F4NC33_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession F4NC33, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 337 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	40.5	Very low	243 Å²	243	137.9 Å²	137.9	100%	1.197	71%	0.706	S	S	*	*				0	101.7	0	-73.2	166.3	-178.7	0	0	108.1
2	R	31.8	Very low	40.8	Very low	242 Å²	242	137.4 Å²	137.4	91%	0.913	71%	0.705	S	S	*	*			trans	-96.8	108.5	168.5	-89	-178.5	174.4	166.9	-1.8	106.1	T4	R2-T4 PolarHBondContact O-N 3.33Å; R2-T4 VanDerWaalsContact O-N 3.16Å
3	V	36	Very low	40.6	Very low	142 Å²	142	133.9 Å²	133.9	86%	0.861	69%	0.687	S	S	*	*			trans	-74.3	101.7	171.4	179	0	0	0	0	106.4	A5	V3-A5 PolarHBondContact O-N 3.16Å
4	T	40.1	Very low	40	Very low	127 Å²	127	137.4 Å²	137.4	78%	0.779	69%	0.688	S	S	*	*			trans	-75.2	106.3	167.2	41.7	0	0	0	0	107.7	R2	R2-T4 PolarHBondContact O-N 3.33Å; R2-T4 VanDerWaalsContact O-N 3.16Å
5	A	41	Very low	40.1	Very low	57 Å²	57	130.6 Å²	130.6	47%	0.471	67%	0.666	S	S	.	*			trans	-60.8	142.7	166.9	0	0	0	0	0	109.3	V3 R7 L10	V3-A5 PolarHBondContact O-N 3.16Å; A5-R7 PolarHBondContact O-N 3.32Å; A5-L10 HydrophobicContact CB-CD1 4.22Å
6	P	43.7	Very low	40.3	Very low	72 Å²	72	125 Å²	125	47%	0.468	65%	0.646	S	S	.	*			trans	-65.1	128	-179.5	0.4	10.5	0	0	0	109.5	T8 L9	P6-T8 PolarHBondContact O-N 3.34Å; P6-L9 HydrophobicContact CG-CB 4.44Å; P6-L9 WeakPolarHBondContact O-CB 3.46Å; P6-L9 PolarHBondContact O-N 3.03Å
7	R	43.8	Very low	40.3	Very low	226 Å²	226	123.4 Å²	123.4	85%	0.853	64%	0.638	S	S	*	*	H	α-helix	trans	-51.6	-27.4	178.8	-102.4	177.1	157.4	123.7	-5.6	113.7	A5 L11	A5-R7 PolarHBondContact O-N 3.32Å; R7-L11 WeakPolarHBondContact O-CG 3.43Å; R7-L11 PolarHBondContact O-N 2.93Å
8	T	47.6	Very low	40.2	Very low	96 Å²	96	119.6 Å²	119.6	59%	0.589	63%	0.628	S	S	*	*	H	α-helix	trans	-69.7	-35.9	175.7	34.9	0	0	0	0	113.4	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 3.34Å; T8-L10 VanDerWaalsContact C-N 3.34Å; T8-L11 PolarHBondContact O-N 3.35Å; T8-L12 PolarHBondContact O-N 2.89Å
9	L	42.4	Very low	40.2	Very low	101 Å²	101	117.6 Å²	117.6	53%	0.529	62%	0.618	S	S	.	*	H	α-helix	trans	-68.8	-36.2	177.5	-141.6	99.6	0	0	0	111.3	P6 L13	P6-L9 HydrophobicContact CG-CB 4.44Å; P6-L9 WeakPolarHBondContact O-CB 3.46Å; P6-L9 PolarHBondContact O-N 3.03Å; L9-L13 HydrophobicContact CD2-CD1 4.37Å; L9-L13 WeakPolarHBondContact O-CB 3.36Å; L9-L13 WeakPolarHBondContact O-CD1 3.41Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.12Å; L9-L13 VanDerWaalsContact O-N 3.12Å
10	L	39.7	Very low	40.2	Very low	90 Å²	90	115.4 Å²	115.4	47%	0.471	61%	0.609	S	S	.	*	H	α-helix	trans	-66.9	-37.2	176.4	-111.7	99.8	0	0	0	112.5	A5 T8 W14	A5-L10 HydrophobicContact CB-CD1 4.22Å; T8-L10 VanDerWaalsContact C-N 3.34Å; L10-W14 WeakPolarHBondContact O-CB 3.39Å; L10-W14 PolarHBondContact O-N 3.41Å
11	L	45.4	Very low	40.3	Very low	121 Å²	121	117.9 Å²	117.9	63%	0.634	62%	0.617	S	S	*	*	H	α-helix	trans	-72.1	-38.8	179.5	-72.1	167.1	0	0	0	112.4	R7 T8 W14 G15	R7-L11 WeakPolarHBondContact O-CG 3.43Å; R7-L11 PolarHBondContact O-N 2.93Å; T8-L11 PolarHBondContact O-N 3.35Å; L11-W14 PolarHBondContact O-N 3.19Å; L11-G15 PolarHBondContact O-N 3.01Å
12	L	44.1	Very low	40.9	Very low	132 Å²	132	110.8 Å²	110.8	69%	0.691	59%	0.588	S	S	*	*	H	α-helix	trans	-66.5	-39.6	174.3	-72.3	169	0	0	0	112	T8 G15 A16	T8-L12 PolarHBondContact O-N 2.89Å; L12-G15 PolarHBondContact O-N 2.97Å; L12-A16 WeakPolarHBondContact O-CB 3.21Å; L12-A16 PolarHBondContact O-N 3.46Å
13	L	37.6	Very low	41.8	Very low	92 Å²	92	101.6 Å²	101.6	48%	0.482	55%	0.553	S	S	.	*	H	α-helix	trans	-64.8	-38.9	173.7	-79.5	162.1	0	0	0	111.8	L9 L17	L9-L13 HydrophobicContact CD2-CD1 4.37Å; L9-L13 WeakPolarHBondContact O-CB 3.36Å; L9-L13 WeakPolarHBondContact O-CD1 3.41Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.12Å; L9-L13 VanDerWaalsContact O-N 3.12Å; L13-L17 WeakPolarHBondContact O-CB 3.22Å; L13-L17 WeakPolarHBondContact O-CD1 3.19Å; L13-L17 WeakPolarHBondContact O-CG 3.32Å; L13-L17 PolarHBondContact O-N 2.91Å
14	W	33	Very low	42.9	Very low	182 Å²	182	97.7 Å²	97.7	69%	0.689	54%	0.535	S	S	*	.	H	α-helix	trans	-70.2	-36.9	175.6	-81.6	27	0	0	0	112.9	L10 L11 A18	L10-W14 WeakPolarHBondContact O-CB 3.39Å; L10-W14 PolarHBondContact O-N 3.41Å; L11-W14 PolarHBondContact O-N 3.19Å; W14-A18 WeakPolarHBondContact O-CB 3.47Å; W14-A18 PolarHBondContact O-N 2.98Å
15	G	41.2	Very low	44.7	Very low	36 Å²	36	92.9 Å²	92.9	37%	0.371	51%	0.512	S	S	.	.	H	α-helix	trans	-63.5	-45.1	172.7	0	0	0	0	0	112.4	L11 L12 L19	L11-G15 PolarHBondContact O-N 3.01Å; L12-G15 PolarHBondContact O-N 2.97Å; G15-L19 WeakPolarHBondContact O-CD1 3.44Å; G15-L19 PolarHBondContact O-N 3.22Å
16	A	43.9	Very low	47.1	Very low	41 Å²	41	92.7 Å²	92.7	34%	0.339	51%	0.506	S	S	.	.	H	α-helix	trans	-69.3	-35.2	177.1	0	0	0	0	0	113.2	L12 T20	L12-A16 WeakPolarHBondContact O-CB 3.21Å; L12-A16 PolarHBondContact O-N 3.46Å; A16-T20 WeakPolarHBondContact O-CG2 3.39Å; A16-T20 PolarHBondContact O-N 3.04Å; A16-T20 VanDerWaalsContact O-N 3.17Å; A16-T20 PolarHBondContact O-OG1 3.23Å
17	L	39.1	Very low	49.6	Very low	98 Å²	98	90.8 Å²	90.8	51%	0.513	49%	0.491	S	S	.	.	H	α-helix	trans	-72.4	-40.1	175.5	-77.4	163.1	0	0	0	112.2	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.22Å; L13-L17 WeakPolarHBondContact O-CD1 3.19Å; L13-L17 WeakPolarHBondContact O-CG 3.32Å; L13-L17 PolarHBondContact O-N 2.91Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-L19 PolarHBondContact O-N 2.83Å; L17-T20 WeakPolarHBondContact CA-OG1 3.23Å; L17-T20 PolarHBondContact O-N 2.89Å; L17-T20 PolarHBondContact O-OG1 3.17Å; L17-T20 VanDerWaalsContact O-OG1 3.04Å; L17-E21 PolarHBondContact O-N 3.17Å
18	A	38.5	Very low	52.2	Low	55 Å²	55	81.1 Å²	81.1	46%	0.455	46%	0.459	S	S	.	.	H	α-helix	trans	-66.5	-35.3	177.9	0	0	0	0	0	112.6	W14 T22	W14-A18 WeakPolarHBondContact O-CB 3.47Å; W14-A18 PolarHBondContact O-N 2.98Å; A18-T22 VanDerWaalsContact O-CG2 3.3Å; A18-T22 WeakPolarHBondContact O-CG2 3.45Å; A18-T22 PolarHBondContact O-N 3.01Å; A18-T22 PolarHBondContact O-OG1 3.02Å
19	L	40.3	Very low	54.6	Low	82 Å²	82	76.6 Å²	76.6	43%	0.429	43%	0.431	S	S	.	.	H	α-helix	trans	-73.6	-28	173.1	-89.5	143.8	0	0	0	113	G15 L17 T22 W23	G15-L19 WeakPolarHBondContact O-CD1 3.44Å; G15-L19 PolarHBondContact O-N 3.22Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-L19 PolarHBondContact O-N 2.83Å; L19-T22 WeakPolarHBondContact CA-OG1 3.33Å; L19-T22 PolarHBondContact O-OG1 3.36Å; L19-W23 HydrophobicContact CD2-CZ2 4.02Å; L19-W23 PolarHBondContact O-NE1 3.43Å
20	T	40.8	Very low	57.3	Low	72 Å²	72	74.4 Å²	74.4	44%	0.442	42%	0.415	S	S	.	.	H	α-helix	trans	-82.4	-34.2	177.6	43.6	0	0	0	0	113.1	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.39Å; A16-T20 PolarHBondContact O-N 3.04Å; A16-T20 VanDerWaalsContact O-N 3.17Å; A16-T20 PolarHBondContact O-OG1 3.23Å; L17-T20 WeakPolarHBondContact CA-OG1 3.23Å; L17-T20 PolarHBondContact O-N 2.89Å; L17-T20 PolarHBondContact O-OG1 3.17Å; L17-T20 VanDerWaalsContact O-OG1 3.04Å; T20-T22 VanDerWaalsContact C-N 3.33Å
21	E	41.2	Very low	60.1	Low	168 Å²	168	70.9 Å²	70.9	79%	0.785	40%	0.396	S	S	*	.	H	α-helix	trans	-70.7	-25.8	174.2	-92.2	-173.7	159.1	0	0	113.5	L17 W23	L17-E21 PolarHBondContact O-N 3.17Å; E21-W23 VanDerWaalsContact C-N 3.34Å; E21-W23 PolarHBondContact O-N 2.8Å
22	T	46.9	Very low	62.6	Low	94 Å²	94	69 Å²	69	58%	0.577	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-13.5	-176.3	39	0	0	0	0	114.1	A18 L19 T20	A18-T22 VanDerWaalsContact O-CG2 3.3Å; A18-T22 WeakPolarHBondContact O-CG2 3.45Å; A18-T22 PolarHBondContact O-N 3.01Å; A18-T22 PolarHBondContact O-OG1 3.02Å; L19-T22 WeakPolarHBondContact CA-OG1 3.33Å; L19-T22 PolarHBondContact O-OG1 3.36Å; T20-T22 VanDerWaalsContact C-N 3.33Å
23	W	50.8	Low	65.2	Low	50 Å²	50	63.1 Å²	63.1	19%	0.189	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-31.5	-167	-69.7	40.5	0	0	0	113.2	L19 E21 G25 E236	L19-W23 HydrophobicContact CD2-CZ2 4.02Å; L19-W23 PolarHBondContact O-NE1 3.43Å; E21-W23 VanDerWaalsContact C-N 3.34Å; E21-W23 PolarHBondContact O-N 2.8Å; W23-G25 PolarHBondContact O-N 2.95Å; W23-E236 HydrophobicContact CD2-CG 4.36Å; W23-E236 HydrophobicContact CE3-CB 4.29Å; W23-E236 HydrophobicContact CE3-CG 3.84Å; W23-E236 HydrophobicContact CH2-CB 4.2Å; W23-E236 HydrophobicContact CH2-CG 3.13Å; W23-E236 HydrophobicContact CZ2-CG 3.64Å; W23-E236 HydrophobicContact CZ3-CB 3.81Å; W23-E236 HydrophobicContact CZ3-CG 3.21Å
24	A	59.8	Low	68.2	Low	59 Å²	59	60.4 Å²	60.4	49%	0.488	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	111.7	-175.3	0	0	0	0	0	111.4	P129	A24-P129 WeakPolarHBondContact O-CG 3.4Å
25	G	77.4	Confident	71.3	Confident	27 Å²	27	51.8 Å²	51.8	28%	0.278	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	10.5	164.5	0	0	0	0	0	116.9	W23 P129	W23-G25 PolarHBondContact O-N 2.95Å; G25-P129 VanDerWaalsContact O-CA 3.29Å; G25-P129 WeakPolarHBondContact O-CA 3.5Å
26	S	91.7	Very high	74	Confident	52 Å²	52	53 Å²	53	36%	0.364	30%	0.303	S	S	.	.			trans	-83.4	144.2	164.3	63.3	0	0	0	0	110.7	L127	S26-L127 VanDerWaalsContact CA-O 3.29Å; S26-L127 WeakPolarHBondContact CA-O 3.25Å; S26-L127 WeakPolarHBondContact CB-O 3.48Å
