PolarHBondContact O-N 3.49Å; C348-S351 PolarHBondContact O-N 3.29Å; C348-S351 PolarHBondContact O-OG 3.13Å; S351-L353 PolarHBondContact O-N 3.26Å; S351-K354 WeakPolarHBondContact O-CB 3.33Å; S351-K354 PolarHBondContact O-N 3.21Å; S351-K354 VanDerWaalsContact O-N 3.13Å
352	W	94.5	Very high	95.3	Very high	34 Å²	34	48 Å²	48	13%	0.129	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-60.3	-27.9	-180	68.1	-93	0	0	0	112.8	L324 A326 W331 D349 L350 K354 G355 Y356	L324-W352 HydrophobicContact CB-CZ2 4.36Å; L324-W352 HydrophobicContact CD2-CH2 4.14Å; L324-W352 HydrophobicContact CD2-CZ2 3.81Å; L324-W352 HydrophobicContact CG-CZ2 3.94Å; L324-W352 PolarHBondContact O-NE1 3.28Å; A326-W352 HydrophobicContact CB-CB 4.11Å; A326-W352 HydrophobicContact CB-CD2 4.18Å; A326-W352 HydrophobicContact CB-CG 3.7Å; W331-W352 HydrophobicContact CB-CZ3 3.88Å; W331-W352 AromaticContact CD1-CE3 3.89Å; W331-W352 AromaticContact CD1-CH2 3.68Å; W331-W352 AromaticContact CD1-CZ3 3.41Å; W331-W352 VanDerWaalsContact CD1-CZ3 3.41Å; W331-W352 AromaticContact CD2-CH2 3.43Å; W331-W352 HydrophobicContact CD2-CH2 3.43Å; W331-W352 VanDerWaalsContact CD2-CH2 3.43Å; W331-W352 HydrophobicContact CD2-CZ2 4.47Å; W331-W352 AromaticContact CD2-CZ3 3.58Å; W331-W352 HydrophobicContact CD2-CZ3 3.58Å; W331-W352 AromaticContact CE2-CH2 3.25Å; W331-W352 AromaticContact CE2-CZ2 3.89Å; W331-W352 AromaticContact CE2-CZ3 3.81Å; W331-W352 HydrophobicContact CE3-CH2 4.03Å; W331-W352 HydrophobicContact CE3-CZ3 4.29Å; W331-W352 HydrophobicContact CG-CE3 4.14Å; W331-W352 AromaticContact CG-CH2 3.71Å; W331-W352 HydrophobicContact CG-CH2 3.71Å; W331-W352 AromaticContact CG-CZ3 3.33Å; W331-W352 HydrophobicContact CG-CZ3 3.33Å; W331-W352 HydrophobicContact CH2-CH2 4.29Å; W331-W352 AromaticContact CZ2-CH2 3.73Å; W331-W352 HydrophobicContact CZ2-CH2 3.73Å; W331-W352 HydrophobicContact CZ2-CZ2 4.14Å; W331-W352 HydrophobicContact CZ3-CH2 4.42Å; W331-W352 AromaticContact NE1-CH2 3.4Å; W331-W352 AromaticContact NE1-CZ2 3.8Å; W331-W352 AromaticContact NE1-CZ3 3.68Å; D349-W352 PolarHBondContact O-NE1 3.26Å; L350-W352 PolarHBondContact O-N 2.7Å; W352-K354 PolarHBondContact O-N 3.38Å; W352-K354 VanDerWaalsContact O-N 3.12Å; W352-G355 PolarHBondContact O-N 2.65Å; W352-Y356 AromaticContact CE3-CD2 3.56Å; W352-Y356 HydrophobicContact CE3-CD2 3.56Å; W352-Y356 AromaticContact CE3-CE2 3.87Å; W352-Y356 HydrophobicContact CE3-CE2 3.87Å; W352-Y356 AromaticContact CZ3-CD2 3.78Å; W352-Y356 HydrophobicContact CZ3-CD2 3.78Å; W352-Y356 HydrophobicContact CZ3-CE2 4.27Å
353	L	94.9	Very high	95.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-60.1	-24	177.3	-79.3	178.8	0	0	0	112.7	I339 L350 S351 G355 Y356 Q357 L360 I377	I339-L353 HydrophobicContact CD1-CD1 3.43Å; I339-L353 VanDerWaalsContact CD1-CD1 3.43Å; I339-L353 HydrophobicContact CD1-CD2 3.72Å; I339-L353 HydrophobicContact CD1-CG 4.28Å; L350-L353 HydrophobicContact CD1-CD1 3.42Å; L350-L353 VanDerWaalsContact CD1-CD1 3.42Å; L350-L353 HydrophobicContact CD1-CG 4.18Å; L350-L353 HydrophobicContact CD2-CD1 4.31Å; L350-L353 HydrophobicContact CG-CD1 3.71Å; L350-L353 HydrophobicContact CG-CG 4.46Å; L350-L353 PolarHBondContact O-N 3.01Å; S351-L353 PolarHBondContact O-N 3.26Å; L353-G355 PolarHBondContact O-N 2.65Å; L353-Y356 CarbonylContact O-C 3.4Å; L353-Y356 PolarHBondContact O-N 2.82Å; L353-Q357 PolarHBondContact O-N 3.42Å; L353-L360 HydrophobicContact CD2-CD2 4.39Å; L353-I377 HydrophobicContact CB-CD1 3.88Å; L353-I377 HydrophobicContact CD1-CD1 3.4Å; L353-I377 HydrophobicContact CG-CD1 4.29Å
354	K	93.5	Very high	95.1	Very high	29 Å²	29	45.9 Å²	45.9	13%	0.126	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-60.2	-34.2	173.6	-78.3	-76	163.5	-175	0	112.8	S351 W352 Y356 I377 D378 L380 V382 F385	S351-K354 WeakPolarHBondContact O-CB 3.33Å; S351-K354 PolarHBondContact O-N 3.21Å; S351-K354 VanDerWaalsContact O-N 3.13Å; W352-K354 PolarHBondContact O-N 3.38Å; W352-K354 VanDerWaalsContact O-N 3.12Å; K354-Y356 PolarHBondContact O-N 2.93Å; K354-I377 HydrophobicContact CD-CG2 4.12Å; K354-I377 HydrophobicContact CG-CG2 4.4Å; K354-D378 PolarHBondContact NZ-O 3.04Å; K354-L380 WeakPolarHBondContact CE-O 3.27Å; K354-L380 PolarHBondContact NZ-O 3Å; K354-V382 HydrophobicContact CB-CG2 4.39Å; K354-V382 HydrophobicContact CG-CG2 4.5Å; K354-F385 HydrophobicContact CD-CE2 4.15Å; K354-F385 HydrophobicContact CG-CD2 4.36Å; K354-F385 HydrophobicContact CG-CE2 3.52Å; K354-F385 HydrophobicContact CG-CZ 3.99Å
355	G	93.9	Very high	95.1	Very high	63 Å²	63	52 Å²	52	65%	0.649	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-70.3	-17.4	176	0	0	0	0	0	114	W352 L353	W352-G355 PolarHBondContact O-N 2.65Å; L353-G355 PolarHBondContact O-N 2.65Å
356	Y	95.1	Very high	95.2	Very high	66 Å²	66	50.9 Å²	50.9	26%	0.259	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-123.4	17.5	-175.5	-57.4	-73	0	0	0	113.2	W331 K332 W352 L353 K354 S358 K359	W331-Y356 HydrophobicContact CB-CD2 4.1Å; W331-Y356 HydrophobicContact CB-CE1 4.33Å; W331-Y356 HydrophobicContact CB-CE2 3.85Å; W331-Y356 HydrophobicContact CB-CG 4.4Å; K332-Y356 HydrophobicContact CB-CE1 4.07Å; W352-Y356 AromaticContact CE3-CD2 3.56Å; W352-Y356 HydrophobicContact CE3-CD2 3.56Å; W352-Y356 AromaticContact CE3-CE2 3.87Å; W352-Y356 HydrophobicContact CE3-CE2 3.87Å; W352-Y356 AromaticContact CZ3-CD2 3.78Å; W352-Y356 HydrophobicContact CZ3-CD2 3.78Å; W352-Y356 HydrophobicContact CZ3-CE2 4.27Å; L353-Y356 CarbonylContact O-C 3.4Å; L353-Y356 PolarHBondContact O-N 2.82Å; K354-Y356 PolarHBondContact O-N 2.93Å; Y356-S358 PolarHBondContact O-N 3Å; Y356-S358 VanDerWaalsContact O-N 3.16Å; Y356-K359 HydrophobicContact CD1-CD 4.05Å; Y356-K359 WeakPolarHBondContact O-CB 3.05Å; Y356-K359 PolarHBondContact O-N 2.84Å
