A0A089H0Q7_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession A0A089H0Q7, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB1, Length 183 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	R	82.7	Confident	96	Very high	287 Å²	287	97.5 Å²	97.5	100%	1.083	47%	0.465	S	S	*	.				0	127.2	0	-180	177	178.7	177.3	-0.7	106.1
2	F	92.8	Very high	96.1	Very high	156 Å²	156	95.3 Å²	95.3	68%	0.684	45%	0.452	S	S	*	.			trans	-99.8	149.5	178.7	-56.5	-73.9	0	0	0	109.6	Y27 N28	F2-Y27 HydrophobicContact CB-CE2 4.38Å; F2-Y27 HydrophobicContact CD1-CE1 4.43Å; F2-Y27 HydrophobicContact CD1-CE2 4.49Å; F2-Y27 AromaticContact CD1-CZ 3.75Å; F2-Y27 WeakPolarHBondContact CD1-OH 2.99Å; F2-Y27 VanDerWaalsContact CE1-OH 3.31Å; F2-Y27 WeakPolarHBondContact CE1-OH 3.38Å; F2-N28 WeakPolarHBondContact CA-OD1 3.03Å
3	L	96.8	Very high	96.1	Very high	99 Å²	99	95.7 Å²	95.7	52%	0.518	45%	0.451	S	S	.	.			trans	-134.9	127.2	175.3	178.4	67.9	0	0	0	108.6	Y5 N28	L3-Y5 HydrophobicContact CD2-CD1 4.02Å; L3-Y5 HydrophobicContact CD2-CE1 4.29Å; L3-Y5 HydrophobicContact CG-CD1 4.08Å; L3-N28 PolarHBondContact N-OD1 3.47Å; L3-N28 PolarHBondContact O-N 3.04Å
4	E	96.7	Very high	96	Very high	126 Å²	126	98.9 Å²	98.9	59%	0.589	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	137	168.6	-178.8	169	-147.5	0	0	108.2	F26 Y32	E4-F26 WeakPolarHBondContact CA-O 3.27Å; E4-Y32 PolarHBondContact OE1-OH 2.84Å
5	Y	97.6	Very high	95.8	Very high	85 Å²	85	94.5 Å²	94.5	33%	0.333	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.6	175.7	68	-84.2	0	0	0	110.6	L3 T7 F26	L3-Y5 HydrophobicContact CD2-CD1 4.02Å; L3-Y5 HydrophobicContact CD2-CE1 4.29Å; L3-Y5 HydrophobicContact CG-CD1 4.08Å; Y5-T7 HydrophobicContact CD2-CG2 4.18Å; Y5-T7 HydrophobicContact CE2-CG2 4.1Å; Y5-F26 HydrophobicContact CD1-CB 3.85Å; Y5-F26 HydrophobicContact CD2-CB 4.21Å; Y5-F26 AromaticContact CD2-CD2 3.78Å; Y5-F26 HydrophobicContact CD2-CD2 3.78Å; Y5-F26 HydrophobicContact CD2-CE2 4.49Å; Y5-F26 HydrophobicContact CD2-CG 4.23Å; Y5-F26 HydrophobicContact CE1-CB 3.46Å; Y5-F26 VanDerWaalsContact CE1-CB 3.46Å; Y5-F26 HydrophobicContact CE1-CG 4.02Å; Y5-F26 HydrophobicContact CE2-CB 3.83Å; Y5-F26 HydrophobicContact CE2-CD1 4.26Å; Y5-F26 AromaticContact CE2-CD2 3.29Å; Y5-F26 HydrophobicContact CE2-CD2 3.29Å; Y5-F26 AromaticContact CE2-CE2 3.82Å; Y5-F26 HydrophobicContact CE2-CE2 3.82Å; Y5-F26 AromaticContact CE2-CG 3.55Å; Y5-F26 HydrophobicContact CE2-CG 3.55Å; Y5-F26 HydrophobicContact CE2-CZ 4.49Å; Y5-F26 HydrophobicContact CG-CB 4.22Å; Y5-F26 VanDerWaalsContact CZ-CB 3.43Å; Y5-F26 AromaticContact CZ-CD1 3.9Å; Y5-F26 AromaticContact CZ-CD2 3.72Å; Y5-F26 AromaticContact CZ-CG 3.42Å; Y5-F26 VanDerWaalsContact CZ-CG 3.42Å; Y5-F26 PolarHBondContact N-O 2.81Å; Y5-F26 VanDerWaalsContact N-O 3.08Å; Y5-F26 PolarHBondContact O-N 3.46Å; Y5-F26 WeakPolarHBondContact OH-CD1 3.49Å; Y5-F26 WeakPolarHBondContact OH-CG 3.33Å
6	S	97.6	Very high	95.8	Very high	65 Å²	65	90.4 Å²	90.4	46%	0.455	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	161.5	170.6	61.6	0	0	0	0	111.3	R24	S6-R24 CarbonylContact C-O 3.58Å; S6-R24 WeakPolarHBondContact CA-O 3.3Å; S6-R24 VanDerWaalsContact CB-O 3.32Å; S6-R24 WeakPolarHBondContact CB-O 3.43Å
7	T	98.3	Very high	95.7	Very high	41 Å²	41	93.9 Å²	93.9	25%	0.252	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128	172	61.8	0	0	0	0	109.8	Y5 E9 D23 R24 F26	Y5-T7 HydrophobicContact CD2-CG2 4.18Å; Y5-T7 HydrophobicContact CE2-CG2 4.1Å; T7-E9 PolarHBondContact OG1-OE1 2.76Å; T7-D23 WeakPolarHBondContact O-CA 3.47Å; T7-R24 PolarHBondContact N-O 3.03Å; T7-R24 PolarHBondContact O-N 2.81Å; T7-F26 HydrophobicContact CG2-CE2 4.03Å
8	S	98.2	Very high	95.8	Very high	59 Å²	59	96.8 Å²	96.8	41%	0.413	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	98.4	172.8	-46.5	0	0	0	0	108.4	L22 D23	S8-L22 CarbonylContact C-O 3.59Å; S8-D23 PolarHBondContact OG-OD1 3.31Å
9	E	98.4	Very high	96	Very high	51 Å²	51	92.2 Å²	92.2	24%	0.238	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134	-172.2	-50.4	174.8	-166.9	0	0	110.8	T7 H11 F21 L22 R24	T7-E9 PolarHBondContact OG1-OE1 2.76Å; E9-H11 IonicContact OE2-CD2 3.08Å; E9-H11 IonicContact OE2-CE1 3.93Å; E9-H11 IonicContact OE2-NE2 3.69Å; E9-H11 PolarHBondContact OE2-NE2 2.83Å; E9-F21 WeakPolarHBondContact O-CA 3.5Å; E9-F21 WeakPolarHBondContact O-CD2 3.48Å; E9-L22 HydrophobicContact CB-CB 4.21Å; E9-L22 PolarHBondContact N-O 2.78Å; E9-L22 PolarHBondContact O-N 2.92Å; E9-R24 VanDerWaalsContact OE1-CD 3.23Å; E9-R24 WeakPolarHBondContact OE1-CD 3.24Å; E9-R24 IonicContact OE1-CZ 3.7Å; E9-R24 IonicContact OE1-NE 2.63Å; E9-R24 IonicContact OE1-NH1 3.48Å; E9-R24 PolarHBondContact OE1-NH1 2.65Å
10	C	98.4	Very high	96.1	Very high	34 Å²	34	91.3 Å²	91.3	23%	0.23	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116	172.9	-62.7	0	0	0	0	109.8	F12 C74	C10-F12 HydrophobicContact CB-CD2 4.32Å; C10-F12 HydrophobicContact CB-CE2 3.44Å; C10-F12 VanDerWaalsContact CB-CE2 3.44Å; C10-F12 HydrophobicContact CB-CZ 3.58Å; C10-F12 WeakPolarHBondContact O-CD2 3.24Å; C10-F12 WeakPolarHBondContact O-CE2 3.41Å; C10-C74 HydrophobicContact CB-CB 3.66Å; C10-C74 WeakPolarHBondContact CB-SG 3.32Å; C10-C74 WeakPolarHBondContact SG-CA 3.46Å; C10-C74 WeakPolarHBondContact SG-CB 3.48Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 2.94Å
11	H	98.1	Very high	96.2	Very high	69 Å²	69	87.3 Å²	87.3	32%	0.319	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.4	179.1	-64.3	-94.2	0	0	0	109.5	E9 F13 V19 R20	E9-H11 IonicContact OE2-CD2 3.08Å; E9-H11 IonicContact OE2-CE1 3.93Å; E9-H11 IonicContact OE2-NE2 3.69Å; E9-H11 PolarHBondContact OE2-NE2 2.83Å; H11-F13 HydrophobicContact CB-CE2 3.89Å; H11-F13 HydrophobicContact CB-CZ 4.17Å; H11-V19 WeakPolarHBondContact O-CA 3.49Å; H11-R20 HydrophobicContact CB-CB 4.33Å; H11-R20 PolarHBondContact N-O 3.23Å; H11-R20 PolarHBondContact O-N 2.91Å
12	F	97.9	Very high	97	Very high	71 Å²	71	74.1 Å²	74.1	31%	0.311	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.1	-174.3	-62.8	-83.6	0	0	0	110.8	C10 G15 T16 V19 C74 Y78	C10-F12 HydrophobicContact CB-CD2 4.32Å; C10-F12 HydrophobicContact CB-CE2 3.44Å; C10-F12 VanDerWaalsContact CB-CE2 3.44Å; C10-F12 HydrophobicContact CB-CZ 3.58Å; C10-F12 WeakPolarHBondContact O-CD2 3.24Å; C10-F12 WeakPolarHBondContact O-CE2 3.41Å; F12-G15 WeakPolarHBondContact CB-O 3.47Å; F12-T16 HydrophobicContact CD1-CG2 4.42Å; F12-V19 HydrophobicContact CD1-CG1 4.21Å; F12-V19 HydrophobicContact CD1-CG2 3.8Å; F12-V19 HydrophobicContact CE1-CG1 4.02Å; F12-V19 HydrophobicContact CE1-CG2 4.09Å; F12-C74 HydrophobicContact CE1-CB 4.28Å; F12-C74 HydrophobicContact CZ-CB 4.08Å; F12-C74 WeakPolarHBondContact CZ-O 3.38Å; F12-Y78 HydrophobicContact CB-CE2 4.39Å; F12-Y78 AromaticContact CD1-CD2 3.5Å; F12-Y78 HydrophobicContact CD1-CD2 3.5Å; F12-Y78 VanDerWaalsContact CD1-CD2 3.5Å; F12-Y78 HydrophobicContact CD1-CE2 4.04Å; F12-Y78 HydrophobicContact CD1-CG 4.2Å; F12-Y78 HydrophobicContact CD2-CD2 4.02Å; F12-Y78 HydrophobicContact CD2-CE2 4.49Å; F12-Y78 AromaticContact CE1-CD2 3.51Å; F12-Y78 HydrophobicContact CE1-CD2 3.51Å; F12-Y78 HydrophobicContact CE1-CE2 4.48Å; F12-Y78 AromaticContact CE1-CG 3.89Å; F12-Y78 HydrophobicContact CE1-CG 3.89Å; F12-Y78 HydrophobicContact CE2-CD2 4.01Å; F12-Y78 AromaticContact CG-CD2 3.77Å; F12-Y78 HydrophobicContact CG-CD2 3.77Å; F12-Y78 HydrophobicContact CG-CE2 4.05Å; F12-Y78 AromaticContact CZ-CD2 3.78Å; F12-Y78 HydrophobicContact CZ-CD2 3.78Å; F12-Y78 HydrophobicContact CZ-CG 4.24Å
13	F	96.3	Very high	97.2	Very high	101 Å²	101	67 Å²	67	44%	0.443	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130	177.2	-55.2	-86.1	0	0	0	109.7	H11 G15 R18	H11-F13 HydrophobicContact CB-CE2 3.89Å; H11-F13 HydrophobicContact CB-CZ 4.17Å; F13-G15 PolarHBondContact O-N 2.98Å; F13-R18 HydrophobicContact CB-CB 4.23Å; F13-R18 HydrophobicContact CD2-CG 4.27Å; F13-R18 PolarHBondContact N-O 3.42Å; F13-R18 PolarHBondContact O-N 2.8Å
14	N	94.4	Very high	97.3	Very high	141 Å²	141	65 Å²	65	75%	0.754	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	53.3	-174.9	-61.5	-18.4	0	0	0	112.1	T16 E17	N14-T16 PolarHBondContact O-N 3.21Å; N14-E17 HydrophobicContact CB-CB 4.41Å
15	G	92.3	Very high	97.4	Very high	32 Å²	32	60.9 Å²	60.9	33%	0.33	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	-124.2	-171	0	0	0	0	0	110.5	F12 F13	F12-G15 WeakPolarHBondContact CB-O 3.47Å; F13-G15 PolarHBondContact O-N 2.98Å
16	T	96.2	Very high	97.5	Very high	29 Å²	29	57.7 Å²	57.7	18%	0.178	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	12.9	-178.4	63.4	0	0	0	0	113.7	F12 N14 R75 Y78 W79	F12-T16 HydrophobicContact CD1-CG2 4.42Å; N14-T16 PolarHBondContact O-N 3.21Å; T16-R75 HydrophobicContact CG2-CG 4.49Å; T16-R75 PolarHBondContact O-NE 3.35Å; T16-R75 VanDerWaalsContact O-NE 3.16Å; T16-Y78 HydrophobicContact CG2-CD1 3.39Å; T16-Y78 HydrophobicContact CG2-CD2 4.19Å; T16-Y78 HydrophobicContact CG2-CE1 3.66Å; T16-Y78 HydrophobicContact CG2-CE2 4.38Å; T16-Y78 HydrophobicContact CG2-CG 3.69Å; T16-W79 HydrophobicContact CG2-CZ2 4.04Å; T16-W79 WeakPolarHBondContact OG1-CZ2 3.13Å
17	E	94.8	Very high	97.5	Very high	151 Å²	151	58.4 Å²	58.4	71%	0.706	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-55.2	-179.1	-175.6	-177.4	-176.9	0	0	110.5	N14	N14-E17 HydrophobicContact CB-CB 4.41Å
18	R	97.3	Very high	97.3	Very high	146 Å²	146	59.4 Å²	59.4	55%	0.551	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.7	171.2	-178.7	179.5	179.8	-177.7	-0.5	109.4	F13 D38	F13-R18 HydrophobicContact CB-CB 4.23Å; F13-R18 HydrophobicContact CD2-CG 4.27Å; F13-R18 PolarHBondContact N-O 3.42Å; F13-R18 PolarHBondContact O-N 2.8Å; R18-D38 IonicContact NH2-OD2 3.71Å; R18-D38 PolarHBondContact NH2-OD2 2.95Å; R18-D38 VanDerWaalsContact NH2-OD2 3.08Å
19	V	98.4	Very high	97.2	Very high	9 Å²	9	64.4 Å²	64.4	6%	0.055	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.5	179.2	-177.9	0	0	0	0	107.9	H11 F12 V70 C74 R75	H11-V19 WeakPolarHBondContact O-CA 3.49Å; F12-V19 HydrophobicContact CD1-CG1 4.21Å; F12-V19 HydrophobicContact CD1-CG2 3.8Å; F12-V19 HydrophobicContact CE1-CG1 4.02Å; F12-V19 HydrophobicContact CE1-CG2 4.09Å; V19-V70 HydrophobicContact CB-CG1 3.89Å; V19-V70 HydrophobicContact CG1-CG1 4.03Å; V19-C74 HydrophobicContact CG1-CB 3.6Å; V19-R75 HydrophobicContact CG2-CG 3.97Å
20	R	98.4	Very high	97.1	Very high	73 Å²	73	66.6 Å²	66.6	28%	0.275	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.8	172.4	-180	-178.9	177.9	-159.1	0.5	109.1	H11 D36 S37	H11-R20 HydrophobicContact CB-CB 4.33Å; H11-R20 PolarHBondContact N-O 3.23Å; H11-R20 PolarHBondContact O-N 2.91Å; R20-D36 IonicContact CZ-OD1 3.11Å; R20-D36 IonicContact CZ-OD2 2.68Å; R20-D36 IonicContact NE-OD1 3.14Å; R20-D36 PolarHBondContact NE-OD1 2.66Å; R20-D36 IonicContact NE-OD2 3.7Å; R20-D36 PolarHBondContact NE-OD2 3.5Å; R20-D36 IonicContact NH2-OD1 3Å; R20-D36 IonicContact NH2-OD2 2.68Å; R20-D36 PolarHBondContact NH2-OD2 2.89Å; R20-S37 WeakPolarHBondContact CA-OG 3.44Å
21	F	98.8	Very high	97.2	Very high	8 Å²	8	66 Å²	66	4%	0.035	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.7	174.7	178.6	-116.4	0	0	0	109.7	E9 D23 F35 S37 E66 A69 V70 Y73 C74	E9-F21 WeakPolarHBondContact O-CA 3.5Å; E9-F21 WeakPolarHBondContact O-CD2 3.48Å; F21-D23 HydrophobicContact CE1-CB 3.95Å; F21-D23 HydrophobicContact CZ-CB 3.92Å; F21-F35 HydrophobicContact CD1-CD1 4Å; F21-F35 HydrophobicContact CD1-CE1 4.11Å; F21-F35 HydrophobicContact CE1-CD1 4.29Å; F21-S37 PolarHBondContact N-OG 2.86Å; F21-S37 PolarHBondContact O-N 2.89Å; F21-S37 PolarHBondContact O-OG 2.85Å; F21-E66 WeakPolarHBondContact CE1-OE2 3.49Å; F21-A69 HydrophobicContact CD1-CB 3.56Å; F21-A69 HydrophobicContact CD2-CB 4.49Å; F21-A69 HydrophobicContact CE1-CB 3.46Å; F21-A69 VanDerWaalsContact CE1-CB 3.46Å; F21-A69 HydrophobicContact CE2-CB 4.4Å; F21-A69 HydrophobicContact CG-CB 4.09Å; F21-A69 HydrophobicContact CZ-CB 3.91Å; F21-V70 HydrophobicContact CB-CG2 3.78Å; F21-Y73 HydrophobicContact CE2-CD1 4.07Å; F21-Y73 HydrophobicContact CE2-CE1 4.42Å; F21-C74 WeakPolarHBondContact CD2-SG 3.32Å
22	L	98.5	Very high	97.2	Very high	11 Å²	11	63.4 Å²	63.4	6%	0.058	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119.5	175.6	-76	166.8	0	0	0	108.7	S8 E9 R24 F35 D36	S8-L22 CarbonylContact C-O 3.59Å; E9-L22 HydrophobicContact CB-CB 4.21Å; E9-L22 PolarHBondContact N-O 2.78Å; E9-L22 PolarHBondContact O-N 2.92Å; L22-R24 HydrophobicContact CB-CG 4.31Å; L22-F35 WeakPolarHBondContact CA-O 3.47Å; L22-D36 HydrophobicContact CD2-CB 3.64Å
23	D	98.6	Very high	97.2	Very high	6 Å²	6	60 Å²	60	3%	0.032	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.5	170.4	-161.1	45.6	0	0	0	108.8	T7 S8 F21 Y25 R34 F35	T7-D23 WeakPolarHBondContact O-CA 3.47Å; S8-D23 PolarHBondContact OG-OD1 3.31Å; F21-D23 HydrophobicContact CE1-CB 3.95Å; F21-D23 HydrophobicContact CZ-CB 3.92Å; D23-Y25 HydrophobicContact CB-CE2 4.49Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.3Å; D23-Y25 PolarHBondContact OD2-OH 3.43Å; D23-R34 CarbonylContact O-C 3.56Å; D23-R34 WeakPolarHBondContact O-CA 3.24Å; D23-F35 HydrophobicContact CB-CB 4.25Å; D23-F35 PolarHBondContact N-O 2.02Å; D23-F35 PolarHBondContact O-N 3.5Å
24	R	98.6	Very high	97.3	Very high	56 Å²	56	58.5 Å²	58.5	21%	0.211	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.1	-166.6	-55.4	169.2	71.8	-167.3	0.1	110.1	S6 T7 E9 L22 F26 E31 R34	S6-R24 CarbonylContact C-O 3.58Å; S6-R24 WeakPolarHBondContact CA-O 3.3Å; S6-R24 VanDerWaalsContact CB-O 3.32Å; S6-R24 WeakPolarHBondContact CB-O 3.43Å; T7-R24 PolarHBondContact N-O 3.03Å; T7-R24 PolarHBondContact O-N 2.81Å; E9-R24 VanDerWaalsContact OE1-CD 3.23Å; E9-R24 WeakPolarHBondContact OE1-CD 3.24Å; E9-R24 IonicContact OE1-CZ 3.7Å; E9-R24 IonicContact OE1-NE 2.63Å; E9-R24 IonicContact OE1-NH1 3.48Å; E9-R24 PolarHBondContact OE1-NH1 2.65Å; L22-R24 HydrophobicContact CB-CG 4.31Å; R24-F26 HydrophobicContact CB-CD2 4.46Å; R24-F26 HydrophobicContact CB-CE2 3.56Å; R24-F26 HydrophobicContact CB-CZ 3.93Å; R24-E31 WeakPolarHBondContact CG-OE1 3.42Å; R24-E31 IonicContact CZ-OE1 2.85Å; R24-E31 IonicContact CZ-OE2 3.77Å; R24-E31 VanDerWaalsContact NE-CD 3.31Å; R24-E31 IonicContact NE-OE1 2.95Å; R24-E31 PolarHBondContact NE-OE1 2.82Å; R24-E31 IonicContact NE-OE2 3.1Å; R24-E31 PolarHBondContact NE-OE2 3Å; R24-E31 IonicContact NH2-OE1 3.39Å; R24-E31 IonicContact NH2-OE2 3.89Å; R24-E31 PolarHBondContact NH2-OE2 3.16Å; R24-R34 HydrophobicContact CB-CB 4.46Å; R24-R34 HydrophobicContact CG-CB 4.06Å