27	H	96.3	Very high	76.5	Confident	32 Å²	32	51.7 Å²	51.7	15%	0.148	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.3	-179.9	-67.7	-76.1	0	0	0	111.2	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.49Å; H27-D53 IonicContact CE1-OD2 2.7Å; H27-D53 IonicContact CG-OD2 2.81Å; H27-D53 IonicContact ND1-OD1 3.61Å; H27-D53 IonicContact ND1-OD2 3Å; H27-D53 PolarHBondContact ND1-OD2 2.87Å; H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.27Å; H27-L127 PolarHBondContact N-O 3.17Å; H27-L127 PolarHBondContact O-N 3.05Å; H27-L192 HydrophobicContact CB-CD1 4.5Å; H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.96Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 VanDerWaalsContact CG-CD2 3.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.37Å
28	S	97.9	Very high	79.2	Confident	24 Å²	24	50.5 Å²	50.5	17%	0.168	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.7	179.1	66	0	0	0	0	112	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.53Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.49Å; S28-D53 PolarHBondContact N-OD1 2.87Å; S28-D53 PolarHBondContact O-N 2.82Å; S28-C125 WeakPolarHBondContact CA-O 3.48Å; S28-D126 VanDerWaalsContact CB-OD1 3.23Å; S28-D126 WeakPolarHBondContact CB-OD1 3.48Å
29	M	98.7	Very high	81.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.1	167.6	-175.3	169.8	62.1	0	0	108	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.31Å; M29-Y31 HydrophobicContact CG-CE2 4.18Å; M29-Y31 HydrophobicContact SD-CE2 4.1Å; M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 WeakPolarHBondContact CA-O 3.48Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.28Å; M29-G124 CarbonylContact O-C 3.51Å; M29-G124 WeakPolarHBondContact O-CA 3.36Å; M29-C125 PolarHBondContact N-O 3.17Å; M29-C125 PolarHBondContact O-N 3.4Å; M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.49Å; M29-C188 WeakPolarHBondContact CE-SG 3.3Å; M29-W191 HydrophobicContact CE-CB 4.09Å; M29-W191 HydrophobicContact SD-CB 4.48Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.94Å; M29-L192 HydrophobicContact CB-CG 4.22Å; M29-L192 HydrophobicContact CE-CB 4.33Å; M29-L192 HydrophobicContact SD-CB 4.45Å; M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å
30	R	98.6	Very high	84.2	Confident	56 Å²	56	50.9 Å²	50.9	21%	0.211	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.8	-176.1	-58.1	-67.1	-177.2	76.7	2	110.6	F32 G50 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.41Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.93Å; R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.37Å; R30-Y51 PolarHBondContact N-O 3Å; R30-Y51 PolarHBondContact O-N 2.88Å; R30-D126 IonicContact CZ-OD1 3.94Å; R30-D126 IonicContact NE-OD1 3.86Å; R30-D126 PolarHBondContact NE-OD1 3.29Å; R30-D126 VanDerWaalsContact NE-OD1 3.15Å; R30-D126 VanDerWaalsContact NH2-CG 3.34Å; R30-D126 IonicContact NH2-OD1 2.79Å; R30-D126 PolarHBondContact NH2-OD1 3Å; R30-D126 IonicContact NH2-OD2 3.87Å; R30-D126 PolarHBondContact NH2-OD2 3.37Å; R30-D126 VanDerWaalsContact NH2-OD2 3.11Å; R30-H137 PolarHBondContact NH2-NE2 3.4Å
31	Y	98.8	Very high	86.7	Confident	15 Å²	15	57.5 Å²	57.5	6%	0.059	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.6	169.2	-72.2	-85.9	0	0	0	109.7	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.31Å; M29-Y31 HydrophobicContact CG-CE2 4.18Å; M29-Y31 HydrophobicContact SD-CE2 4.1Å; Y31-Y33 HydrophobicContact CD1-CE1 4.19Å; Y31-Y33 HydrophobicContact CG-CE1 4.37Å; Y31-V49 WeakPolarHBondContact CA-O 3.33Å; Y31-F57 HydrophobicContact CE1-CZ 4.02Å; Y31-F57 HydrophobicContact CE2-CZ 4.48Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.33Å; Y31-V58 HydrophobicContact CE1-CG2 3.95Å; Y31-M122 WeakPolarHBondContact O-CA 3.49Å; Y31-Y123 AromaticContact CD2-CE2 3.83Å; Y31-Y123 HydrophobicContact CD2-CE2 3.83Å; Y31-Y123 AromaticContact CD2-CZ 3.84Å; Y31-Y123 HydrophobicContact CG-CE1 4.29Å; Y31-Y123 HydrophobicContact CG-CE2 4.31Å; Y31-Y123 AromaticContact CG-CZ 3.86Å; Y31-Y123 PolarHBondContact N-O 2.8Å; Y31-Y123 PolarHBondContact O-N 2.8Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32	F	98.8	Very high	89.1	Confident	83 Å²	83	52.1 Å²	52.1	36%	0.364	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.2	178.1	-58.1	-94.1	0	0	0	109.5	R30 A48 V49 Y51 T121 M122	R30-F32 HydrophobicContact CB-CD2 4.41Å; R30-F32 HydrophobicContact CB-CE2 3.6Å; R30-F32 HydrophobicContact CB-CZ 3.93Å; F32-A48 WeakPolarHBondContact O-CA 3.32Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.2Å; F32-V49 PolarHBondContact O-N 3.45Å; F32-Y51 HydrophobicContact CD2-CD2 4.15Å; F32-Y51 HydrophobicContact CE2-CD2 4.2Å; F32-T121 WeakPolarHBondContact CA-O 3.36Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 4.09Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CZ-CG 3.98Å
33	Y	98.8	Very high	91.4	Very high	7 Å²	7	51.7 Å²	51.7	3%	0.027	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.3	179.1	-60.4	-8.9	0	0	0	109.5	Y31 F46 I47 A48 F91 N94 Y98 Q120 T121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.19Å; Y31-Y33 HydrophobicContact CG-CE1 4.37Å; Y33-F46 HydrophobicContact CD1-CZ 4.38Å; Y33-F46 HydrophobicContact CD2-CE2 4.33Å; Y33-F46 AromaticContact CD2-CZ 4Å; Y33-F46 HydrophobicContact CD2-CZ 4Å; Y33-F46 HydrophobicContact CG-CE2 4.22Å; Y33-F46 AromaticContact CG-CZ 3.9Å; Y33-F46 HydrophobicContact CG-CZ 3.9Å; Y33-I47 WeakPolarHBondContact CA-O 3.49Å; Y33-A48 HydrophobicContact CD1-CB 3.31Å; Y33-A48 HydrophobicContact CE1-CB 3.49Å; Y33-A48 VanDerWaalsContact CE1-CB 3.49Å; Y33-A48 HydrophobicContact CG-CB 4.21Å; Y33-F91 HydrophobicContact CE1-CD1 4.34Å; Y33-F91 AromaticContact CE1-CE1 3.62Å; Y33-F91 HydrophobicContact CE1-CE1 3.62Å; Y33-F91 AromaticContact CZ-CE1 3.63Å; Y33-F91 VanDerWaalsContact OH-CE1 3.29Å; Y33-F91 WeakPolarHBondContact OH-CE1 3.25Å; Y33-N94 WeakPolarHBondContact CE2-ND2 3.18Å; Y33-Y98 HydrophobicContact CD2-CE2 4.19Å; Y33-Y98 AromaticContact CD2-CZ 3.85Å; Y33-Y98 WeakPolarHBondContact CD2-OH 3.38Å; Y33-Q120 CarbonylContact O-C 3.59Å; Y33-Q120 VanDerWaalsContact O-CA 3.26Å; Y33-Q120 WeakPolarHBondContact O-CA 3.39Å; Y33-T121 PolarHBondContact N-O 2.63Å; Y33-T121 PolarHBondContact O-N 2.89Å; Y33-Y123 HydrophobicContact CD2-CE1 4.18Å; Y33-Y123 HydrophobicContact CE1-CE1 4.1Å; Y33-Y123 AromaticContact CE2-CE1 3.54Å; Y33-Y123 HydrophobicContact CE2-CE1 3.54Å; Y33-Y123 AromaticContact CZ-CE1 3.5Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.5Å; Y33-Y123 AromaticContact CZ-CZ 3.89Å; Y33-Y123 PolarHBondContact OH-OH 2.92Å
34	T	98.8	Very high	93.6	Very high	35 Å²	35	50.2 Å²	50.2	22%	0.215	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122.3	178.4	-56.7	0	0	0	0	109.2	M36 F46 I47 T118 W119 Q120	T34-M36 HydrophobicContact CG2-CE 4.07Å; T34-M36 HydrophobicContact CG2-CG 4.04Å; T34-M36 HydrophobicContact CG2-SD 4.11Å; T34-F46 WeakPolarHBondContact O-CA 3.23Å; T34-I47 PolarHBondContact N-O 2.94Å; T34-I47 PolarHBondContact O-N 2.91Å; T34-T118 HydrophobicContact CG2-CG2 4.02Å; T34-W119 WeakPolarHBondContact CA-O 3.13Å; T34-Q120 HydrophobicContact CG2-CG 4.05Å
35	A	98.5	Very high	95.4	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.017	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.5	168.8	0	0	0	0	0	110.4	R45 F46 Y98 L102 T118 W119	A35-R45 CarbonylContact C-O 3.55Å; A35-R45 VanDerWaalsContact CA-O 3.26Å; A35-R45 WeakPolarHBondContact CA-O 3.38Å; A35-F46 HydrophobicContact CB-CD2 4.28Å; A35-Y98 HydrophobicContact CB-CD1 3.75Å; A35-Y98 HydrophobicContact CB-CG 4.15Å; A35-L102 HydrophobicContact CB-CD1 3.97Å; A35-T118 CarbonylContact O-C 3.55Å; A35-T118 WeakPolarHBondContact O-CA 3.48Å; A35-W119 HydrophobicContact CB-CB 4.46Å; A35-W119 PolarHBondContact N-O 3.13Å; A35-W119 PolarHBondContact O-N 2.82Å
36	M	98.2	Very high	96.4	Very high	60 Å²	60	50 Å²	50	30%	0.296	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	116.9	-178.4	-68	155.6	-68.5	0	0	109.5	T34 P44 R45 I47 H117 T118	T34-M36 HydrophobicContact CG2-CE 4.07Å; T34-M36 HydrophobicContact CG2-CG 4.04Å; T34-M36 HydrophobicContact CG2-SD 4.11Å; M36-P44 CarbonylContact O-C 3.52Å; M36-P44 WeakPolarHBondContact O-CA 3.15Å; M36-P44 WeakPolarHBondContact O-CB 3.35Å; M36-R45 HydrophobicContact CE-CB 4.45Å; M36-R45 HydrophobicContact CE-CG 4.48Å; M36-R45 PolarHBondContact N-O 3.49Å; M36-R45 PolarHBondContact O-N 3.23Å; M36-I47 HydrophobicContact CE-CD1 3.96Å; M36-I47 HydrophobicContact CE-CG1 4.39Å; M36-H117 WeakPolarHBondContact CA-O 3.49Å; M36-T118 HydrophobicContact CG-CG2 4.15Å
37	S	97.5	Very high	96.8	Very high	14 Å²	14	49.3 Å²	49.3	10%	0.098	26%	0.264	C	S	.	.			trans	-71.1	144.3	172.7	77.1	0	0	0	0	110.3	S116 H117	S37-S116 PolarHBondContact O-OG 2.85Å; S37-H117 PolarHBondContact N-O 3.47Å; S37-H117 PolarHBondContact OG-N 2.98Å; S37-H117 PolarHBondContact OG-O 2.75Å