357	Q	92.9	Very high	95.2	Very high	70 Å²	70	52.6 Å²	52.6	33%	0.327	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-61.3	-28.3	-174.6	65.8	174.2	31.6	0	0	113.6	L353 K359 L360 D378	L353-Q357 PolarHBondContact O-N 3.42Å; Q357-K359 PolarHBondContact O-N 2.82Å; Q357-L360 HydrophobicContact CB-CD1 4.32Å; Q357-L360 WeakPolarHBondContact O-CB 3.03Å; Q357-L360 PolarHBondContact O-N 3.22Å; Q357-D378 PolarHBondContact NE2-OD1 2.92Å
358	S	95	Very high	95.2	Very high	116 Å²	116	53.2 Å²	53.2	81%	0.811	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-67.8	-15.5	175.1	55.4	0	0	0	0	114	Y356	Y356-S358 PolarHBondContact O-N 3Å; Y356-S358 VanDerWaalsContact O-N 3.16Å
359	K	96.6	Very high	95.3	Very high	48 Å²	48	53 Å²	53	21%	0.209	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-94.8	-8.4	177.9	-57.2	-178.7	168.8	-159	0	113	W331 K332 V334 I337 Y356 Q357 K361	W331-K359 PolarHBondContact O-NZ 2.58Å; K332-K359 VanDerWaalsContact C-NZ 3.29Å; K332-K359 PolarHBondContact O-NZ 3.21Å; V334-K359 VanDerWaalsContact O-CD 3.29Å; V334-K359 WeakPolarHBondContact O-CD 3.47Å; V334-K359 WeakPolarHBondContact O-CE 3.26Å; V334-K359 PolarHBondContact O-NZ 3.04Å; I337-K359 HydrophobicContact CD1-CB 4.02Å; I337-K359 HydrophobicContact CD1-CD 4.4Å; I337-K359 HydrophobicContact CG1-CB 4.28Å; I337-K359 PolarHBondContact N-O 2.64Å; Y356-K359 HydrophobicContact CD1-CD 4.05Å; Y356-K359 WeakPolarHBondContact O-CB 3.05Å; Y356-K359 PolarHBondContact O-N 2.84Å; Q357-K359 PolarHBondContact O-N 2.82Å; K359-K361 PolarHBondContact O-N 2.02Å
360	L	96.9	Very high	95.4	Very high	30 Å²	30	57.5 Å²	57.5	16%	0.157	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-73.3	122.9	177.8	-64.3	174.3	0	0	0	109.3	I337 I339 L353 Q357 V364	I337-L360 HydrophobicContact CB-CD2 4.04Å; I337-L360 HydrophobicContact CG2-CD2 3.73Å; I337-L360 WeakPolarHBondContact O-CA 3.44Å; I339-L360 HydrophobicContact CD1-CD2 3.87Å; I339-L360 HydrophobicContact CG1-CD2 3.92Å; L353-L360 HydrophobicContact CD2-CD2 4.39Å; Q357-L360 HydrophobicContact CB-CD1 4.32Å; Q357-L360 WeakPolarHBondContact O-CB 3.03Å; Q357-L360 PolarHBondContact O-N 3.22Å; L360-V364 HydrophobicContact CD1-CB 4.47Å; L360-V364 HydrophobicContact CD1-CG2 3.84Å; L360-V364 HydrophobicContact CD2-CG2 3.94Å; L360-V364 HydrophobicContact CG-CG2 4.37Å
361	K	96.3	Very high	95.4	Very high	118 Å²	118	66.9 Å²	66.9	51%	0.513	36%	0.355	S	S	.	.	S	Bend	trans	-73.7	-37.1	-178.7	-177.2	57.5	-176.9	173.6	0	112.7	I336 I337 R338 K359	I336-K361 HydrophobicContact CG2-CB 3.98Å; I337-K361 PolarHBondContact O-N 3.23Å; R338-K361 HydrophobicContact CG-CB 3.76Å; R338-K361 HydrophobicContact CG-CG 4.28Å; K359-K361 PolarHBondContact O-N 2.02Å
362	E	96.5	Very high	95.5	Very high	92 Å²	92	66 Å²	66	43%	0.43	35%	0.346	S	S	.	.	S	Bend	trans	-128.5	156.4	-176	-64.3	-59.4	153.8	0	0	110.7	D340 V364	D340-E362 HydrophobicContact CB-CB 3.75Å; E362-V364 PolarHBondContact O-N 2.99Å
363	P	95.7	Very high	95.6	Very high	81 Å²	81	72.1 Å²	72.1	53%	0.526	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-63.8	122.7	179.7	-20.8	32.5	0	0	0	112.9	T376	P363-T376 HydrophobicContact CB-CG2 3.91Å
364	V	96.9	Very high	95.6	Very high	2 Å²	2	76.9 Å²	76.9	1%	0.012	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-91.5	116.1	178.4	-177.6	0	0	0	0	109.6	I339 W344 L360 E362 T376 I377	I339-V364 HydrophobicContact CD1-CG1 4.27Å; I339-V364 HydrophobicContact CD1-CG2 3.97Å; I339-V364 HydrophobicContact CG1-CG1 4.29Å; I339-V364 HydrophobicContact CG1-CG2 3.51Å; W344-V364 HydrophobicContact CG-CG1 4.15Å; L360-V364 HydrophobicContact CD1-CB 4.47Å; L360-V364 HydrophobicContact CD1-CG2 3.84Å; L360-V364 HydrophobicContact CD2-CG2 3.94Å; L360-V364 HydrophobicContact CG-CG2 4.37Å; E362-V364 PolarHBondContact O-N 2.99Å; V364-T376 CarbonylContact O-C 3.55Å; V364-T376 WeakPolarHBondContact O-CA 3.41Å; V364-I377 HydrophobicContact CB-CB 4.49Å; V364-I377 HydrophobicContact CB-CD1 3.79Å; V364-I377 HydrophobicContact CB-CG1 3.99Å; V364-I377 HydrophobicContact CG1-CD1 3.54Å; V364-I377 HydrophobicContact CG1-CG1 4.02Å; V364-I377 PolarHBondContact O-N 3.26Å
365	R	97.3	Very high	95.7	Very high	129 Å²	129	80.7 Å²	80.7	49%	0.487	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-99.8	143.5	-177.9	-65.6	-179.6	-175	-76.3	-2.8	112.3	N374 R375 T376	R365-N374 PolarHBondContact NH1-O 2.9Å; R365-R375 WeakPolarHBondContact CA-O 3.42Å; R365-T376 HydrophobicContact CG-CG2 3.86Å
366	C	97.5	Very high	95.8	Very high	1 Å²	1	78.4 Å²	78.4	1%	0.007	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-79.9	132.1	173.4	-54.3	0	0	0	0	110.9	C346 L372 R373 N374 R375 L380	C346-C366 HydrophobicContact CB-CB 3.76Å; C346-C366 WeakPolarHBondContact CB-SG 2.98Å; C346-C366 VanDerWaalsContact SG-CA 3.52Å; C346-C366 WeakPolarHBondContact SG-CB 3.36Å; C346-C366 CovalentContact SG-SG 2.01Å; C346-C366 PolarHBondContact SG-SG 3.13Å; C366-L372 HydrophobicContact CB-CB 4.17Å; C366-L372 VanDerWaalsContact CB-O 3.31Å; C366-L372 WeakPolarHBondContact CB-O 3.41Å; C366-R373 CarbonylContact O-C 3.55Å; C366-R373 WeakPolarHBondContact O-CA 2.98Å; C366-N374 PolarHBondContact O-N 3.38Å; C366-R375 PolarHBondContact N-O 2.78Å; C366-L380 VanDerWaalsContact SG-CD1 3.54Å
367	A	97.4	Very high	95.8	Very high	36 Å²	36	75.4 Å²	75.4	30%	0.298	37%	0.371	S	S	.	.			trans	-93.1	-32.7	167.9	0	0	0	0	0	111.7	M343 W344	M343-A367 HydrophobicContact CB-CB 4.3Å; M343-A367 HydrophobicContact SD-CB 4.24Å; W344-A367 PolarHBondContact O-N 3.03Å