25	Y	98.5	Very high	97.5	Very high	41 Å²	41	51.8 Å²	51.8	16%	0.161	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.2	-175.3	-64.5	-102.9	0	0	0	110.5	D23 E31 Y32 V33 F42 W56	D23-Y25 HydrophobicContact CB-CE2 4.49Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.3Å; D23-Y25 PolarHBondContact OD2-OH 3.43Å; Y25-E31 CarbonylContact O-C 3.42Å; Y25-E31 WeakPolarHBondContact O-CA 3.5Å; Y25-Y32 WeakPolarHBondContact O-CD1 3.21Å; Y25-Y32 PolarHBondContact O-N 2.81Å; Y25-V33 HydrophobicContact CD2-CG1 3.88Å; Y25-V33 HydrophobicContact CG-CG1 3.95Å; Y25-V33 PolarHBondContact N-O 2.93Å; Y25-F42 HydrophobicContact CE2-CE1 4.12Å; Y25-W56 AromaticContact CD1-CH2 3.81Å; Y25-W56 HydrophobicContact CD1-CH2 3.81Å; Y25-W56 HydrophobicContact CD1-CZ3 4.42Å; Y25-W56 HydrophobicContact CD2-CH2 4.05Å; Y25-W56 AromaticContact CD2-CZ3 3.82Å; Y25-W56 HydrophobicContact CD2-CZ3 3.82Å; Y25-W56 AromaticContact CE1-CH2 3.61Å; Y25-W56 HydrophobicContact CE1-CH2 3.61Å; Y25-W56 HydrophobicContact CE1-CZ2 4.49Å; Y25-W56 HydrophobicContact CE1-CZ3 4.23Å; Y25-W56 AromaticContact CE2-CH2 3.91Å; Y25-W56 HydrophobicContact CE2-CH2 3.91Å; Y25-W56 AromaticContact CE2-CZ3 3.64Å; Y25-W56 HydrophobicContact CE2-CZ3 3.64Å; Y25-W56 HydrophobicContact CG-CH2 4.03Å; Y25-W56 HydrophobicContact CG-CZ3 4.25Å; Y25-W56 AromaticContact CZ-CH2 3.69Å; Y25-W56 AromaticContact CZ-CZ3 3.86Å
26	F	98.5	Very high	97.8	Very high	17 Å²	17	51.1 Å²	51.1	8%	0.075	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.2	-171.2	-59.3	-98.6	0	0	0	112.3	E4 Y5 T7 R24 E30 E31	E4-F26 WeakPolarHBondContact CA-O 3.27Å; Y5-F26 HydrophobicContact CD1-CB 3.85Å; Y5-F26 HydrophobicContact CD2-CB 4.21Å; Y5-F26 AromaticContact CD2-CD2 3.78Å; Y5-F26 HydrophobicContact CD2-CD2 3.78Å; Y5-F26 HydrophobicContact CD2-CE2 4.49Å; Y5-F26 HydrophobicContact CD2-CG 4.23Å; Y5-F26 HydrophobicContact CE1-CB 3.46Å; Y5-F26 VanDerWaalsContact CE1-CB 3.46Å; Y5-F26 HydrophobicContact CE1-CG 4.02Å; Y5-F26 HydrophobicContact CE2-CB 3.83Å; Y5-F26 HydrophobicContact CE2-CD1 4.26Å; Y5-F26 AromaticContact CE2-CD2 3.29Å; Y5-F26 HydrophobicContact CE2-CD2 3.29Å; Y5-F26 AromaticContact CE2-CE2 3.82Å; Y5-F26 HydrophobicContact CE2-CE2 3.82Å; Y5-F26 AromaticContact CE2-CG 3.55Å; Y5-F26 HydrophobicContact CE2-CG 3.55Å; Y5-F26 HydrophobicContact CE2-CZ 4.49Å; Y5-F26 HydrophobicContact CG-CB 4.22Å; Y5-F26 VanDerWaalsContact CZ-CB 3.43Å; Y5-F26 AromaticContact CZ-CD1 3.9Å; Y5-F26 AromaticContact CZ-CD2 3.72Å; Y5-F26 AromaticContact CZ-CG 3.42Å; Y5-F26 VanDerWaalsContact CZ-CG 3.42Å; Y5-F26 PolarHBondContact N-O 2.81Å; Y5-F26 VanDerWaalsContact N-O 3.08Å; Y5-F26 PolarHBondContact O-N 3.46Å; Y5-F26 WeakPolarHBondContact OH-CD1 3.49Å; Y5-F26 WeakPolarHBondContact OH-CG 3.33Å; T7-F26 HydrophobicContact CG2-CE2 4.03Å; R24-F26 HydrophobicContact CB-CD2 4.46Å; R24-F26 HydrophobicContact CB-CE2 3.56Å; R24-F26 HydrophobicContact CB-CZ 3.93Å; F26-E30 CarbonylContact C-O 3.49Å; F26-E30 VanDerWaalsContact CA-O 3.28Å; F26-E30 WeakPolarHBondContact CA-O 3.31Å; F26-E31 HydrophobicContact CD1-CB 3.64Å; F26-E31 HydrophobicContact CD1-CG 4.21Å; F26-E31 HydrophobicContact CE1-CB 3.53Å; F26-E31 HydrophobicContact CE1-CG 3.91Å; F26-E31 HydrophobicContact CG-CB 4.48Å; F26-E31 HydrophobicContact CZ-CB 4.28Å; F26-E31 HydrophobicContact CZ-CG 4.16Å
27	Y	97.8	Very high	98	Very high	80 Å²	80	51 Å²	51	31%	0.314	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	115.4	169.2	-175.5	-102.6	0	0	0	109.5	F2 Q29 E30 L48	F2-Y27 HydrophobicContact CB-CE2 4.38Å; F2-Y27 HydrophobicContact CD1-CE1 4.43Å; F2-Y27 HydrophobicContact CD1-CE2 4.49Å; F2-Y27 AromaticContact CD1-CZ 3.75Å; F2-Y27 WeakPolarHBondContact CD1-OH 2.99Å; F2-Y27 VanDerWaalsContact CE1-OH 3.31Å; F2-Y27 WeakPolarHBondContact CE1-OH 3.38Å; Y27-Q29 VanDerWaalsContact C-N 3.27Å; Y27-Q29 PolarHBondContact O-N 2.92Å; Y27-E30 PolarHBondContact N-O 3.2Å; Y27-E30 WeakPolarHBondContact O-CB 3.44Å; Y27-E30 PolarHBondContact O-N 3.05Å; Y27-L48 HydrophobicContact CD1-CD2 4.33Å; Y27-L48 HydrophobicContact CG-CD2 4.34Å
28	N	95.6	Very high	98.1	Very high	62 Å²	62	47.8 Å²	47.8	33%	0.332	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	44.4	-176.2	-57.1	-45.8	0	0	0	114.2	F2 L3 E30	F2-N28 WeakPolarHBondContact CA-OD1 3.03Å; L3-N28 PolarHBondContact N-OD1 3.47Å; L3-N28 PolarHBondContact O-N 3.04Å; N28-E30 PolarHBondContact O-N 3.32Å
29	Q	95.1	Very high	98.2	Very high	164 Å²	164	44.7 Å²	44.7	77%	0.766	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.8	-6.3	-177.1	-47.4	170.6	-3.9	0	0	115.1	Y27	Y27-Q29 VanDerWaalsContact C-N 3.27Å; Y27-Q29 PolarHBondContact O-N 2.92Å
30	E	97.6	Very high	98.1	Very high	98 Å²	98	44.7 Å²	44.7	46%	0.458	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	114.1	170.6	-174.1	179.4	169.5	0	0	109.1	F26 Y27 N28 Y32 T46	F26-E30 CarbonylContact C-O 3.49Å; F26-E30 VanDerWaalsContact CA-O 3.28Å; F26-E30 WeakPolarHBondContact CA-O 3.31Å; Y27-E30 PolarHBondContact N-O 3.2Å; Y27-E30 WeakPolarHBondContact O-CB 3.44Å; Y27-E30 PolarHBondContact O-N 3.05Å; N28-E30 PolarHBondContact O-N 3.32Å; E30-Y32 PolarHBondContact O-N 3.35Å; E30-T46 HydrophobicContact CG-CG2 3.98Å; E30-T46 WeakPolarHBondContact OE1-CB 3.38Å; E30-T46 VanDerWaalsContact OE1-CG2 3.26Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.43Å; E30-T46 PolarHBondContact OE1-OG1 2.77Å
31	E	98.5	Very high	98.1	Very high	20 Å²	20	44 Å²	44	9%	0.093	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	122.3	170.5	-170.9	-179.2	-179.1	0	0	109.4	R24 Y25 F26 R34 V45 T46	R24-E31 WeakPolarHBondContact CG-OE1 3.42Å; R24-E31 IonicContact CZ-OE1 2.85Å; R24-E31 IonicContact CZ-OE2 3.77Å; R24-E31 VanDerWaalsContact NE-CD 3.31Å; R24-E31 IonicContact NE-OE1 2.95Å; R24-E31 PolarHBondContact NE-OE1 2.82Å; R24-E31 IonicContact NE-OE2 3.1Å; R24-E31 PolarHBondContact NE-OE2 3Å; R24-E31 IonicContact NH2-OE1 3.39Å; R24-E31 IonicContact NH2-OE2 3.89Å; R24-E31 PolarHBondContact NH2-OE2 3.16Å; Y25-E31 CarbonylContact O-C 3.42Å; Y25-E31 WeakPolarHBondContact O-CA 3.5Å; F26-E31 HydrophobicContact CD1-CB 3.64Å; F26-E31 HydrophobicContact CD1-CG 4.21Å; F26-E31 HydrophobicContact CE1-CB 3.53Å; F26-E31 HydrophobicContact CE1-CG 3.91Å; F26-E31 HydrophobicContact CG-CB 4.48Å; F26-E31 HydrophobicContact CZ-CB 4.28Å; F26-E31 HydrophobicContact CZ-CG 4.16Å; E31-R34 IonicContact OE1-CZ 2.6Å; E31-R34 IonicContact OE1-NE 3.62Å; E31-R34 PolarHBondContact OE1-NE 2.9Å; E31-R34 IonicContact OE1-NH2 3.48Å; E31-R34 PolarHBondContact OE1-NH2 3.05Å; E31-R34 IonicContact OE2-CZ 2.72Å; E31-R34 IonicContact OE2-NE 3.15Å; E31-R34 IonicContact OE2-NH2 3.47Å; E31-R34 PolarHBondContact OE2-NH2 2.94Å; E31-V45 HydrophobicContact CB-CG1 4.47Å; E31-V45 HydrophobicContact CG-CB 4.44Å; E31-V45 HydrophobicContact CG-CG2 4.06Å; E31-V45 WeakPolarHBondContact O-CB 3.11Å; E31-V45 WeakPolarHBondContact O-CG1 3.07Å; E31-T46 WeakPolarHBondContact O-CG2 2.92Å
32	Y	98.5	Very high	98.1	Very high	15 Å²	15	43.7 Å²	43.7	6%	0.059	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-31.4	-174.6	65	-93.7	0	0	0	113.6	E4 Y25 E30 A44 V45 T46 L48 G49 D52	E4-Y32 PolarHBondContact OE1-OH 2.84Å; Y25-Y32 WeakPolarHBondContact O-CD1 3.21Å; Y25-Y32 PolarHBondContact O-N 2.81Å; E30-Y32 PolarHBondContact O-N 3.35Å; Y32-A44 CarbonylContact O-C 3.59Å; Y32-A44 WeakPolarHBondContact O-CA 3.43Å; Y32-V45 PolarHBondContact O-N 3.43Å; Y32-T46 PolarHBondContact O-N 3.04Å; Y32-L48 HydrophobicContact CD1-CD2 4.38Å; Y32-L48 HydrophobicContact CG-CD2 4.19Å; Y32-L48 HydrophobicContact CG-CG 4.36Å; Y32-G49 WeakPolarHBondContact O-CA 3.43Å; Y32-D52 WeakPolarHBondContact CE2-OD2 3.37Å
33	V	98.8	Very high	98.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	150.5	175.7	68.2	0	0	0	0	110.2	Y25 F42 R43 D52 W56	Y25-V33 HydrophobicContact CD2-CG1 3.88Å; Y25-V33 HydrophobicContact CG-CG1 3.95Å; Y25-V33 PolarHBondContact N-O 2.93Å; V33-F42 HydrophobicContact CG2-CB 4.26Å; V33-F42 HydrophobicContact CG2-CD1 4.29Å; V33-R43 WeakPolarHBondContact CA-O 3.27Å; V33-R43 WeakPolarHBondContact CG2-O 3.47Å; V33-D52 HydrophobicContact CG1-CB 4.26Å; V33-D52 HydrophobicContact CG2-CB 4.5Å; V33-W56 HydrophobicContact CG1-CE3 4.42Å; V33-W56 HydrophobicContact CG1-CH2 4.05Å; V33-W56 HydrophobicContact CG1-CZ3 3.57Å; V33-W56 HydrophobicContact CG2-CZ3 4.38Å
34	R	98.8	Very high	98.2	Very high	70 Å²	70	49.8 Å²	49.8	26%	0.264	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	151.1	173.5	66.6	173	69	165.8	4.6	112.5	D23 R24 E31 F42 R43 V45	D23-R34 CarbonylContact O-C 3.56Å; D23-R34 WeakPolarHBondContact O-CA 3.24Å; R24-R34 HydrophobicContact CB-CB 4.46Å; R24-R34 HydrophobicContact CG-CB 4.06Å; E31-R34 IonicContact OE1-CZ 2.6Å; E31-R34 IonicContact OE1-NE 3.62Å; E31-R34 PolarHBondContact OE1-NE 2.9Å; E31-R34 IonicContact OE1-NH2 3.48Å; E31-R34 PolarHBondContact OE1-NH2 3.05Å; E31-R34 IonicContact OE2-CZ 2.72Å; E31-R34 IonicContact OE2-NE 3.15Å; E31-R34 IonicContact OE2-NH2 3.47Å; E31-R34 PolarHBondContact OE2-NH2 2.94Å; R34-F42 CarbonylContact O-C 3.6Å; R34-F42 VanDerWaalsContact O-CA 3.23Å; R34-F42 WeakPolarHBondContact O-CA 3.28Å; R34-R43 PolarHBondContact N-O 2.84Å; R34-R43 PolarHBondContact O-N 3.02Å; R34-V45 HydrophobicContact CG-CG2 4.01Å
35	F	98.8	Very high	98.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.8	156.8	179.9	-95	0	0	0	109.5	F21 L22 D23 G40 F42 L63 E66 R67	F21-F35 HydrophobicContact CD1-CD1 4Å; F21-F35 HydrophobicContact CD1-CE1 4.11Å; F21-F35 HydrophobicContact CE1-CD1 4.29Å; L22-F35 WeakPolarHBondContact CA-O 3.47Å; D23-F35 HydrophobicContact CB-CB 4.25Å; D23-F35 PolarHBondContact N-O 2.02Å; D23-F35 PolarHBondContact O-N 3.5Å; F35-G40 VanDerWaalsContact CE2-C 3.49Å; F35-F42 HydrophobicContact CB-CD1 3.71Å; F35-F42 HydrophobicContact CB-CE1 3.54Å; F35-F42 HydrophobicContact CB-CE2 4.34Å; F35-F42 HydrophobicContact CB-CG 4.22Å; F35-F42 HydrophobicContact CB-CZ 3.87Å; F35-F42 HydrophobicContact CD2-CD2 4.12Å; F35-F42 HydrophobicContact CD2-CE2 4.08Å; F35-F42 HydrophobicContact CD2-CG 4.45Å; F35-F42 HydrophobicContact CD2-CZ 4.4Å; F35-F42 HydrophobicContact CG-CZ 4.44Å; F35-L63 HydrophobicContact CD2-CD1 4.26Å; F35-L63 HydrophobicContact CE2-CD1 3.81Å; F35-E66 HydrophobicContact CD1-CB 4.1Å; F35-E66 HydrophobicContact CD2-CB 3.91Å; F35-E66 HydrophobicContact CE1-CB 3.95Å; F35-E66 WeakPolarHBondContact CE1-O 3.34Å; F35-E66 HydrophobicContact CE2-CB 3.76Å; F35-E66 HydrophobicContact CG-CB 4.08Å; F35-E66 HydrophobicContact CZ-CB 3.79Å; F35-R67 HydrophobicContact CE2-CG 4.24Å; F35-R67 HydrophobicContact CZ-CB 4.47Å; F35-R67 HydrophobicContact CZ-CG 3.82Å
36	D	98.7	Very high	98.1	Very high	17 Å²	17	49.9 Å²	49.9	9%	0.091	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	120.1	173.8	-176.7	-7.5	0	0	0	109.1	R20 L22 D38 V39 G40	R20-D36 IonicContact CZ-OD1 3.11Å; R20-D36 IonicContact CZ-OD2 2.68Å; R20-D36 IonicContact NE-OD1 3.14Å; R20-D36 PolarHBondContact NE-OD1 2.66Å; R20-D36 IonicContact NE-OD2 3.7Å; R20-D36 PolarHBondContact NE-OD2 3.5Å; R20-D36 IonicContact NH2-OD1 3Å; R20-D36 IonicContact NH2-OD2 2.68Å; R20-D36 PolarHBondContact NH2-OD2 2.89Å; L22-D36 HydrophobicContact CD2-CB 3.64Å; D36-D38 PolarHBondContact O-N 3.05Å; D36-D38 PolarHBondContact OD1-N 2.98Å; D36-V39 HydrophobicContact CB-CB 4.24Å; D36-V39 HydrophobicContact CB-CG2 3.94Å; D36-V39 CarbonylContact O-C 3.6Å; D36-V39 WeakPolarHBondContact O-CA 3.24Å; D36-V39 PolarHBondContact O-N 2.83Å; D36-G40 PolarHBondContact O-N 2.87Å
37	S	98.5	Very high	98.1	Very high	27 Å²	27	55 Å²	55	19%	0.189	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.7	-178.2	66.7	0	0	0	0	113.6	R20 F21 V39	R20-S37 WeakPolarHBondContact CA-OG 3.44Å; F21-S37 PolarHBondContact N-OG 2.86Å; F21-S37 PolarHBondContact O-N 2.89Å; F21-S37 PolarHBondContact O-OG 2.85Å; S37-V39 PolarHBondContact O-N 2.75Å
38	D	98.1	Very high	98	Very high	83 Å²	83	55.5 Å²	55.5	44%	0.444	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.8	176	-78.1	8	0	0	0	111.5	R18 D36	R18-D38 IonicContact NH2-OD2 3.71Å; R18-D38 PolarHBondContact NH2-OD2 2.95Å; R18-D38 VanDerWaalsContact NH2-OD2 3.08Å; D36-D38 PolarHBondContact O-N 3.05Å; D36-D38 PolarHBondContact OD1-N 2.98Å
39	V	98.3	Very high	98.2	Very high	81 Å²	81	52.6 Å²	52.6	49%	0.491	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-38.6	175.4	-173.7	0	0	0	0	111.1	D36 S37 E41	D36-V39 HydrophobicContact CB-CB 4.24Å; D36-V39 HydrophobicContact CB-CG2 3.94Å; D36-V39 CarbonylContact O-C 3.6Å; D36-V39 WeakPolarHBondContact O-CA 3.24Å; D36-V39 PolarHBondContact O-N 2.83Å; S37-V39 PolarHBondContact O-N 2.75Å; V39-E41 HydrophobicContact CG1-CG 4.04Å
40	G	98.1	Very high	98.3	Very high	10 Å²	10	51 Å²	51	10%	0.103	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	17.7	177	0	0	0	0	0	115	F35 D36 R67	F35-G40 VanDerWaalsContact CE2-C 3.49Å; D36-G40 PolarHBondContact O-N 2.87Å; G40-R67 VanDerWaalsContact O-CZ 3.27Å; G40-R67 PolarHBondContact O-NE 3.46Å; G40-R67 PolarHBondContact O-NH2 2.97Å
41	E	98.5	Very high	98.4	Very high	59 Å²	59	50.2 Å²	50.2	28%	0.276	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	164.4	176.3	67.2	-171.8	-179.2	0	0	112.3	V39 R43 N57 L63	V39-E41 HydrophobicContact CG1-CG 4.04Å; E41-R43 IonicContact OE1-CZ 3.67Å; E41-R43 IonicContact OE1-NE 2.85Å; E41-R43 PolarHBondContact OE1-NE 3.32Å; E41-R43 VanDerWaalsContact OE1-NE 3.15Å; E41-R43 IonicContact OE1-NH2 3.62Å; E41-R43 PolarHBondContact OE1-NH2 2.84Å; E41-N57 WeakPolarHBondContact CB-OD1 3.14Å; E41-L63 HydrophobicContact CB-CD1 4.25Å
42	F	98.7	Very high	98.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	144.5	174.1	-70.9	-89.1	0	0	0	110.8	Y25 V33 R34 F35 E53 W56 N57 F62 L63 E66	Y25-F42 HydrophobicContact CE2-CE1 4.12Å; V33-F42 HydrophobicContact CG2-CB 4.26Å; V33-F42 HydrophobicContact CG2-CD1 4.29Å; R34-F42 CarbonylContact O-C 3.6Å; R34-F42 VanDerWaalsContact O-CA 3.23Å; R34-F42 WeakPolarHBondContact O-CA 3.28Å; F35-F42 HydrophobicContact CB-CD1 3.71Å; F35-F42 HydrophobicContact CB-CE1 3.54Å; F35-F42 HydrophobicContact CB-CE2 4.34Å; F35-F42 HydrophobicContact CB-CG 4.22Å; F35-F42 HydrophobicContact CB-CZ 3.87Å; F35-F42 HydrophobicContact CD2-CD2 4.12Å; F35-F42 HydrophobicContact CD2-CE2 4.08Å; F35-F42 HydrophobicContact CD2-CG 4.45Å; F35-F42 HydrophobicContact CD2-CZ 4.4Å; F35-F42 HydrophobicContact CG-CZ 4.44Å; F42-E53 WeakPolarHBondContact O-CG 2.93Å; F42-W56 AromaticContact CD1-CE3 3.37Å; F42-W56 HydrophobicContact CD1-CE3 3.37Å; F42-W56 AromaticContact CD1-CZ3 3.81Å; F42-W56 HydrophobicContact CD1-CZ3 3.81Å; F42-W56 HydrophobicContact CD2-CB 3.76Å; F42-W56 HydrophobicContact CD2-CE3 4.3Å; F42-W56 HydrophobicContact CE1-CD2 4.39Å; F42-W56 AromaticContact CE1-CE3 3.35Å; F42-W56 HydrophobicContact CE1-CE3 3.35Å; F42-W56 AromaticContact CE1-CZ3 3.63Å; F42-W56 HydrophobicContact CE1-CZ3 3.63Å; F42-W56 HydrophobicContact CE2-CB 4Å; F42-W56 HydrophobicContact CE2-CE3 4.31Å; F42-W56 HydrophobicContact CG-CB 4.18Å; F42-W56 AromaticContact CG-CE3 3.85Å; F42-W56 HydrophobicContact CG-CE3 3.85Å; F42-W56 AromaticContact CZ-CE3 3.86Å; F42-W56 HydrophobicContact CZ-CE3 3.86Å; F42-W56 HydrophobicContact CZ-CZ3 4.42Å; F42-N57 PolarHBondContact N-OD1 3.33Å; F42-N57 PolarHBondContact O-ND2 2.8Å; F42-F62 HydrophobicContact CD2-CE1 4.47Å; F42-F62 HydrophobicContact CE1-CE1 4.42Å; F42-F62 AromaticContact CE2-CD1 3.93Å; F42-F62 HydrophobicContact CE2-CD1 3.93Å; F42-F62 AromaticContact CE2-CE1 3.39Å; F42-F62 HydrophobicContact CE2-CE1 3.39Å; F42-F62 HydrophobicContact CE2-CZ 4.13Å; F42-F62 HydrophobicContact CZ-CD1 4.32Å; F42-F62 AromaticContact CZ-CE1 3.36Å; F42-F62 HydrophobicContact CZ-CE1 3.36Å; F42-F62 AromaticContact CZ-CZ 3.68Å; F42-F62 HydrophobicContact CZ-CZ 3.68Å; F42-L63 HydrophobicContact CD2-CD1 4.4Å; F42-E66 HydrophobicContact CE2-CG 3.87Å; F42-E66 HydrophobicContact CZ-CG 3.71Å