38	R	95.4	Very high	96.9	Very high	74 Å²	74	47.8 Å²	47.8	28%	0.279	26%	0.257	S	S	.	.			trans	-137.8	72.3	-179.1	53.2	174.5	175.4	-159.1	-10.3	110.7	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.4Å; R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 WeakPolarHBondContact CD-O 3.37Å; R38-R41 HydrophobicContact CG-CB 4.22Å; R38-R41 PolarHBondContact NE-O 3.18Å; R38-R41 PolarHBondContact O-N 2.7Å; R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 3.26Å; R38-E43 PolarHBondContact NH2-O 2.75Å; R38-D63 IonicContact CZ-OD1 3.53Å; R38-D63 IonicContact CZ-OD2 3.52Å; R38-D63 IonicContact NH1-OD1 2.72Å; R38-D63 IonicContact NH1-OD2 2.87Å; R38-D63 PolarHBondContact NH1-OD2 2.66Å; R38-D63 IonicContact NH2-OD1 3.52Å; R38-D63 PolarHBondContact NH2-OD1 2.94Å; R38-D63 IonicContact NH2-OD2 3.64Å
39	P	91.8	Very high	96.9	Very high	56 Å²	56	48 Å²	48	36%	0.364	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	131.5	-176.4	-26.7	34.4	0	0	0	112.2	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.49Å; P39-E113 WeakPolarHBondContact CB-O 3.46Å; P39-E113 WeakPolarHBondContact CG-O 3.1Å; P39-G115 WeakPolarHBondContact CG-O 3.37Å
40	G	91.3	Very high	96.9	Very high	89 Å²	89	48 Å²	48	92%	0.918	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	1.4	-177.7	0	0	0	0	0	116	R38	R38-G40 PolarHBondContact O-N 3.4Å
41	R	93.3	Very high	96.9	Very high	210 Å²	210	48.6 Å²	48.6	79%	0.792	26%	0.26	S	S	*	.	S	Bend	trans	-123.2	23.7	179.5	-58.6	-175.3	-178.5	178.6	0.9	113.3	R38 P39	R38-R41 HydrophobicContact CB-CB 4.13Å; R38-R41 WeakPolarHBondContact CD-O 3.37Å; R38-R41 HydrophobicContact CG-CB 4.22Å; R38-R41 PolarHBondContact NE-O 3.18Å; R38-R41 PolarHBondContact O-N 2.7Å; P39-R41 PolarHBondContact O-N 3.49Å
42	G	91.9	Very high	96.9	Very high	56 Å²	56	47.9 Å²	47.9	58%	0.577	26%	0.257	S	S	*	.	S	Bend	trans	97.3	-164.8	179.1	0	0	0	0	0	113.8
43	E	94.9	Very high	96.8	Very high	84 Å²	84	45.3 Å²	45.3	39%	0.393	25%	0.247	S	C	.	.	S	Bend	trans	-70	154.5	-177.9	-68.9	-67.6	176.6	0	0	112.4	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.26Å; R38-E43 PolarHBondContact NE-O 3.26Å; R38-E43 PolarHBondContact NH2-O 2.75Å; E43-R45 PolarHBondContact O-N 3.4Å; E43-R99 IonicContact OE1-CZ 3.69Å; E43-R99 IonicContact OE1-NH1 3.58Å; E43-R99 PolarHBondContact OE1-NH1 3.15Å; E43-R99 WeakPolarHBondContact OE2-CD 3.42Å; E43-R99 IonicContact OE2-CZ 3.74Å; E43-R99 IonicContact OE2-NE 2.82Å; E43-R99 PolarHBondContact OE2-NE 2.78Å; E43-R99 IonicContact OE2-NH1 3.56Å; E43-R99 PolarHBondContact OE2-NH1 3.3Å; E43-R99 IonicContact OE2-NH2 2.99Å
44	P	96.9	Very high	96.7	Very high	19 Å²	19	47.9 Å²	47.9	12%	0.123	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-52.7	135.1	175.1	-26	34.9	0	0	0	112.1	M36 R99 L102	M36-P44 CarbonylContact O-C 3.52Å; M36-P44 WeakPolarHBondContact O-CA 3.15Å; M36-P44 WeakPolarHBondContact O-CB 3.35Å; P44-R99 HydrophobicContact CG-CB 4.48Å; P44-R99 HydrophobicContact CG-CG 4.15Å; P44-L102 HydrophobicContact CB-CD1 3.68Å; P44-L102 HydrophobicContact CG-CD1 3.86Å
45	R	98.1	Very high	96.6	Very high	80 Å²	80	47 Å²	47	30%	0.302	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	129.7	174.5	-177.1	-178.8	-176.5	-178.6	-0.9	108.9	A35 M36 E43 I47 D61 D63	A35-R45 CarbonylContact C-O 3.55Å; A35-R45 VanDerWaalsContact CA-O 3.26Å; A35-R45 WeakPolarHBondContact CA-O 3.38Å; M36-R45 HydrophobicContact CE-CB 4.45Å; M36-R45 HydrophobicContact CE-CG 4.48Å; M36-R45 PolarHBondContact N-O 3.49Å; M36-R45 PolarHBondContact O-N 3.23Å; E43-R45 PolarHBondContact O-N 3.4Å; R45-I47 HydrophobicContact CG-CG1 4.29Å; R45-D61 IonicContact CZ-OD1 3.62Å; R45-D61 IonicContact CZ-OD2 3.05Å; R45-D61 IonicContact NE-OD1 2.77Å; R45-D61 PolarHBondContact NE-OD1 3Å; R45-D61 IonicContact NE-OD2 3.31Å; R45-D61 IonicContact NH2-OD1 3.57Å; R45-D61 PolarHBondContact NH2-OD1 2.94Å; R45-D61 IonicContact NH2-OD2 3.23Å; R45-D61 PolarHBondContact NH2-OD2 2.98Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.37Å; R45-D63 HydrophobicContact CG-CB 4.38Å; R45-D63 IonicContact NE-OD2 3.67Å
46	F	98.6	Very high	96.6	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	127	176	177.4	-95.1	0	0	0	110.1	Y33 T34 A35 A48 F60 S62 F91 N94 T95 Y98	Y33-F46 HydrophobicContact CD1-CZ 4.38Å; Y33-F46 HydrophobicContact CD2-CE2 4.33Å; Y33-F46 AromaticContact CD2-CZ 4Å; Y33-F46 HydrophobicContact CD2-CZ 4Å; Y33-F46 HydrophobicContact CG-CE2 4.22Å; Y33-F46 AromaticContact CG-CZ 3.9Å; Y33-F46 HydrophobicContact CG-CZ 3.9Å; T34-F46 WeakPolarHBondContact O-CA 3.23Å; A35-F46 HydrophobicContact CB-CD2 4.28Å; F46-A48 HydrophobicContact CE1-CB 3.83Å; F46-A48 HydrophobicContact CZ-CB 4.04Å; F46-F60 AromaticContact CD1-CD1 3.78Å; F46-F60 HydrophobicContact CD1-CD1 3.78Å; F46-F60 AromaticContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CE1-CD1 4Å; F46-F60 HydrophobicContact CE1-CE1 4.34Å; F46-S62 PolarHBondContact N-OG 3.02Å; F46-S62 PolarHBondContact O-N 3.21Å; F46-S62 PolarHBondContact O-OG 2.98Å; F46-F91 HydrophobicContact CE1-CB 4.34Å; F46-F91 HydrophobicContact CE1-CD1 4.15Å; F46-N94 HydrophobicContact CE1-CB 4.35Å; F46-N94 HydrophobicContact CE2-CB 4.2Å; F46-N94 HydrophobicContact CZ-CB 3.78Å; F46-T95 HydrophobicContact CB-CG2 3.94Å; F46-T95 VanDerWaalsContact CD1-OG1 3.27Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.49Å; F46-Y98 HydrophobicContact CD2-CD1 4.16Å; F46-Y98 HydrophobicContact CD2-CD2 4.44Å; F46-Y98 AromaticContact CD2-CG 3.98Å; F46-Y98 HydrophobicContact CD2-CG 3.98Å; F46-Y98 AromaticContact CE2-CD1 3.94Å; F46-Y98 HydrophobicContact CE2-CD1 3.94Å; F46-Y98 AromaticContact CE2-CD2 3.91Å; F46-Y98 HydrophobicContact CE2-CD2 3.91Å; F46-Y98 HydrophobicContact CE2-CE1 4.18Å; F46-Y98 HydrophobicContact CE2-CE2 4.14Å; F46-Y98 AromaticContact CE2-CG 3.81Å; F46-Y98 HydrophobicContact CE2-CG 3.81Å
47	I	98.8	Very high	96.6	Very high	38 Å²	38	46.5 Å²	46.5	20%	0.195	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.4	175.3	-57.8	176	0	0	0	107.7	Y33 T34 M36 R45 V49 F60	Y33-I47 WeakPolarHBondContact CA-O 3.49Å; T34-I47 PolarHBondContact N-O 2.94Å; T34-I47 PolarHBondContact O-N 2.91Å; M36-I47 HydrophobicContact CE-CD1 3.96Å; M36-I47 HydrophobicContact CE-CG1 4.39Å; R45-I47 HydrophobicContact CG-CG1 4.29Å; I47-V49 HydrophobicContact CG2-CG1 4.42Å; I47-F60 WeakPolarHBondContact CA-O 3.29Å
48	A	98.8	Very high	96.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.9	170.8	0	0	0	0	0	110.1	F32 Y33 F46 R59 F60 F91	F32-A48 WeakPolarHBondContact O-CA 3.32Å; Y33-A48 HydrophobicContact CD1-CB 3.31Å; Y33-A48 HydrophobicContact CE1-CB 3.49Å; Y33-A48 VanDerWaalsContact CE1-CB 3.49Å; Y33-A48 HydrophobicContact CG-CB 4.21Å; F46-A48 HydrophobicContact CE1-CB 3.83Å; F46-A48 HydrophobicContact CZ-CB 4.04Å; A48-R59 CarbonylContact O-C 3.59Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.46Å; A48-F60 HydrophobicContact CB-CB 4.25Å; A48-F60 PolarHBondContact N-O 3.04Å; A48-F60 PolarHBondContact O-N 3.42Å; A48-F91 HydrophobicContact CB-CD1 3.65Å; A48-F91 HydrophobicContact CB-CE1 3.46Å; A48-F91 VanDerWaalsContact CB-CE1 3.46Å; A48-F91 HydrophobicContact CB-CZ 4.24Å
49	V	98.9	Very high	96.8	Very high	27 Å²	27	46.5 Å²	46.5	16%	0.164	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.9	173.1	-62.7	0	0	0	0	109.8	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.33Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 3.2Å; F32-V49 PolarHBondContact O-N 3.45Å; I47-V49 HydrophobicContact CG2-CG1 4.42Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.3Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; V49-V58 WeakPolarHBondContact CA-O 3.32Å; V49-R59 HydrophobicContact CG1-CB 4.43Å; V49-R59 HydrophobicContact CG1-CG 4.23Å
50	G	98.7	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137.9	176.1	0	0	0	0	0	110.6	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.58Å; R30-G50 WeakPolarHBondContact O-CA 3.37Å; G50-Q56 WeakPolarHBondContact O-CA 3.44Å; G50-Q56 WeakPolarHBondContact O-CG 3.27Å; G50-F57 WeakPolarHBondContact O-CD1 3.03Å; G50-F57 PolarHBondContact O-N 2.78Å; G50-V58 PolarHBondContact N-O 2.88Å; G50-V58 VanDerWaalsContact N-O 3.12Å; G50-V58 PolarHBondContact O-N 3.32Å
51	Y	98.7	Very high	97.5	Very high	70 Å²	70	40.5 Å²	40.5	28%	0.275	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141	178.6	-78.3	-102.4	0	0	0	110.6	M29 R30 F32 V49 T55 Q56 F57	M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 WeakPolarHBondContact CA-O 3.48Å; R30-Y51 PolarHBondContact N-O 3Å; R30-Y51 PolarHBondContact O-N 2.88Å; F32-Y51 HydrophobicContact CD2-CD2 4.15Å; F32-Y51 HydrophobicContact CE2-CD2 4.2Å; V49-Y51 HydrophobicContact CB-CE2 4.11Å; V49-Y51 HydrophobicContact CG2-CD2 4.3Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 WeakPolarHBondContact CA-O 3.39Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.28Å; Y51-Q56 HydrophobicContact CE1-CB 3.55Å; Y51-Q56 HydrophobicContact CE1-CG 4.29Å; Y51-Q56 HydrophobicContact CE2-CB 3.99Å; Y51-Q56 HydrophobicContact CE2-CG 3.79Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å; Y51-Q56 PolarHBondContact OH-OE1 3.05Å; Y51-F57 VanDerWaalsContact N-CE1 3.32Å