368	A	95.2	Very high	95.7	Very high	31 Å²	31	77.5 Å²	77.5	26%	0.256	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-138	159.9	176.6	0	0	0	0	0	110.9	W344 T345 C346	W344-A368 PolarHBondContact O-N 3.01Å; W344-A368 VanDerWaalsContact O-N 3.13Å; T345-A368 CarbonylContact C-O 3.58Å; T345-A368 WeakPolarHBondContact CA-O 3.22Å; T345-A368 HydrophobicContact CG2-CB 4.02Å; C346-A368 PolarHBondContact N-O 3Å
369	P	95.2	Very high	95.7	Very high	45 Å²	45	76.6 Å²	76.6	29%	0.292	37%	0.367	S	S	.	.	S	Bend	cis	-66	164.2	-13.2	31.3	-36.2	0	0	0	111.6	K371 L372 R373	P369-K371 PolarHBondContact O-N 2.78Å; P369-L372 HydrophobicContact CG-CD1 4.27Å; P369-L372 HydrophobicContact CG-CG 4.16Å; P369-L372 PolarHBondContact O-N 3.27Å; P369-R373 PolarHBondContact O-N 3.33Å
370	E	93.9	Very high	95.6	Very high	174 Å²	174	74.7 Å²	74.7	81%	0.813	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-52.1	-36.2	-175.6	-173.4	176.9	-169.8	0	0	113.6	L372 R373	E370-L372 PolarHBondContact O-N 3.33Å; E370-R373 VanDerWaalsContact O-CB 3.24Å; E370-R373 WeakPolarHBondContact O-CB 3.31Å; E370-R373 PolarHBondContact O-N 3.07Å; E370-R373 VanDerWaalsContact O-N 3.07Å
371	K	94.4	Very high	95.4	Very high	199 Å²	199	81.4 Å²	81.4	87%	0.865	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-59.8	-26	177.2	-63.5	-177	179.7	-178.3	0	114.1	P369	P369-K371 PolarHBondContact O-N 2.78Å
372	L	95.5	Very high	95.1	Very high	21 Å²	21	80.5 Å²	80.5	11%	0.11	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-106.3	3.6	-180	-56.2	-173.7	0	0	0	112	C346 C366 P369 E370 N374 R375 L380 D384	C346-L372 HydrophobicContact CB-CD1 4.05Å; C366-L372 HydrophobicContact CB-CB 4.17Å; C366-L372 VanDerWaalsContact CB-O 3.31Å; C366-L372 WeakPolarHBondContact CB-O 3.41Å; P369-L372 HydrophobicContact CG-CD1 4.27Å; P369-L372 HydrophobicContact CG-CG 4.16Å; P369-L372 PolarHBondContact O-N 3.27Å; E370-L372 PolarHBondContact O-N 3.33Å; L372-N374 PolarHBondContact O-N 2.01Å; L372-R375 WeakPolarHBondContact O-CB 3.35Å; L372-R375 WeakPolarHBondContact O-CG 3.33Å; L372-R375 PolarHBondContact O-N 2.92Å; L372-L380 HydrophobicContact CD1-CD1 4.1Å; L372-L380 HydrophobicContact CD1-CD2 4.31Å; L372-L380 HydrophobicContact CD2-CD2 3.78Å; L372-L380 HydrophobicContact CG-CD2 4.48Å; L372-D384 HydrophobicContact CD1-CB 4.45Å
373	R	96.1	Very high	94.9	Very high	163 Å²	163	81 Å²	81	62%	0.615	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	134.1	-174.5	-171.5	178.1	-178.8	-149.3	-0.2	111.4	C366 P369 E370 R375	C366-R373 CarbonylContact O-C 3.55Å; C366-R373 WeakPolarHBondContact O-CA 2.98Å; P369-R373 PolarHBondContact O-N 3.33Å; E370-R373 VanDerWaalsContact O-CB 3.24Å; E370-R373 WeakPolarHBondContact O-CB 3.31Å; E370-R373 PolarHBondContact O-N 3.07Å; E370-R373 VanDerWaalsContact O-N 3.07Å; R373-R375 PolarHBondContact O-N 3.11Å
374	N	95.9	Very high	94.8	Very high	101 Å²	101	79.5 Å²	79.5	54%	0.54	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	-6.7	-176.8	-64.9	-14.9	0	0	0	116.5	R365 C366 L372	R365-N374 PolarHBondContact NH1-O 2.9Å; C366-N374 PolarHBondContact O-N 3.38Å; L372-N374 PolarHBondContact O-N 2.01Å
375	R	96.4	Very high	94.6	Very high	109 Å²	109	79.9 Å²	79.9	41%	0.411	39%	0.385	S	S	.	.			trans	-63.1	141.1	167.2	-62.8	-73.8	-61.8	-106.4	-10.9	108.6	R365 C366 L372 R373 E379 L380	R365-R375 WeakPolarHBondContact CA-O 3.42Å; C366-R375 PolarHBondContact N-O 2.78Å; L372-R375 WeakPolarHBondContact O-CB 3.35Å; L372-R375 WeakPolarHBondContact O-CG 3.33Å; L372-R375 PolarHBondContact O-N 2.92Å; R373-R375 PolarHBondContact O-N 3.11Å; R375-E379 WeakPolarHBondContact CA-OE2 3.42Å; R375-E379 VanDerWaalsContact CD-OE2 3.27Å; R375-E379 WeakPolarHBondContact CD-OE2 3.36Å; R375-E379 IonicContact CZ-OE2 3.93Å; R375-E379 IonicContact NE-OE2 2.9Å; R375-E379 PolarHBondContact NE-OE2 2.9Å; R375-E379 PolarHBondContact NH2-O 3.09Å; R375-E379 VanDerWaalsContact NH2-O 3.09Å; R375-L380 HydrophobicContact CB-CD2 4.1Å
376	T	96	Very high	94.2	Very high	15 Å²	15	77.7 Å²	77.7	9%	0.092	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-81.3	162	173.5	59.7	0	0	0	0	109.7	P363 V364 R365 E379 L380	P363-T376 HydrophobicContact CB-CG2 3.91Å; V364-T376 CarbonylContact O-C 3.55Å; V364-T376 WeakPolarHBondContact O-CA 3.41Å; R365-T376 HydrophobicContact CG-CG2 3.86Å; T376-E379 PolarHBondContact N-OE2 2.75Å; T376-E379 VanDerWaalsContact N-OE2 3.16Å; T376-E379 VanDerWaalsContact OG1-CG 3.25Å; T376-E379 WeakPolarHBondContact OG1-CG 3.19Å; T376-L380 WeakPolarHBondContact O-CG 3.26Å
377	I	93.5	Very high	93.6	Very high	3 Å²	3	79.4 Å²	79.4	2%	0.015	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-172.5	146.3	-48.8	-175.6	0	0	0	105.9	L350 L353 K354 V364 E379 F385	L350-I377 HydrophobicContact CD2-CD1 4.45Å; L353-I377 HydrophobicContact CB-CD1 3.88Å; L353-I377 HydrophobicContact CD1-CD1 3.4Å; L353-I377 HydrophobicContact CG-CD1 4.29Å; K354-I377 HydrophobicContact CD-CG2 4.12Å; K354-I377 HydrophobicContact CG-CG2 4.4Å; V364-I377 HydrophobicContact CB-CB 4.49Å; V364-I377 HydrophobicContact CB-CD1 3.79Å; V364-I377 HydrophobicContact CB-CG1 3.99Å; V364-I377 HydrophobicContact CG1-CD1 3.54Å; V364-I377 HydrophobicContact CG1-CG1 4.02Å; V364-I377 PolarHBondContact O-N 3.26Å; I377-E379 PolarHBondContact O-N 3.16Å; I377-F385 HydrophobicContact CG2-CZ 4.48Å
378	D	92.2	Very high	92.2	Very high	113 Å²	113	87.8 Å²	87.8	60%	0.604	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	-63.6	-163.4	-154.3	39.7	0	0	0	115.7	K354 Q357 L380	K354-D378 PolarHBondContact NZ-O 3.04Å; Q357-D378 PolarHBondContact NE2-OD1 2.92Å; D378-L380 VanDerWaalsContact C-N 3.31Å; D378-L380 PolarHBondContact O-N 2.86Å