43	R	98.7	Very high	98.4	Very high	118 Å²	118	52.4 Å²	52.4	45%	0.445	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	127.9	175.6	-69.3	-60.7	-172.2	171.1	0.7	110.3	V33 R34 E41 V45 E53	V33-R43 WeakPolarHBondContact CA-O 3.27Å; V33-R43 WeakPolarHBondContact CG2-O 3.47Å; R34-R43 PolarHBondContact N-O 2.84Å; R34-R43 PolarHBondContact O-N 3.02Å; E41-R43 IonicContact OE1-CZ 3.67Å; E41-R43 IonicContact OE1-NE 2.85Å; E41-R43 PolarHBondContact OE1-NE 3.32Å; E41-R43 VanDerWaalsContact OE1-NE 3.15Å; E41-R43 IonicContact OE1-NH2 3.62Å; E41-R43 PolarHBondContact OE1-NH2 2.84Å; R43-V45 PolarHBondContact O-N 3.14Å; R43-E53 VanDerWaalsContact CD-OE1 3.24Å; R43-E53 WeakPolarHBondContact CD-OE1 3.35Å; R43-E53 IonicContact CZ-OE1 3.3Å; R43-E53 IonicContact NE-OE1 2.63Å; R43-E53 IonicContact NH1-OE1 2.63Å; R43-E53 PolarHBondContact NH1-OE1 2.87Å
44	A	98.5	Very high	98.4	Very high	28 Å²	28	59.5 Å²	59.5	23%	0.231	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	125.6	169.5	0	0	0	0	0	109	Y32 G49 R50 E53	Y32-A44 CarbonylContact O-C 3.59Å; Y32-A44 WeakPolarHBondContact O-CA 3.43Å; A44-G49 VanDerWaalsContact CB-C 3.49Å; A44-R50 HydrophobicContact CB-CG 4Å; A44-E53 HydrophobicContact CB-CB 4.16Å; A44-E53 WeakPolarHBondContact CB-OE2 3.39Å; A44-E53 PolarHBondContact N-OE2 3.12Å
45	V	98.4	Very high	98.3	Very high	65 Å²	65	62.8 Å²	62.8	39%	0.394	32%	0.315	S	S	.	.	S	Bend	trans	-86.7	-30.5	173.5	-179.1	0	0	0	0	109.8	E31 Y32 R34 R43	E31-V45 HydrophobicContact CB-CG1 4.47Å; E31-V45 HydrophobicContact CG-CB 4.44Å; E31-V45 HydrophobicContact CG-CG2 4.06Å; E31-V45 WeakPolarHBondContact O-CB 3.11Å; E31-V45 WeakPolarHBondContact O-CG1 3.07Å; Y32-V45 PolarHBondContact O-N 3.43Å; R34-V45 HydrophobicContact CG-CG2 4.01Å; R43-V45 PolarHBondContact O-N 3.14Å
46	T	98.1	Very high	98.3	Very high	34 Å²	34	64.8 Å²	64.8	21%	0.209	32%	0.322	C	S	.	.	S	Bend	trans	-135.9	169.1	177.4	73	0	0	0	0	110.7	E30 E31 Y32 L48 G49	E30-T46 HydrophobicContact CG-CG2 3.98Å; E30-T46 WeakPolarHBondContact OE1-CB 3.38Å; E30-T46 VanDerWaalsContact OE1-CG2 3.26Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.43Å; E30-T46 PolarHBondContact OE1-OG1 2.77Å; E31-T46 WeakPolarHBondContact O-CG2 2.92Å; Y32-T46 PolarHBondContact O-N 3.04Å; T46-L48 PolarHBondContact O-N 2.96Å; T46-L48 VanDerWaalsContact O-N 3.12Å; T46-G49 PolarHBondContact O-N 3.38Å; T46-G49 VanDerWaalsContact O-N 3.08Å
47	E	97.4	Very high	98.3	Very high	123 Å²	123	65.1 Å²	65.1	58%	0.575	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-55.3	-31.5	-179.9	-65.3	-61.4	129.7	0	0	113	G49 R50	E47-G49 VanDerWaalsContact C-N 3.25Å; E47-G49 PolarHBondContact O-N 2.88Å; E47-R50 VanDerWaalsContact CD-NH2 3.25Å; E47-R50 PolarHBondContact O-N 2.86Å; E47-R50 IonicContact OE1-CZ 3.12Å; E47-R50 IonicContact OE1-NE 3.64Å; E47-R50 PolarHBondContact OE1-NE 2.89Å; E47-R50 IonicContact OE1-NH2 3.09Å; E47-R50 PolarHBondContact OE1-NH2 2.85Å; E47-R50 IonicContact OE2-CZ 3.15Å; E47-R50 IonicContact OE2-NE 3.35Å; E47-R50 PolarHBondContact OE2-NE 3Å; E47-R50 VanDerWaalsContact OE2-NE 3.11Å; E47-R50 IonicContact OE2-NH1 3.39Å; E47-R50 PolarHBondContact OE2-NH1 3.37Å; E47-R50 VanDerWaalsContact OE2-NH1 3.09Å; E47-R50 IonicContact OE2-NH2 2.63Å; E47-R50 PolarHBondContact OE2-NH2 2.94Å; E47-R50 VanDerWaalsContact OE2-NH2 3.12Å
48	L	97.3	Very high	98.3	Very high	92 Å²	92	67.5 Å²	67.5	48%	0.482	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-60.8	-34.4	-179.8	-179.4	62.7	0	0	0	112.2	Y27 Y32 T46 P51	Y27-L48 HydrophobicContact CD1-CD2 4.33Å; Y27-L48 HydrophobicContact CG-CD2 4.34Å; Y32-L48 HydrophobicContact CD1-CD2 4.38Å; Y32-L48 HydrophobicContact CG-CD2 4.19Å; Y32-L48 HydrophobicContact CG-CG 4.36Å; T46-L48 PolarHBondContact O-N 2.96Å; T46-L48 VanDerWaalsContact O-N 3.12Å; L48-P51 WeakPolarHBondContact O-CD 3.37Å
49	G	98.4	Very high	98.3	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-89.2	-1.5	-176.4	0	0	0	0	0	115.7	Y32 A44 T46 E47 D52 E53	Y32-G49 WeakPolarHBondContact O-CA 3.43Å; A44-G49 VanDerWaalsContact CB-C 3.49Å; T46-G49 PolarHBondContact O-N 3.38Å; T46-G49 VanDerWaalsContact O-N 3.08Å; E47-G49 VanDerWaalsContact C-N 3.25Å; E47-G49 PolarHBondContact O-N 2.88Å; G49-D52 PolarHBondContact O-N 2.92Å; G49-E53 PolarHBondContact O-N 2.61Å
50	R	98.5	Very high	98.3	Very high	131 Å²	131	69 Å²	69	49%	0.494	34%	0.338	S	S	.	.	H	α-helix	trans	-57.9	-43.6	178.2	-71.4	-175.2	178.2	-179.4	5.5	113.4	A44 E47 D52 E53 E54	A44-R50 HydrophobicContact CB-CG 4Å; E47-R50 VanDerWaalsContact CD-NH2 3.25Å; E47-R50 PolarHBondContact O-N 2.86Å; E47-R50 IonicContact OE1-CZ 3.12Å; E47-R50 IonicContact OE1-NE 3.64Å; E47-R50 PolarHBondContact OE1-NE 2.89Å; E47-R50 IonicContact OE1-NH2 3.09Å; E47-R50 PolarHBondContact OE1-NH2 2.85Å; E47-R50 IonicContact OE2-CZ 3.15Å; E47-R50 IonicContact OE2-NE 3.35Å; E47-R50 PolarHBondContact OE2-NE 3Å; E47-R50 VanDerWaalsContact OE2-NE 3.11Å; E47-R50 IonicContact OE2-NH1 3.39Å; E47-R50 PolarHBondContact OE2-NH1 3.37Å; E47-R50 VanDerWaalsContact OE2-NH1 3.09Å; E47-R50 IonicContact OE2-NH2 2.63Å; E47-R50 PolarHBondContact OE2-NH2 2.94Å; E47-R50 VanDerWaalsContact OE2-NH2 3.12Å; R50-D52 VanDerWaalsContact C-N 3.28Å; R50-D52 PolarHBondContact O-N 3.47Å; R50-E53 PolarHBondContact O-N 2.81Å; R50-E54 WeakPolarHBondContact O-CG 3.27Å; R50-E54 PolarHBondContact O-N 3.13Å; R50-E54 VanDerWaalsContact O-N 3.1Å
51	P	98.5	Very high	98.3	Very high	82 Å²	82	74.6 Å²	74.6	53%	0.532	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-38.9	176.5	-22.3	35.1	0	0	0	112.4	L48 Y55	L48-P51 WeakPolarHBondContact O-CD 3.37Å; P51-Y55 VanDerWaalsContact O-CB 3.24Å; P51-Y55 WeakPolarHBondContact O-CB 3.41Å; P51-Y55 PolarHBondContact O-N 2.83Å
52	D	98.4	Very high	98.3	Very high	44 Å²	44	74.3 Å²	74.3	24%	0.235	36%	0.363	C	S	.	.	H	α-helix	trans	-72	-41.3	-180	-58.8	-50.4	0	0	0	111.8	Y32 V33 G49 R50 E54 Y55 W56	Y32-D52 WeakPolarHBondContact CE2-OD2 3.37Å; V33-D52 HydrophobicContact CG1-CB 4.26Å; V33-D52 HydrophobicContact CG2-CB 4.5Å; G49-D52 PolarHBondContact O-N 2.92Å; R50-D52 VanDerWaalsContact C-N 3.28Å; R50-D52 PolarHBondContact O-N 3.47Å; D52-E54 PolarHBondContact O-N 3.47Å; D52-Y55 PolarHBondContact O-N 3.23Å; D52-W56 HydrophobicContact CB-CD2 4.22Å; D52-W56 HydrophobicContact CB-CE3 4.23Å; D52-W56 HydrophobicContact CB-CH2 4.36Å; D52-W56 HydrophobicContact CB-CZ2 4.31Å; D52-W56 HydrophobicContact CB-CZ3 4.33Å; D52-W56 VanDerWaalsContact O-CB 3.26Å; D52-W56 WeakPolarHBondContact O-CB 3.05Å; D52-W56 VanDerWaalsContact O-CG 3.32Å; D52-W56 PolarHBondContact O-N 2.63Å
53	E	98.6	Very high	98.2	Very high	37 Å²	37	74.5 Å²	74.5	17%	0.173	36%	0.364	C	S	.	.	H	α-helix	trans	-54.7	-51.3	172.1	172.4	174.9	-174.8	0	0	111.1	F42 R43 A44 G49 R50 N57	F42-E53 WeakPolarHBondContact O-CG 2.93Å; R43-E53 VanDerWaalsContact CD-OE1 3.24Å; R43-E53 WeakPolarHBondContact CD-OE1 3.35Å; R43-E53 IonicContact CZ-OE1 3.3Å; R43-E53 IonicContact NE-OE1 2.63Å; R43-E53 IonicContact NH1-OE1 2.63Å; R43-E53 PolarHBondContact NH1-OE1 2.87Å; A44-E53 HydrophobicContact CB-CB 4.16Å; A44-E53 WeakPolarHBondContact CB-OE2 3.39Å; A44-E53 PolarHBondContact N-OE2 3.12Å; G49-E53 PolarHBondContact O-N 2.61Å; R50-E53 PolarHBondContact O-N 2.81Å; E53-N57 WeakPolarHBondContact O-CB 3.31Å; E53-N57 VanDerWaalsContact O-CG 3.25Å; E53-N57 PolarHBondContact O-N 3.44Å; E53-N57 VanDerWaalsContact O-N 3.15Å; E53-N57 PolarHBondContact O-ND2 3.24Å; E53-N57 VanDerWaalsContact O-ND2 3.07Å
54	E	98.2	Very high	98.2	Very high	149 Å²	149	74.6 Å²	74.6	70%	0.696	37%	0.369	S	S	*	.	H	α-helix	trans	-63.2	-47.3	-179.7	-71.9	179.8	-173.2	0	0	111.7	R50 D52 S58	R50-E54 WeakPolarHBondContact O-CG 3.27Å; R50-E54 PolarHBondContact O-N 3.13Å; R50-E54 VanDerWaalsContact O-N 3.1Å; D52-E54 PolarHBondContact O-N 3.47Å; E54-S58 WeakPolarHBondContact O-CB 3.13Å; E54-S58 PolarHBondContact O-N 2.72Å
55	Y	98.5	Very high	98.2	Very high	139 Å²	139	78.6 Å²	78.6	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-67.8	-50.3	-176.3	-178.4	-117.5	0	0	0	112	P51 D52 S58 Q59	P51-Y55 VanDerWaalsContact O-CB 3.24Å; P51-Y55 WeakPolarHBondContact O-CB 3.41Å; P51-Y55 PolarHBondContact O-N 2.83Å; D52-Y55 PolarHBondContact O-N 3.23Å; Y55-S58 WeakPolarHBondContact O-CB 3.36Å; Y55-S58 PolarHBondContact O-N 3.36Å; Y55-S58 PolarHBondContact O-OG 2.84Å; Y55-Q59 PolarHBondContact O-N 2.99Å; Y55-Q59 PolarHBondContact OH-NE2 3.41Å
56	W	98.5	Very high	98.2	Very high	41 Å²	41	76.7 Å²	76.7	16%	0.155	37%	0.374	C	S	.	.	H	α-helix	trans	-69.1	-37.7	-176.8	-64.6	-16.4	0	0	0	112.5	Y25 V33 F42 D52 S58 Q59 F62	Y25-W56 AromaticContact CD1-CH2 3.81Å; Y25-W56 HydrophobicContact CD1-CH2 3.81Å; Y25-W56 HydrophobicContact CD1-CZ3 4.42Å; Y25-W56 HydrophobicContact CD2-CH2 4.05Å; Y25-W56 AromaticContact CD2-CZ3 3.82Å; Y25-W56 HydrophobicContact CD2-CZ3 3.82Å; Y25-W56 AromaticContact CE1-CH2 3.61Å; Y25-W56 HydrophobicContact CE1-CH2 3.61Å; Y25-W56 HydrophobicContact CE1-CZ2 4.49Å; Y25-W56 HydrophobicContact CE1-CZ3 4.23Å; Y25-W56 AromaticContact CE2-CH2 3.91Å; Y25-W56 HydrophobicContact CE2-CH2 3.91Å; Y25-W56 AromaticContact CE2-CZ3 3.64Å; Y25-W56 HydrophobicContact CE2-CZ3 3.64Å; Y25-W56 HydrophobicContact CG-CH2 4.03Å; Y25-W56 HydrophobicContact CG-CZ3 4.25Å; Y25-W56 AromaticContact CZ-CH2 3.69Å; Y25-W56 AromaticContact CZ-CZ3 3.86Å; V33-W56 HydrophobicContact CG1-CE3 4.42Å; V33-W56 HydrophobicContact CG1-CH2 4.05Å; V33-W56 HydrophobicContact CG1-CZ3 3.57Å; V33-W56 HydrophobicContact CG2-CZ3 4.38Å; F42-W56 AromaticContact CD1-CE3 3.37Å; F42-W56 HydrophobicContact CD1-CE3 3.37Å; F42-W56 AromaticContact CD1-CZ3 3.81Å; F42-W56 HydrophobicContact CD1-CZ3 3.81Å; F42-W56 HydrophobicContact CD2-CB 3.76Å; F42-W56 HydrophobicContact CD2-CE3 4.3Å; F42-W56 HydrophobicContact CE1-CD2 4.39Å; F42-W56 AromaticContact CE1-CE3 3.35Å; F42-W56 HydrophobicContact CE1-CE3 3.35Å; F42-W56 AromaticContact CE1-CZ3 3.63Å; F42-W56 HydrophobicContact CE1-CZ3 3.63Å; F42-W56 HydrophobicContact CE2-CB 4Å; F42-W56 HydrophobicContact CE2-CE3 4.31Å; F42-W56 HydrophobicContact CG-CB 4.18Å; F42-W56 AromaticContact CG-CE3 3.85Å; F42-W56 HydrophobicContact CG-CE3 3.85Å; F42-W56 AromaticContact CZ-CE3 3.86Å; F42-W56 HydrophobicContact CZ-CE3 3.86Å; F42-W56 HydrophobicContact CZ-CZ3 4.42Å; D52-W56 HydrophobicContact CB-CD2 4.22Å; D52-W56 HydrophobicContact CB-CE3 4.23Å; D52-W56 HydrophobicContact CB-CH2 4.36Å; D52-W56 HydrophobicContact CB-CZ2 4.31Å; D52-W56 HydrophobicContact CB-CZ3 4.33Å; D52-W56 VanDerWaalsContact O-CB 3.26Å; D52-W56 WeakPolarHBondContact O-CB 3.05Å; D52-W56 VanDerWaalsContact O-CG 3.32Å; D52-W56 PolarHBondContact O-N 2.63Å; W56-S58 PolarHBondContact O-N 3.01Å; W56-Q59 PolarHBondContact O-N 2.88Å; W56-Q59 VanDerWaalsContact O-N 3.1Å; W56-F62 HydrophobicContact CB-CD1 4.04Å; W56-F62 HydrophobicContact CB-CE1 3.91Å; W56-F62 HydrophobicContact CD2-CE1 4.08Å; W56-F62 HydrophobicContact CE3-CE1 4.47Å; W56-F62 HydrophobicContact CG-CD1 4.26Å; W56-F62 AromaticContact CG-CE1 3.83Å; W56-F62 HydrophobicContact CG-CE1 3.83Å
57	N	98.6	Very high	98.2	Very high	24 Å²	24	80.9 Å²	80.9	13%	0.128	39%	0.386	C	S	.	.	H	α-helix	trans	-69.2	-19.4	175.2	-71.1	-29.4	0	0	0	113.3	E41 F42 E53 Q59 K60	E41-N57 WeakPolarHBondContact CB-OD1 3.14Å; F42-N57 PolarHBondContact N-OD1 3.33Å; F42-N57 PolarHBondContact O-ND2 2.8Å; E53-N57 WeakPolarHBondContact O-CB 3.31Å; E53-N57 VanDerWaalsContact O-CG 3.25Å; E53-N57 PolarHBondContact O-N 3.44Å; E53-N57 VanDerWaalsContact O-N 3.15Å; E53-N57 PolarHBondContact O-ND2 3.24Å; E53-N57 VanDerWaalsContact O-ND2 3.07Å; N57-Q59 VanDerWaalsContact C-N 3.35Å; N57-K60 PolarHBondContact O-NZ 2.85Å
58	S	98.3	Very high	98.3	Very high	77 Å²	77	76.8 Å²	76.8	54%	0.538	37%	0.373	S	S	.	.	H	α-helix	trans	-75.6	-23.7	172.8	82.6	0	0	0	0	113	E54 Y55 W56 K60	E54-S58 WeakPolarHBondContact O-CB 3.13Å; E54-S58 PolarHBondContact O-N 2.72Å; Y55-S58 WeakPolarHBondContact O-CB 3.36Å; Y55-S58 PolarHBondContact O-N 3.36Å; Y55-S58 PolarHBondContact O-OG 2.84Å; W56-S58 PolarHBondContact O-N 3.01Å; S58-K60 PolarHBondContact O-N 3.28Å
59	Q	98.4	Very high	98.3	Very high	68 Å²	68	72.9 Å²	72.9	32%	0.318	35%	0.354	S	S	.	.			trans	-86.6	101.1	178.8	-62.2	-169.9	0.4	0	0	110.9	Y55 W56 N57 F62 L63	Y55-Q59 PolarHBondContact O-N 2.99Å; Y55-Q59 PolarHBondContact OH-NE2 3.41Å; W56-Q59 PolarHBondContact O-N 2.88Å; W56-Q59 VanDerWaalsContact O-N 3.1Å; N57-Q59 VanDerWaalsContact C-N 3.35Å; Q59-F62 HydrophobicContact CB-CB 3.93Å; Q59-L63 WeakPolarHBondContact O-CB 3.41Å; Q59-L63 PolarHBondContact O-N 3.43Å; Q59-L63 VanDerWaalsContact O-N 3.07Å
60	K	97.6	Very high	98.3	Very high	129 Å²	129	73.7 Å²	73.7	56%	0.561	36%	0.359	S	S	*	.	H	α-helix	trans	-65.9	-44.5	-174	-62.3	-55.7	176.9	-158.5	0	113.6	N57 S58 F62 L63 E64	N57-K60 PolarHBondContact O-NZ 2.85Å; S58-K60 PolarHBondContact O-N 3.28Å; K60-F62 VanDerWaalsContact C-N 3.35Å; K60-F62 PolarHBondContact O-N 3.01Å; K60-L63 PolarHBondContact O-N 3.25Å; K60-E64 WeakPolarHBondContact O-CG 3.5Å; K60-E64 PolarHBondContact O-N 3.23Å
61	D	98.1	Very high	98.3	Very high	126 Å²	126	72 Å²	72	67%	0.674	36%	0.36	S	S	*	.	H	α-helix	trans	-61.2	-45.8	-179.6	-55.4	-16	0	0	0	110.9	L63 E64 D65	D61-L63 PolarHBondContact O-N 3.16Å; D61-E64 PolarHBondContact O-N 2.77Å; D61-D65 PolarHBondContact O-N 3.44Å