52	V	98.4	Very high	97.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.7	156.7	177.3	0	0	0	0	106.1	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.53Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.49Å; M29-V52 HydrophobicContact CG-CG2 4.38Å; V52-D54 PolarHBondContact O-N 2.85Å; V52-T55 PolarHBondContact N-O 2.8Å; V52-T55 WeakPolarHBondContact O-CB 3.39Å; V52-T55 PolarHBondContact O-N 3.18Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 3.97Å; V52-W75 HydrophobicContact CB-CH2 4.43Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-W75 HydrophobicContact CG2-CZ2 4.49Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; V52-Y195 HydrophobicContact CG2-CD2 3.92Å; V52-Y195 HydrophobicContact CG2-CG 4.47Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	96.6	Very high	98	Very high	29 Å²	29	32.4 Å²	32.4	16%	0.155	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-129	-166.5	-52.3	-40.2	0	0	0	110.1	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.49Å; H27-D53 IonicContact CE1-OD2 2.7Å; H27-D53 IonicContact CG-OD2 2.81Å; H27-D53 IonicContact ND1-OD1 3.61Å; H27-D53 IonicContact ND1-OD2 3Å; H27-D53 PolarHBondContact ND1-OD2 2.87Å; S28-D53 PolarHBondContact N-OD1 2.87Å; S28-D53 PolarHBondContact O-N 2.82Å; D53-T55 VanDerWaalsContact C-N 3.3Å; D53-T55 PolarHBondContact O-N 2.86Å
54	D	96.6	Very high	98.1	Very high	61 Å²	61	30 Å²	30	33%	0.326	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	11.9	176.9	-58.7	-55.8	0	0	0	114.3	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.85Å; D54-Y233 HydrophobicContact CB-CE2 3.91Å; D54-P234 WeakPolarHBondContact OD2-CB 3.41Å; D54-A235 HydrophobicContact CB-CB 4.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.47Å; D54-A235 PolarHBondContact OD2-N 2.86Å; D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.74Å
55	T	97.1	Very high	98.1	Very high	15 Å²	15	34.7 Å²	34.7	9%	0.092	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	112.5	-178.2	-58.6	0	0	0	0	111.5	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.39Å; Y51-T55 VanDerWaalsContact CD1-C 3.49Å; V52-T55 PolarHBondContact N-O 2.8Å; V52-T55 WeakPolarHBondContact O-CB 3.39Å; V52-T55 PolarHBondContact O-N 3.18Å; D53-T55 VanDerWaalsContact C-N 3.3Å; D53-T55 PolarHBondContact O-N 2.86Å; T55-F57 PolarHBondContact O-N 3.06Å; T55-L203 HydrophobicContact CG2-CD2 4.13Å; T55-Y233 WeakPolarHBondContact OG1-CE2 2.94Å; T55-Y233 PolarHBondContact OG1-OH 3.04Å
56	Q	97.9	Very high	98	Very high	52 Å²	52	34.5 Å²	34.5	24%	0.243	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	130.9	172.4	-166.5	177.4	-8.3	0	0	110.4	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; G50-Q56 WeakPolarHBondContact O-CA 3.44Å; G50-Q56 WeakPolarHBondContact O-CG 3.27Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CB 4.44Å; Y51-Q56 HydrophobicContact CD2-CG 4.28Å; Y51-Q56 HydrophobicContact CE1-CB 3.55Å; Y51-Q56 HydrophobicContact CE1-CG 4.29Å; Y51-Q56 HydrophobicContact CE2-CB 3.99Å; Y51-Q56 HydrophobicContact CE2-CG 3.79Å; Y51-Q56 HydrophobicContact CG-CB 4.45Å; Y51-Q56 PolarHBondContact OH-OE1 3.05Å; Q56-V58 PolarHBondContact NE2-O 2.83Å; Q56-V58 VanDerWaalsContact NE2-O 3.11Å; Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.12Å; Q56-R72 HydrophobicContact CG-CG 4.33Å
57	F	98.3	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-23.7	-179.9	73.5	-83.9	0	0	0	114.5	M29 Y31 G50 Y51 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.28Å; Y31-F57 HydrophobicContact CE1-CZ 4.02Å; Y31-F57 HydrophobicContact CE2-CZ 4.48Å; Y31-F57 AromaticContact CZ-CZ 3.73Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.33Å; G50-F57 WeakPolarHBondContact O-CD1 3.03Å; G50-F57 PolarHBondContact O-N 2.78Å; Y51-F57 VanDerWaalsContact N-CE1 3.32Å; V52-F57 HydrophobicContact CG2-CD1 3.98Å; V52-F57 HydrophobicContact CG2-CE1 3.97Å; T55-F57 PolarHBondContact O-N 3.06Å; F57-R72 PolarHBondContact O-N 2.9Å; F57-A73 HydrophobicContact CB-CB 4.15Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.36Å; F57-W75 HydrophobicContact CB-CZ3 3.96Å; F57-W75 HydrophobicContact CD1-CH2 4.05Å; F57-W75 AromaticContact CD2-CH2 3.86Å; F57-W75 HydrophobicContact CD2-CH2 3.86Å; F57-W75 HydrophobicContact CD2-CZ3 4.14Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.13Å; F57-W75 HydrophobicContact CG-CZ3 4.18Å; F57-I76 HydrophobicContact CD2-CB 4.48Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.04Å; F57-I76 HydrophobicContact CE2-CD1 4.36Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.29Å; F57-Y195 HydrophobicContact CD2-CE2 4.42Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CE2-CE2 3.62Å; F57-Y195 AromaticContact CE2-CZ 3.95Å; F57-Y195 HydrophobicContact CZ-CD2 4.29Å; F57-Y195 AromaticContact CZ-CE2 3.77Å; F57-Y195 HydrophobicContact CZ-CE2 3.77Å
58	V	98.6	Very high	97.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	156.3	177	-71	0	0	0	0	112.7	Y31 V49 G50 Q56 E69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.95Å; V49-V58 WeakPolarHBondContact CA-O 3.32Å; G50-V58 PolarHBondContact N-O 2.88Å; G50-V58 VanDerWaalsContact N-O 3.12Å; G50-V58 PolarHBondContact O-N 3.32Å; Q56-V58 PolarHBondContact NE2-O 2.83Å; Q56-V58 VanDerWaalsContact NE2-O 3.11Å; V58-E69 HydrophobicContact CB-CG 3.96Å; V58-E69 WeakPolarHBondContact CB-OE1 3.43Å; V58-E69 HydrophobicContact CG1-CG 4.01Å; V58-E69 WeakPolarHBondContact CG1-OE1 3.31Å; V58-E69 WeakPolarHBondContact CG2-OE1 3.37Å; V58-E70 WeakPolarHBondContact CA-O 3.39Å; V58-I76 HydrophobicContact CG1-CG1 4.32Å; V58-W84 HydrophobicContact CG1-CH2 4.24Å; V58-W84 HydrophobicContact CG1-CZ3 3.96Å
59	R	98.6	Very high	97.9	Very high	88 Å²	88	41.3 Å²	41.3	33%	0.332	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146	171.2	177.6	169.5	165.7	-169.7	-1.8	111.1	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.59Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.46Å; V49-R59 HydrophobicContact CG1-CB 4.43Å; V49-R59 HydrophobicContact CG1-CG 4.23Å; R59-D61 IonicContact CZ-OD2 2.72Å; R59-D61 IonicContact NH2-OD2 2.98Å; R59-D61 PolarHBondContact NH2-OD2 3.27Å; R59-E70 PolarHBondContact N-O 2.03Å; R59-E70 PolarHBondContact O-N 2.99Å; R59-R72 HydrophobicContact CB-CG 4Å
60	F	98.8	Very high	97.9	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	142.9	165.1	177.9	-84.2	0	0	0	109.5	F46 I47 A48 P67 R68 F91 K92	F46-F60 AromaticContact CD1-CD1 3.78Å; F46-F60 HydrophobicContact CD1-CD1 3.78Å; F46-F60 AromaticContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CE1-CD1 4Å; F46-F60 HydrophobicContact CE1-CE1 4.34Å; I47-F60 WeakPolarHBondContact CA-O 3.29Å; A48-F60 HydrophobicContact CB-CB 4.25Å; A48-F60 PolarHBondContact N-O 3.04Å; A48-F60 PolarHBondContact O-N 3.42Å; F60-P67 HydrophobicContact CE2-CB 3.87Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; F60-R68 VanDerWaalsContact CD2-C 3.5Å; F60-R68 WeakPolarHBondContact CD2-O 3.19Å; F60-F91 HydrophobicContact CB-CB 4.16Å; F60-F91 HydrophobicContact CB-CD1 4.39Å; F60-F91 HydrophobicContact CB-CD2 3.74Å; F60-F91 HydrophobicContact CB-CE2 4.22Å; F60-F91 HydrophobicContact CB-CG 3.85Å; F60-F91 HydrophobicContact CD1-CB 3.78Å; F60-F91 HydrophobicContact CD1-CG 4.34Å; F60-F91 HydrophobicContact CD2-CB 3.52Å; F60-F91 AromaticContact CD2-CD2 3.9Å; F60-F91 HydrophobicContact CD2-CD2 3.9Å; F60-F91 HydrophobicContact CD2-CG 4.01Å; F60-F91 HydrophobicContact CE1-CB 4Å; F60-F91 HydrophobicContact CE2-CB 3.75Å; F60-F91 HydrophobicContact CG-CB 3.55Å; F60-F91 AromaticContact CG-CD2 3.96Å; F60-F91 HydrophobicContact CG-CD2 3.96Å; F60-F91 AromaticContact CG-CG 3.82Å; F60-F91 HydrophobicContact CG-CG 3.82Å; F60-F91 HydrophobicContact CZ-CB 3.98Å; F60-K92 HydrophobicContact CE2-CG 4.34Å; F60-K92 HydrophobicContact CZ-CG 4.16Å
61	D	98.7	Very high	97.9	Very high	16 Å²	16	45.7 Å²	45.7	9%	0.086	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	119.1	177	-161.8	-28.3	0	0	0	109.7	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.62Å; R45-D61 IonicContact CZ-OD2 3.05Å; R45-D61 IonicContact NE-OD1 2.77Å; R45-D61 PolarHBondContact NE-OD1 3Å; R45-D61 IonicContact NE-OD2 3.31Å; R45-D61 IonicContact NH2-OD1 3.57Å; R45-D61 PolarHBondContact NH2-OD1 2.94Å; R45-D61 IonicContact NH2-OD2 3.23Å; R45-D61 PolarHBondContact NH2-OD2 2.98Å; R59-D61 IonicContact CZ-OD2 2.72Å; R59-D61 IonicContact NH2-OD2 2.98Å; R59-D61 PolarHBondContact NH2-OD2 3.27Å; D61-D63 PolarHBondContact O-N 3.35Å; D61-D63 PolarHBondContact OD1-N 3.17Å; D61-A64 HydrophobicContact CB-CB 4.44Å; D61-A64 WeakPolarHBondContact O-CB 3.48Å; D61-A64 PolarHBondContact O-N 3.15Å
62	S	98.3	Very high	97.8	Very high	27 Å²	27	47.4 Å²	47.4	19%	0.189	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-21.4	-178.4	69	0	0	0	0	113.4	F46 A64 P67	F46-S62 PolarHBondContact N-OG 3.02Å; F46-S62 PolarHBondContact O-N 3.21Å; F46-S62 PolarHBondContact O-OG 2.98Å; S62-A64 VanDerWaalsContact C-N 3.35Å; S62-P67 WeakPolarHBondContact O-CG 3.2Å
63	D	97.5	Very high	97.8	Very high	70 Å²	70	47.7 Å²	47.7	37%	0.374	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-2.2	179.4	-78.5	4.8	0	0	0	112.7	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.53Å; R38-D63 IonicContact CZ-OD2 3.52Å; R38-D63 IonicContact NH1-OD1 2.72Å; R38-D63 IonicContact NH1-OD2 2.87Å; R38-D63 PolarHBondContact NH1-OD2 2.66Å; R38-D63 IonicContact NH2-OD1 3.52Å; R38-D63 PolarHBondContact NH2-OD1 2.94Å; R38-D63 IonicContact NH2-OD2 3.64Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.37Å; R45-D63 HydrophobicContact CG-CB 4.38Å; R45-D63 IonicContact NE-OD2 3.67Å; D61-D63 PolarHBondContact O-N 3.35Å; D61-D63 PolarHBondContact OD1-N 3.17Å