379	E	94.3	Very high	90.3	Very high	98 Å²	98	89.9 Å²	89.9	46%	0.458	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-25.3	176.2	-70	173.9	-178.8	0	0	115.2	R375 T376 I377	R375-E379 WeakPolarHBondContact CA-OE2 3.42Å; R375-E379 VanDerWaalsContact CD-OE2 3.27Å; R375-E379 WeakPolarHBondContact CD-OE2 3.36Å; R375-E379 IonicContact CZ-OE2 3.93Å; R375-E379 IonicContact NE-OE2 2.9Å; R375-E379 PolarHBondContact NE-OE2 2.9Å; R375-E379 PolarHBondContact NH2-O 3.09Å; R375-E379 VanDerWaalsContact NH2-O 3.09Å; T376-E379 PolarHBondContact N-OE2 2.75Å; T376-E379 VanDerWaalsContact N-OE2 3.16Å; T376-E379 VanDerWaalsContact OG1-CG 3.25Å; T376-E379 WeakPolarHBondContact OG1-CG 3.19Å; I377-E379 PolarHBondContact O-N 3.16Å
380	L	94.2	Very high	88.3	Confident	7 Å²	7	94.7 Å²	94.7	4%	0.037	45%	0.448	C	S	.	.	S	Bend	trans	-84	151.6	-178.6	-62.7	176.9	0	0	0	112.6	C346 K354 C366 L372 R375 T376 D378 D384 F385	C346-L380 HydrophobicContact CB-CD1 4.22Å; K354-L380 WeakPolarHBondContact CE-O 3.27Å; K354-L380 PolarHBondContact NZ-O 3Å; C366-L380 VanDerWaalsContact SG-CD1 3.54Å; L372-L380 HydrophobicContact CD1-CD1 4.1Å; L372-L380 HydrophobicContact CD1-CD2 4.31Å; L372-L380 HydrophobicContact CD2-CD2 3.78Å; L372-L380 HydrophobicContact CG-CD2 4.48Å; R375-L380 HydrophobicContact CB-CD2 4.1Å; T376-L380 WeakPolarHBondContact O-CG 3.26Å; D378-L380 VanDerWaalsContact C-N 3.31Å; D378-L380 PolarHBondContact O-N 2.86Å; L380-D384 HydrophobicContact CB-CB 4.39Å; L380-D384 HydrophobicContact CD2-CB 4.22Å; L380-F385 HydrophobicContact CB-CE2 3.89Å; L380-F385 HydrophobicContact CB-CZ 4.12Å; L380-F385 HydrophobicContact CD1-CE1 4.19Å; L380-F385 HydrophobicContact CD1-CE2 4.25Å; L380-F385 HydrophobicContact CD1-CZ 3.78Å
381	R	92.9	Very high	86.2	Confident	171 Å²	171	91.4 Å²	91.4	65%	0.645	43%	0.434	S	S	*	.			trans	-94.8	158.1	166.5	-63.1	180	-62.8	170.2	1.5	109.6	V383 D384 F385	R381-V383 HydrophobicContact CB-CG2 3.84Å; R381-V383 PolarHBondContact O-N 3.07Å; R381-V383 VanDerWaalsContact O-N 3.11Å; R381-D384 PolarHBondContact N-OD2 3.07Å; R381-D384 WeakPolarHBondContact O-CB 3.18Å; R381-D384 PolarHBondContact O-N 3.34Å; R381-F385 WeakPolarHBondContact O-CD2 3.24Å
382	V	90.7	Very high	84.1	Confident	99 Å²	99	85.6 Å²	85.6	60%	0.6	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-54.2	-34.7	177.4	179.2	0	0	0	0	111.7	K354 D384 F385	K354-V382 HydrophobicContact CB-CG2 4.39Å; K354-V382 HydrophobicContact CG-CG2 4.5Å; V382-D384 PolarHBondContact O-N 2.89Å; V382-F385 PolarHBondContact O-N 3.18Å
383	V	91.2	Very high	82	Confident	103 Å²	103	91.2 Å²	91.2	62%	0.624	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-67	-17.8	177.9	-61.8	0	0	0	0	114.7	R381 F385	R381-V383 HydrophobicContact CB-CG2 3.84Å; R381-V383 PolarHBondContact O-N 3.07Å; R381-V383 VanDerWaalsContact O-N 3.11Å; V383-F385 VanDerWaalsContact C-N 3.32Å
384	D	93.4	Very high	80.2	Confident	49 Å²	49	86.2 Å²	86.2	26%	0.262	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-77.6	-21.9	-179.6	-58.3	-35.5	0	0	0	111.4	L372 L380 R381 V382 N386	L372-D384 HydrophobicContact CD1-CB 4.45Å; L380-D384 HydrophobicContact CB-CB 4.39Å; L380-D384 HydrophobicContact CD2-CB 4.22Å; R381-D384 PolarHBondContact N-OD2 3.07Å; R381-D384 WeakPolarHBondContact O-CB 3.18Å; R381-D384 PolarHBondContact O-N 3.34Å; V382-D384 PolarHBondContact O-N 2.89Å; D384-N386 PolarHBondContact O-N 2.84Å
385	F	93.1	Very high	78.6	Confident	11 Å²	11	86.9 Å²	86.9	5%	0.048	44%	0.437	C	S	.	.			trans	-82	75	178.1	-64.3	-87.3	0	0	0	111.6	C346 D347 C348 K354 I377 L380 R381 V382 V383	C346-F385 HydrophobicContact CB-CD1 4.16Å; C346-F385 HydrophobicContact CB-CE1 3.92Å; D347-F385 WeakPolarHBondContact O-CB 2.98Å; D347-F385 VanDerWaalsContact O-CD1 3.26Å; D347-F385 WeakPolarHBondContact O-CD1 3.16Å; C348-F385 WeakPolarHBondContact CA-O 3.39Å; K354-F385 HydrophobicContact CD-CE2 4.15Å; K354-F385 HydrophobicContact CG-CD2 4.36Å; K354-F385 HydrophobicContact CG-CE2 3.52Å; K354-F385 HydrophobicContact CG-CZ 3.99Å; I377-F385 HydrophobicContact CG2-CZ 4.48Å; L380-F385 HydrophobicContact CB-CE2 3.89Å; L380-F385 HydrophobicContact CB-CZ 4.12Å; L380-F385 HydrophobicContact CD1-CE1 4.19Å; L380-F385 HydrophobicContact CD1-CE2 4.25Å; L380-F385 HydrophobicContact CD1-CZ 3.78Å; R381-F385 WeakPolarHBondContact O-CD2 3.24Å; V382-F385 PolarHBondContact O-N 3.18Å; V383-F385 VanDerWaalsContact C-N 3.32Å
386	N	88.4	Confident	77.2	Confident	82 Å²	82	84.5 Å²	84.5	44%	0.439	44%	0.44	S	S	.	.			trans	-111.6	121.3	-172.5	-168	-1.6	0	0	0	112.9	D384 R388	D384-N386 PolarHBondContact O-N 2.84Å; N386-R388 WeakPolarHBondContact OD1-CB 3.43Å; N386-R388 VanDerWaalsContact OD1-CG 3.26Å; N386-R388 WeakPolarHBondContact OD1-CG 3.44Å; N386-R388 PolarHBondContact OD1-N 3.35Å
387	C	85.4	Confident	76.1	Confident	37 Å²	37	92 Å²	92	25%	0.25	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-10.9	173	-74.7	0	0	0	0	114.4	C348 S389 F390	C348-C387 VanDerWaalsContact CA-SG 3.6Å; C348-C387 HydrophobicContact CB-CB 3.93Å; C348-C387 WeakPolarHBondContact CB-SG 3.41Å; C348-C387 PolarHBondContact N-SG 3.05Å; C348-C387 WeakPolarHBondContact SG-CB 3.28Å; C348-C387 CovalentContact SG-SG 2.02Å; C348-C387 PolarHBondContact SG-SG 2.86Å; C387-S389 PolarHBondContact O-N 3.05Å; C387-F390 PolarHBondContact O-N 3.09Å