62	F	97.9	Very high	98.3	Very high	54 Å²	54	72.6 Å²	72.6	24%	0.237	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-44.4	177.6	-178.6	-122.4	0	0	0	112.3	F42 W56 Q59 K60 E64 D65 E66	F42-F62 HydrophobicContact CD2-CE1 4.47Å; F42-F62 HydrophobicContact CE1-CE1 4.42Å; F42-F62 AromaticContact CE2-CD1 3.93Å; F42-F62 HydrophobicContact CE2-CD1 3.93Å; F42-F62 AromaticContact CE2-CE1 3.39Å; F42-F62 HydrophobicContact CE2-CE1 3.39Å; F42-F62 HydrophobicContact CE2-CZ 4.13Å; F42-F62 HydrophobicContact CZ-CD1 4.32Å; F42-F62 AromaticContact CZ-CE1 3.36Å; F42-F62 HydrophobicContact CZ-CE1 3.36Å; F42-F62 AromaticContact CZ-CZ 3.68Å; F42-F62 HydrophobicContact CZ-CZ 3.68Å; W56-F62 HydrophobicContact CB-CD1 4.04Å; W56-F62 HydrophobicContact CB-CE1 3.91Å; W56-F62 HydrophobicContact CD2-CE1 4.08Å; W56-F62 HydrophobicContact CE3-CE1 4.47Å; W56-F62 HydrophobicContact CG-CD1 4.26Å; W56-F62 AromaticContact CG-CE1 3.83Å; W56-F62 HydrophobicContact CG-CE1 3.83Å; Q59-F62 HydrophobicContact CB-CB 3.93Å; K60-F62 VanDerWaalsContact C-N 3.35Å; K60-F62 PolarHBondContact O-N 3.01Å; F62-E64 VanDerWaalsContact C-N 3.3Å; F62-E64 PolarHBondContact O-N 3.2Å; F62-D65 PolarHBondContact O-N 3.24Å; F62-E66 HydrophobicContact CE1-CG 4.42Å; F62-E66 HydrophobicContact CE2-CG 4.14Å; F62-E66 HydrophobicContact CZ-CG 4.09Å; F62-E66 WeakPolarHBondContact O-CG 3.37Å; F62-E66 PolarHBondContact O-N 3.42Å
63	L	98.1	Very high	98.3	Very high	4 Å²	4	75.7 Å²	75.7	2%	0.021	37%	0.371	C	S	.	.	H	α-helix	trans	-65.5	-33.5	178.3	-176.5	61.3	0	0	0	112.7	F35 E41 F42 Q59 K60 D61 R67	F35-L63 HydrophobicContact CD2-CD1 4.26Å; F35-L63 HydrophobicContact CE2-CD1 3.81Å; E41-L63 HydrophobicContact CB-CD1 4.25Å; F42-L63 HydrophobicContact CD2-CD1 4.4Å; Q59-L63 WeakPolarHBondContact O-CB 3.41Å; Q59-L63 PolarHBondContact O-N 3.43Å; Q59-L63 VanDerWaalsContact O-N 3.07Å; K60-L63 PolarHBondContact O-N 3.25Å; D61-L63 PolarHBondContact O-N 3.16Å; L63-R67 WeakPolarHBondContact O-CD 3.41Å; L63-R67 WeakPolarHBondContact O-CG 3.35Å; L63-R67 PolarHBondContact O-N 3.43Å; L63-R67 VanDerWaalsContact O-N 3.15Å
64	E	98.3	Very high	98.3	Very high	119 Å²	119	74 Å²	74	56%	0.556	36%	0.363	S	S	*	.	H	α-helix	trans	-70	-39.5	174.2	-73.8	-177.2	170.2	0	0	112.1	K60 D61 F62 R67 A68	K60-E64 WeakPolarHBondContact O-CG 3.5Å; K60-E64 PolarHBondContact O-N 3.23Å; D61-E64 PolarHBondContact O-N 2.77Å; F62-E64 VanDerWaalsContact C-N 3.3Å; F62-E64 PolarHBondContact O-N 3.2Å; E64-R67 PolarHBondContact O-N 2.93Å; E64-A68 WeakPolarHBondContact O-CB 3.39Å; E64-A68 PolarHBondContact O-N 2.9Å
65	D	98.2	Very high	98.3	Very high	113 Å²	113	69.2 Å²	69.2	60%	0.604	34%	0.339	S	S	*	.	H	α-helix	trans	-60.9	-45	174	-75.2	-21.2	0	0	0	111.7	D61 F62 R67 A68 A69	D61-D65 PolarHBondContact O-N 3.44Å; F62-D65 PolarHBondContact O-N 3.24Å; D65-R67 PolarHBondContact O-N 3.08Å; D65-A68 PolarHBondContact O-N 2.84Å; D65-A68 VanDerWaalsContact O-N 3.13Å; D65-A69 PolarHBondContact O-N 3.04Å
66	E	98.2	Very high	98.3	Very high	24 Å²	24	67.9 Å²	67.9	11%	0.112	34%	0.337	C	S	.	.	H	α-helix	trans	-61.8	-40.8	176.5	-72.5	-66.4	146.3	0	0	112.3	F21 F35 F42 F62 A68 A69	F21-E66 WeakPolarHBondContact CE1-OE2 3.49Å; F35-E66 HydrophobicContact CD1-CB 4.1Å; F35-E66 HydrophobicContact CD2-CB 3.91Å; F35-E66 HydrophobicContact CE1-CB 3.95Å; F35-E66 WeakPolarHBondContact CE1-O 3.34Å; F35-E66 HydrophobicContact CE2-CB 3.76Å; F35-E66 HydrophobicContact CG-CB 4.08Å; F35-E66 HydrophobicContact CZ-CB 3.79Å; F42-E66 HydrophobicContact CE2-CG 3.87Å; F42-E66 HydrophobicContact CZ-CG 3.71Å; F62-E66 HydrophobicContact CE1-CG 4.42Å; F62-E66 HydrophobicContact CE2-CG 4.14Å; F62-E66 HydrophobicContact CZ-CG 4.09Å; F62-E66 WeakPolarHBondContact O-CG 3.37Å; F62-E66 PolarHBondContact O-N 3.42Å; E66-A68 VanDerWaalsContact C-N 3.31Å; E66-A68 PolarHBondContact O-N 2.82Å; E66-A69 VanDerWaalsContact O-CB 3.28Å; E66-A69 WeakPolarHBondContact O-CB 3.26Å; E66-A69 PolarHBondContact O-N 2.85Å
67	R	98.4	Very high	98.2	Very high	123 Å²	123	68.9 Å²	68.9	46%	0.464	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-37.6	173.9	-72	165.4	178.7	176	-1.4	111.9	F35 G40 L63 E64 D65 A69	F35-R67 HydrophobicContact CE2-CG 4.24Å; F35-R67 HydrophobicContact CZ-CB 4.47Å; F35-R67 HydrophobicContact CZ-CG 3.82Å; G40-R67 VanDerWaalsContact O-CZ 3.27Å; G40-R67 PolarHBondContact O-NE 3.46Å; G40-R67 PolarHBondContact O-NH2 2.97Å; L63-R67 WeakPolarHBondContact O-CD 3.41Å; L63-R67 WeakPolarHBondContact O-CG 3.35Å; L63-R67 PolarHBondContact O-N 3.43Å; L63-R67 VanDerWaalsContact O-N 3.15Å; E64-R67 PolarHBondContact O-N 2.93Å; D65-R67 PolarHBondContact O-N 3.08Å; R67-A69 VanDerWaalsContact C-N 3.29Å; R67-A69 PolarHBondContact O-N 3.12Å
68	A	98.6	Very high	98.2	Very high	37 Å²	37	69.1 Å²	69.1	31%	0.306	35%	0.345	S	S	.	.	H	α-helix	trans	-73.2	-19.7	179.1	0	0	0	0	0	113.2	E64 D65 E66 V70 D71 T72	E64-A68 WeakPolarHBondContact O-CB 3.39Å; E64-A68 PolarHBondContact O-N 2.9Å; D65-A68 PolarHBondContact O-N 2.84Å; D65-A68 VanDerWaalsContact O-N 3.13Å; E66-A68 VanDerWaalsContact C-N 3.31Å; E66-A68 PolarHBondContact O-N 2.82Å; A68-V70 PolarHBondContact O-N 2.63Å; A68-D71 PolarHBondContact O-N 3.11Å; A68-T72 HydrophobicContact CB-CG2 4.16Å; A68-T72 PolarHBondContact O-N 3.01Å; A68-T72 PolarHBondContact O-OG1 2.93Å; A68-T72 VanDerWaalsContact O-OG1 3.09Å
69	A	98.5	Very high	98.1	Very high	9 Å²	9	72.3 Å²	72.3	7%	0.074	35%	0.345	C	S	.	.	H	α-helix	trans	-56.6	-25.9	-178	0	0	0	0	0	113.9	F21 D65 E66 R67 D71 T72 Y73 C74	F21-A69 HydrophobicContact CD1-CB 3.56Å; F21-A69 HydrophobicContact CD2-CB 4.49Å; F21-A69 HydrophobicContact CE1-CB 3.46Å; F21-A69 VanDerWaalsContact CE1-CB 3.46Å; F21-A69 HydrophobicContact CE2-CB 4.4Å; F21-A69 HydrophobicContact CG-CB 4.09Å; F21-A69 HydrophobicContact CZ-CB 3.91Å; D65-A69 PolarHBondContact O-N 3.04Å; E66-A69 VanDerWaalsContact O-CB 3.28Å; E66-A69 WeakPolarHBondContact O-CB 3.26Å; E66-A69 PolarHBondContact O-N 2.85Å; R67-A69 VanDerWaalsContact C-N 3.29Å; R67-A69 PolarHBondContact O-N 3.12Å; A69-D71 PolarHBondContact O-N 3.17Å; A69-T72 WeakPolarHBondContact CA-OG1 3.12Å; A69-Y73 CarbonylContact O-C 3.57Å; A69-Y73 WeakPolarHBondContact O-CA 3.42Å; A69-Y73 VanDerWaalsContact O-CB 3.28Å; A69-Y73 WeakPolarHBondContact O-CB 3.3Å; A69-Y73 PolarHBondContact O-N 3.31Å; A69-C74 PolarHBondContact O-N 3.32Å
70	V	98.6	Very high	98.1	Very high	18 Å²	18	73 Å²	73	11%	0.109	35%	0.354	C	S	.	.	I	π-helix	trans	-56.8	-38.8	173.3	-176.5	0	0	0	0	111.4	V19 F21 A68 C74 R75	V19-V70 HydrophobicContact CB-CG1 3.89Å; V19-V70 HydrophobicContact CG1-CG1 4.03Å; F21-V70 HydrophobicContact CB-CG2 3.78Å; A68-V70 PolarHBondContact O-N 2.63Å; V70-C74 WeakPolarHBondContact O-CB 3.26Å; V70-R75 VanDerWaalsContact C-NH1 3.34Å; V70-R75 PolarHBondContact O-N 3.39Å; V70-R75 PolarHBondContact O-NH1 3.12Å
71	D	98.4	Very high	98	Very high	96 Å²	96	68.9 Å²	68.9	51%	0.513	34%	0.339	S	S	.	.	I	π-helix	trans	-95.3	-49.6	178.3	-69.4	-52.4	0	0	0	112.3	A68 A69 Y73 R75 H76	A68-D71 PolarHBondContact O-N 3.11Å; A69-D71 PolarHBondContact O-N 3.17Å; D71-Y73 PolarHBondContact O-N 3.33Å; D71-R75 WeakPolarHBondContact OD1-CD 3.42Å; D71-R75 IonicContact OD1-CZ 3.46Å; D71-R75 VanDerWaalsContact OD1-CZ 3.3Å; D71-R75 IonicContact OD1-NE 3.39Å; D71-R75 IonicContact OD1-NH1 2.7Å; D71-R75 PolarHBondContact OD1-NH1 2.95Å; D71-H76 PolarHBondContact O-N 3.36Å
72	T	98	Very high	98	Very high	94 Å²	94	64.8 Å²	64.8	58%	0.577	32%	0.316	S	S	*	.	I	π-helix	trans	-74.2	-28.9	-171	61.7	0	0	0	0	112.9	A68 A69 H76	A68-T72 HydrophobicContact CB-CG2 4.16Å; A68-T72 PolarHBondContact O-N 3.01Å; A68-T72 PolarHBondContact O-OG1 2.93Å; A68-T72 VanDerWaalsContact O-OG1 3.09Å; A69-T72 WeakPolarHBondContact CA-OG1 3.12Å; T72-H76 WeakPolarHBondContact O-CB 3.38Å
73	Y	98.1	Very high	97.9	Very high	108 Å²	108	65.9 Å²	65.9	42%	0.424	33%	0.33	S	S	.	.	I	π-helix	trans	-108	-62.2	178.8	-177.4	-99.3	0	0	0	111.4	F21 A69 D71 N77	F21-Y73 HydrophobicContact CE2-CD1 4.07Å; F21-Y73 HydrophobicContact CE2-CE1 4.42Å; A69-Y73 CarbonylContact O-C 3.57Å; A69-Y73 WeakPolarHBondContact O-CA 3.42Å; A69-Y73 VanDerWaalsContact O-CB 3.28Å; A69-Y73 WeakPolarHBondContact O-CB 3.3Å; A69-Y73 PolarHBondContact O-N 3.31Å; D71-Y73 PolarHBondContact O-N 3.33Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.46Å; Y73-N77 VanDerWaalsContact O-CB 3.3Å; Y73-N77 WeakPolarHBondContact O-CB 3.36Å; Y73-N77 PolarHBondContact O-N 3.08Å; Y73-N77 PolarHBondContact O-ND2 2.83Å
74	C	98.5	Very high	97.7	Very high	1 Å²	1	70.9 Å²	70.9	1%	0.007	35%	0.352	C	S	.	.	I	π-helix	trans	-65.7	-57.8	-171	-66.9	0	0	0	0	112.8	C10 F12 V19 F21 A69 V70 N77 Y78	C10-C74 HydrophobicContact CB-CB 3.66Å; C10-C74 WeakPolarHBondContact CB-SG 3.32Å; C10-C74 WeakPolarHBondContact SG-CA 3.46Å; C10-C74 WeakPolarHBondContact SG-CB 3.48Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 2.94Å; F12-C74 HydrophobicContact CE1-CB 4.28Å; F12-C74 HydrophobicContact CZ-CB 4.08Å; F12-C74 WeakPolarHBondContact CZ-O 3.38Å; V19-C74 HydrophobicContact CG1-CB 3.6Å; F21-C74 WeakPolarHBondContact CD2-SG 3.32Å; A69-C74 PolarHBondContact O-N 3.32Å; V70-C74 WeakPolarHBondContact O-CB 3.26Å; C74-N77 PolarHBondContact O-N 2.68Å; C74-Y78 WeakPolarHBondContact O-CB 3.28Å; C74-Y78 PolarHBondContact O-N 3Å
75	R	98.5	Very high	97.6	Very high	50 Å²	50	66.5 Å²	66.5	19%	0.189	33%	0.333	C	S	.	.	I	π-helix	trans	-65	-43	179.6	-72.8	-172.9	-169.7	83.6	-11	111.6	T16 V19 V70 D71 N77 Y78 W79	T16-R75 HydrophobicContact CG2-CG 4.49Å; T16-R75 PolarHBondContact O-NE 3.35Å; T16-R75 VanDerWaalsContact O-NE 3.16Å; V19-R75 HydrophobicContact CG2-CG 3.97Å; V70-R75 VanDerWaalsContact C-NH1 3.34Å; V70-R75 PolarHBondContact O-N 3.39Å; V70-R75 PolarHBondContact O-NH1 3.12Å; D71-R75 WeakPolarHBondContact OD1-CD 3.42Å; D71-R75 IonicContact OD1-CZ 3.46Å; D71-R75 VanDerWaalsContact OD1-CZ 3.3Å; D71-R75 IonicContact OD1-NE 3.39Å; D71-R75 IonicContact OD1-NH1 2.7Å; D71-R75 PolarHBondContact OD1-NH1 2.95Å; R75-N77 PolarHBondContact O-N 2.68Å; R75-Y78 WeakPolarHBondContact O-CB 3.33Å; R75-Y78 PolarHBondContact O-N 2.85Å; R75-W79 PolarHBondContact O-N 2.91Å
76	H	97.9	Very high	97.5	Very high	110 Å²	110	64 Å²	64	51%	0.509	32%	0.322	S	S	.	.	H	α-helix	trans	-51.8	-55.6	175.5	178.6	75.7	0	0	0	111.8	D71 T72 Y78 W79 V80	D71-H76 PolarHBondContact O-N 3.36Å; T72-H76 WeakPolarHBondContact O-CB 3.38Å; H76-Y78 PolarHBondContact O-N 2.86Å; H76-W79 PolarHBondContact O-N 3.43Å; H76-V80 VanDerWaalsContact O-CG2 3.29Å; H76-V80 WeakPolarHBondContact O-CG2 3.33Å; H76-V80 PolarHBondContact O-N 2.77Å; H76-V80 VanDerWaalsContact O-N 3.08Å
77	N	98.1	Very high	97.4	Very high	62 Å²	62	68 Å²	68	33%	0.332	34%	0.341	S	S	.	.	H	α-helix	trans	-64.4	-40.7	-179.4	-78.3	-71.5	0	0	0	112	Y73 C74 R75 W79 V80 V81	Y73-N77 WeakPolarHBondContact CD2-ND2 3.46Å; Y73-N77 VanDerWaalsContact O-CB 3.3Å; Y73-N77 WeakPolarHBondContact O-CB 3.36Å; Y73-N77 PolarHBondContact O-N 3.08Å; Y73-N77 PolarHBondContact O-ND2 2.83Å; C74-N77 PolarHBondContact O-N 2.68Å; R75-N77 PolarHBondContact O-N 2.68Å; N77-W79 VanDerWaalsContact C-N 3.33Å; N77-W79 PolarHBondContact O-N 2.85Å; N77-V80 PolarHBondContact O-N 2.7Å; N77-V81 VanDerWaalsContact O-CG2 3.24Å; N77-V81 WeakPolarHBondContact O-CG2 3.33Å; N77-V81 PolarHBondContact O-N 3.39Å
78	Y	97.8	Very high	97.3	Very high	29 Å²	29	66.3 Å²	66.3	11%	0.114	33%	0.334	C	S	.	.	H	α-helix	trans	-51.8	-52.9	175.3	-174.9	-78.6	0	0	0	110.7	F12 T16 C74 R75 H76 V80 V81 E82 V86	F12-Y78 HydrophobicContact CB-CE2 4.39Å; F12-Y78 AromaticContact CD1-CD2 3.5Å; F12-Y78 HydrophobicContact CD1-CD2 3.5Å; F12-Y78 VanDerWaalsContact CD1-CD2 3.5Å; F12-Y78 HydrophobicContact CD1-CE2 4.04Å; F12-Y78 HydrophobicContact CD1-CG 4.2Å; F12-Y78 HydrophobicContact CD2-CD2 4.02Å; F12-Y78 HydrophobicContact CD2-CE2 4.49Å; F12-Y78 AromaticContact CE1-CD2 3.51Å; F12-Y78 HydrophobicContact CE1-CD2 3.51Å; F12-Y78 HydrophobicContact CE1-CE2 4.48Å; F12-Y78 AromaticContact CE1-CG 3.89Å; F12-Y78 HydrophobicContact CE1-CG 3.89Å; F12-Y78 HydrophobicContact CE2-CD2 4.01Å; F12-Y78 AromaticContact CG-CD2 3.77Å; F12-Y78 HydrophobicContact CG-CD2 3.77Å; F12-Y78 HydrophobicContact CG-CE2 4.05Å; F12-Y78 AromaticContact CZ-CD2 3.78Å; F12-Y78 HydrophobicContact CZ-CD2 3.78Å; F12-Y78 HydrophobicContact CZ-CG 4.24Å; T16-Y78 HydrophobicContact CG2-CD1 3.39Å; T16-Y78 HydrophobicContact CG2-CD2 4.19Å; T16-Y78 HydrophobicContact CG2-CE1 3.66Å; T16-Y78 HydrophobicContact CG2-CE2 4.38Å; T16-Y78 HydrophobicContact CG2-CG 3.69Å; C74-Y78 WeakPolarHBondContact O-CB 3.28Å; C74-Y78 PolarHBondContact O-N 3Å; R75-Y78 WeakPolarHBondContact O-CB 3.33Å; R75-Y78 PolarHBondContact O-N 2.85Å; H76-Y78 PolarHBondContact O-N 2.86Å; Y78-V80 PolarHBondContact O-N 2.72Å; Y78-V81 PolarHBondContact O-N 2.78Å; Y78-E82 HydrophobicContact CD1-CB 4.36Å; Y78-E82 HydrophobicContact CD1-CG 4.41Å; Y78-E82 HydrophobicContact CE1-CB 4.22Å; Y78-E82 HydrophobicContact CE1-CG 3.79Å; Y78-E82 WeakPolarHBondContact O-CA 3.33Å; Y78-E82 VanDerWaalsContact O-CB 3.25Å; Y78-E82 WeakPolarHBondContact O-CB 3.36Å; Y78-E82 PolarHBondContact O-N 3.29Å; Y78-V86 HydrophobicContact CE2-CG2 3.8Å
79	W	96.4	Very high	97.3	Very high	145 Å²	145	69.9 Å²	69.9	55%	0.549	34%	0.34	S	S	.	.	H	α-helix	trans	-64.7	-37.5	-179	-68.3	120.5	0	0	0	113.3	T16 R75 H76 N77 V81 E82	T16-W79 HydrophobicContact CG2-CZ2 4.04Å; T16-W79 WeakPolarHBondContact OG1-CZ2 3.13Å; R75-W79 PolarHBondContact O-N 2.91Å; H76-W79 PolarHBondContact O-N 3.43Å; N77-W79 VanDerWaalsContact C-N 3.33Å; N77-W79 PolarHBondContact O-N 2.85Å; W79-V81 VanDerWaalsContact C-N 3.3Å; W79-V81 PolarHBondContact O-N 3.01Å; W79-E82 WeakPolarHBondContact CZ3-OE2 3.39Å
80	V	97.4	Very high	97.3	Very high	83 Å²	83	71.4 Å²	71.4	50%	0.503	35%	0.349	S	S	.	.	H	α-helix	trans	-63.5	-37.8	177.6	171.8	0	0	0	0	111.3	H76 N77 Y78	H76-V80 VanDerWaalsContact O-CG2 3.29Å; H76-V80 WeakPolarHBondContact O-CG2 3.33Å; H76-V80 PolarHBondContact O-N 2.77Å; H76-V80 VanDerWaalsContact O-N 3.08Å; N77-V80 PolarHBondContact O-N 2.7Å; Y78-V80 PolarHBondContact O-N 2.72Å
81	V	96.8	Very high	97.3	Very high	42 Å²	42	76.2 Å²	76.2	26%	0.255	37%	0.37	S	S	.	.	H	α-helix	trans	-108.1	-3.9	-171.3	-48.6	0	0	0	0	115.1	N77 Y78 W79 S83 F84 T85	N77-V81 VanDerWaalsContact O-CG2 3.24Å; N77-V81 WeakPolarHBondContact O-CG2 3.33Å; N77-V81 PolarHBondContact O-N 3.39Å; Y78-V81 PolarHBondContact O-N 2.78Å; W79-V81 VanDerWaalsContact C-N 3.3Å; W79-V81 PolarHBondContact O-N 3.01Å; V81-S83 VanDerWaalsContact C-N 3.29Å; V81-S83 PolarHBondContact O-N 2.71Å; V81-F84 HydrophobicContact CB-CD2 4.49Å; V81-F84 HydrophobicContact CB-CE1 3.94Å; V81-F84 HydrophobicContact CB-CE2 3.69Å; V81-F84 HydrophobicContact CB-CZ 3.38Å; V81-F84 HydrophobicContact CG1-CE1 4.21Å; V81-F84 HydrophobicContact CG1-CE2 4.05Å; V81-F84 HydrophobicContact CG1-CZ 3.46Å; V81-F84 VanDerWaalsContact CG1-CZ 3.46Å; V81-F84 PolarHBondContact O-N 3.09Å; V81-T85 HydrophobicContact CB-CG2 4.13Å; V81-T85 HydrophobicContact CG2-CG2 3.97Å; V81-T85 PolarHBondContact O-N 3.03Å; V81-T85 VanDerWaalsContact O-N 3.09Å; V81-T85 PolarHBondContact O-OG1 3.12Å