64	A	97.3	Very high	97.8	Very high	33 Å²	33	51.3 Å²	51.3	27%	0.273	29%	0.285	S	S	.	.	S	Bend	trans	-62.4	149.7	173.4	0	0	0	0	0	110.9	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.44Å; D61-A64 WeakPolarHBondContact O-CB 3.48Å; D61-A64 PolarHBondContact O-N 3.15Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 2.81Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.34Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.49Å
65	A	97	Very high	97.8	Very high	117 Å²	117	49.2 Å²	49.2	97%	0.967	27%	0.273	S	S	*	.	S	Bend	trans	-59.5	-32.7	179.8	0	0	0	0	0	112.9
66	S	96.5	Very high	97.8	Very high	77 Å²	77	48.5 Å²	48.5	54%	0.538	27%	0.269	S	S	.	.	S	Bend	trans	-132.9	89.6	170.2	-164.6	0	0	0	0	109	A64 R68	A64-S66 PolarHBondContact O-N 2.81Å; S66-R68 PolarHBondContact O-N 2.7Å
67	P	97.4	Very high	97.8	Very high	35 Å²	35	52 Å²	52	23%	0.227	29%	0.285	C	S	.	.			trans	-62.5	112.7	-175.1	-25	35.6	0	0	0	111.8	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.87Å; F60-P67 HydrophobicContact CZ-CB 3.67Å; S62-P67 WeakPolarHBondContact O-CG 3.2Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.34Å; A64-P67 VanDerWaalsContact O-CG 3.31Å; A64-P67 WeakPolarHBondContact O-CG 3.49Å; P67-K92 WeakPolarHBondContact O-CE 3.37Å
68	R	98.2	Very high	97.7	Very high	138 Å²	138	57.6 Å²	57.6	52%	0.521	31%	0.311	S	S	.	.			trans	-142.3	157	176.6	-65.7	-168.4	173.2	-165.2	-6.8	109.9	F60 S66 T88	F60-R68 VanDerWaalsContact CD2-C 3.5Å; F60-R68 WeakPolarHBondContact CD2-O 3.19Å; S66-R68 PolarHBondContact O-N 2.7Å; R68-T88 HydrophobicContact CB-CG2 4.31Å; R68-T88 HydrophobicContact CG-CG2 4.14Å
69	E	98.4	Very high	97.6	Very high	9 Å²	9	58.1 Å²	58.1	4%	0.042	31%	0.313	C	S	.	.			trans	-67.6	130.3	165.8	-172.1	-178.1	-137.9	0	0	108.4	V58 Y83 W84 N87 T88 F91	V58-E69 HydrophobicContact CB-CG 3.96Å; V58-E69 WeakPolarHBondContact CB-OE1 3.43Å; V58-E69 HydrophobicContact CG1-CG 4.01Å; V58-E69 WeakPolarHBondContact CG1-OE1 3.31Å; V58-E69 WeakPolarHBondContact CG2-OE1 3.37Å; E69-Y83 WeakPolarHBondContact OE2-CE1 3.23Å; E69-W84 HydrophobicContact CB-CE3 4.16Å; E69-W84 HydrophobicContact CB-CZ3 4.48Å; E69-W84 HydrophobicContact CG-CE3 4.03Å; E69-W84 HydrophobicContact CG-CZ3 3.88Å; E69-N87 WeakPolarHBondContact OE2-CB 3.17Å; E69-N87 PolarHBondContact OE2-ND2 2.91Å; E69-T88 PolarHBondContact N-OG1 3.2Å; E69-F91 HydrophobicContact CB-CD2 4.01Å; E69-F91 HydrophobicContact CB-CE2 3.86Å; E69-F91 HydrophobicContact CG-CD2 4.32Å; E69-F91 HydrophobicContact CG-CE2 3.66Å; E69-F91 WeakPolarHBondContact OE1-CE2 3.4Å
70	E	98.4	Very high	97.6	Very high	75 Å²	75	55.7 Å²	55.7	35%	0.35	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.2	-178.4	-65.2	178.5	178.4	0	0	110.4	V58 R59 R72	V58-E70 WeakPolarHBondContact CA-O 3.39Å; R59-E70 PolarHBondContact N-O 2.03Å; R59-E70 PolarHBondContact O-N 2.99Å; E70-R72 IonicContact OE2-CZ 3.15Å; E70-R72 IonicContact OE2-NH1 3.88Å; E70-R72 PolarHBondContact OE2-NH1 3.33Å; E70-R72 IonicContact OE2-NH2 3.59Å; E70-R72 PolarHBondContact OE2-NH2 3.09Å
71	P	98.3	Very high	97.5	Very high	45 Å²	45	60.2 Å²	60.2	29%	0.292	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	147.1	173.4	28.3	-34.1	0	0	0	111.2	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.71Å; P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.68Å; P71-W84 HydrophobicContact CB-CZ2 4.15Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.28Å
72	R	97.8	Very high	97.5	Very high	106 Å²	106	67.5 Å²	67.5	40%	0.4	38%	0.379	S	S	.	.			trans	-129.6	-1.1	174	-62.5	-63.7	179.8	-124.2	1.3	113.5	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.12Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; F57-R72 PolarHBondContact O-N 2.9Å; R59-R72 HydrophobicContact CB-CG 4Å; E70-R72 IonicContact OE2-CZ 3.15Å; E70-R72 IonicContact OE2-NH1 3.88Å; E70-R72 PolarHBondContact OE2-NH1 3.33Å; E70-R72 IonicContact OE2-NH2 3.59Å; E70-R72 PolarHBondContact OE2-NH2 3.09Å
73	A	96.6	Very high	97.5	Very high	5 Å²	5	66.7 Å²	66.7	4%	0.041	37%	0.372	C	S	.	.	S	Bend	trans	-138	143.5	173.5	0	0	0	0	0	110.8	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.15Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.17Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 2.91Å; A73-I76 WeakPolarHBondContact O-CG2 3.41Å; A73-I76 PolarHBondContact O-N 2.75Å
74	P	97	Very high	97.5	Very high	105 Å²	105	65.2 Å²	65.2	68%	0.682	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-58.6	-36.9	-177.4	-27	35	0	0	0	114	I76 E77	P74-I76 PolarHBondContact O-N 2.91Å; P74-E77 WeakPolarHBondContact O-CB 3.23Å; P74-E77 PolarHBondContact O-N 2.67Å; P74-E77 VanDerWaalsContact O-N 3.15Å
75	W	96.8	Very high	97.6	Very high	18 Å²	18	68.1 Å²	68.1	7%	0.068	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-70.2	-14.9	-176.3	53.6	-105	0	0	0	114.2	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.43Å; V52-W75 HydrophobicContact CG2-CH2 3.92Å; V52-W75 HydrophobicContact CG2-CZ2 4.49Å; F57-W75 HydrophobicContact CB-CH2 3.13Å; F57-W75 HydrophobicContact CB-CZ2 3.36Å; F57-W75 HydrophobicContact CB-CZ3 3.96Å; F57-W75 HydrophobicContact CD1-CH2 4.05Å; F57-W75 AromaticContact CD2-CH2 3.86Å; F57-W75 HydrophobicContact CD2-CH2 3.86Å; F57-W75 HydrophobicContact CD2-CZ3 4.14Å; F57-W75 AromaticContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CH2 3.45Å; F57-W75 VanDerWaalsContact CG-CH2 3.45Å; F57-W75 HydrophobicContact CG-CZ2 4.13Å; F57-W75 HydrophobicContact CG-CZ3 4.18Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.17Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 2.91Å; W75-Q78 WeakPolarHBondContact O-CG 3.24Å; W75-Q78 PolarHBondContact O-NE2 3.06Å; W75-Y195 HydrophobicContact CE3-CD1 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.24Å; W75-Y195 AromaticContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD2 4.35Å; W75-Y195 AromaticContact CZ3-CG 3.69Å; W75-Y195 HydrophobicContact CZ3-CG 3.69Å; W75-N198 WeakPolarHBondContact CB-O 3.37Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.28Å; W75-L203 HydrophobicContact CZ2-CD1 3.82Å; W75-L203 HydrophobicContact CZ2-CD2 4.09Å; W75-L203 HydrophobicContact CZ2-CG 4.35Å
76	I	98	Very high	97.6	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-88.5	-19.8	174	-163.5	71.1	0	0	0	111.7	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.48Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4.04Å; F57-I76 HydrophobicContact CE2-CD1 4.36Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.29Å; V58-I76 HydrophobicContact CG1-CG1 4.32Å; P71-I76 HydrophobicContact CB-CG2 3.71Å; A73-I76 WeakPolarHBondContact O-CG2 3.41Å; A73-I76 PolarHBondContact O-N 2.75Å; P74-I76 PolarHBondContact O-N 2.91Å; I76-Q78 PolarHBondContact O-N 3.32Å; I76-Q78 VanDerWaalsContact O-N 3.11Å; I76-E79 HydrophobicContact CD1-CG 3.69Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.23Å; I76-E79 WeakPolarHBondContact O-CG 3.43Å; I76-E79 PolarHBondContact O-N 3.21Å; I76-Y83 HydrophobicContact CD1-CE1 4.35Å; I76-Y83 HydrophobicContact CG1-CE1 4.35Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.8Å; I76-W84 HydrophobicContact CG1-CZ2 4.17Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 WeakPolarHBondContact O-CZ2 3.44Å; I76-Y195 HydrophobicContact CD1-CD1 3.84Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å
77	E	97	Very high	97.7	Very high	124 Å²	124	65.7 Å²	65.7	58%	0.579	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.2	-176.6	-64.5	-179.9	-172.9	0	0	113.3	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.79Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P74-E77 WeakPolarHBondContact O-CB 3.23Å; P74-E77 PolarHBondContact O-N 2.67Å; P74-E77 VanDerWaalsContact O-N 3.15Å; E77-E79 PolarHBondContact O-N 3.24Å
78	Q	96	Very high	97.7	Very high	118 Å²	118	64.5 Å²	64.5	55%	0.551	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-13.2	175.4	71	-173.1	-40.7	0	0	114	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.24Å; W75-Q78 PolarHBondContact O-NE2 3.06Å; I76-Q78 PolarHBondContact O-N 3.32Å; I76-Q78 VanDerWaalsContact O-N 3.11Å; Q78-N198 PolarHBondContact NE2-ND2 3.31Å
79	E	97.8	Very high	97.8	Very high	13 Å²	13	63 Å²	63	6%	0.061	32%	0.318	C	S	.	.	S	Bend	trans	-65.1	137.6	176.7	-66.3	-60.3	160.1	0	0	111.1	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.69Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.23Å; I76-E79 WeakPolarHBondContact O-CG 3.43Å; I76-E79 PolarHBondContact O-N 3.21Å; E77-E79 PolarHBondContact O-N 3.24Å; E79-Y83 HydrophobicContact CB-CD1 3.72Å; E79-Y83 HydrophobicContact CB-CD2 4.46Å; E79-Y83 HydrophobicContact CB-CE1 4.36Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4.18Å; E79-Y83 HydrophobicContact CG-CD2 4.37Å; E79-Y83 HydrophobicContact CG-CE1 4.43Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; E79-W84 HydrophobicContact CB-CZ2 4.4Å; E79-W84 PolarHBondContact O-NE1 2.93Å; E79-R194 IonicContact OE1-CZ 3.35Å; E79-R194 IonicContact OE1-NE 2.93Å; E79-R194 PolarHBondContact OE1-NE 3.08Å; E79-R194 IonicContact OE1-NH2 2.76Å; E79-R194 PolarHBondContact OE1-NH2 2.97Å; E79-R194 IonicContact OE2-CZ 3.7Å; E79-R194 IonicContact OE2-NE 2.92Å; E79-R194 IonicContact OE2-NH2 3.38Å; E79-R194 PolarHBondContact OE2-NH2 3.09Å; E79-N198 PolarHBondContact OE1-ND2 2.98Å