388	R	69	Low	75.3	Confident	212 Å²	212	97.8 Å²	97.8	80%	0.8	50%	0.495	S	S	*	.	H	α-helix	trans	-63.7	-11.9	-174.2	-69.8	-177.2	179.1	-158.4	-0	114.3	N386	N386-R388 WeakPolarHBondContact OD1-CB 3.43Å; N386-R388 VanDerWaalsContact OD1-CG 3.26Å; N386-R388 WeakPolarHBondContact OD1-CG 3.44Å; N386-R388 PolarHBondContact OD1-N 3.35Å
389	S	54.7	Low	74.7	Confident	75 Å²	75	96.3 Å²	96.3	52%	0.524	49%	0.49	S	S	.	.	H	α-helix	trans	-83.8	-20.2	-179	50.7	0	0	0	0	114.7	C387	C387-S389 PolarHBondContact O-N 3.05Å
390	F	52.6	Low	74.2	Confident	147 Å²	147	95.5 Å²	95.5	65%	0.645	49%	0.492	S	S	*	.	H	α-helix	trans	-91.2	-28.9	-175.4	-112.4	-89.5	0	0	0	114.4	C387 A392 F393 S394	C387-F390 PolarHBondContact O-N 3.09Å; F390-A392 PolarHBondContact O-N 3.49Å; F390-F393 PolarHBondContact O-N 3.09Å; F390-S394 WeakPolarHBondContact O-CB 3.46Å; F390-S394 PolarHBondContact O-N 3.32Å; F390-S394 VanDerWaalsContact O-N 3.09Å
391	I	50.7	Low	73.8	Confident	105 Å²	105	100.5 Å²	100.5	54%	0.538	52%	0.518	S	S	.	.	H	α-helix	trans	-65.5	-42.5	-178.1	-59.1	178.4	0	0	0	110.2	F393 S394 H395	I391-F393 VanDerWaalsContact C-N 3.34Å; I391-F393 PolarHBondContact O-N 3.48Å; I391-S394 PolarHBondContact O-N 3.47Å; I391-H395 WeakPolarHBondContact CG2-CD2 3.33Å; I391-H395 WeakPolarHBondContact CG2-NE2 3.26Å; I391-H395 WeakPolarHBondContact O-CB 3.29Å; I391-H395 PolarHBondContact O-CD2 2.82Å; I391-H395 PolarHBondContact O-N 3.32Å
392	A	49.5	Very low	73.6	Confident	76 Å²	76	96.2 Å²	96.2	63%	0.628	51%	0.511	S	S	*	.	H	α-helix	trans	-63.4	-36.8	-178.3	0	0	0	0	0	113.5	F390	F390-A392 PolarHBondContact O-N 3.49Å
393	F	51.7	Low	73.6	Confident	139 Å²	139	96.3 Å²	96.3	61%	0.61	51%	0.507	S	S	*	.	H	α-helix	trans	-83.9	-34.1	-177.7	-151.8	-97.6	0	0	0	112.8	F390 I391 R397	F390-F393 PolarHBondContact O-N 3.09Å; I391-F393 VanDerWaalsContact C-N 3.34Å; I391-F393 PolarHBondContact O-N 3.48Å; F393-R397 PolarHBondContact O-N 3.45Å
394	S	58.6	Low	73.7	Confident	58 Å²	58	96.4 Å²	96.4	41%	0.406	50%	0.504	S	S	.	.	H	α-helix	trans	-68	-47.5	175.6	170.7	0	0	0	0	111.9	F390 I391 A396 R397 M398	F390-S394 WeakPolarHBondContact O-CB 3.46Å; F390-S394 PolarHBondContact O-N 3.32Å; F390-S394 VanDerWaalsContact O-N 3.09Å; I391-S394 PolarHBondContact O-N 3.47Å; S394-A396 VanDerWaalsContact C-N 3.35Å; S394-A396 PolarHBondContact O-N 2.83Å; S394-R397 PolarHBondContact O-N 3.22Å; S394-M398 WeakPolarHBondContact O-CB 3.42Å; S394-M398 PolarHBondContact O-N 2.92Å
395	H	61.3	Low	73.5	Confident	116 Å²	116	98.1 Å²	98.1	54%	0.537	52%	0.516	S	S	.	.	H	α-helix	trans	-61.9	-41.6	-179.5	-81.9	-98.8	0	0	0	111.9	I391 R397 M398 V399	I391-H395 WeakPolarHBondContact CG2-CD2 3.33Å; I391-H395 WeakPolarHBondContact CG2-NE2 3.26Å; I391-H395 WeakPolarHBondContact O-CB 3.29Å; I391-H395 PolarHBondContact O-CD2 2.82Å; I391-H395 PolarHBondContact O-N 3.32Å; H395-R397 PolarHBondContact O-N 3.41Å; H395-M398 PolarHBondContact O-N 3.37Å; H395-V399 VanDerWaalsContact O-CB 3.27Å; H395-V399 WeakPolarHBondContact O-CB 3.13Å; H395-V399 WeakPolarHBondContact O-CG2 3.27Å; H395-V399 PolarHBondContact O-N 3.02Å
396	A	67.6	Low	73.5	Confident	58 Å²	58	100.8 Å²	100.8	48%	0.479	54%	0.535	S	S	.	.	H	α-helix	trans	-61	-44.9	176.4	0	0	0	0	0	112	S394 T400	S394-A396 VanDerWaalsContact C-N 3.35Å; S394-A396 PolarHBondContact O-N 2.83Å; A396-T400 PolarHBondContact O-N 3.34Å; A396-T400 PolarHBondContact O-OG1 3.02Å
397	R	73.8	Confident	73.7	Confident	173 Å²	173	102.5 Å²	102.5	65%	0.653	54%	0.544	S	S	*	.	H	α-helix	trans	-67.9	-43	177.3	-82.2	-173.5	162.8	-175.6	-3.7	113	F393 S394 H395 T400 L401	F393-R397 PolarHBondContact O-N 3.45Å; S394-R397 PolarHBondContact O-N 3.22Å; H395-R397 PolarHBondContact O-N 3.41Å; R397-T400 PolarHBondContact O-N 2.83Å; R397-L401 WeakPolarHBondContact O-CB 3.38Å; R397-L401 PolarHBondContact O-N 3.43Å
398	M	74.9	Confident	74	Confident	125 Å²	125	103.5 Å²	103.5	62%	0.616	55%	0.551	S	S	*	*	H	α-helix	trans	-61.4	-46.6	175.7	-91.2	-104.6	-101.7	0	0	111.2	S394 H395 T400 L401 V402	S394-M398 WeakPolarHBondContact O-CB 3.42Å; S394-M398 PolarHBondContact O-N 2.92Å; H395-M398 PolarHBondContact O-N 3.37Å; M398-T400 VanDerWaalsContact C-N 3.34Å; M398-T400 PolarHBondContact O-N 3.39Å; M398-L401 PolarHBondContact O-N 3.46Å; M398-V402 WeakPolarHBondContact O-CB 3.45Å; M398-V402 VanDerWaalsContact O-CG2 3.26Å; M398-V402 WeakPolarHBondContact O-CG2 3.4Å; M398-V402 PolarHBondContact O-N 2.7Å
399	V	80.5	Confident	75.1	Confident	81 Å²	81	95.9 Å²	95.9	49%	0.491	53%	0.531	S	S	.	.	H	α-helix	trans	-60.7	-44.3	176.9	171	0	0	0	0	110.4	H395 L401 V402 L403	H395-V399 VanDerWaalsContact O-CB 3.27Å; H395-V399 WeakPolarHBondContact O-CB 3.13Å; H395-V399 WeakPolarHBondContact O-CG2 3.27Å; H395-V399 PolarHBondContact O-N 3.02Å; V399-L401 PolarHBondContact O-N 3.22Å; V399-V402 PolarHBondContact O-N 2.92Å; V399-L403 HydrophobicContact CG1-CD1 3.83Å; V399-L403 HydrophobicContact CG1-CG 4.32Å; V399-L403 WeakPolarHBondContact O-CB 3.26Å; V399-L403 WeakPolarHBondContact O-CG 3.35Å; V399-L403 PolarHBondContact O-N 3.38Å
400	T	84	Confident	76.9	Confident	81 Å²	81	95 Å²	95	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-62.7	-41.4	175.9	-52.7	0	0	0	0	112.4	A396 R397 M398 L403 L404	A396-T400 PolarHBondContact O-N 3.34Å; A396-T400 PolarHBondContact O-OG1 3.02Å; R397-T400 PolarHBondContact O-N 2.83Å; M398-T400 VanDerWaalsContact C-N 3.34Å; M398-T400 PolarHBondContact O-N 3.39Å; T400-L403 PolarHBondContact O-N 2.8Å; T400-L404 HydrophobicContact CG2-CD1 4.34Å; T400-L404 WeakPolarHBondContact O-CB 3.36Å; T400-L404 VanDerWaalsContact O-CG 3.3Å; T400-L404 WeakPolarHBondContact O-CG 3.41Å; T400-L404 PolarHBondContact O-N 3.02Å