82	E	96.5	Very high	97.3	Very high	39 Å²	39	72.1 Å²	72.1	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-52.9	-46.2	-172.4	-172.5	-173.8	-159.7	0	0	112.3	Y78 W79 F84 T85 V86 Q87	Y78-E82 HydrophobicContact CD1-CB 4.36Å; Y78-E82 HydrophobicContact CD1-CG 4.41Å; Y78-E82 HydrophobicContact CE1-CB 4.22Å; Y78-E82 HydrophobicContact CE1-CG 3.79Å; Y78-E82 WeakPolarHBondContact O-CA 3.33Å; Y78-E82 VanDerWaalsContact O-CB 3.25Å; Y78-E82 WeakPolarHBondContact O-CB 3.36Å; Y78-E82 PolarHBondContact O-N 3.29Å; W79-E82 WeakPolarHBondContact CZ3-OE2 3.39Å; E82-F84 PolarHBondContact O-N 3.18Å; E82-T85 PolarHBondContact O-N 3.18Å; E82-V86 HydrophobicContact CG-CB 3.94Å; E82-V86 HydrophobicContact CG-CG2 4.29Å; E82-V86 PolarHBondContact O-N 3.09Å; E82-Q87 HydrophobicContact CG-CG 4.2Å; E82-Q87 PolarHBondContact O-N 3.38Å; E82-Q87 PolarHBondContact OE1-NE2 3.21Å; E82-Q87 PolarHBondContact OE2-NE2 3.4Å
83	S	95.6	Very high	97.3	Very high	77 Å²	77	74.5 Å²	74.5	54%	0.538	35%	0.351	S	S	.	.	H	α-helix	trans	-59.1	-31.8	-174.4	60.6	0	0	0	0	113.4	V81	V81-S83 VanDerWaalsContact C-N 3.29Å; V81-S83 PolarHBondContact O-N 2.71Å
84	F	94.7	Very high	97.3	Very high	110 Å²	110	70.4 Å²	70.4	48%	0.482	34%	0.337	S	S	.	.	H	α-helix	trans	-112.5	2.4	-177.6	61	-97.4	0	0	0	114.3	V81 E82 R88	V81-F84 HydrophobicContact CB-CD2 4.49Å; V81-F84 HydrophobicContact CB-CE1 3.94Å; V81-F84 HydrophobicContact CB-CE2 3.69Å; V81-F84 HydrophobicContact CB-CZ 3.38Å; V81-F84 HydrophobicContact CG1-CE1 4.21Å; V81-F84 HydrophobicContact CG1-CE2 4.05Å; V81-F84 HydrophobicContact CG1-CZ 3.46Å; V81-F84 VanDerWaalsContact CG1-CZ 3.46Å; V81-F84 PolarHBondContact O-N 3.09Å; E82-F84 PolarHBondContact O-N 3.18Å; F84-R88 WeakPolarHBondContact O-CB 3.42Å; F84-R88 WeakPolarHBondContact O-CD 3.35Å
85	T	96.3	Very high	97.3	Very high	26 Å²	26	72.9 Å²	72.9	16%	0.16	35%	0.352	C	S	.	.	H	α-helix	trans	-117.4	-64.3	176	55.3	0	0	0	0	111.9	V81 E82 Y118 W148	V81-T85 HydrophobicContact CB-CG2 4.13Å; V81-T85 HydrophobicContact CG2-CG2 3.97Å; V81-T85 PolarHBondContact O-N 3.03Å; V81-T85 VanDerWaalsContact O-N 3.09Å; V81-T85 PolarHBondContact O-OG1 3.12Å; E82-T85 PolarHBondContact O-N 3.18Å; T85-Y118 WeakPolarHBondContact O-CE1 3.46Å; T85-Y118 PolarHBondContact O-OH 3.45Å; T85-W148 HydrophobicContact CG2-CH2 4.08Å; T85-W148 HydrophobicContact CG2-CZ3 4.06Å
86	V	95.9	Very high	97.2	Very high	61 Å²	61	71.7 Å²	71.7	37%	0.37	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-45.7	-175.7	179.2	0	0	0	0	111.2	Y78 E82 R88 R89	Y78-V86 HydrophobicContact CE2-CG2 3.8Å; E82-V86 HydrophobicContact CG-CB 3.94Å; E82-V86 HydrophobicContact CG-CG2 4.29Å; E82-V86 PolarHBondContact O-N 3.09Å; V86-R88 VanDerWaalsContact C-N 3.31Å; V86-R89 PolarHBondContact O-NH1 2.81Å
87	Q	96	Very high	97	Very high	107 Å²	107	71 Å²	71	50%	0.5	34%	0.344	S	S	.	.	S	Bend	trans	-84.5	-8.6	-178.4	-64.9	176.9	5.6	0	0	112.6	E82 R89	E82-Q87 HydrophobicContact CG-CG 4.2Å; E82-Q87 PolarHBondContact O-N 3.38Å; E82-Q87 PolarHBondContact OE1-NE2 3.21Å; E82-Q87 PolarHBondContact OE2-NE2 3.4Å; Q87-R89 PolarHBondContact O-N 3.2Å
88	R	97.6	Very high	96.7	Very high	88 Å²	88	69.9 Å²	69.9	33%	0.332	34%	0.339	S	S	.	.			trans	-58.1	129.7	179	-180	-177.2	178.3	89	-1.5	110.6	F84 V86 V90 Y118	F84-R88 WeakPolarHBondContact O-CB 3.42Å; F84-R88 WeakPolarHBondContact O-CD 3.35Å; V86-R88 VanDerWaalsContact C-N 3.31Å; R88-V90 HydrophobicContact CG-CG2 4.38Å; R88-Y118 HydrophobicContact CB-CD1 3.91Å; R88-Y118 HydrophobicContact CB-CE1 3.75Å; R88-Y118 HydrophobicContact CG-CD1 3.69Å; R88-Y118 HydrophobicContact CG-CE1 3.97Å; R88-Y118 HydrophobicContact CG-CG 4.43Å; R88-Y118 WeakPolarHBondContact O-CD1 3.14Å
89	R	98.1	Very high	96	Very high	112 Å²	112	71.8 Å²	71.8	42%	0.423	36%	0.357	S	S	.	.			trans	-133.2	127	175.4	-64.8	-61.1	177	-91.4	-2.3	109.3	V86 Q87 Y118	V86-R89 PolarHBondContact O-NH1 2.81Å; Q87-R89 PolarHBondContact O-N 3.2Å; R89-Y118 CarbonylContact C-O 3.52Å; R89-Y118 WeakPolarHBondContact CA-O 3.24Å
90	V	98.3	Very high	94.9	Very high	42 Å²	42	71.1 Å²	71.1	26%	0.255	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-127.1	130.2	175	-171.7	0	0	0	0	108.5	R88 G116 F117 Y118 H172 S174	R88-V90 HydrophobicContact CG-CG2 4.38Å; V90-G116 WeakPolarHBondContact CG1-O 3.32Å; V90-F117 WeakPolarHBondContact O-CA 3.43Å; V90-Y118 PolarHBondContact N-O 2.94Å; V90-Y118 PolarHBondContact O-N 2.04Å; V90-H172 PolarHBondContact O-CE1 3.25Å; V90-H172 VanDerWaalsContact O-CE1 3.25Å; V90-S174 PolarHBondContact O-OG 3.1Å
91	H	98.2	Very high	93.1	Very high	119 Å²	119	73.9 Å²	73.9	55%	0.551	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-71.3	136.5	-174.3	-73.8	62.4	0	0	0	112	S174 V175	H91-S174 WeakPolarHBondContact CA-OG 3.21Å; H91-S174 PolarHBondContact CE1-O 3.28Å; H91-S174 PolarHBondContact NE2-O 3.13Å; H91-V175 WeakPolarHBondContact CD2-CG1 3.4Å
92	P	98.5	Very high	91.2	Very high	10 Å²	10	78.5 Å²	78.5	7%	0.065	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-68.8	139.1	171.5	21.7	-25.6	0	0	0	111.6	V94 V114 F117 V170 H172 L179	P92-V94 HydrophobicContact CB-CG2 4.46Å; P92-V114 HydrophobicContact CB-CG1 3.53Å; P92-F117 HydrophobicContact CB-CB 3.77Å; P92-F117 HydrophobicContact CB-CD1 4.15Å; P92-F117 HydrophobicContact CB-CG 4.24Å; P92-F117 HydrophobicContact CG-CB 4.34Å; P92-V170 HydrophobicContact CG-CG1 4.13Å; P92-H172 HydrophobicContact CG-CB 4.08Å; P92-L179 HydrophobicContact CG-CD1 3.81Å
93	K	98.4	Very high	89.2	Confident	144 Å²	144	82.4 Å²	82.4	63%	0.626	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	121.4	161	-176.7	179.9	179.7	-178.8	0	108.7	V114 S115	K93-V114 WeakPolarHBondContact O-CA 3.07Å; K93-S115 PolarHBondContact N-O 2.97Å; K93-S115 PolarHBondContact O-N 3.43Å; K93-S115 PolarHBondContact O-OG 2.92Å
94	V	98.6	Very high	87.1	Confident	22 Å²	22	83.9 Å²	83.9	13%	0.133	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.7	-177.7	-171.7	0	0	0	0	109.6	P92 S113 V114 V170 L179 V181	P92-V94 HydrophobicContact CB-CG2 4.46Å; V94-S113 WeakPolarHBondContact CA-O 3.34Å; V94-V114 HydrophobicContact CG1-CG2 4.48Å; V94-V114 HydrophobicContact CG2-CG1 4.36Å; V94-V170 HydrophobicContact CG1-CG2 4.06Å; V94-V170 HydrophobicContact CG2-CB 4.17Å; V94-V170 HydrophobicContact CG2-CG2 3.72Å; V94-L179 HydrophobicContact CG2-CB 4.33Å; V94-L179 HydrophobicContact CG2-CD1 3.95Å; V94-V181 HydrophobicContact CB-CG2 3.84Å; V94-V181 HydrophobicContact CG1-CB 4.19Å; V94-V181 HydrophobicContact CG1-CG2 3.63Å
95	T	97.9	Very high	85.1	Confident	53 Å²	53	87.7 Å²	87.7	33%	0.325	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.6	172.2	52.8	0	0	0	0	110.2	S113	T95-S113 PolarHBondContact N-O 2.86Å; T95-S113 PolarHBondContact O-N 2.92Å; T95-S113 WeakPolarHBondContact OG1-CB 3.23Å
96	V	96.8	Very high	83.2	Confident	24 Å²	24	93.5 Å²	93.5	15%	0.145	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.5	175.8	178.6	0	0	0	0	109.7	V111 C112 W126 C168 V181 W183	V96-V111 VanDerWaalsContact CA-O 3.3Å; V96-V111 WeakPolarHBondContact CA-O 3.47Å; V96-C112 HydrophobicContact CG2-CB 4.35Å; V96-W126 HydrophobicContact CG1-CH2 3.65Å; V96-W126 HydrophobicContact CG1-CZ3 4.33Å; V96-W126 HydrophobicContact CG2-CH2 4.23Å; V96-C168 HydrophobicContact CG2-CB 3.64Å; V96-V181 HydrophobicContact CB-CG1 4.01Å; V96-V181 HydrophobicContact CG2-CB 3.88Å; V96-V181 HydrophobicContact CG2-CG1 3.71Å; V96-W183 HydrophobicContact CB-CB 4.4Å; V96-W183 HydrophobicContact CG1-CB 3.56Å; V96-W183 HydrophobicContact CG1-CG 4.12Å
97	Y	92.9	Very high	81.6	Confident	97 Å²	97	96.5 Å²	96.5	38%	0.38	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	152.2	178	58.1	-86.3	0	0	0	111.5	V111	Y97-V111 HydrophobicContact CD2-CB 4.25Å; Y97-V111 HydrophobicContact CE1-CB 4.28Å; Y97-V111 HydrophobicContact CE1-CG1 4.17Å; Y97-V111 HydrophobicContact CE2-CB 3.9Å; Y97-V111 HydrophobicContact CE2-CG1 4.19Å; Y97-V111 HydrophobicContact CE2-CG2 4.13Å; Y97-V111 PolarHBondContact N-O 3.04Å; Y97-V111 WeakPolarHBondContact O-CB 3.43Å; Y97-V111 PolarHBondContact O-N 2.77Å
98	P	91.1	Very high	80.6	Confident	37 Å²	37	92.6 Å²	92.6	24%	0.24	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	141.3	171.5	32.1	-33.7	0	0	0	110.2	K100 L109 L110	P98-K100 PolarHBondContact O-N 2.89Å; P98-L109 CarbonylContact C-O 3.52Å; P98-L109 WeakPolarHBondContact CA-O 3.36Å; P98-L110 HydrophobicContact CB-CD2 4.18Å
99	S	84.2	Confident	80.1	Confident	69 Å²	69	90.8 Å²	90.8	48%	0.483	46%	0.458	S	S	.	.	S	Bend	trans	-62.4	-30	177.1	176	0	0	0	0	112.6	L109	S99-L109 WeakPolarHBondContact CB-O 3.49Å; S99-L109 PolarHBondContact N-O 3.39Å
100	K	73.4	Confident	79.9	Confident	131 Å²	131	85.5 Å²	85.5	57%	0.57	44%	0.437	S	S	*	.			trans	-125	140.8	176.5	-65.1	-179.6	-176.9	172.8	0	110.3	P98	P98-K100 PolarHBondContact O-N 2.89Å
101	T	59.2	Low	79.8	Confident	142 Å²	142	83.8 Å²	83.8	87%	0.871	43%	0.427	S	S	*	.	S	Bend	trans	-81.8	-15.5	-179.4	45.6	0	0	0	0	113.9
102	Q	56.5	Low	79.8	Confident	139 Å²	139	78.1 Å²	78.1	65%	0.65	40%	0.401	S	S	*	.	S	Bend	trans	-106.4	128.3	176.6	-76	177.5	1.5	0	0	110.7	L104	Q102-L104 PolarHBondContact O-N 2.99Å
103	P	54.2	Low	79.8	Confident	120 Å²	120	78.5 Å²	78.5	78%	0.779	40%	0.404	S	S	*	.			trans	-71.4	83	171.4	29	-31.7	0	0	0	109.2
104	L	53.2	Low	79.8	Confident	109 Å²	109	71.7 Å²	71.7	57%	0.571	37%	0.374	S	S	*	.			trans	-69.8	140.7	162	-73.8	156.8	0	0	0	107.2	Q102 H106	Q102-L104 PolarHBondContact O-N 2.99Å; L104-H106 PolarHBondContact O-N 2.79Å
105	Q	52.8	Low	79.8	Confident	190 Å²	190	72.1 Å²	72.1	89%	0.888	38%	0.378	S	S	*	.	S	Bend	trans	-64.6	18.1	-179	-76.1	175.9	-27.3	0	0	114.3
106	H	55.7	Low	79.8	Confident	148 Å²	148	70.9 Å²	70.9	69%	0.685	38%	0.376	S	S	*	.	S	Bend	trans	-129.2	118.7	-177.5	-64.3	47.5	0	0	0	106.3	L104	L104-H106 PolarHBondContact O-N 2.79Å
107	H	61.7	Low	79.9	Confident	124 Å²	124	69.8 Å²	69.8	57%	0.574	37%	0.369	S	S	*	.			trans	24.9	104.4	166.7	-58.4	-90.2	0	0	0	116	E157	H107-E157 HydrophobicContact CB-CG 4.13Å; H107-E157 WeakPolarHBondContact CB-OE1 3.33Å; H107-E157 IonicContact CE1-OE1 3.87Å; H107-E157 IonicContact CG-OE1 2.83Å; H107-E157 IonicContact ND1-OE1 3.78Å; H107-E157 PolarHBondContact ND1-OE1 3.19Å
108	N	75.6	Confident	80.1	Confident	24 Å²	24	66.9 Å²	66.9	13%	0.128	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	142	171.9	-155.8	3.9	0	0	0	109.8	T158 P160	N108-T158 CarbonylContact C-O 3.5Å; N108-T158 WeakPolarHBondContact CA-O 3.41Å; N108-T158 PolarHBondContact N-O 2.6Å; N108-T158 PolarHBondContact O-N 2.85Å; N108-P160 HydrophobicContact CB-CG 4.42Å
109	L	87.4	Confident	80.5	Confident	51 Å²	51	66.5 Å²	66.5	27%	0.267	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	111.4	-180	-164.8	76.7	0	0	0	108.3	P98 S99 V111 M155 L156 E157	P98-L109 CarbonylContact C-O 3.52Å; P98-L109 WeakPolarHBondContact CA-O 3.36Å; S99-L109 WeakPolarHBondContact CB-O 3.49Å; S99-L109 PolarHBondContact N-O 3.39Å; L109-V111 HydrophobicContact CD2-CG2 4.44Å; L109-M155 HydrophobicContact CD1-CB 3.86Å; L109-M155 HydrophobicContact CD2-CB 3.98Å; L109-M155 HydrophobicContact CD2-CG 4.02Å; L109-M155 HydrophobicContact CD2-SD 3.82Å; L109-M155 HydrophobicContact CG-CB 3.88Å; L109-M155 HydrophobicContact CG-CG 4.37Å; L109-L156 WeakPolarHBondContact CA-O 3.34Å; L109-E157 HydrophobicContact CD1-CB 4.2Å
110	L	93.1	Very high	81.1	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.5	169.6	-69.1	177.1	0	0	0	108.6	P98 W126 M155 L156 T158 Y166 W183	P98-L110 HydrophobicContact CB-CD2 4.18Å; L110-W126 HydrophobicContact CB-CH2 3.88Å; L110-W126 HydrophobicContact CB-CZ2 4.11Å; L110-M155 CarbonylContact O-C 3.56Å; L110-M155 VanDerWaalsContact O-CA 3.24Å; L110-M155 WeakPolarHBondContact O-CA 3.43Å; L110-L156 HydrophobicContact CB-CB 4.49Å; L110-L156 PolarHBondContact N-O 2.87Å; L110-L156 PolarHBondContact O-N 3.46Å; L110-T158 HydrophobicContact CD1-CG2 3.98Å; L110-T158 HydrophobicContact CG-CG2 4.23Å; L110-Y166 HydrophobicContact CD1-CD1 3.81Å; L110-Y166 HydrophobicContact CD1-CD2 3.87Å; L110-Y166 HydrophobicContact CD1-CE1 4.35Å; L110-Y166 HydrophobicContact CD1-CE2 4.43Å; L110-Y166 HydrophobicContact CD1-CG 3.53Å; L110-W183 HydrophobicContact CD1-CD2 4.27Å; L110-W183 HydrophobicContact CD1-CE3 3.66Å; L110-W183 HydrophobicContact CD1-CZ3 3.97Å; L110-W183 HydrophobicContact CD2-CD2 3.53Å; L110-W183 HydrophobicContact CD2-CE3 3.66Å; L110-W183 HydrophobicContact CD2-CG 4.12Å; L110-W183 HydrophobicContact CD2-CH2 4.04Å; L110-W183 HydrophobicContact CD2-CZ2 3.92Å; L110-W183 HydrophobicContact CD2-CZ3 3.91Å; L110-W183 HydrophobicContact CG-CE3 4.32Å
111	V	95.9	Very high	82.2	Confident	7 Å²	7	61.9 Å²	61.9	4%	0.042	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.1	-176.1	-173.7	0	0	0	0	108.6	V96 Y97 L109 L153 M155	V96-V111 VanDerWaalsContact CA-O 3.3Å; V96-V111 WeakPolarHBondContact CA-O 3.47Å; Y97-V111 HydrophobicContact CD2-CB 4.25Å; Y97-V111 HydrophobicContact CE1-CB 4.28Å; Y97-V111 HydrophobicContact CE1-CG1 4.17Å; Y97-V111 HydrophobicContact CE2-CB 3.9Å; Y97-V111 HydrophobicContact CE2-CG1 4.19Å; Y97-V111 HydrophobicContact CE2-CG2 4.13Å; Y97-V111 PolarHBondContact N-O 3.04Å; Y97-V111 WeakPolarHBondContact O-CB 3.43Å; Y97-V111 PolarHBondContact O-N 2.77Å; L109-V111 HydrophobicContact CD2-CG2 4.44Å; V111-L153 HydrophobicContact CG1-CB 4.44Å; V111-L153 HydrophobicContact CG1-CD2 4.25Å; V111-M155 HydrophobicContact CG1-CG 4.19Å; V111-M155 HydrophobicContact CG2-CG 4.21Å
112	C	98.1	Very high	84.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	106	163.8	-174.4	0	0	0	0	108.6	V96 W126 L153 V154 C168	V96-C112 HydrophobicContact CG2-CB 4.35Å; C112-W126 HydrophobicContact CB-CH2 4.23Å; C112-W126 HydrophobicContact CB-CZ2 3.56Å; C112-L153 WeakPolarHBondContact O-CA 3.21Å; C112-V154 WeakPolarHBondContact CB-O 3.47Å; C112-V154 PolarHBondContact N-O 3.48Å; C112-V154 PolarHBondContact O-N 3.29Å; C112-C168 HydrophobicContact CB-CB 3.6Å; C112-C168 WeakPolarHBondContact CB-SG 3.28Å; C112-C168 WeakPolarHBondContact SG-CB 3.43Å; C112-C168 CovalentContact SG-SG 2.02Å; C112-C168 PolarHBondContact SG-SG 3.15Å
113	S	98.2	Very high	86.1	Confident	18 Å²	18	54.7 Å²	54.7	13%	0.126	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116.8	177	173.6	0	0	0	0	109.6	V94 T95	V94-S113 WeakPolarHBondContact CA-O 3.34Å; T95-S113 PolarHBondContact N-O 2.86Å; T95-S113 PolarHBondContact O-N 2.92Å; T95-S113 WeakPolarHBondContact OG1-CB 3.23Å