80	G	97.1	Very high	97.7	Very high	36 Å²	36	66.1 Å²	66.1	37%	0.371	33%	0.334	S	S	.	.			trans	-70.8	167.7	-175.5	0	0	0	0	0	113.8	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.81Å; G80-E82 VanDerWaalsContact O-N 3.15Å; G80-Y83 WeakPolarHBondContact O-CB 3.41Å; G80-Y83 PolarHBondContact O-N 2.94Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å
81	P	97.7	Very high	97.7	Very high	97 Å²	97	62.8 Å²	62.8	63%	0.63	32%	0.318	S	S	*	.	H	α-helix	trans	-57.2	-33.2	-177.9	22.6	-33.6	0	0	0	113.5	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.92Å; P81-W84 PolarHBondContact O-N 3.5Å; P81-D85 WeakPolarHBondContact O-CB 3.21Å; P81-D85 PolarHBondContact O-N 3.25Å
82	E	98	Very high	97.7	Very high	170 Å²	170	64.8 Å²	64.8	79%	0.794	32%	0.322	S	S	*	.	H	α-helix	trans	-60.4	-35.5	177.7	-63.4	-178.7	-179.8	0	0	113.1	G80 R86	G80-E82 PolarHBondContact O-N 2.81Å; G80-E82 VanDerWaalsContact O-N 3.15Å; E82-R86 WeakPolarHBondContact O-CB 3.41Å; E82-R86 PolarHBondContact O-N 3.45Å
83	Y	98.1	Very high	97.7	Very high	10 Å²	10	63.2 Å²	63.2	4%	0.039	33%	0.325	C	S	.	.	H	α-helix	trans	-63.4	-52.7	175.7	172	-90.1	0	0	0	110.3	E69 I76 E79 G80 P81 R86 N87 W191 Y195	E69-Y83 WeakPolarHBondContact OE2-CE1 3.23Å; I76-Y83 HydrophobicContact CD1-CE1 4.35Å; I76-Y83 HydrophobicContact CG1-CE1 4.35Å; E79-Y83 HydrophobicContact CB-CD1 3.72Å; E79-Y83 HydrophobicContact CB-CD2 4.46Å; E79-Y83 HydrophobicContact CB-CE1 4.36Å; E79-Y83 HydrophobicContact CB-CG 3.8Å; E79-Y83 HydrophobicContact CG-CD1 4.18Å; E79-Y83 HydrophobicContact CG-CD2 4.37Å; E79-Y83 HydrophobicContact CG-CE1 4.43Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.41Å; G80-Y83 PolarHBondContact O-N 2.94Å; P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 2.92Å; Y83-R86 PolarHBondContact O-N 3Å; Y83-N87 VanDerWaalsContact CE1-ND2 3.28Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.44Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.49Å; Y83-N87 WeakPolarHBondContact O-CB 3.38Å; Y83-N87 PolarHBondContact O-N 3.04Å; Y83-N87 PolarHBondContact O-ND2 2.91Å; Y83-N87 PolarHBondContact OH-ND2 3.22Å; Y83-W191 AromaticContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CZ2 4.25Å; Y83-W191 AromaticContact CD2-CZ3 3.76Å; Y83-W191 HydrophobicContact CD2-CZ3 3.76Å; Y83-W191 HydrophobicContact CE2-CE3 4.22Å; Y83-W191 AromaticContact CE2-CH2 3.89Å; Y83-W191 HydrophobicContact CE2-CH2 3.89Å; Y83-W191 AromaticContact CE2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CZ3 3.72Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.23Å; Y83-Y195 PolarHBondContact OH-OH 2.87Å
84	W	98.4	Very high	97.8	Very high	39 Å²	39	64.5 Å²	64.5	15%	0.148	33%	0.331	C	S	.	.	H	α-helix	trans	-64.3	-42.6	-177.4	-61.4	111.7	0	0	0	112.5	V58 E69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.24Å; V58-W84 HydrophobicContact CG1-CZ3 3.96Å; E69-W84 HydrophobicContact CB-CE3 4.16Å; E69-W84 HydrophobicContact CB-CZ3 4.48Å; E69-W84 HydrophobicContact CG-CE3 4.03Å; E69-W84 HydrophobicContact CG-CZ3 3.88Å; P71-W84 HydrophobicContact CB-CH2 3.68Å; P71-W84 HydrophobicContact CB-CZ2 4.15Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.28Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.8Å; I76-W84 HydrophobicContact CG1-CZ2 4.17Å; I76-W84 HydrophobicContact CG2-CH2 4.01Å; I76-W84 WeakPolarHBondContact O-CZ2 3.44Å; E79-W84 HydrophobicContact CB-CZ2 4.4Å; E79-W84 PolarHBondContact O-NE1 2.93Å; G80-W84 VanDerWaalsContact O-CD1 3.25Å; P81-W84 PolarHBondContact O-N 3.5Å; W84-T88 WeakPolarHBondContact O-CB 3.35Å; W84-T88 PolarHBondContact O-N 3Å; W84-T88 PolarHBondContact O-OG1 3.03Å
85	D	98.3	Very high	97.8	Very high	94 Å²	94	60.2 Å²	60.2	50%	0.503	30%	0.303	S	S	.	.	H	α-helix	trans	-67.3	-44.9	179.2	-76	-22.2	0	0	0	111.2	P81 Q89	P81-D85 WeakPolarHBondContact O-CB 3.21Å; P81-D85 PolarHBondContact O-N 3.25Å; D85-Q89 PolarHBondContact O-N 2.74Å
86	R	98.1	Very high	97.8	Very high	126 Å²	126	64.3 Å²	64.3	48%	0.475	32%	0.323	S	S	.	.	H	α-helix	trans	-60.4	-50.9	177.7	-176.7	-176.3	70.8	-172.7	-0.3	111.4	E82 Y83 Q89 I90 W191	E82-R86 WeakPolarHBondContact O-CB 3.41Å; E82-R86 PolarHBondContact O-N 3.45Å; Y83-R86 PolarHBondContact O-N 3Å; R86-Q89 PolarHBondContact O-N 3.18Å; R86-I90 HydrophobicContact CG-CD1 4.26Å; R86-I90 WeakPolarHBondContact O-CG1 3.31Å; R86-I90 PolarHBondContact O-N 2.96Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.31Å
87	N	98.1	Very high	97.8	Very high	17 Å²	17	67.2 Å²	67.2	9%	0.091	34%	0.341	C	S	.	.	H	α-helix	trans	-70.7	-36.9	-177.3	-69.2	-13.7	0	0	0	112.2	E69 Y83 Q89 I90 F91	E69-N87 WeakPolarHBondContact OE2-CB 3.17Å; E69-N87 PolarHBondContact OE2-ND2 2.91Å; Y83-N87 VanDerWaalsContact CE1-ND2 3.28Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.44Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.49Å; Y83-N87 WeakPolarHBondContact O-CB 3.38Å; Y83-N87 PolarHBondContact O-N 3.04Å; Y83-N87 PolarHBondContact O-ND2 2.91Å; Y83-N87 PolarHBondContact OH-ND2 3.22Å; N87-Q89 PolarHBondContact O-N 2.71Å; N87-I90 WeakPolarHBondContact O-CB 3.34Å; N87-I90 PolarHBondContact O-N 2.85Å; N87-I90 VanDerWaalsContact O-N 3.12Å; N87-F91 HydrophobicContact CB-CE2 4.28Å; N87-F91 WeakPolarHBondContact O-CD2 3.46Å; N87-F91 PolarHBondContact O-N 3Å
88	T	98.6	Very high	97.8	Very high	9 Å²	9	62.1 Å²	62.1	6%	0.055	32%	0.316	C	S	.	.	H	α-helix	trans	-54.9	-44	170.4	-69.9	0	0	0	0	110.8	R68 E69 W84 F91 K92	R68-T88 HydrophobicContact CB-CG2 4.31Å; R68-T88 HydrophobicContact CG-CG2 4.14Å; E69-T88 PolarHBondContact N-OG1 3.2Å; W84-T88 WeakPolarHBondContact O-CB 3.35Å; W84-T88 PolarHBondContact O-N 3Å; W84-T88 PolarHBondContact O-OG1 3.03Å; T88-F91 PolarHBondContact O-N 2.83Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.34Å; T88-K92 PolarHBondContact O-N 3.01Å
89	Q	98.4	Very high	97.8	Very high	108 Å²	108	58.7 Å²	58.7	51%	0.505	30%	0.298	S	S	.	.	H	α-helix	trans	-67	-39.3	177.7	-170.5	58.6	23.5	0	0	112.1	D85 R86 N87 F91 K92 T93	D85-Q89 PolarHBondContact O-N 2.74Å; R86-Q89 PolarHBondContact O-N 3.18Å; N87-Q89 PolarHBondContact O-N 2.71Å; Q89-F91 PolarHBondContact O-N 3.42Å; Q89-K92 PolarHBondContact O-N 2.76Å; Q89-T93 PolarHBondContact O-N 3.32Å; Q89-T93 PolarHBondContact O-OG1 2.83Å
90	I	97.9	Very high	97.8	Very high	73 Å²	73	61.4 Å²	61.4	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-57.2	-48.1	172.9	-69.3	167.2	0	0	0	110.7	R86 N87 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 4.26Å; R86-I90 WeakPolarHBondContact O-CG1 3.31Å; R86-I90 PolarHBondContact O-N 2.96Å; N87-I90 WeakPolarHBondContact O-CB 3.34Å; N87-I90 PolarHBondContact O-N 2.85Å; N87-I90 VanDerWaalsContact O-N 3.12Å; I90-K92 PolarHBondContact O-N 3.19Å; I90-T93 PolarHBondContact O-N 2.92Å; I90-N94 WeakPolarHBondContact O-CB 3.46Å; I90-N94 PolarHBondContact O-N 2.93Å
91	F	98.3	Very high	97.8	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-66.7	-35.4	178.9	-66.4	-53.8	0	0	0	113.5	Y33 F46 A48 F60 E69 N87 T88 Q89 N94 T95	Y33-F91 HydrophobicContact CE1-CD1 4.34Å; Y33-F91 AromaticContact CE1-CE1 3.62Å; Y33-F91 HydrophobicContact CE1-CE1 3.62Å; Y33-F91 AromaticContact CZ-CE1 3.63Å; Y33-F91 VanDerWaalsContact OH-CE1 3.29Å; Y33-F91 WeakPolarHBondContact OH-CE1 3.25Å; F46-F91 HydrophobicContact CE1-CB 4.34Å; F46-F91 HydrophobicContact CE1-CD1 4.15Å; A48-F91 HydrophobicContact CB-CD1 3.65Å; A48-F91 HydrophobicContact CB-CE1 3.46Å; A48-F91 VanDerWaalsContact CB-CE1 3.46Å; A48-F91 HydrophobicContact CB-CZ 4.24Å; F60-F91 HydrophobicContact CB-CB 4.16Å; F60-F91 HydrophobicContact CB-CD1 4.39Å; F60-F91 HydrophobicContact CB-CD2 3.74Å; F60-F91 HydrophobicContact CB-CE2 4.22Å; F60-F91 HydrophobicContact CB-CG 3.85Å; F60-F91 HydrophobicContact CD1-CB 3.78Å; F60-F91 HydrophobicContact CD1-CG 4.34Å; F60-F91 HydrophobicContact CD2-CB 3.52Å; F60-F91 AromaticContact CD2-CD2 3.9Å; F60-F91 HydrophobicContact CD2-CD2 3.9Å; F60-F91 HydrophobicContact CD2-CG 4.01Å; F60-F91 HydrophobicContact CE1-CB 4Å; F60-F91 HydrophobicContact CE2-CB 3.75Å; F60-F91 HydrophobicContact CG-CB 3.55Å; F60-F91 AromaticContact CG-CD2 3.96Å; F60-F91 HydrophobicContact CG-CD2 3.96Å; F60-F91 AromaticContact CG-CG 3.82Å; F60-F91 HydrophobicContact CG-CG 3.82Å; F60-F91 HydrophobicContact CZ-CB 3.98Å; E69-F91 HydrophobicContact CB-CD2 4.01Å; E69-F91 HydrophobicContact CB-CE2 3.86Å; E69-F91 HydrophobicContact CG-CD2 4.32Å; E69-F91 HydrophobicContact CG-CE2 3.66Å; E69-F91 WeakPolarHBondContact OE1-CE2 3.4Å; N87-F91 HydrophobicContact CB-CE2 4.28Å; N87-F91 WeakPolarHBondContact O-CD2 3.46Å; N87-F91 PolarHBondContact O-N 3Å; T88-F91 PolarHBondContact O-N 2.83Å; Q89-F91 PolarHBondContact O-N 3.42Å; F91-N94 PolarHBondContact O-N 2.81Å; F91-T95 PolarHBondContact O-N 2.76Å; F91-T95 PolarHBondContact O-OG1 3.15Å
92	K	98.1	Very high	97.8	Very high	86 Å²	86	57.1 Å²	57.1	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-64.1	-42.2	172.9	-75.4	177.3	178.2	177.4	0	111.8	F60 P67 T88 Q89 I90 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.34Å; F60-K92 HydrophobicContact CZ-CG 4.16Å; P67-K92 WeakPolarHBondContact O-CE 3.37Å; T88-K92 HydrophobicContact CG2-CD 4.18Å; T88-K92 WeakPolarHBondContact O-CG 3.34Å; T88-K92 PolarHBondContact O-N 3.01Å; Q89-K92 PolarHBondContact O-N 2.76Å; I90-K92 PolarHBondContact O-N 3.19Å; K92-T95 WeakPolarHBondContact O-CB 3.47Å; K92-T95 PolarHBondContact O-N 3.18Å; K92-Q96 PolarHBondContact O-N 3.36Å