401	L	86.1	Confident	78.7	Confident	112 Å²	112	90.9 Å²	90.9	59%	0.586	52%	0.521	S	S	*	.	H	α-helix	trans	-65.4	-45.4	176.9	-114.8	154.2	0	0	0	111.9	R397 M398 V399 L404 V405	R397-L401 WeakPolarHBondContact O-CB 3.38Å; R397-L401 PolarHBondContact O-N 3.43Å; M398-L401 PolarHBondContact O-N 3.46Å; V399-L401 PolarHBondContact O-N 3.22Å; L401-L404 PolarHBondContact O-N 3.39Å; L401-V405 WeakPolarHBondContact O-CG2 3.21Å; L401-V405 PolarHBondContact O-N 3.43Å
402	V	87.9	Confident	80.5	Confident	82 Å²	82	95.2 Å²	95.2	50%	0.497	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-44.3	176.1	171.7	0	0	0	0	110.2	M398 V399 L404 V405 C406	M398-V402 WeakPolarHBondContact O-CB 3.45Å; M398-V402 VanDerWaalsContact O-CG2 3.26Å; M398-V402 WeakPolarHBondContact O-CG2 3.4Å; M398-V402 PolarHBondContact O-N 2.7Å; V399-V402 PolarHBondContact O-N 2.92Å; V402-L404 VanDerWaalsContact C-N 3.35Å; V402-L404 PolarHBondContact O-N 3.47Å; V402-V405 PolarHBondContact O-N 3.23Å; V402-C406 WeakPolarHBondContact O-CB 3.22Å; V402-C406 PolarHBondContact O-N 3.26Å; V402-C406 PolarHBondContact O-SG 3.46Å
403	L	91.1	Very high	82.4	Confident	100 Å²	100	96.8 Å²	96.8	52%	0.524	53%	0.527	S	S	.	.	H	α-helix	trans	-60.5	-42	175.4	-74.3	170.1	0	0	0	112	V399 T400 C406 L407	V399-L403 HydrophobicContact CG1-CD1 3.83Å; V399-L403 HydrophobicContact CG1-CG 4.32Å; V399-L403 WeakPolarHBondContact O-CB 3.26Å; V399-L403 WeakPolarHBondContact O-CG 3.35Å; V399-L403 PolarHBondContact O-N 3.38Å; T400-L403 PolarHBondContact O-N 2.8Å; L403-C406 PolarHBondContact O-N 2.85Å; L403-L407 WeakPolarHBondContact O-CB 3.34Å; L403-L407 WeakPolarHBondContact O-CG 3.34Å; L403-L407 PolarHBondContact O-N 3.24Å
404	L	92.4	Very high	84.2	Confident	106 Å²	106	93 Å²	93	56%	0.555	52%	0.521	S	S	*	.	H	α-helix	trans	-64.8	-39.9	176.1	-74.5	169.4	0	0	0	112.5	T400 L401 V402 L407 S408	T400-L404 HydrophobicContact CG2-CD1 4.34Å; T400-L404 WeakPolarHBondContact O-CB 3.36Å; T400-L404 VanDerWaalsContact O-CG 3.3Å; T400-L404 WeakPolarHBondContact O-CG 3.41Å; T400-L404 PolarHBondContact O-N 3.02Å; L401-L404 PolarHBondContact O-N 3.39Å; V402-L404 VanDerWaalsContact C-N 3.35Å; V402-L404 PolarHBondContact O-N 3.47Å; L404-L407 PolarHBondContact O-N 2.93Å; L404-S408 WeakPolarHBondContact O-CB 3.34Å; L404-S408 PolarHBondContact O-N 3.48Å; L404-S408 PolarHBondContact O-OG 2.94Å
405	V	90.9	Very high	85.4	Confident	84 Å²	84	92.7 Å²	92.7	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-68.5	-39.9	175.2	173.6	0	0	0	0	111.2	L401 V402 S408 S409	L401-V405 WeakPolarHBondContact O-CG2 3.21Å; L401-V405 PolarHBondContact O-N 3.43Å; V402-V405 PolarHBondContact O-N 3.23Å; V405-S408 PolarHBondContact O-N 2.96Å; V405-S408 PolarHBondContact O-OG 2.84Å; V405-S409 WeakPolarHBondContact O-CB 3.5Å; V405-S409 PolarHBondContact O-N 3.03Å; V405-S409 PolarHBondContact O-OG 3.42Å
406	C	92.5	Very high	86.5	Confident	67 Å²	67	94.7 Å²	94.7	45%	0.453	53%	0.525	S	S	.	.	H	α-helix	trans	-65	-41.2	174.4	-71.2	0	0	0	0	111.7	V402 L403 S409 A410	V402-C406 WeakPolarHBondContact O-CB 3.22Å; V402-C406 PolarHBondContact O-N 3.26Å; V402-C406 PolarHBondContact O-SG 3.46Å; L403-C406 PolarHBondContact O-N 2.85Å; C406-S409 WeakPolarHBondContact CA-OG 3.46Å; C406-S409 PolarHBondContact O-OG 2.85Å; C406-A410 WeakPolarHBondContact O-CB 3.34Å; C406-A410 PolarHBondContact O-N 2.91Å
407	L	93.2	Very high	87.2	Confident	118 Å²	118	99 Å²	99	62%	0.618	53%	0.53	S	S	*	.	H	α-helix	trans	-67.4	-40.5	176.5	-73.9	170	0	0	0	111.9	L403 L404 A411	L403-L407 WeakPolarHBondContact O-CB 3.34Å; L403-L407 WeakPolarHBondContact O-CG 3.34Å; L403-L407 PolarHBondContact O-N 3.24Å; L404-L407 PolarHBondContact O-N 2.93Å; L407-A411 WeakPolarHBondContact O-CB 3.32Å; L407-A411 PolarHBondContact O-N 3.25Å
408	S	91.8	Very high	87.4	Confident	59 Å²	59	98.6 Å²	98.6	41%	0.413	53%	0.529	S	S	.	.	H	α-helix	trans	-68.1	-44.1	177.5	73.8	0	0	0	0	111.6	L404 V405 A411 W412	L404-S408 WeakPolarHBondContact O-CB 3.34Å; L404-S408 PolarHBondContact O-N 3.48Å; L404-S408 PolarHBondContact O-OG 2.94Å; V405-S408 PolarHBondContact O-N 2.96Å; V405-S408 PolarHBondContact O-OG 2.84Å; S408-A411 PolarHBondContact O-N 3.44Å; S408-W412 PolarHBondContact O-N 2.88Å
409	S	91	Very high	87.5	Confident	52 Å²	52	96.9 Å²	96.9	36%	0.364	53%	0.528	S	S	.	.	H	α-helix	trans	-64.6	-41.6	175.8	51.4	0	0	0	0	112.2	V405 C406 A411 W412 I413	V405-S409 WeakPolarHBondContact O-CB 3.5Å; V405-S409 PolarHBondContact O-N 3.03Å; V405-S409 PolarHBondContact O-OG 3.42Å; C406-S409 WeakPolarHBondContact CA-OG 3.46Å; C406-S409 PolarHBondContact O-OG 2.85Å; S409-A411 VanDerWaalsContact C-N 3.34Å; S409-A411 PolarHBondContact O-N 3.36Å; S409-W412 PolarHBondContact O-N 3.47Å; S409-I413 VanDerWaalsContact O-CG1 3.26Å; S409-I413 WeakPolarHBondContact O-CG1 3.2Å; S409-I413 PolarHBondContact O-N 2.9Å
410	A	92.5	Very high	87.1	Confident	55 Å²	55	98.3 Å²	98.3	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-61.5	-40.7	173.4	0	0	0	0	0	112.2	C406 I413 A414	C406-A410 WeakPolarHBondContact O-CB 3.34Å; C406-A410 PolarHBondContact O-N 2.91Å; A410-I413 PolarHBondContact O-N 3.43Å; A410-A414 VanDerWaalsContact O-CB 3.32Å; A410-A414 WeakPolarHBondContact O-CB 3.32Å; A410-A414 PolarHBondContact O-N 2.89Å
411	A	91	Very high	86.3	Confident	61 Å²	61	99.5 Å²	99.5	50%	0.504	53%	0.531	S	S	.	.	H	α-helix	trans	-64.4	-40.9	175.5	0	0	0	0	0	112.2	L407 S408 S409 A414 A415	L407-A411 WeakPolarHBondContact O-CB 3.32Å; L407-A411 PolarHBondContact O-N 3.25Å; S408-A411 PolarHBondContact O-N 3.44Å; S409-A411 VanDerWaalsContact C-N 3.34Å; S409-A411 PolarHBondContact O-N 3.36Å; A411-A414 PolarHBondContact O-N 3.41Å; A411-A415 WeakPolarHBondContact O-CB 3.36Å; A411-A415 PolarHBondContact O-N 3.46Å