114	V	98.6	Very high	88.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117.6	179.1	-169.2	0	0	0	0	108.2	P92 K93 V94 F117 I122 V124 Q151 T152 V170	P92-V114 HydrophobicContact CB-CG1 3.53Å; K93-V114 WeakPolarHBondContact O-CA 3.07Å; V94-V114 HydrophobicContact CG1-CG2 4.48Å; V94-V114 HydrophobicContact CG2-CG1 4.36Å; V114-F117 HydrophobicContact CB-CE1 4.33Å; V114-F117 HydrophobicContact CG1-CD1 3.89Å; V114-F117 HydrophobicContact CG1-CE1 3.89Å; V114-I122 HydrophobicContact CG1-CD1 3.57Å; V114-V124 HydrophobicContact CG2-CG1 4.31Å; V114-V124 HydrophobicContact CG2-CG2 4.03Å; V114-Q151 CarbonylContact O-C 3.44Å; V114-Q151 VanDerWaalsContact O-CA 3.24Å; V114-Q151 WeakPolarHBondContact O-CA 3.46Å; V114-T152 HydrophobicContact CB-CG2 4.04Å; V114-T152 PolarHBondContact N-O 3.48Å; V114-T152 PolarHBondContact O-N 3.47Å; V114-V170 HydrophobicContact CG1-CG1 4.06Å; V114-V170 HydrophobicContact CG1-CG2 4.42Å; V114-V170 HydrophobicContact CG2-CG2 3.75Å
115	S	98.3	Very high	90.3	Very high	32 Å²	32	47.5 Å²	47.5	22%	0.224	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.7	-167.3	63.5	0	0	0	0	113.2	K93 F117	K93-S115 PolarHBondContact N-O 2.97Å; K93-S115 PolarHBondContact O-N 3.43Å; K93-S115 PolarHBondContact O-OG 2.92Å; S115-F117 VanDerWaalsContact C-N 3.34Å; S115-F117 PolarHBondContact O-N 2.63Å
116	G	98.1	Very high	92.5	Very high	27 Å²	27	38.5 Å²	38.5	28%	0.278	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	74.8	18.8	170.3	0	0	0	0	0	114.7	V90 F150	V90-G116 WeakPolarHBondContact CG1-O 3.32Å; G116-F150 PolarHBondContact N-O 2.84Å
117	F	98.6	Very high	94.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	160	-175.9	62.3	-88.4	0	0	0	113.1	V90 P92 V114 S115 P119 I122 L142 T149 F150 T152 H172	V90-F117 WeakPolarHBondContact O-CA 3.43Å; P92-F117 HydrophobicContact CB-CB 3.77Å; P92-F117 HydrophobicContact CB-CD1 4.15Å; P92-F117 HydrophobicContact CB-CG 4.24Å; P92-F117 HydrophobicContact CG-CB 4.34Å; V114-F117 HydrophobicContact CB-CE1 4.33Å; V114-F117 HydrophobicContact CG1-CD1 3.89Å; V114-F117 HydrophobicContact CG1-CE1 3.89Å; S115-F117 VanDerWaalsContact C-N 3.34Å; S115-F117 PolarHBondContact O-N 2.63Å; F117-P119 WeakPolarHBondContact CD2-O 3.5Å; F117-I122 HydrophobicContact CD1-CD1 3.96Å; F117-I122 HydrophobicContact CD2-CB 4.46Å; F117-I122 HydrophobicContact CD2-CD1 3.85Å; F117-I122 HydrophobicContact CE1-CD1 3.76Å; F117-I122 HydrophobicContact CE2-CB 3.85Å; F117-I122 HydrophobicContact CE2-CD1 3.67Å; F117-I122 HydrophobicContact CE2-CG1 4.37Å; F117-I122 HydrophobicContact CE2-CG2 3.8Å; F117-I122 HydrophobicContact CG-CD1 4Å; F117-I122 HydrophobicContact CZ-CB 4.25Å; F117-I122 HydrophobicContact CZ-CD1 3.63Å; F117-I122 HydrophobicContact CZ-CG2 3.8Å; F117-L142 HydrophobicContact CE2-CD1 3.86Å; F117-L142 HydrophobicContact CZ-CD1 3.7Å; F117-T149 CarbonylContact O-C 3.58Å; F117-T149 WeakPolarHBondContact O-CA 3.49Å; F117-F150 WeakPolarHBondContact CD1-O 3.3Å; F117-F150 HydrophobicContact CD2-CB 4.01Å; F117-F150 HydrophobicContact CE1-CB 4.21Å; F117-F150 HydrophobicContact CE2-CB 3.61Å; F117-F150 HydrophobicContact CE2-CG 4.44Å; F117-F150 HydrophobicContact CG-CB 4.46Å; F117-F150 HydrophobicContact CZ-CB 3.72Å; F117-F150 PolarHBondContact N-O 3.42Å; F117-F150 WeakPolarHBondContact O-CD2 3.25Å; F117-F150 PolarHBondContact O-N 3.39Å; F117-T152 HydrophobicContact CE1-CG2 4.28Å; F117-T152 HydrophobicContact CZ-CG2 4.2Å; F117-H172 AromaticContact CD2-CD2 3.85Å; F117-H172 AromaticContact CD2-NE2 3.67Å
118	Y	98.4	Very high	96.2	Very high	37 Å²	37	30.6 Å²	30.6	15%	0.145	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-156.6	138.1	172.1	-176.6	-79.4	0	0	0	109.4	T85 R88 R89 V90 W148 F150 H172	T85-Y118 WeakPolarHBondContact O-CE1 3.46Å; T85-Y118 PolarHBondContact O-OH 3.45Å; R88-Y118 HydrophobicContact CB-CD1 3.91Å; R88-Y118 HydrophobicContact CB-CE1 3.75Å; R88-Y118 HydrophobicContact CG-CD1 3.69Å; R88-Y118 HydrophobicContact CG-CE1 3.97Å; R88-Y118 HydrophobicContact CG-CG 4.43Å; R88-Y118 WeakPolarHBondContact O-CD1 3.14Å; R89-Y118 CarbonylContact C-O 3.52Å; R89-Y118 WeakPolarHBondContact CA-O 3.24Å; V90-Y118 PolarHBondContact N-O 2.94Å; V90-Y118 PolarHBondContact O-N 2.04Å; Y118-W148 WeakPolarHBondContact CD2-O 3.39Å; Y118-W148 HydrophobicContact CE2-CE3 4.14Å; Y118-F150 HydrophobicContact CD2-CD2 4.07Å; Y118-F150 AromaticContact CD2-CE2 3.57Å; Y118-F150 HydrophobicContact CD2-CE2 3.57Å; Y118-F150 AromaticContact CE2-CE2 3.95Å; Y118-F150 HydrophobicContact CE2-CE2 3.95Å; Y118-F150 HydrophobicContact CG-CE2 4.46Å; Y118-H172 PolarHBondContact O-CE1 2.95Å
119	P	98.1	Very high	97.1	Very high	28 Å²	28	34 Å²	34	18%	0.182	19%	0.188	C	C	.	.	S	Bend	cis	-74.6	180	4.3	33.3	-38.8	0	0	0	113.2	F117 S121 H172 P173	F117-P119 WeakPolarHBondContact CD2-O 3.5Å; P119-S121 VanDerWaalsContact C-N 3.25Å; P119-S121 PolarHBondContact O-N 3.47Å; P119-H172 PolarHBondContact O-NE2 2.8Å; P119-P173 HydrophobicContact CG-CG 4.49Å
120	G	97.6	Very high	97.4	Very high	16 Å²	16	34.4 Å²	34.4	17%	0.165	21%	0.205	C	C	.	.	S	Bend	trans	-70.8	-16	-178.8	0	0	0	0	0	115.3	I122 L142 F150	G120-I122 PolarHBondContact O-N 2.93Å; G120-L142 WeakPolarHBondContact O-CD1 3.46Å; G120-F150 VanDerWaalsContact N-CE2 3.26Å
121	S	97.1	Very high	97.6	Very high	87 Å²	87	41.8 Å²	41.8	61%	0.608	24%	0.24	S	C	*	.			trans	-69.7	113.5	178.3	-175.2	0	0	0	0	110.4	P119 H172 P173	P119-S121 VanDerWaalsContact C-N 3.25Å; P119-S121 PolarHBondContact O-N 3.47Å; S121-H172 PolarHBondContact O-CD2 3.27Å; S121-H172 VanDerWaalsContact O-CD2 3.28Å; S121-P173 WeakPolarHBondContact O-CD 3.37Å
122	I	98.3	Very high	97.7	Very high	42 Å²	42	45.6 Å²	45.6	22%	0.215	26%	0.257	C	S	.	.			trans	-148.3	148.4	-176	-164.4	165	0	0	0	110.3	V114 F117 G120 V124 T152 V170 E171 H172	V114-I122 HydrophobicContact CG1-CD1 3.57Å; F117-I122 HydrophobicContact CD1-CD1 3.96Å; F117-I122 HydrophobicContact CD2-CB 4.46Å; F117-I122 HydrophobicContact CD2-CD1 3.85Å; F117-I122 HydrophobicContact CE1-CD1 3.76Å; F117-I122 HydrophobicContact CE2-CB 3.85Å; F117-I122 HydrophobicContact CE2-CD1 3.67Å; F117-I122 HydrophobicContact CE2-CG1 4.37Å; F117-I122 HydrophobicContact CE2-CG2 3.8Å; F117-I122 HydrophobicContact CG-CD1 4Å; F117-I122 HydrophobicContact CZ-CB 4.25Å; F117-I122 HydrophobicContact CZ-CD1 3.63Å; F117-I122 HydrophobicContact CZ-CG2 3.8Å; G120-I122 PolarHBondContact O-N 2.93Å; I122-V124 HydrophobicContact CD1-CG2 4.31Å; I122-V124 HydrophobicContact CG1-CG2 4.15Å; I122-T152 HydrophobicContact CG2-CG2 4.41Å; I122-V170 HydrophobicContact CD1-CG1 3.7Å; I122-V170 HydrophobicContact CG1-CG1 3.96Å; I122-E171 WeakPolarHBondContact CG1-O 3.5Å; I122-H172 HydrophobicContact CD1-CB 4.45Å; I122-H172 HydrophobicContact CG1-CB 4.23Å
123	E	98.3	Very high	97.6	Very high	88 Å²	88	47.9 Å²	47.9	41%	0.411	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.4	170.1	-173.9	176.5	166.3	0	0	109.4	R125 V170 E171	E123-R125 HydrophobicContact CG-CG 4.28Å; E123-R125 WeakPolarHBondContact OE1-CD 3.23Å; E123-R125 IonicContact OE1-CZ 3.58Å; E123-R125 IonicContact OE1-NE 2.83Å; E123-R125 IonicContact OE1-NH1 4Å; E123-R125 PolarHBondContact OE1-NH1 3.01Å; E123-R125 IonicContact OE2-NH1 3.12Å; E123-V170 CarbonylContact O-C 3.48Å; E123-V170 WeakPolarHBondContact O-CA 3.43Å; E123-E171 HydrophobicContact CB-CB 4.27Å; E123-E171 PolarHBondContact N-O 3.45Å; E123-E171 PolarHBondContact O-N 3.28Å
124	V	98.5	Very high	97.5	Very high	26 Å²	26	53.8 Å²	53.8	16%	0.158	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	122.4	-178.2	-177.5	0	0	0	0	108.3	V114 I122 T152 V154 Q169 V170	V114-V124 HydrophobicContact CG2-CG1 4.31Å; V114-V124 HydrophobicContact CG2-CG2 4.03Å; I122-V124 HydrophobicContact CD1-CG2 4.31Å; I122-V124 HydrophobicContact CG1-CG2 4.15Å; V124-T152 HydrophobicContact CG2-CG2 4.32Å; V124-V154 HydrophobicContact CB-CB 4.38Å; V124-V154 HydrophobicContact CB-CG2 3.74Å; V124-V154 HydrophobicContact CG1-CB 3.76Å; V124-V154 HydrophobicContact CG1-CG1 4.24Å; V124-V154 HydrophobicContact CG1-CG2 3.63Å; V124-V154 HydrophobicContact CG2-CG2 4.32Å; V124-Q169 CarbonylContact C-O 3.52Å; V124-Q169 WeakPolarHBondContact CA-O 3.4Å; V124-V170 HydrophobicContact CG1-CG2 4.21Å; V124-V170 HydrophobicContact CG2-CG1 4.35Å; V124-V170 HydrophobicContact CG2-CG2 4.2Å
125	R	98.5	Very high	97.3	Very high	53 Å²	53	59.1 Å²	59.1	20%	0.2	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.3	-176	-65.7	-174.7	-64.4	-133.5	5.8	110.9	E123 F127 E132 Q169 E171	E123-R125 HydrophobicContact CG-CG 4.28Å; E123-R125 WeakPolarHBondContact OE1-CD 3.23Å; E123-R125 IonicContact OE1-CZ 3.58Å; E123-R125 IonicContact OE1-NE 2.83Å; E123-R125 IonicContact OE1-NH1 4Å; E123-R125 PolarHBondContact OE1-NH1 3.01Å; E123-R125 IonicContact OE2-NH1 3.12Å; R125-F127 HydrophobicContact CB-CD2 4.46Å; R125-F127 HydrophobicContact CB-CE2 3.75Å; R125-F127 HydrophobicContact CB-CZ 4.45Å; R125-E132 VanDerWaalsContact CD-OE1 3.27Å; R125-E132 WeakPolarHBondContact CD-OE1 3.4Å; R125-Q169 PolarHBondContact N-O 3.32Å; R125-Q169 PolarHBondContact O-N 3.45Å; R125-E171 IonicContact CZ-OE1 2.66Å; R125-E171 IonicContact NH1-OE1 3.46Å; R125-E171 IonicContact NH2-OE1 3.67Å; R125-E171 PolarHBondContact NH2-OE1 3.2Å
126	W	98.3	Very high	97	Very high	1 Å²	1	59 Å²	59	0%	0.004	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	142.1	171	-84.1	107.2	0	0	0	110.5	V96 L110 C112 E132 E133 V137 V154 L156 T167 C168	V96-W126 HydrophobicContact CG1-CH2 3.65Å; V96-W126 HydrophobicContact CG1-CZ3 4.33Å; V96-W126 HydrophobicContact CG2-CH2 4.23Å; L110-W126 HydrophobicContact CB-CH2 3.88Å; L110-W126 HydrophobicContact CB-CZ2 4.11Å; C112-W126 HydrophobicContact CB-CH2 4.23Å; C112-W126 HydrophobicContact CB-CZ2 3.56Å; W126-E132 CarbonylContact O-C 3.54Å; W126-E132 WeakPolarHBondContact O-CA 3.08Å; W126-E133 PolarHBondContact O-N 3.49Å; W126-V137 HydrophobicContact CB-CG2 4.26Å; W126-V137 HydrophobicContact CG-CG2 4.47Å; W126-V154 PolarHBondContact NE1-O 3.03Å; W126-L156 HydrophobicContact CB-CD2 4.37Å; W126-L156 HydrophobicContact CD2-CB 4Å; W126-L156 HydrophobicContact CD2-CD2 4.21Å; W126-L156 HydrophobicContact CE3-CD2 4.3Å; W126-L156 HydrophobicContact CG-CB 4Å; W126-L156 HydrophobicContact CG-CD2 4.27Å; W126-L156 HydrophobicContact CZ2-CB 4.4Å; W126-T167 CarbonylContact C-O 3.57Å; W126-C168 HydrophobicContact CE3-CB 4.31Å; W126-C168 HydrophobicContact CH2-CB 4.2Å; W126-C168 HydrophobicContact CZ2-CB 4.45Å; W126-C168 HydrophobicContact CZ3-CB 4.1Å
127	F	98.1	Very high	96.9	Very high	38 Å²	38	60.1 Å²	60.1	17%	0.167	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144	170.9	-64.8	-103.2	0	0	0	109.6	R125 Q131 E132 Y166 T167 Q169	R125-F127 HydrophobicContact CB-CD2 4.46Å; R125-F127 HydrophobicContact CB-CE2 3.75Å; R125-F127 HydrophobicContact CB-CZ 4.45Å; F127-Q131 CarbonylContact C-O 3.6Å; F127-Q131 WeakPolarHBondContact CA-O 3.16Å; F127-E132 HydrophobicContact CD1-CB 4.08Å; F127-E132 HydrophobicContact CE1-CB 3.81Å; F127-E132 HydrophobicContact CE1-CG 4.34Å; F127-E132 HydrophobicContact CZ-CB 4.3Å; F127-E132 HydrophobicContact CZ-CG 4.34Å; F127-Y166 CarbonylContact O-C 3.57Å; F127-Y166 WeakPolarHBondContact O-CA 3.28Å; F127-T167 PolarHBondContact N-O 3.37Å; F127-T167 PolarHBondContact O-N 3.27Å; F127-Q169 HydrophobicContact CD2-CB 4.08Å; F127-Q169 HydrophobicContact CE2-CB 3.73Å; F127-Q169 HydrophobicContact CE2-CG 4.41Å
128	R	96.1	Very high	96.8	Very high	67 Å²	67	63.9 Å²	63.9	25%	0.253	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.8	171.8	-178.1	-177.3	-177.6	172.9	5.2	108.2	G130 Q131 E164 Y166	R128-G130 PolarHBondContact O-N 2.8Å; R128-G130 VanDerWaalsContact O-N 3.16Å; R128-Q131 PolarHBondContact N-O 3.44Å; R128-Q131 PolarHBondContact O-N 3.44Å; R128-E164 IonicContact CZ-OE1 2.78Å; R128-E164 IonicContact CZ-OE2 3.57Å; R128-E164 IonicContact NE-OE1 2.85Å; R128-E164 PolarHBondContact NE-OE1 2.86Å; R128-E164 IonicContact NE-OE2 3.94Å; R128-E164 VanDerWaalsContact NH2-CD 3.27Å; R128-E164 IonicContact NH2-OE1 3.79Å; R128-E164 PolarHBondContact NH2-OE1 3.25Å; R128-E164 IonicContact NH2-OE2 3.19Å; R128-E164 PolarHBondContact NH2-OE2 3.43Å; R128-Y166 HydrophobicContact CB-CD1 4.31Å; R128-Y166 HydrophobicContact CB-CE1 4.22Å; R128-Y166 HydrophobicContact CG-CD1 4.29Å; R128-Y166 HydrophobicContact CG-CE1 3.85Å; R128-Y166 PolarHBondContact NE-OH 3.4Å
129	N	95.1	Very high	96.6	Very high	95 Å²	95	65.1 Å²	65.1	51%	0.508	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	38.8	-176.4	-57	-30.5	0	0	0	112.8	Q131 E164 V165	N129-Q131 VanDerWaalsContact C-N 3.33Å; N129-Q131 PolarHBondContact O-N 3.02Å; N129-E164 WeakPolarHBondContact OD1-CA 3.41Å; N129-V165 PolarHBondContact N-O 3.08Å; N129-V165 PolarHBondContact OD1-N 3.31Å
130	G	94.5	Very high	96.5	Very high	61 Å²	61	66.9 Å²	66.9	63%	0.629	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-2.6	-179.8	0	0	0	0	0	116.2	R128	R128-G130 PolarHBondContact O-N 2.8Å; R128-G130 VanDerWaalsContact O-N 3.16Å
131	Q	97.1	Very high	96.5	Very high	155 Å²	155	67.8 Å²	67.8	72%	0.724	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.8	173.2	-65.4	-171.6	-15.2	0	0	110.7	F127 R128 N129 E133	F127-Q131 CarbonylContact C-O 3.6Å; F127-Q131 WeakPolarHBondContact CA-O 3.16Å; R128-Q131 PolarHBondContact N-O 3.44Å; R128-Q131 PolarHBondContact O-N 3.44Å; N129-Q131 VanDerWaalsContact C-N 3.33Å; N129-Q131 PolarHBondContact O-N 3.02Å; Q131-E133 PolarHBondContact O-N 2.78Å
132	E	97.7	Very high	96.5	Very high	87 Å²	87	67.8 Å²	67.8	41%	0.407	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	125.8	178.8	-168.6	-171.9	-178.8	0	0	110.2	R125 W126 F127 K134	R125-E132 VanDerWaalsContact CD-OE1 3.27Å; R125-E132 WeakPolarHBondContact CD-OE1 3.4Å; W126-E132 CarbonylContact O-C 3.54Å; W126-E132 WeakPolarHBondContact O-CA 3.08Å; F127-E132 HydrophobicContact CD1-CB 4.08Å; F127-E132 HydrophobicContact CE1-CB 3.81Å; F127-E132 HydrophobicContact CE1-CG 4.34Å; F127-E132 HydrophobicContact CZ-CB 4.3Å; F127-E132 HydrophobicContact CZ-CG 4.34Å; E132-K134 HydrophobicContact CG-CG 4.47Å; E132-K134 WeakPolarHBondContact OE1-CE 3.43Å; E132-K134 IonicContact OE1-NZ 3.23Å; E132-K134 PolarHBondContact OE1-NZ 2.95Å; E132-K134 WeakPolarHBondContact OE2-CE 3.43Å; E132-K134 IonicContact OE2-NZ 3.45Å; E132-K134 PolarHBondContact OE2-NZ 3.15Å; E132-K134 VanDerWaalsContact OE2-NZ 3.12Å
133	E	96.2	Very high	96.5	Very high	47 Å²	47	68.9 Å²	68.9	22%	0.22	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.1	177.1	-176.3	60.2	-93.6	0	0	109.4	W126 Q131 T135 V137 L156	W126-E133 PolarHBondContact O-N 3.49Å; Q131-E133 PolarHBondContact O-N 2.78Å; E133-T135 VanDerWaalsContact OE1-CB 3.24Å; E133-T135 WeakPolarHBondContact OE1-CB 3.43Å; E133-T135 PolarHBondContact OE1-N 3.28Å; E133-T135 PolarHBondContact OE1-OG1 3.46Å; E133-V137 WeakPolarHBondContact O-CG2 3.47Å; E133-L156 HydrophobicContact CG-CD1 3.69Å; E133-L156 HydrophobicContact CG-CD2 4.46Å