93	T	98.1	Very high	97.7	Very high	73 Å²	73	54.5 Å²	54.5	45%	0.448	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-45.4	173.1	-66.5	0	0	0	0	111	Q89 I90 T95 Q96 T97	Q89-T93 PolarHBondContact O-N 3.32Å; Q89-T93 PolarHBondContact O-OG1 2.83Å; I90-T93 PolarHBondContact O-N 2.92Å; T93-T95 VanDerWaalsContact C-N 3.29Å; T93-T95 PolarHBondContact O-N 3Å; T93-Q96 WeakPolarHBondContact O-CB 3.36Å; T93-Q96 PolarHBondContact O-N 3.06Å; T93-T97 PolarHBondContact O-N 3.41Å; T93-T97 PolarHBondContact O-OG1 3.26Å
94	N	97.5	Very high	97.6	Very high	33 Å²	33	55.8 Å²	55.8	18%	0.176	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-35.7	177	-74.5	-20.1	0	0	0	112.5	Y33 F46 I90 F91 Q96 T97 Y98	Y33-N94 WeakPolarHBondContact CE2-ND2 3.18Å; F46-N94 HydrophobicContact CE1-CB 4.35Å; F46-N94 HydrophobicContact CE2-CB 4.2Å; F46-N94 HydrophobicContact CZ-CB 3.78Å; I90-N94 WeakPolarHBondContact O-CB 3.46Å; I90-N94 PolarHBondContact O-N 2.93Å; F91-N94 PolarHBondContact O-N 2.81Å; N94-Q96 PolarHBondContact O-N 3.42Å; N94-T97 PolarHBondContact O-N 2.93Å; N94-Y98 HydrophobicContact CB-CD2 4.31Å; N94-Y98 HydrophobicContact CB-CE2 4.33Å; N94-Y98 WeakPolarHBondContact O-CB 3.39Å; N94-Y98 WeakPolarHBondContact O-CD2 3.32Å; N94-Y98 PolarHBondContact O-N 3.44Å
95	T	97.6	Very high	97.5	Very high	15 Å²	15	53.9 Å²	53.9	9%	0.092	26%	0.257	C	S	.	.	H	α-helix	trans	-56.3	-38.9	174.1	-59.6	0	0	0	0	111.5	F46 F91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.94Å; F46-T95 VanDerWaalsContact CD1-OG1 3.27Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.49Å; F91-T95 PolarHBondContact O-N 2.76Å; F91-T95 PolarHBondContact O-OG1 3.15Å; K92-T95 WeakPolarHBondContact O-CB 3.47Å; K92-T95 PolarHBondContact O-N 3.18Å; T93-T95 VanDerWaalsContact C-N 3.29Å; T93-T95 PolarHBondContact O-N 3Å; T95-R99 PolarHBondContact O-N 2.95Å
96	Q	97.3	Very high	97.4	Very high	103 Å²	103	50.8 Å²	50.8	48%	0.481	24%	0.24	S	C	.	.	H	α-helix	trans	-75	-43.4	175.8	-58.2	-54.2	-41.2	0	0	112.1	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 3.36Å; T93-Q96 WeakPolarHBondContact O-CB 3.36Å; T93-Q96 PolarHBondContact O-N 3.06Å; N94-Q96 PolarHBondContact O-N 3.42Å; Q96-Y98 VanDerWaalsContact C-N 3.33Å; Q96-Y98 PolarHBondContact O-N 3.44Å; Q96-R99 WeakPolarHBondContact O-CB 3.34Å; Q96-R99 PolarHBondContact O-N 3.38Å; Q96-E100 PolarHBondContact O-N 2.92Å; Q96-E100 VanDerWaalsContact O-N 3.13Å
97	T	97.1	Very high	97.3	Very high	62 Å²	62	51.6 Å²	51.6	38%	0.38	24%	0.243	S	C	.	.	H	α-helix	trans	-58.2	-45.2	177.1	-58.7	0	0	0	0	111.7	T93 N94 R99 E100 N101	T93-T97 PolarHBondContact O-N 3.41Å; T93-T97 PolarHBondContact O-OG1 3.26Å; N94-T97 PolarHBondContact O-N 2.93Å; T97-R99 VanDerWaalsContact C-N 3.33Å; T97-R99 PolarHBondContact O-N 3.44Å; T97-E100 PolarHBondContact O-N 3.01Å; T97-N101 VanDerWaalsContact O-CG 3.25Å; T97-N101 PolarHBondContact O-N 3.11Å; T97-N101 PolarHBondContact O-OD1 3.21Å
98	Y	97.3	Very high	97.3	Very high	17 Å²	17	53.2 Å²	53.2	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-70.5	-31.3	-177.9	-81.8	-119.6	0	0	0	112.1	Y33 A35 F46 N94 Q96 E100 N101 L102 W119 T121	Y33-Y98 HydrophobicContact CD2-CE2 4.19Å; Y33-Y98 AromaticContact CD2-CZ 3.85Å; Y33-Y98 WeakPolarHBondContact CD2-OH 3.38Å; A35-Y98 HydrophobicContact CB-CD1 3.75Å; A35-Y98 HydrophobicContact CB-CG 4.15Å; F46-Y98 HydrophobicContact CD2-CD1 4.16Å; F46-Y98 HydrophobicContact CD2-CD2 4.44Å; F46-Y98 AromaticContact CD2-CG 3.98Å; F46-Y98 HydrophobicContact CD2-CG 3.98Å; F46-Y98 AromaticContact CE2-CD1 3.94Å; F46-Y98 HydrophobicContact CE2-CD1 3.94Å; F46-Y98 AromaticContact CE2-CD2 3.91Å; F46-Y98 HydrophobicContact CE2-CD2 3.91Å; F46-Y98 HydrophobicContact CE2-CE1 4.18Å; F46-Y98 HydrophobicContact CE2-CE2 4.14Å; F46-Y98 AromaticContact CE2-CG 3.81Å; F46-Y98 HydrophobicContact CE2-CG 3.81Å; N94-Y98 HydrophobicContact CB-CD2 4.31Å; N94-Y98 HydrophobicContact CB-CE2 4.33Å; N94-Y98 WeakPolarHBondContact O-CB 3.39Å; N94-Y98 WeakPolarHBondContact O-CD2 3.32Å; N94-Y98 PolarHBondContact O-N 3.44Å; Q96-Y98 VanDerWaalsContact C-N 3.33Å; Q96-Y98 PolarHBondContact O-N 3.44Å; Y98-E100 VanDerWaalsContact C-N 3.35Å; Y98-N101 PolarHBondContact O-N 2.72Å; Y98-L102 WeakPolarHBondContact O-CG 3.47Å; Y98-L102 PolarHBondContact O-N 3.34Å; Y98-W119 AromaticContact CD1-CD1 3.45Å; Y98-W119 VanDerWaalsContact CD1-CD1 3.45Å; Y98-W119 HydrophobicContact CD1-CG 4.27Å; Y98-W119 AromaticContact CE1-CD1 3.42Å; Y98-W119 VanDerWaalsContact CE1-CD1 3.42Å; Y98-T121 WeakPolarHBondContact CE1-OG1 3.38Å; Y98-T121 WeakPolarHBondContact OH-CB 3.23Å; Y98-T121 PolarHBondContact OH-OG1 2.83Å
99	R	96.9	Very high	97.2	Very high	45 Å²	45	56 Å²	56	17%	0.17	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-44.3	170.2	-179.9	-171.2	-56.3	-171.2	-4.1	111.4	E43 P44 T95 Q96 T97 R103	E43-R99 IonicContact OE1-CZ 3.69Å; E43-R99 IonicContact OE1-NH1 3.58Å; E43-R99 PolarHBondContact OE1-NH1 3.15Å; E43-R99 WeakPolarHBondContact OE2-CD 3.42Å; E43-R99 IonicContact OE2-CZ 3.74Å; E43-R99 IonicContact OE2-NE 2.82Å; E43-R99 PolarHBondContact OE2-NE 2.78Å; E43-R99 IonicContact OE2-NH1 3.56Å; E43-R99 PolarHBondContact OE2-NH1 3.3Å; E43-R99 IonicContact OE2-NH2 2.99Å; P44-R99 HydrophobicContact CG-CB 4.48Å; P44-R99 HydrophobicContact CG-CG 4.15Å; T95-R99 PolarHBondContact O-N 2.95Å; Q96-R99 WeakPolarHBondContact O-CB 3.34Å; Q96-R99 PolarHBondContact O-N 3.38Å; T97-R99 VanDerWaalsContact C-N 3.33Å; T97-R99 PolarHBondContact O-N 3.44Å; R99-R103 WeakPolarHBondContact O-CG 3.44Å; R99-R103 PolarHBondContact O-N 3.28Å
100	E	96.7	Very high	97.2	Very high	70 Å²	70	58 Å²	58	33%	0.327	27%	0.272	S	S	.	.	H	α-helix	trans	-70.4	-37.7	176.5	-172	55.8	-150.5	0	0	111.8	Q96 T97 Y98 L102 R103 I104 R107	Q96-E100 PolarHBondContact O-N 2.92Å; Q96-E100 VanDerWaalsContact O-N 3.13Å; T97-E100 PolarHBondContact O-N 3.01Å; Y98-E100 VanDerWaalsContact C-N 3.35Å; E100-L102 VanDerWaalsContact C-N 3.32Å; E100-L102 PolarHBondContact O-N 3.14Å; E100-R103 WeakPolarHBondContact O-CB 3.47Å; E100-R103 PolarHBondContact O-N 3.08Å; E100-R103 VanDerWaalsContact O-N 3.09Å; E100-R103 WeakPolarHBondContact OE2-CD 3.48Å; E100-R103 IonicContact OE2-NH1 3.51Å; E100-I104 HydrophobicContact CG-CD1 3.92Å; E100-I104 HydrophobicContact CG-CG1 4.33Å; E100-I104 WeakPolarHBondContact O-CG1 3.4Å; E100-I104 PolarHBondContact O-N 3.49Å; E100-R107 IonicContact OE1-NH2 3.11Å; E100-R107 PolarHBondContact OE1-NH2 3.2Å; E100-R107 VanDerWaalsContact OE1-NH2 3.15Å
101	N	96.6	Very high	97.1	Very high	38 Å²	38	57.5 Å²	57.5	20%	0.203	27%	0.269	C	S	.	.	H	α-helix	trans	-57.4	-44.7	174.3	-68.8	-12.6	0	0	0	111.7	T97 Y98 R103 I104 A105 W119	T97-N101 VanDerWaalsContact O-CG 3.25Å; T97-N101 PolarHBondContact O-N 3.11Å; T97-N101 PolarHBondContact O-OD1 3.21Å; Y98-N101 PolarHBondContact O-N 2.72Å; N101-R103 VanDerWaalsContact C-N 3.33Å; N101-R103 PolarHBondContact O-N 3.22Å; N101-I104 PolarHBondContact O-N 3.02Å; N101-A105 WeakPolarHBondContact O-CB 3.41Å; N101-A105 PolarHBondContact O-N 3.11Å; N101-W119 HydrophobicContact CB-CD2 3.99Å; N101-W119 HydrophobicContact CB-CE3 4.34Å; N101-W119 HydrophobicContact CB-CG 4.43Å; N101-W119 HydrophobicContact CB-CH2 4.48Å; N101-W119 HydrophobicContact CB-CZ2 4.12Å
102	L	97.8	Very high	96.9	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-42.1	174.8	-75.1	165	0	0	0	112	A35 P44 Y98 E100 A105 L106 H117 W119 Y142	A35-L102 HydrophobicContact CB-CD1 3.97Å; P44-L102 HydrophobicContact CB-CD1 3.68Å; P44-L102 HydrophobicContact CG-CD1 3.86Å; Y98-L102 WeakPolarHBondContact O-CG 3.47Å; Y98-L102 PolarHBondContact O-N 3.34Å; E100-L102 VanDerWaalsContact C-N 3.32Å; E100-L102 PolarHBondContact O-N 3.14Å; L102-A105 PolarHBondContact O-N 2.75Å; L102-L106 WeakPolarHBondContact O-CG 3.27Å; L102-L106 PolarHBondContact O-N 2.64Å; L102-H117 HydrophobicContact CD2-CB 4.13Å; L102-W119 HydrophobicContact CD2-CB 3.78Å; L102-W119 HydrophobicContact CG-CB 4.08Å; L102-Y142 HydrophobicContact CD2-CE2 4.16Å
103	R	96.2	Very high	96.6	Very high	115 Å²	115	65 Å²	65	43%	0.434	31%	0.314	S	S	.	.	H	α-helix	trans	-67.1	-38.9	176.6	-68.6	173	-179.1	164.5	-1.4	112.7	R99 E100 N101 R107	R99-R103 WeakPolarHBondContact O-CG 3.44Å; R99-R103 PolarHBondContact O-N 3.28Å; E100-R103 WeakPolarHBondContact O-CB 3.47Å; E100-R103 PolarHBondContact O-N 3.08Å; E100-R103 VanDerWaalsContact O-N 3.09Å; E100-R103 WeakPolarHBondContact OE2-CD 3.48Å; E100-R103 IonicContact OE2-NH1 3.51Å; N101-R103 VanDerWaalsContact C-N 3.33Å; N101-R103 PolarHBondContact O-N 3.22Å; R103-R107 PolarHBondContact O-N 3.4Å