412	W	88.9	Confident	84.9	Confident	197 Å²	197	102.3 Å²	102.3	75%	0.746	53%	0.534	S	S	*	.	H	α-helix	trans	-65.6	-42.7	175	-85.7	106.3	0	0	0	112.5	S408 S409 A415 W416	S408-W412 PolarHBondContact O-N 2.88Å; S409-W412 PolarHBondContact O-N 3.47Å; W412-A415 PolarHBondContact O-N 3.46Å; W412-W416 VanDerWaalsContact O-CB 3.32Å; W412-W416 WeakPolarHBondContact O-CB 3.35Å; W412-W416 PolarHBondContact O-N 2.97Å
413	I	89.6	Confident	83	Confident	108 Å²	108	106.2 Å²	106.2	55%	0.554	54%	0.544	S	S	*	.	H	α-helix	trans	-63.9	-43.9	176.1	-67.5	164.7	0	0	0	110.2	S409 A410 W416 Y417	S409-I413 VanDerWaalsContact O-CG1 3.26Å; S409-I413 WeakPolarHBondContact O-CG1 3.2Å; S409-I413 PolarHBondContact O-N 2.9Å; A410-I413 PolarHBondContact O-N 3.43Å; I413-W416 PolarHBondContact O-N 3.28Å; I413-Y417 WeakPolarHBondContact O-CB 3.3Å; I413-Y417 PolarHBondContact O-N 2.84Å
414	A	88	Confident	80.7	Confident	60 Å²	60	106.5 Å²	106.5	50%	0.496	55%	0.554	S	S	.	*	H	α-helix	trans	-63.5	-43.1	177	0	0	0	0	0	112.2	A410 A411 Y417 W418	A410-A414 VanDerWaalsContact O-CB 3.32Å; A410-A414 WeakPolarHBondContact O-CB 3.32Å; A410-A414 PolarHBondContact O-N 2.89Å; A411-A414 PolarHBondContact O-N 3.41Å; A414-Y417 PolarHBondContact O-N 3.01Å; A414-W418 VanDerWaalsContact O-CB 3.3Å; A414-W418 WeakPolarHBondContact O-CB 3.43Å; A414-W418 PolarHBondContact O-N 3.38Å
415	A	83.6	Confident	78.3	Confident	51 Å²	51	109 Å²	109	42%	0.421	57%	0.565	S	S	.	*	H	α-helix	trans	-63.7	-41.8	175.8	0	0	0	0	0	111.9	A411 W412 W418 C419	A411-A415 WeakPolarHBondContact O-CB 3.36Å; A411-A415 PolarHBondContact O-N 3.46Å; W412-A415 PolarHBondContact O-N 3.46Å; A415-W418 PolarHBondContact O-N 3.37Å; A415-C419 WeakPolarHBondContact O-CB 3.01Å; A415-C419 PolarHBondContact O-N 3.43Å
416	W	84.4	Confident	75.7	Confident	159 Å²	159	111.4 Å²	111.4	60%	0.602	59%	0.585	S	S	*	*	H	α-helix	trans	-64	-46.5	175.5	-178.9	70.7	0	0	0	111.7	W412 I413 W418 C419 F420	W412-W416 VanDerWaalsContact O-CB 3.32Å; W412-W416 WeakPolarHBondContact O-CB 3.35Å; W412-W416 PolarHBondContact O-N 2.97Å; I413-W416 PolarHBondContact O-N 3.28Å; W416-W418 VanDerWaalsContact C-N 3.34Å; W416-W418 PolarHBondContact O-N 2.9Å; W416-C419 PolarHBondContact O-N 3.27Å; W416-F420 WeakPolarHBondContact O-CB 3.42Å; W416-F420 PolarHBondContact O-N 2.95Å
417	Y	82.1	Confident	73.4	Confident	147 Å²	147	115.6 Å²	115.6	58%	0.576	60%	0.602	S	S	*	*	H	α-helix	trans	-62.8	-40.5	177.8	-150.8	-100	0	0	0	111.7	I413 A414 F420 N421	I413-Y417 WeakPolarHBondContact O-CB 3.3Å; I413-Y417 PolarHBondContact O-N 2.84Å; A414-Y417 PolarHBondContact O-N 3.01Å; Y417-F420 PolarHBondContact O-N 2.96Å; Y417-N421 WeakPolarHBondContact CE1-ND2 3.32Å; Y417-N421 WeakPolarHBondContact O-CB 3.3Å; Y417-N421 PolarHBondContact O-N 2.89Å
418	W	78.8	Confident	70.9	Confident	165 Å²	165	117.7 Å²	117.7	63%	0.625	61%	0.614	S	S	*	*	H	α-helix	trans	-64.5	-41.9	175.5	-169.6	83.7	0	0	0	112.1	A414 A415 W416 R422	A414-W418 VanDerWaalsContact O-CB 3.3Å; A414-W418 WeakPolarHBondContact O-CB 3.43Å; A414-W418 PolarHBondContact O-N 3.38Å; A415-W418 PolarHBondContact O-N 3.37Å; W416-W418 VanDerWaalsContact C-N 3.34Å; W416-W418 PolarHBondContact O-N 2.9Å; W418-R422 WeakPolarHBondContact O-CB 3.48Å; W418-R422 PolarHBondContact O-N 2.91Å
419	C	76.7	Confident	68.3	Low	89 Å²	89	126.6 Å²	126.6	60%	0.601	64%	0.638	S	S	*	*	H	α-helix	trans	-68	-37	175.7	-84.2	0	0	0	0	113.2	A415 W416	A415-C419 WeakPolarHBondContact O-CB 3.01Å; A415-C419 PolarHBondContact O-N 3.43Å; W416-C419 PolarHBondContact O-N 3.27Å
420	F	73.4	Confident	65.8	Low	112 Å²	112	134.9 Å²	134.9	49%	0.491	66%	0.662	S	S	.	*	H	α-helix	trans	-83.1	-35.6	-174.4	-138.1	-89.3	0	0	0	113.3	W416 Y417	W416-F420 WeakPolarHBondContact O-CB 3.42Å; W416-F420 PolarHBondContact O-N 2.95Å; Y417-F420 PolarHBondContact O-N 2.96Å
421	N	65.7	Low	63.5	Low	106 Å²	106	139.5 Å²	139.5	57%	0.567	68%	0.679	S	S	*	*	H	α-helix	trans	-82.2	-11.8	179.2	-88.5	-12.8	0	0	0	114.4	Y417 K423	Y417-N421 WeakPolarHBondContact CE1-ND2 3.32Å; Y417-N421 WeakPolarHBondContact O-CB 3.3Å; Y417-N421 PolarHBondContact O-N 2.89Å; N421-K423 VanDerWaalsContact C-N 3.3Å; N421-K423 PolarHBondContact O-N 3.47Å
422	R	57.6	Low	60.9	Low	170 Å²	170	142.9 Å²	142.9	64%	0.642	70%	0.697	S	S	*	*			trans	-93.3	53.5	172.1	-117.5	-179.9	179.1	-161.5	-1.6	111.8	W418	W418-R422 WeakPolarHBondContact O-CB 3.48Å; W418-R422 PolarHBondContact O-N 2.91Å
423	K	47.1	Very low	58.5	Low	165 Å²	165	140.9 Å²	140.9	72%	0.717	70%	0.699	S	S	*	*			trans	-93.1	13.6	173.9	-93.3	-175	176.5	177.3	0	115	N421	N421-K423 VanDerWaalsContact C-N 3.3Å; N421-K423 PolarHBondContact O-N 3.47Å
424	S	44	Very low	55.9	Low	105 Å²	105	141.3 Å²	141.3	73%	0.734	71%	0.711	S	S	*	*	S	Bend	trans	-122.4	12.3	-175.2	64.1	0	0	0	0	117.2
425	M	42	Very low	53.4	Low	158 Å²	158	148.2 Å²	148.2	78%	0.778	72%	0.724	S	S	*	*			trans	-132.8	69.8	172	-69.4	-165.7	91.8	0	0	112.6
426	C	36.7	Very low	51.3	Low	136 Å²	136	151.2 Å²	151.2	92%	0.919	74%	0.739	S	S	*	*			trans	-91.7	96.2	150.8	-78.3	0	0	0	0	108
427	L	42.7	Very low	49.1	Very low	155 Å²	155	152.3 Å²	152.3	81%	0.812	75%	0.748	S	S	*	*			trans	-146.3	56.4	173.5	-121.1	151.1	0	0	0	109.6
428	N	41	Very low	47.3	Very low	162 Å²	162	152.2 Å²	152.2	87%	0.866	76%	0.756	S	S	*	*			trans	-171.8	128	131.6	-117.6	-30.6	0	0	0	112.2
429	W	37.3	Very low	45.5	Very low	246 Å²	246	150.9 Å²	150.9	93%	0.932	77%	0.766	S	S	*	*			trans	-70.2	126.6	-180	-124.2	-65.8	0	0	0	110.1
430	R	39.6	Very low	43.8	Very low	226 Å²	226	150 Å²	150	85%	0.853	76%	0.764	S	S	*	*	S	Bend	trans	142.5	-7.8	142	-80.1	-175.7	162.5	-175.4	-4.3	119