134	K	96	Very high	96.5	Very high	143 Å²	143	71 Å²	71	62%	0.622	39%	0.393	S	S	*	.			trans	-113	-22.2	178.1	-63.1	-176.7	-178.3	177.8	0	111.6	E132 V137	E132-K134 HydrophobicContact CG-CG 4.47Å; E132-K134 WeakPolarHBondContact OE1-CE 3.43Å; E132-K134 IonicContact OE1-NZ 3.23Å; E132-K134 PolarHBondContact OE1-NZ 2.95Å; E132-K134 WeakPolarHBondContact OE2-CE 3.43Å; E132-K134 IonicContact OE2-NZ 3.45Å; E132-K134 PolarHBondContact OE2-NZ 3.15Å; E132-K134 VanDerWaalsContact OE2-NZ 3.12Å; K134-V137 PolarHBondContact O-N 2.97Å
135	T	94.6	Very high	96.4	Very high	112 Å²	112	72.5 Å²	72.5	69%	0.687	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	131.1	-177.2	-46	0	0	0	0	109.1	E133 V137 L156	E133-T135 VanDerWaalsContact OE1-CB 3.24Å; E133-T135 WeakPolarHBondContact OE1-CB 3.43Å; E133-T135 PolarHBondContact OE1-N 3.28Å; E133-T135 PolarHBondContact OE1-OG1 3.46Å; T135-V137 PolarHBondContact O-N 2.89Å; T135-L156 WeakPolarHBondContact O-CD1 3.37Å
136	G	91.6	Very high	96.3	Very high	28 Å²	28	73.5 Å²	73.5	29%	0.289	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	10.7	-179.2	0	0	0	0	0	114.2	E157	G136-E157 PolarHBondContact O-N 2.98Å
137	V	96.3	Very high	96.3	Very high	51 Å²	51	77.9 Å²	77.9	31%	0.309	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.1	173.4	179.6	0	0	0	0	110.2	W126 E133 K134 T135 V154 M155 L156	W126-V137 HydrophobicContact CB-CG2 4.26Å; W126-V137 HydrophobicContact CG-CG2 4.47Å; E133-V137 WeakPolarHBondContact O-CG2 3.47Å; K134-V137 PolarHBondContact O-N 2.97Å; T135-V137 PolarHBondContact O-N 2.89Å; V137-V154 HydrophobicContact CG1-CG1 3.57Å; V137-M155 CarbonylContact C-O 3.54Å; V137-M155 VanDerWaalsContact CA-O 3.27Å; V137-M155 WeakPolarHBondContact CA-O 3.26Å; V137-L156 HydrophobicContact CG2-CD1 3.78Å
138	V	95.4	Very high	96.2	Very high	80 Å²	80	82.9 Å²	82.9	49%	0.485	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.6	178.4	-176.5	0	0	0	0	109.3	M155	V138-M155 HydrophobicContact CB-CE 4.35Å; V138-M155 HydrophobicContact CG1-CE 4.14Å; V138-M155 PolarHBondContact N-O 3.07Å; V138-M155 PolarHBondContact O-N 2.86Å
139	S	96.2	Very high	96.3	Very high	63 Å²	63	80.5 Å²	80.5	44%	0.441	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.9	175.4	-179.5	0	0	0	0	111.3	G141 T152 L153	S139-G141 PolarHBondContact O-N 3.15Å; S139-G141 PolarHBondContact OG-N 2.92Å; S139-T152 PolarHBondContact OG-OG1 2.99Å; S139-L153 VanDerWaalsContact CA-O 3.3Å; S139-L153 WeakPolarHBondContact CA-O 3.42Å; S139-L153 PolarHBondContact OG-O 3.04Å
140	T	95.9	Very high	96.5	Very high	65 Å²	65	76.6 Å²	76.6	40%	0.399	44%	0.44	S	S	.	.			trans	-69.9	-10.9	167.5	54.3	0	0	0	0	113.3	L153 M155	T140-L153 HydrophobicContact CG2-CB 3.79Å; T140-L153 HydrophobicContact CG2-CD1 4.15Å; T140-L153 HydrophobicContact CG2-CG 4.2Å; T140-L153 PolarHBondContact N-O 2.91Å; T140-L153 PolarHBondContact OG1-N 3.43Å; T140-M155 HydrophobicContact CG2-CE 4.08Å
141	G	96.5	Very high	96.7	Very high	35 Å²	35	77 Å²	77	36%	0.361	43%	0.426	S	S	.	.			trans	71.8	-177.5	-160.8	0	0	0	0	0	111.7	S139 T152	S139-G141 PolarHBondContact O-N 3.15Å; S139-G141 PolarHBondContact OG-N 2.92Å; G141-T152 PolarHBondContact O-OG1 2.76Å; G141-T152 VanDerWaalsContact O-OG1 3.14Å
142	L	97.6	Very high	96.7	Very high	86 Å²	86	69.9 Å²	69.9	45%	0.45	39%	0.393	S	S	.	.			trans	-79.8	127.6	-177.8	-171.5	70	0	0	0	110.8	F117 G120 F150	F117-L142 HydrophobicContact CE2-CD1 3.86Å; F117-L142 HydrophobicContact CZ-CD1 3.7Å; G120-L142 WeakPolarHBondContact O-CD1 3.46Å; L142-F150 HydrophobicContact CD1-CB 3.74Å; L142-F150 HydrophobicContact CD1-CD1 3.73Å; L142-F150 HydrophobicContact CD1-CG 3.99Å; L142-F150 HydrophobicContact CD2-CD1 3.59Å; L142-F150 HydrophobicContact CD2-CE1 3.59Å; L142-F150 HydrophobicContact CD2-CG 4.43Å; L142-F150 HydrophobicContact CG-CB 4.46Å; L142-F150 HydrophobicContact CG-CD1 3.54Å; L142-F150 HydrophobicContact CG-CE1 4.05Å; L142-F150 HydrophobicContact CG-CG 4.31Å
143	I	98.1	Very high	96.7	Very high	66 Å²	66	68 Å²	68	34%	0.338	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.1	179	-59.9	165.4	0	0	0	109.1	F150 Q151	I143-F150 VanDerWaalsContact O-CA 3.28Å; I143-F150 WeakPolarHBondContact O-CA 3.01Å; I143-Q151 HydrophobicContact CB-CG 3.69Å; I143-Q151 WeakPolarHBondContact CB-O 3.05Å; I143-Q151 HydrophobicContact CD1-CG 4.2Å; I143-Q151 HydrophobicContact CG2-CG 3.93Å; I143-Q151 PolarHBondContact N-O 3.36Å; I143-Q151 PolarHBondContact O-N 2.91Å
144	H	97.3	Very high	96.8	Very high	131 Å²	131	66.1 Å²	66.1	61%	0.606	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.6	174.8	-119.9	-71.7	0	0	0	110.4	F150	H144-F150 AromaticContact CD2-CD1 3.94Å; H144-F150 AromaticContact CD2-CE1 3.14Å; H144-F150 WeakPolarHBondContact CD2-CE1 3.35Å; H144-F150 AromaticContact CD2-CZ 3.78Å; H144-F150 AromaticContact CE1-CE1 3.5Å; H144-F150 VanDerWaalsContact CE1-CE1 3.5Å; H144-F150 WeakPolarHBondContact CE1-CE1 3.43Å; H144-F150 AromaticContact CE1-CZ 3.36Å; H144-F150 WeakPolarHBondContact CE1-CZ 3.47Å; H144-F150 AromaticContact CG-CE1 3.65Å; H144-F150 AromaticContact ND1-CE1 3.84Å; H144-F150 AromaticContact NE2-CE1 3.05Å; H144-F150 WeakPolarHBondContact NE2-CE1 3.24Å; H144-F150 AromaticContact NE2-CZ 3.13Å; H144-F150 WeakPolarHBondContact NE2-CZ 3.24Å
145	N	97.3	Very high	96.8	Very high	58 Å²	58	60.9 Å²	60.9	31%	0.31	36%	0.355	S	S	.	.			trans	-84.6	-14.1	-175.7	-65.4	-25.4	0	0	0	114.1	D147 T149 Q151	N145-D147 VanDerWaalsContact C-N 3.29Å; N145-D147 VanDerWaalsContact CB-OD1 3.24Å; N145-D147 WeakPolarHBondContact CB-OD1 3.38Å; N145-T149 WeakPolarHBondContact CB-O 3.44Å; N145-T149 PolarHBondContact N-O 3.19Å; N145-T149 VanDerWaalsContact N-O 3.13Å; N145-T149 PolarHBondContact ND2-OG1 2.63Å; N145-Q151 WeakPolarHBondContact OD1-CG 3.45Å; N145-Q151 PolarHBondContact OD1-NE2 3.16Å
146	G	96.8	Very high	96.9	Very high	74 Å²	74	55.7 Å²	55.7	76%	0.763	32%	0.323	S	S	*	.	S	Bend	trans	81.9	-0	-174.8	0	0	0	0	0	114.9
147	D	97.2	Very high	96.9	Very high	94 Å²	94	58.7 Å²	58.7	50%	0.503	33%	0.33	S	S	.	.	S	Bend	trans	-115.3	23.7	-179.2	70	-8.6	0	0	0	113.2	N145 T149	N145-D147 VanDerWaalsContact C-N 3.29Å; N145-D147 VanDerWaalsContact CB-OD1 3.24Å; N145-D147 WeakPolarHBondContact CB-OD1 3.38Å; D147-T149 PolarHBondContact O-N 3.08Å; D147-T149 WeakPolarHBondContact OD1-CB 3.37Å; D147-T149 PolarHBondContact OD1-N 3.07Å; D147-T149 PolarHBondContact OD1-OG1 3.47Å; D147-T149 PolarHBondContact OD2-OG1 3.2Å
148	W	96.7	Very high	96.5	Very high	143 Å²	143	57 Å²	57	54%	0.542	32%	0.32	S	S	.	.	S	Bend	trans	64.2	24	-172.6	-62	73.5	0	0	0	114.6	T85 Y118	T85-W148 HydrophobicContact CG2-CH2 4.08Å; T85-W148 HydrophobicContact CG2-CZ3 4.06Å; Y118-W148 WeakPolarHBondContact CD2-O 3.39Å; Y118-W148 HydrophobicContact CE2-CE3 4.14Å
149	T	98.3	Very high	96.1	Very high	17 Å²	17	57.3 Å²	57.3	10%	0.104	32%	0.321	C	S	.	.			trans	-126	164.9	167.7	73.9	0	0	0	0	112.1	F117 N145 D147	F117-T149 CarbonylContact O-C 3.58Å; F117-T149 WeakPolarHBondContact O-CA 3.49Å; N145-T149 WeakPolarHBondContact CB-O 3.44Å; N145-T149 PolarHBondContact N-O 3.19Å; N145-T149 VanDerWaalsContact N-O 3.13Å; N145-T149 PolarHBondContact ND2-OG1 2.63Å; D147-T149 PolarHBondContact O-N 3.08Å; D147-T149 WeakPolarHBondContact OD1-CB 3.37Å; D147-T149 PolarHBondContact OD1-N 3.07Å; D147-T149 PolarHBondContact OD1-OG1 3.47Å; D147-T149 PolarHBondContact OD2-OG1 3.2Å
150	F	98.6	Very high	95.5	Very high	13 Å²	13	56.3 Å²	56.3	6%	0.057	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	162.4	178.9	-63.9	-91	0	0	0	111.5	G116 F117 Y118 G120 L142 I143 H144	G116-F150 PolarHBondContact N-O 2.84Å; F117-F150 WeakPolarHBondContact CD1-O 3.3Å; F117-F150 HydrophobicContact CD2-CB 4.01Å; F117-F150 HydrophobicContact CE1-CB 4.21Å; F117-F150 HydrophobicContact CE2-CB 3.61Å; F117-F150 HydrophobicContact CE2-CG 4.44Å; F117-F150 HydrophobicContact CG-CB 4.46Å; F117-F150 HydrophobicContact CZ-CB 3.72Å; F117-F150 PolarHBondContact N-O 3.42Å; F117-F150 WeakPolarHBondContact O-CD2 3.25Å; F117-F150 PolarHBondContact O-N 3.39Å; Y118-F150 HydrophobicContact CD2-CD2 4.07Å; Y118-F150 AromaticContact CD2-CE2 3.57Å; Y118-F150 HydrophobicContact CD2-CE2 3.57Å; Y118-F150 AromaticContact CE2-CE2 3.95Å; Y118-F150 HydrophobicContact CE2-CE2 3.95Å; Y118-F150 HydrophobicContact CG-CE2 4.46Å; G120-F150 VanDerWaalsContact N-CE2 3.26Å; L142-F150 HydrophobicContact CD1-CB 3.74Å; L142-F150 HydrophobicContact CD1-CD1 3.73Å; L142-F150 HydrophobicContact CD1-CG 3.99Å; L142-F150 HydrophobicContact CD2-CD1 3.59Å; L142-F150 HydrophobicContact CD2-CE1 3.59Å; L142-F150 HydrophobicContact CD2-CG 4.43Å; L142-F150 HydrophobicContact CG-CB 4.46Å; L142-F150 HydrophobicContact CG-CD1 3.54Å; L142-F150 HydrophobicContact CG-CE1 4.05Å; L142-F150 HydrophobicContact CG-CG 4.31Å; I143-F150 VanDerWaalsContact O-CA 3.28Å; I143-F150 WeakPolarHBondContact O-CA 3.01Å; H144-F150 AromaticContact CD2-CD1 3.94Å; H144-F150 AromaticContact CD2-CE1 3.14Å; H144-F150 WeakPolarHBondContact CD2-CE1 3.35Å; H144-F150 AromaticContact CD2-CZ 3.78Å; H144-F150 AromaticContact CE1-CE1 3.5Å; H144-F150 VanDerWaalsContact CE1-CE1 3.5Å; H144-F150 WeakPolarHBondContact CE1-CE1 3.43Å; H144-F150 AromaticContact CE1-CZ 3.36Å; H144-F150 WeakPolarHBondContact CE1-CZ 3.47Å; H144-F150 AromaticContact CG-CE1 3.65Å; H144-F150 AromaticContact ND1-CE1 3.84Å; H144-F150 AromaticContact NE2-CE1 3.05Å; H144-F150 WeakPolarHBondContact NE2-CE1 3.24Å; H144-F150 AromaticContact NE2-CZ 3.13Å; H144-F150 WeakPolarHBondContact NE2-CZ 3.24Å
151	Q	98.5	Very high	94.9	Very high	69 Å²	69	61.8 Å²	61.8	32%	0.322	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158.4	167.4	64.9	-176.3	-40.6	0	0	111.4	V114 I143 N145	V114-Q151 CarbonylContact O-C 3.44Å; V114-Q151 VanDerWaalsContact O-CA 3.24Å; V114-Q151 WeakPolarHBondContact O-CA 3.46Å; I143-Q151 HydrophobicContact CB-CG 3.69Å; I143-Q151 WeakPolarHBondContact CB-O 3.05Å; I143-Q151 HydrophobicContact CD1-CG 4.2Å; I143-Q151 HydrophobicContact CG2-CG 3.93Å; I143-Q151 PolarHBondContact N-O 3.36Å; I143-Q151 PolarHBondContact O-N 2.91Å; N145-Q151 WeakPolarHBondContact OD1-CG 3.45Å; N145-Q151 PolarHBondContact OD1-NE2 3.16Å
152	T	98.5	Very high	94.3	Very high	6 Å²	6	66.5 Å²	66.5	4%	0.037	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	147	171.4	-176.5	0	0	0	0	109.6	V114 F117 I122 V124 S139 G141	V114-T152 HydrophobicContact CB-CG2 4.04Å; V114-T152 PolarHBondContact N-O 3.48Å; V114-T152 PolarHBondContact O-N 3.47Å; F117-T152 HydrophobicContact CE1-CG2 4.28Å; F117-T152 HydrophobicContact CZ-CG2 4.2Å; I122-T152 HydrophobicContact CG2-CG2 4.41Å; V124-T152 HydrophobicContact CG2-CG2 4.32Å; S139-T152 PolarHBondContact OG-OG1 2.99Å; G141-T152 PolarHBondContact O-OG1 2.76Å; G141-T152 VanDerWaalsContact O-OG1 3.14Å
153	L	97.8	Very high	93.9	Very high	46 Å²	46	65.9 Å²	65.9	24%	0.241	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.4	169.7	-54.3	177.7	0	0	0	108.2	V111 C112 S139 T140	V111-L153 HydrophobicContact CG1-CB 4.44Å; V111-L153 HydrophobicContact CG1-CD2 4.25Å; C112-L153 WeakPolarHBondContact O-CA 3.21Å; S139-L153 VanDerWaalsContact CA-O 3.3Å; S139-L153 WeakPolarHBondContact CA-O 3.42Å; S139-L153 PolarHBondContact OG-O 3.04Å; T140-L153 HydrophobicContact CG2-CB 3.79Å; T140-L153 HydrophobicContact CG2-CD1 4.15Å; T140-L153 HydrophobicContact CG2-CG 4.2Å; T140-L153 PolarHBondContact N-O 2.91Å; T140-L153 PolarHBondContact OG1-N 3.43Å
154	V	97.9	Very high	93.6	Very high	8 Å²	8	64.4 Å²	64.4	5%	0.048	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	113.2	172.3	-175.7	0	0	0	0	108.5	C112 V124 W126 V137	C112-V154 WeakPolarHBondContact CB-O 3.47Å; C112-V154 PolarHBondContact N-O 3.48Å; C112-V154 PolarHBondContact O-N 3.29Å; V124-V154 HydrophobicContact CB-CB 4.38Å; V124-V154 HydrophobicContact CB-CG2 3.74Å; V124-V154 HydrophobicContact CG1-CB 3.76Å; V124-V154 HydrophobicContact CG1-CG1 4.24Å; V124-V154 HydrophobicContact CG1-CG2 3.63Å; V124-V154 HydrophobicContact CG2-CG2 4.32Å; W126-V154 PolarHBondContact NE1-O 3.03Å; V137-V154 HydrophobicContact CG1-CG1 3.57Å
155	M	95.9	Very high	93.5	Very high	34 Å²	34	61 Å²	61	17%	0.167	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.1	-168.4	-62.1	162.1	-74.3	0	0	109.3	L109 L110 V111 V137 V138 T140	L109-M155 HydrophobicContact CD1-CB 3.86Å; L109-M155 HydrophobicContact CD2-CB 3.98Å; L109-M155 HydrophobicContact CD2-CG 4.02Å; L109-M155 HydrophobicContact CD2-SD 3.82Å; L109-M155 HydrophobicContact CG-CB 3.88Å; L109-M155 HydrophobicContact CG-CG 4.37Å; L110-M155 CarbonylContact O-C 3.56Å; L110-M155 VanDerWaalsContact O-CA 3.24Å; L110-M155 WeakPolarHBondContact O-CA 3.43Å; V111-M155 HydrophobicContact CG1-CG 4.19Å; V111-M155 HydrophobicContact CG2-CG 4.21Å; V137-M155 CarbonylContact C-O 3.54Å; V137-M155 VanDerWaalsContact CA-O 3.27Å; V137-M155 WeakPolarHBondContact CA-O 3.26Å; V138-M155 HydrophobicContact CB-CE 4.35Å; V138-M155 HydrophobicContact CG1-CE 4.14Å; V138-M155 PolarHBondContact N-O 3.07Å; V138-M155 PolarHBondContact O-N 2.86Å; T140-M155 HydrophobicContact CG2-CE 4.08Å
156	L	95.6	Very high	93.4	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.6	174.9	174	65.2	0	0	0	109.4	L109 L110 W126 E133 T135 V137 T158 Y166	L109-L156 WeakPolarHBondContact CA-O 3.34Å; L110-L156 HydrophobicContact CB-CB 4.49Å; L110-L156 PolarHBondContact N-O 2.87Å; L110-L156 PolarHBondContact O-N 3.46Å; W126-L156 HydrophobicContact CB-CD2 4.37Å; W126-L156 HydrophobicContact CD2-CB 4Å; W126-L156 HydrophobicContact CD2-CD2 4.21Å; W126-L156 HydrophobicContact CE3-CD2 4.3Å; W126-L156 HydrophobicContact CG-CB 4Å; W126-L156 HydrophobicContact CG-CD2 4.27Å; W126-L156 HydrophobicContact CZ2-CB 4.4Å; E133-L156 HydrophobicContact CG-CD1 3.69Å; E133-L156 HydrophobicContact CG-CD2 4.46Å; T135-L156 WeakPolarHBondContact O-CD1 3.37Å; V137-L156 HydrophobicContact CG2-CD1 3.78Å; L156-T158 HydrophobicContact CD2-CG2 4.31Å; L156-T158 HydrophobicContact CG-CG2 4.27Å; L156-T158 PolarHBondContact O-N 3.06Å; L156-Y166 HydrophobicContact CD2-CD1 3.62Å; L156-Y166 HydrophobicContact CD2-CE1 3.84Å
157	E	92.1	Very high	93.5	Very high	92 Å²	92	55.6 Å²	55.6	43%	0.43	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	114.2	170.8	-171.2	179	174.7	0	0	110	H107 L109 G136	H107-E157 HydrophobicContact CB-CG 4.13Å; H107-E157 WeakPolarHBondContact CB-OE1 3.33Å; H107-E157 IonicContact CE1-OE1 3.87Å; H107-E157 IonicContact CG-OE1 2.83Å; H107-E157 IonicContact ND1-OE1 3.78Å; H107-E157 PolarHBondContact ND1-OE1 3.19Å; L109-E157 HydrophobicContact CD1-CB 4.2Å; G136-E157 PolarHBondContact O-N 2.98Å