431	N	42.6	Very low	42.1	Very low	152 Å²	152	155.5 Å²	155.5	81%	0.813	78%	0.783	S	S	*	*			trans	-132.5	24	-175.5	-83.9	-21	0	0	0	117.7	I433	N431-I433 PolarHBondContact O-N 3.3Å
432	C	37.3	Very low	40.9	Very low	131 Å²	131	153.9 Å²	153.9	89%	0.885	79%	0.785	S	S	*	*			trans	-73.9	92.4	166.4	-80.6	0	0	0	0	110.8	C434	C432-C434 PolarHBondContact O-N 3.46Å
433	I	38.7	Very low	40	Very low	155 Å²	155	155.3 Å²	155.3	80%	0.795	79%	0.792	S	S	*	*			trans	-70.1	81.8	160.8	-58.8	173.3	0	0	0	107.2	N431	N431-I433 PolarHBondContact O-N 3.3Å
434	C	35.1	Very low	39.6	Very low	118 Å²	118	157.2 Å²	157.2	80%	0.797	80%	0.795	S	S	*	*			trans	-109.4	79.2	148.9	-79.7	0	0	0	0	105.8	C432	C432-C434 PolarHBondContact O-N 3.46Å
435	R	34.5	Very low	39.3	Very low	205 Å²	205	157.9 Å²	157.9	77%	0.774	79%	0.79	S	S	*	*			trans	-93.4	114.9	160.9	-89.9	-164.7	179.1	-147.6	4.1	107.7	K437	R435-K437 PolarHBondContact O-N 2.96Å
436	P	39.3	Very low	39.2	Very low	113 Å²	113	157.7 Å²	157.7	73%	0.734	79%	0.791	S	S	*	*			trans	-74.4	112.9	154.3	30.3	-24.6	0	0	0	106.6	I438	P436-I438 PolarHBondContact O-N 2.92Å
437	K	39.5	Very low	39.2	Very low	182 Å²	182	155.7 Å²	155.7	79%	0.791	79%	0.785	S	S	*	*			trans	-84.5	99.4	161.3	-97.3	-171.2	175.7	-177.6	0	107.4	R435	R435-K437 PolarHBondContact O-N 2.96Å
438	I	43.1	Very low	39.1	Very low	146 Å²	146	156.9 Å²	156.9	75%	0.749	79%	0.788	S	S	*	*			trans	-59.7	128.7	160.7	-65.5	164.4	0	0	0	107.9	P436 A440	P436-I438 PolarHBondContact O-N 2.92Å; I438-A440 HydrophobicContact CG2-CB 4.5Å
439	V	41.5	Very low	39	Very low	137 Å²	137	154 Å²	154	83%	0.83	79%	0.786	S	S	*	*			trans	-111.4	123.3	148.1	179.4	0	0	0	0	106.1
440	A	40.1	Very low	39.1	Very low	69 Å²	69	149.5 Å²	149.5	57%	0.57	78%	0.781	S	S	*	*			trans	-84.6	139	-176.5	0	0	0	0	0	111.7	I438	I438-A440 HydrophobicContact CG2-CB 4.5Å
441	Y	39.1	Very low	39.2	Very low	228 Å²	228	145.4 Å²	145.4	89%	0.894	78%	0.776	S	S	*	*			trans	-147.5	93.2	134.1	-83.5	-79.5	0	0	0	104.2
442	A	39.5	Very low	39.1	Very low	73 Å²	73	143.6 Å²	143.6	60%	0.603	77%	0.77	S	S	*	*				54.3	116.7	91.7	0	0	0	0	0	111.4
443	Y	38.8	Very low	39.2	Very low	200 Å²	200	143.7 Å²	143.7	78%	0.784	76%	0.762	S	S	*	*			cis	-152.3	132.4	39.3	-89.5	-94.1	0	0	0	110.4
444	R	38.9	Very low	39.4	Very low	205 Å²	205	143.8 Å²	143.8	77%	0.774	76%	0.759	S	S	*	*				57.1	129.4	102	-76.4	-167.2	164.6	176	-1.7	113.8
445	N	38.7	Very low	39.6	Very low	118 Å²	118	144.7 Å²	144.7	63%	0.631	76%	0.755	S	S	*	*			cis	-165.8	137.8	16.5	-97.9	-23.7	0	0	0	110.6
446	L	39.4	Very low	40.1	Very low	155 Å²	155	140.9 Å²	140.9	81%	0.812	76%	0.755	S	S	*	*			trans	55.3	113	130.6	-61.5	156.9	0	0	0	121.6
447	A	35.9	Very low	40.3	Very low	94 Å²	94	139.7 Å²	139.7	78%	0.777	75%	0.749	S	S	*	*			trans	-104.7	137	145.4	0	0	0	0	0	109.1
448	M	40.3	Very low	40.5	Very low	180 Å²	180	139.4 Å²	139.4	89%	0.887	75%	0.75	S	S	*	*			trans	-162.6	110.8	153	-72.6	-150.2	131	0	0	106
449	A	40.9	Very low	40.5	Very low	100 Å²	100	137.8 Å²	137.8	83%	0.826	74%	0.743	S	S	*	*				84.4	130.7	81.1	0	0	0	0	0	113.1
450	D	39.4	Very low	40.7	Very low	153 Å²	153	139 Å²	139	82%	0.818	74%	0.737	S	S	*	*			trans	-40	144.5	177.5	-87.5	-43.8	0	0	0	116
451	D	41	Very low	41.2	Very low	140 Å²	140	143 Å²	143	75%	0.749	75%	0.748	S	S	*	*				-179.5	131.8	106.1	-108.2	-25.3	0	0	0	112.9
452	T	39.8	Very low	41.6	Very low	113 Å²	113	137 Å²	137	69%	0.693	74%	0.737	S	S	*	*			trans	60.7	133.7	144.6	52.8	0	0	0	0	124.2
453	D	40.4	Very low	41.9	Very low	134 Å²	134	138.8 Å²	138.8	72%	0.717	74%	0.744	S	S	*	*			trans	93.1	106.9	138	-75.1	-18	0	0	0	121.7
454	Q	42	Very low	42.5	Very low	156 Å²	156	135.1 Å²	135.1	73%	0.729	75%	0.745	S	S	*	*				102	118	120.2	-83.5	-170.5	11.6	0	0	120.6
455	L	39.5	Very low	43.1	Very low	137 Å²	137	134.5 Å²	134.5	72%	0.717	75%	0.751	S	S	*	*			trans	101.6	111.4	134.5	-67.9	157	0	0	0	119.5
456	V	44.6	Very low	43.6	Very low	126 Å²	126	134 Å²	134	76%	0.764	76%	0.757	S	S	*	*				78.6	128.2	129.7	-178.3	0	0	0	0	114.8
457	S	44.1	Very low	44.4	Very low	87 Å²	87	137 Å²	137	61%	0.608	78%	0.781	S	S	*	*			cis	-171.7	153	18.9	34.7	0	0	0	0	109.8
458	E	43.4	Very low	44.8	Very low	177 Å²	177	139.2 Å²	139.2	83%	0.827	78%	0.782	S	S	*	*			trans	65.9	135.3	143	-71.1	170.1	176.5	0	0	118.9
459	D	43.8	Very low	45	Very low	112 Å²	112	137.1 Å²	137.1	60%	0.599	78%	0.776	S	S	*	*			cis	-165.1	147.7	6	-136.3	-15.7	0	0	0	109.4
460	K	44.5	Very low	45.3	Very low	162 Å²	162	139.1 Å²	139.1	70%	0.704	77%	0.773	S	S	*	*			trans	32	122	152.6	-70.7	158.6	-171.7	146.6	0	121.5
461	I	51.3	Low	45.6	Very low	154 Å²	154	138.3 Å²	138.3	79%	0.79	77%	0.771	S	S	*	*				67.1	140.5	56	-50.6	166.3	0	0	0	112.5
462	P	47.1	Very low	45.9	Very low	102 Å²	102	138.2 Å²	138.2	66%	0.662	77%	0.772	S	S	*	*			cis	-148.7	-169	-49.8	44.9	-24.4	0	0	0	113.7
463	S	46.9	Very low	46.3	Very low	109 Å²	109	139.9 Å²	139.9	76%	0.762	78%	0.777	S	S	*	*			trans	79.9	142	145.7	73.6	0	0	0	0	121.6
464	P	50.6	Low	46.7	Very low	123 Å²	123	140.3 Å²	140.3	80%	0.799	78%	0.782	S	S	*	*			trans	-105.9	155.8	-173.3	39.9	-30.6	0	0	0	113.8
465	Q	52.4	Low	47.1	Very low	192 Å²	192	139.1 Å²	139.1	90%	0.897	79%	0.786	S	S	*	*			trans	-141.7	142.5	157.2	-78.8	-167.5	-24.7	0	0	111.5
466	S	48.9	Very low	47.7	Very low	109 Å²	109	139.3 Å²	139.3	76%	0.762	79%	0.791	S	S	*	*			trans	-41.9	134.9	171.2	50.4	0	0	0	0	116.5
467	V	55.4	Low	48	Very low	218 Å²	218	140.5 Å²	140.5	100%	1.321	79%	0.794	S	S	*	*				-150	0	115.4	171.8	0	0	0	0	107.2

Retrieved 467 of 467 residues in 81.6 ms (Link to these results)

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