158	T	88.3	Confident	93.5	Very high	16 Å²	16	51.1 Å²	51.1	10%	0.098	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	167.7	-178.2	-174.9	0	0	0	0	111.8	N108 L110 L156 P160 Y166	N108-T158 CarbonylContact C-O 3.5Å; N108-T158 WeakPolarHBondContact CA-O 3.41Å; N108-T158 PolarHBondContact N-O 2.6Å; N108-T158 PolarHBondContact O-N 2.85Å; L110-T158 HydrophobicContact CD1-CG2 3.98Å; L110-T158 HydrophobicContact CG-CG2 4.23Å; L156-T158 HydrophobicContact CD2-CG2 4.31Å; L156-T158 HydrophobicContact CG-CG2 4.27Å; L156-T158 PolarHBondContact O-N 3.06Å; T158-P160 HydrophobicContact CG2-CG 4.18Å; T158-Y166 HydrophobicContact CG2-CE1 3.87Å; T158-Y166 PolarHBondContact OG1-OH 3.29Å
159	V	86.4	Confident	93.6	Very high	85 Å²	85	46.2 Å²	46.2	52%	0.515	26%	0.262	S	S	.	.			trans	-117	93.8	168.4	-177.6	0	0	0	0	106.7	R161	V159-R161 PolarHBondContact O-N 2.98Å
160	P	83.2	Confident	93.6	Very high	42 Å²	42	45.4 Å²	45.4	27%	0.273	26%	0.257	S	S	.	.			trans	-58.3	133.4	-174.2	-25.1	33.9	0	0	0	112	N108 T158 Y166 W183	N108-P160 HydrophobicContact CB-CG 4.42Å; T158-P160 HydrophobicContact CG2-CG 4.18Å; P160-Y166 HydrophobicContact CB-CE2 4.28Å; P160-W183 HydrophobicContact CB-CH2 3.78Å; P160-W183 HydrophobicContact CB-CZ3 3.75Å; P160-W183 HydrophobicContact CG-CH2 3.72Å; P160-W183 HydrophobicContact CG-CZ3 3.83Å
161	R	84.9	Confident	93.6	Very high	180 Å²	180	48.2 Å²	48.2	68%	0.679	27%	0.27	S	S	*	.			trans	-106.5	152.1	171.9	-55	178.9	177.3	-177.4	-0.9	110	V159 G163 E164	V159-R161 PolarHBondContact O-N 2.98Å; R161-G163 PolarHBondContact O-N 3.21Å; R161-E164 HydrophobicContact CB-CG 4.08Å; R161-E164 PolarHBondContact N-OE2 3.5Å; R161-E164 WeakPolarHBondContact O-CB 3.46Å; R161-E164 PolarHBondContact O-N 2.63Å
162	S	84.4	Confident	93.6	Very high	134 Å²	134	45.4 Å²	45.4	94%	0.937	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	131.1	177	-172.3	0	0	0	0	110.6
163	G	87.5	Confident	93.6	Very high	74 Å²	74	48.5 Å²	48.5	76%	0.763	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-2.1	-179.7	0	0	0	0	0	115.3	R161	R161-G163 PolarHBondContact O-N 3.21Å
164	E	91.9	Very high	93.6	Very high	35 Å²	35	47 Å²	47	16%	0.164	27%	0.271	C	S	.	.			trans	-82.9	140.7	171.8	-62.6	-179.4	157.5	0	0	111	R128 N129 R161 Y166	R128-E164 IonicContact CZ-OE1 2.78Å; R128-E164 IonicContact CZ-OE2 3.57Å; R128-E164 IonicContact NE-OE1 2.85Å; R128-E164 PolarHBondContact NE-OE1 2.86Å; R128-E164 IonicContact NE-OE2 3.94Å; R128-E164 VanDerWaalsContact NH2-CD 3.27Å; R128-E164 IonicContact NH2-OE1 3.79Å; R128-E164 PolarHBondContact NH2-OE1 3.25Å; R128-E164 IonicContact NH2-OE2 3.19Å; R128-E164 PolarHBondContact NH2-OE2 3.43Å; N129-E164 WeakPolarHBondContact OD1-CA 3.41Å; R161-E164 HydrophobicContact CB-CG 4.08Å; R161-E164 PolarHBondContact N-OE2 3.5Å; R161-E164 WeakPolarHBondContact O-CB 3.46Å; R161-E164 PolarHBondContact O-N 2.63Å; E164-Y166 HydrophobicContact CB-CD2 4.44Å; E164-Y166 HydrophobicContact CB-CE2 3.74Å; E164-Y166 PolarHBondContact OE2-OH 3.1Å
165	V	94.9	Very high	93.6	Very high	60 Å²	60	47.9 Å²	47.9	36%	0.364	28%	0.276	S	S	.	.			trans	-113.7	127.6	174.9	-179.4	0	0	0	0	108.7	N129 E182	N129-V165 PolarHBondContact N-O 3.08Å; N129-V165 PolarHBondContact OD1-N 3.31Å; V165-E182 HydrophobicContact CG1-CB 4.27Å; V165-E182 HydrophobicContact CG1-CG 4.23Å
166	Y	95.9	Very high	93.6	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.2	176.2	-66.2	-94.5	0	0	0	109.5	L110 F127 R128 L156 T158 P160 E164 E182 W183	L110-Y166 HydrophobicContact CD1-CD1 3.81Å; L110-Y166 HydrophobicContact CD1-CD2 3.87Å; L110-Y166 HydrophobicContact CD1-CE1 4.35Å; L110-Y166 HydrophobicContact CD1-CE2 4.43Å; L110-Y166 HydrophobicContact CD1-CG 3.53Å; F127-Y166 CarbonylContact O-C 3.57Å; F127-Y166 WeakPolarHBondContact O-CA 3.28Å; R128-Y166 HydrophobicContact CB-CD1 4.31Å; R128-Y166 HydrophobicContact CB-CE1 4.22Å; R128-Y166 HydrophobicContact CG-CD1 4.29Å; R128-Y166 HydrophobicContact CG-CE1 3.85Å; R128-Y166 PolarHBondContact NE-OH 3.4Å; L156-Y166 HydrophobicContact CD2-CD1 3.62Å; L156-Y166 HydrophobicContact CD2-CE1 3.84Å; T158-Y166 HydrophobicContact CG2-CE1 3.87Å; T158-Y166 PolarHBondContact OG1-OH 3.29Å; P160-Y166 HydrophobicContact CB-CE2 4.28Å; E164-Y166 HydrophobicContact CB-CD2 4.44Å; E164-Y166 HydrophobicContact CB-CE2 3.74Å; E164-Y166 PolarHBondContact OE2-OH 3.1Å; Y166-E182 CarbonylContact O-C 3.59Å; Y166-E182 VanDerWaalsContact O-CA 3.31Å; Y166-E182 WeakPolarHBondContact O-CA 3.41Å; Y166-W183 AromaticContact CD2-CE3 3.85Å; Y166-W183 HydrophobicContact CD2-CE3 3.85Å; Y166-W183 AromaticContact CD2-CZ3 3.96Å; Y166-W183 HydrophobicContact CD2-CZ3 3.96Å; Y166-W183 HydrophobicContact CE2-CZ3 4.29Å; Y166-W183 HydrophobicContact CG-CE3 4.46Å; Y166-W183 PolarHBondContact N-O 2.63Å; Y166-W183 PolarHBondContact O-N 2.81Å
167	T	98.1	Very high	93.7	Very high	17 Å²	17	57 Å²	57	10%	0.104	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.6	-178.1	-45.7	0	0	0	0	109.9	W126 F127 T180 V181 E182	W126-T167 CarbonylContact C-O 3.57Å; F127-T167 PolarHBondContact N-O 3.37Å; F127-T167 PolarHBondContact O-N 3.27Å; T167-T180 HydrophobicContact CG2-CG2 4.09Å; T167-V181 WeakPolarHBondContact CA-O 3.36Å; T167-E182 HydrophobicContact CG2-CG 4.1Å
168	C	98.3	Very high	93.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.3	163.5	-177.9	0	0	0	0	109.1	V96 C112 W126 T180 V181	V96-C168 HydrophobicContact CG2-CB 3.64Å; C112-C168 HydrophobicContact CB-CB 3.6Å; C112-C168 WeakPolarHBondContact CB-SG 3.28Å; C112-C168 WeakPolarHBondContact SG-CB 3.43Å; C112-C168 CovalentContact SG-SG 2.02Å; C112-C168 PolarHBondContact SG-SG 3.15Å; W126-C168 HydrophobicContact CE3-CB 4.31Å; W126-C168 HydrophobicContact CH2-CB 4.2Å; W126-C168 HydrophobicContact CZ2-CB 4.45Å; W126-C168 HydrophobicContact CZ3-CB 4.1Å; C168-T180 WeakPolarHBondContact O-CA 3.49Å; C168-V181 PolarHBondContact N-O 3.29Å; C168-V181 PolarHBondContact O-N 3.09Å
169	Q	98.6	Very high	94.4	Very high	39 Å²	39	57.3 Å²	57.3	18%	0.182	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.9	175.7	-174.3	177.7	80	0	0	110	V124 R125 F127 P178 L179 T180	V124-Q169 CarbonylContact C-O 3.52Å; V124-Q169 WeakPolarHBondContact CA-O 3.4Å; R125-Q169 PolarHBondContact N-O 3.32Å; R125-Q169 PolarHBondContact O-N 3.45Å; F127-Q169 HydrophobicContact CD2-CB 4.08Å; F127-Q169 HydrophobicContact CE2-CB 3.73Å; F127-Q169 HydrophobicContact CE2-CG 4.41Å; Q169-P178 HydrophobicContact CG-CB 3.71Å; Q169-L179 CarbonylContact C-O 3.58Å; Q169-L179 VanDerWaalsContact CA-O 3.27Å; Q169-L179 WeakPolarHBondContact CA-O 3.39Å; Q169-T180 HydrophobicContact CB-CG2 4.11Å; Q169-T180 HydrophobicContact CG-CG2 3.9Å
170	V	98.7	Very high	94.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	121	-177.8	-179.7	0	0	0	0	109.8	P92 V94 V114 I122 E123 V124 P178 L179	P92-V170 HydrophobicContact CG-CG1 4.13Å; V94-V170 HydrophobicContact CG1-CG2 4.06Å; V94-V170 HydrophobicContact CG2-CB 4.17Å; V94-V170 HydrophobicContact CG2-CG2 3.72Å; V114-V170 HydrophobicContact CG1-CG1 4.06Å; V114-V170 HydrophobicContact CG1-CG2 4.42Å; V114-V170 HydrophobicContact CG2-CG2 3.75Å; I122-V170 HydrophobicContact CD1-CG1 3.7Å; I122-V170 HydrophobicContact CG1-CG1 3.96Å; E123-V170 CarbonylContact O-C 3.48Å; E123-V170 WeakPolarHBondContact O-CA 3.43Å; V124-V170 HydrophobicContact CG1-CG2 4.21Å; V124-V170 HydrophobicContact CG2-CG1 4.35Å; V124-V170 HydrophobicContact CG2-CG2 4.2Å; V170-P178 CarbonylContact O-C 3.46Å; V170-P178 WeakPolarHBondContact O-CA 3.42Å; V170-L179 HydrophobicContact CB-CB 4.33Å; V170-L179 PolarHBondContact N-O 2.94Å; V170-L179 PolarHBondContact O-N 2.95Å
171	E	98.6	Very high	95.6	Very high	72 Å²	72	57.1 Å²	57.1	34%	0.336	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.6	169.8	-56.4	-169.2	-176	0	0	109.7	I122 E123 R125 P178	I122-E171 WeakPolarHBondContact CG1-O 3.5Å; E123-E171 HydrophobicContact CB-CB 4.27Å; E123-E171 PolarHBondContact N-O 3.45Å; E123-E171 PolarHBondContact O-N 3.28Å; R125-E171 IonicContact CZ-OE1 2.66Å; R125-E171 IonicContact NH1-OE1 3.46Å; R125-E171 IonicContact NH2-OE1 3.67Å; R125-E171 PolarHBondContact NH2-OE1 3.2Å; E171-P178 HydrophobicContact CG-CB 4.01Å; E171-P178 HydrophobicContact CG-CG 3.98Å
172	H	98.6	Very high	96.2	Very high	10 Å²	10	55.1 Å²	55.1	5%	0.046	34%	0.341	C	S	.	.			trans	-150.8	140.7	-178	-178.8	-104.2	0	0	0	110.5	V90 P92 F117 Y118 P119 S121 I122 S174 V175	V90-H172 PolarHBondContact O-CE1 3.25Å; V90-H172 VanDerWaalsContact O-CE1 3.25Å; P92-H172 HydrophobicContact CG-CB 4.08Å; F117-H172 AromaticContact CD2-CD2 3.85Å; F117-H172 AromaticContact CD2-NE2 3.67Å; Y118-H172 PolarHBondContact O-CE1 2.95Å; P119-H172 PolarHBondContact O-NE2 2.8Å; S121-H172 PolarHBondContact O-CD2 3.27Å; S121-H172 VanDerWaalsContact O-CD2 3.28Å; I122-H172 HydrophobicContact CD1-CB 4.45Å; I122-H172 HydrophobicContact CG1-CB 4.23Å; H172-S174 PolarHBondContact CE1-OG 3.46Å; H172-S174 VanDerWaalsContact ND1-CB 3.26Å; H172-S174 WeakPolarHBondContact ND1-CB 3.29Å; H172-S174 PolarHBondContact ND1-N 2.99Å; H172-S174 PolarHBondContact ND1-OG 3.4Å; H172-S174 PolarHBondContact O-N 3.44Å; H172-V175 HydrophobicContact CB-CG2 4.25Å; H172-V175 WeakPolarHBondContact O-CG2 3.12Å; H172-V175 PolarHBondContact O-N 3.07Å
173	P	97.9	Very high	96.6	Very high	71 Å²	71	54.4 Å²	54.4	46%	0.461	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-9.8	-176.8	-26.7	35.8	0	0	0	116.2	P119 S121	P119-P173 HydrophobicContact CG-CG 4.49Å; S121-P173 WeakPolarHBondContact O-CD 3.37Å
174	S	97.8	Very high	97	Very high	16 Å²	16	53.5 Å²	53.5	11%	0.112	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-16.7	174.9	75.9	0	0	0	0	113.8	V90 H91 H172	V90-S174 PolarHBondContact O-OG 3.1Å; H91-S174 WeakPolarHBondContact CA-OG 3.21Å; H91-S174 PolarHBondContact CE1-O 3.28Å; H91-S174 PolarHBondContact NE2-O 3.13Å; H172-S174 PolarHBondContact CE1-OG 3.46Å; H172-S174 VanDerWaalsContact ND1-CB 3.26Å; H172-S174 WeakPolarHBondContact ND1-CB 3.29Å; H172-S174 PolarHBondContact ND1-N 2.99Å; H172-S174 PolarHBondContact ND1-OG 3.4Å; H172-S174 PolarHBondContact O-N 3.44Å
175	V	97.4	Very high	97.3	Very high	25 Å²	25	54.4 Å²	54.4	15%	0.152	30%	0.303	C	S	.	.			trans	-113.3	146.2	-177.2	-69.5	0	0	0	0	110.1	H91 H172 S177 L179	H91-V175 WeakPolarHBondContact CD2-CG1 3.4Å; H172-V175 HydrophobicContact CB-CG2 4.25Å; H172-V175 WeakPolarHBondContact O-CG2 3.12Å; H172-V175 PolarHBondContact O-N 3.07Å; V175-S177 WeakPolarHBondContact CG2-O 3.41Å; V175-L179 HydrophobicContact CG1-CD1 4.36Å; V175-L179 HydrophobicContact CG1-CD2 4.2Å; V175-L179 HydrophobicContact CG1-CG 4.27Å
176	T	96.3	Very high	97.4	Very high	154 Å²	154	54.1 Å²	54.1	95%	0.945	30%	0.299	S	S	*	.	S	Bend	trans	-84.2	-18.4	179.4	50.5	0	0	0	0	113.3
177	S	96.9	Very high	97.5	Very high	75 Å²	75	57.2 Å²	57.2	52%	0.524	32%	0.317	S	S	.	.	S	Bend	trans	-139.4	152.2	177.3	55	0	0	0	0	110.1	V175 L179	V175-S177 WeakPolarHBondContact CG2-O 3.41Å; S177-L179 PolarHBondContact O-N 2.92Å
178	P	97.5	Very high	97.5	Very high	58 Å²	58	59.8 Å²	59.8	38%	0.377	33%	0.33	S	S	.	.			trans	-59.9	133.6	179.9	-22.2	32.5	0	0	0	111.7	Q169 V170 E171	Q169-P178 HydrophobicContact CG-CB 3.71Å; V170-P178 CarbonylContact O-C 3.46Å; V170-P178 WeakPolarHBondContact O-CA 3.42Å; E171-P178 HydrophobicContact CG-CB 4.01Å; E171-P178 HydrophobicContact CG-CG 3.98Å
179	L	98	Very high	97.4	Very high	55 Å²	55	63.7 Å²	63.7	29%	0.288	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.2	170.9	-58.3	179.9	0	0	0	108.8	P92 V94 Q169 V170 V175 S177	P92-L179 HydrophobicContact CG-CD1 3.81Å; V94-L179 HydrophobicContact CG2-CB 4.33Å; V94-L179 HydrophobicContact CG2-CD1 3.95Å; Q169-L179 CarbonylContact C-O 3.58Å; Q169-L179 VanDerWaalsContact CA-O 3.27Å; Q169-L179 WeakPolarHBondContact CA-O 3.39Å; V170-L179 HydrophobicContact CB-CB 4.33Å; V170-L179 PolarHBondContact N-O 2.94Å; V170-L179 PolarHBondContact O-N 2.95Å; V175-L179 HydrophobicContact CG1-CD1 4.36Å; V175-L179 HydrophobicContact CG1-CD2 4.2Å; V175-L179 HydrophobicContact CG1-CG 4.27Å; S177-L179 PolarHBondContact O-N 2.92Å
180	T	97.9	Very high	97.3	Very high	81 Å²	81	65.5 Å²	65.5	50%	0.497	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.2	176.3	49.1	0	0	0	0	110.1	T167 C168 Q169	T167-T180 HydrophobicContact CG2-CG2 4.09Å; C168-T180 WeakPolarHBondContact O-CA 3.49Å; Q169-T180 HydrophobicContact CB-CG2 4.11Å; Q169-T180 HydrophobicContact CG-CG2 3.9Å
181	V	98.1	Very high	97.2	Very high	43 Å²	43	70.5 Å²	70.5	26%	0.261	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.2	174.1	-179.3	0	0	0	0	107.9	V94 V96 T167 C168	V94-V181 HydrophobicContact CB-CG2 3.84Å; V94-V181 HydrophobicContact CG1-CB 4.19Å; V94-V181 HydrophobicContact CG1-CG2 3.63Å; V96-V181 HydrophobicContact CB-CG1 4.01Å; V96-V181 HydrophobicContact CG2-CB 3.88Å; V96-V181 HydrophobicContact CG2-CG1 3.71Å; T167-V181 WeakPolarHBondContact CA-O 3.36Å; C168-V181 PolarHBondContact N-O 3.29Å; C168-V181 PolarHBondContact O-N 3.09Å
182	E	96.6	Very high	97.1	Very high	138 Å²	138	70.4 Å²	70.4	65%	0.645	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	150.7	-179.9	-63	-177.1	167.9	0	0	111.3	V165 Y166 T167	V165-E182 HydrophobicContact CG1-CB 4.27Å; V165-E182 HydrophobicContact CG1-CG 4.23Å; Y166-E182 CarbonylContact O-C 3.59Å; Y166-E182 VanDerWaalsContact O-CA 3.31Å; Y166-E182 WeakPolarHBondContact O-CA 3.41Å; T167-E182 HydrophobicContact CG2-CG 4.1Å
183	W	92.3	Very high	97	Very high	119 Å²	119	75.9 Å²	75.9	45%	0.451	43%	0.428	S	S	.	.			trans	-133.7	0	171.2	179.1	90.5	0	0	0	110.1	V96 L110 P160 Y166	V96-W183 HydrophobicContact CB-CB 4.4Å; V96-W183 HydrophobicContact CG1-CB 3.56Å; V96-W183 HydrophobicContact CG1-CG 4.12Å; L110-W183 HydrophobicContact CD1-CD2 4.27Å; L110-W183 HydrophobicContact CD1-CE3 3.66Å; L110-W183 HydrophobicContact CD1-CZ3 3.97Å; L110-W183 HydrophobicContact CD2-CD2 3.53Å; L110-W183 HydrophobicContact CD2-CE3 3.66Å; L110-W183 HydrophobicContact CD2-CG 4.12Å; L110-W183 HydrophobicContact CD2-CH2 4.04Å; L110-W183 HydrophobicContact CD2-CZ2 3.92Å; L110-W183 HydrophobicContact CD2-CZ3 3.91Å; L110-W183 HydrophobicContact CG-CE3 4.32Å; P160-W183 HydrophobicContact CB-CH2 3.78Å; P160-W183 HydrophobicContact CB-CZ3 3.75Å; P160-W183 HydrophobicContact CG-CH2 3.72Å; P160-W183 HydrophobicContact CG-CZ3 3.83Å; Y166-W183 AromaticContact CD2-CE3 3.85Å; Y166-W183 HydrophobicContact CD2-CE3 3.85Å; Y166-W183 AromaticContact CD2-CZ3 3.96Å; Y166-W183 HydrophobicContact CD2-CZ3 3.96Å; Y166-W183 HydrophobicContact CE2-CZ3 4.29Å; Y166-W183 HydrophobicContact CG-CE3 4.46Å; Y166-W183 PolarHBondContact N-O 2.63Å; Y166-W183 PolarHBondContact O-N 2.81Å

Retrieved 183 of 183 residues in 220.5 ms (Link to these results)

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