104	I	96.1	Very high	96.3	Very high	37 Å²	37	65.5 Å²	65.5	19%	0.19	33%	0.326	C	S	.	.	H	α-helix	trans	-65.2	-46	175.8	-71.2	167.2	0	0	0	110.1	E100 N101 L106 R107 Y108	E100-I104 HydrophobicContact CG-CD1 3.92Å; E100-I104 HydrophobicContact CG-CG1 4.33Å; E100-I104 WeakPolarHBondContact O-CG1 3.4Å; E100-I104 PolarHBondContact O-N 3.49Å; N101-I104 PolarHBondContact O-N 3.02Å; I104-L106 PolarHBondContact O-N 3.25Å; I104-R107 WeakPolarHBondContact O-CB 3.41Å; I104-R107 PolarHBondContact O-N 2.83Å; I104-R107 VanDerWaalsContact O-N 3.13Å; I104-Y108 HydrophobicContact CG2-CD1 4.27Å; I104-Y108 HydrophobicContact CG2-CD2 3.79Å; I104-Y108 HydrophobicContact CG2-CE1 3.88Å; I104-Y108 HydrophobicContact CG2-CE2 3.32Å; I104-Y108 HydrophobicContact CG2-CG 4.24Å; I104-Y108 PolarHBondContact O-N 2.95Å
105	A	96.6	Very high	96.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.1	-46.6	179.8	0	0	0	0	0	111.5	N101 L102 R107 Y108 Y109 W119 Y142	N101-A105 WeakPolarHBondContact O-CB 3.41Å; N101-A105 PolarHBondContact O-N 3.11Å; L102-A105 PolarHBondContact O-N 2.75Å; A105-R107 PolarHBondContact O-N 3.47Å; A105-Y108 PolarHBondContact O-N 2.91Å; A105-Y109 VanDerWaalsContact O-CD2 3.28Å; A105-Y109 WeakPolarHBondContact O-CD2 3.48Å; A105-Y109 PolarHBondContact O-N 2.72Å; A105-W119 HydrophobicContact CB-CE3 4.1Å; A105-W119 HydrophobicContact CB-CZ3 3.75Å; A105-Y142 HydrophobicContact CB-CD1 4.36Å; A105-Y142 HydrophobicContact CB-CD2 3.98Å; A105-Y142 HydrophobicContact CB-CE1 3.98Å; A105-Y142 HydrophobicContact CB-CE2 3.55Å; A105-Y142 HydrophobicContact CB-CG 4.34Å
106	L	96.5	Very high	96	Very high	28 Å²	28	68.4 Å²	68.4	15%	0.147	35%	0.353	C	S	.	.	H	α-helix	trans	-49.5	-45.9	172.9	-80.7	171.5	0	0	0	112.2	L102 I104 N110 Q111 H117	L102-L106 WeakPolarHBondContact O-CG 3.27Å; L102-L106 PolarHBondContact O-N 2.64Å; I104-L106 PolarHBondContact O-N 3.25Å; L106-N110 PolarHBondContact O-N 2.63Å; L106-N110 VanDerWaalsContact O-N 3.08Å; L106-Q111 HydrophobicContact CD2-CB 3.61Å; L106-Q111 PolarHBondContact O-N 3Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.21Å; L106-H117 VanDerWaalsContact CD2-NE2 3.34Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.11Å
107	R	96.7	Very high	96	Very high	144 Å²	144	64.2 Å²	64.2	54%	0.543	33%	0.334	S	S	.	.	H	α-helix	trans	-68.3	-43	177.9	-68.3	-173.9	-66.9	-112.6	1.8	112.5	E100 R103 I104 A105 Y109 N110	E100-R107 IonicContact OE1-NH2 3.11Å; E100-R107 PolarHBondContact OE1-NH2 3.2Å; E100-R107 VanDerWaalsContact OE1-NH2 3.15Å; R103-R107 PolarHBondContact O-N 3.4Å; I104-R107 WeakPolarHBondContact O-CB 3.41Å; I104-R107 PolarHBondContact O-N 2.83Å; I104-R107 VanDerWaalsContact O-N 3.13Å; A105-R107 PolarHBondContact O-N 3.47Å; R107-Y109 VanDerWaalsContact C-N 3.29Å; R107-Y109 PolarHBondContact O-N 3.37Å; R107-N110 PolarHBondContact O-N 2.82Å
108	Y	97.3	Very high	96.1	Very high	51 Å²	51	63 Å²	63	20%	0.2	33%	0.327	C	S	.	.	H	α-helix	trans	-64.8	-35.1	-179	-70	-7.8	0	0	0	112.7	I104 A105 I166 K170	I104-Y108 HydrophobicContact CG2-CD1 4.27Å; I104-Y108 HydrophobicContact CG2-CD2 3.79Å; I104-Y108 HydrophobicContact CG2-CE1 3.88Å; I104-Y108 HydrophobicContact CG2-CE2 3.32Å; I104-Y108 HydrophobicContact CG2-CG 4.24Å; I104-Y108 PolarHBondContact O-N 2.95Å; A105-Y108 PolarHBondContact O-N 2.91Å; Y108-I166 HydrophobicContact CD1-CD1 4.18Å; Y108-I166 HydrophobicContact CE1-CD1 4.28Å; Y108-I166 HydrophobicContact CE1-CG2 4.13Å; Y108-I166 HydrophobicContact CE2-CB 4.11Å; Y108-I166 HydrophobicContact CE2-CG2 4Å; Y108-I166 HydrophobicContact CG-CD1 4.3Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.41Å; Y108-K170 WeakPolarHBondContact OH-CE 3.3Å; Y108-K170 PolarHBondContact OH-NZ 3.07Å
109	Y	97.4	Very high	96.2	Very high	66 Å²	66	62.7 Å²	62.7	26%	0.259	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	3.3	179.4	-69	-71.8	0	0	0	114.1	A105 R107 Q111 Y142 Y147 D161 A163	A105-Y109 VanDerWaalsContact O-CD2 3.28Å; A105-Y109 WeakPolarHBondContact O-CD2 3.48Å; A105-Y109 PolarHBondContact O-N 2.72Å; R107-Y109 VanDerWaalsContact C-N 3.29Å; R107-Y109 PolarHBondContact O-N 3.37Å; Y109-Q111 PolarHBondContact O-N 3.48Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.55Å; Y109-Y142 HydrophobicContact CD2-CE1 3.55Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.88Å; Y109-Y142 HydrophobicContact CE2-CE1 3.88Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Y109-Y147 HydrophobicContact CE2-CD2 4.31Å; Y109-Y147 AromaticContact CE2-CE2 3.95Å; Y109-Y147 HydrophobicContact CE2-CE2 3.95Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.21Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.2Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.47Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.26Å; Y109-D161 PolarHBondContact OH-OD1 2.94Å; Y109-D161 PolarHBondContact OH-OD2 3.46Å; Y109-A163 HydrophobicContact CD1-CB 4.16Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	96.4	Very high	96.2	Very high	150 Å²	150	64.1 Å²	64.1	80%	0.802	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	41.6	-176	-57.4	-58.2	0	0	0	113.1	L106 R107	L106-N110 PolarHBondContact O-N 2.63Å; L106-N110 VanDerWaalsContact O-N 3.08Å; R107-N110 PolarHBondContact O-N 2.82Å
111	Q	96.3	Very high	96.3	Very high	64 Å²	64	61.2 Å²	61.2	30%	0.299	32%	0.321	S	S	.	.			trans	-89.7	154.9	-177.1	-71.7	171	-35.3	0	0	111.9	L106 Y109 H117 Y142	L106-Q111 HydrophobicContact CD2-CB 3.61Å; L106-Q111 PolarHBondContact O-N 3Å; Y109-Q111 PolarHBondContact O-N 3.48Å; Q111-H117 PolarHBondContact NE2-CE1 3.27Å; Q111-H117 PolarHBondContact OE1-CE1 3.48Å; Q111-Y142 VanDerWaalsContact OE1-CE1 3.3Å; Q111-Y142 PolarHBondContact OE1-OH 2.97Å
112	S	93.9	Very high	96.4	Very high	82 Å²	82	60.2 Å²	60.2	57%	0.573	32%	0.315	S	S	*	.			trans	-75.7	142.5	177.3	175.2	0	0	0	0	111.9	A114 G115	S112-A114 PolarHBondContact O-N 2.65Å; S112-A114 PolarHBondContact OG-N 2.89Å; S112-G115 PolarHBondContact O-N 2.89Å
113	E	91.8	Very high	96.5	Very high	167 Å²	167	61.7 Å²	61.7	78%	0.78	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.9	174.8	-61.7	-172.5	170.5	0	0	113.7	P39 G115	P39-E113 WeakPolarHBondContact CB-O 3.46Å; P39-E113 WeakPolarHBondContact CG-O 3.1Å; E113-G115 VanDerWaalsContact C-N 3.27Å
114	A	92.5	Very high	96.6	Very high	83 Å²	83	56.2 Å²	56.2	69%	0.686	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-16.6	176.3	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 2.65Å; S112-A114 PolarHBondContact OG-N 2.89Å
115	G	92.6	Very high	96.7	Very high	26 Å²	26	54.4 Å²	54.4	27%	0.268	29%	0.291	S	S	.	.	S	Bend	trans	-77.2	140.1	-179.6	0	0	0	0	0	113.1	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.37Å; S112-G115 PolarHBondContact O-N 2.89Å; E113-G115 VanDerWaalsContact C-N 3.27Å; G115-H117 PolarHBondContact O-CD2 2.75Å
116	S	96.3	Very high	96.8	Very high	83 Å²	83	55.9 Å²	55.9	58%	0.58	30%	0.298	S	S	*	.			trans	-84.7	132.3	165.4	-178.8	0	0	0	0	108.9	S37	S37-S116 PolarHBondContact O-OG 2.85Å
117	H	98.1	Very high	96.8	Very high	15 Å²	15	54.7 Å²	54.7	7%	0.069	29%	0.292	C	S	.	.			trans	-132.9	151.7	-173.9	-65.5	-75.9	0	0	0	110.3	M36 S37 L102 L106 Q111 G115 Y142 D143	M36-H117 WeakPolarHBondContact CA-O 3.49Å; S37-H117 PolarHBondContact N-O 3.47Å; S37-H117 PolarHBondContact OG-N 2.98Å; S37-H117 PolarHBondContact OG-O 2.75Å; L102-H117 HydrophobicContact CD2-CB 4.13Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.21Å; L106-H117 VanDerWaalsContact CD2-NE2 3.34Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.11Å; Q111-H117 PolarHBondContact NE2-CE1 3.27Å; Q111-H117 PolarHBondContact OE1-CE1 3.48Å; G115-H117 PolarHBondContact O-CD2 2.75Å; H117-Y142 HydrophobicContact CB-CE2 3.87Å; H117-Y142 VanDerWaalsContact CG-OH 3.24Å; H117-Y142 AromaticContact ND1-CZ 3.83Å; H117-Y142 PolarHBondContact ND1-OH 3.18Å; H117-D143 WeakPolarHBondContact CA-OD1 3.32Å; H117-D143 WeakPolarHBondContact CB-OD1 3.41Å; H117-D143 IonicContact CE1-OD2 3.64Å; H117-D143 IonicContact CG-OD1 3.74Å; H117-D143 IonicContact CG-OD2 3.53Å; H117-D143 IonicContact ND1-OD1 3.15Å; H117-D143 PolarHBondContact ND1-OD1 3.25Å; H117-D143 IonicContact ND1-OD2 3Å; H117-D143 PolarHBondContact ND1-OD2 2.82Å
118	T	98.5	Very high	96.7	Very high	38 Å²	38	48 Å²	48	23%	0.233	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.6	-175.5	-57.8	0	0	0	0	110.5	T34 A35 M36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.02Å; A35-T118 CarbonylContact O-C 3.55Å; A35-T118 WeakPolarHBondContact O-CA 3.48Å; M36-T118 HydrophobicContact CG-CG2 4.15Å; T118-Q120 HydrophobicContact CG2-CG 3.91Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.42Å; T118-Y142 VanDerWaalsContact O-CD2 3.29Å; T118-Y142 WeakPolarHBondContact O-CD2 3.46Å; T118-D143 PolarHBondContact N-OD1 3.37Å; T118-D143 PolarHBondContact O-N 2.81Å
119	W	98.6	Very high	96.3	Very high	9 Å²	9	50.3 Å²	50.3	3%	0.034	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.5	173.2	-170.4	-79.5	0	0	0	109.4	T34 A35 Y98 N101 L102 A105 L140 Y142 Y147	T34-W119 WeakPolarHBondContact CA-O 3.13Å; A35-W119 HydrophobicContact CB-CB 4.46Å; A35-W119 PolarHBondContact N-O 3.13Å; A35-W119 PolarHBondContact O-N 2.82Å; Y98-W119 AromaticContact CD1-CD1 3.45Å; Y98-W119 VanDerWaalsContact CD1-CD1 3.45Å; Y98-W119 HydrophobicContact CD1-CG 4.27Å; Y98-W119 AromaticContact CE1-CD1 3.42Å; Y98-W119 VanDerWaalsContact CE1-CD1 3.42Å; N101-W119 HydrophobicContact CB-CD2 3.99Å; N101-W119 HydrophobicContact CB-CE3 4.34Å; N101-W119 HydrophobicContact CB-CG 4.43Å; N101-W119 HydrophobicContact CB-CH2 4.48Å; N101-W119 HydrophobicContact CB-CZ2 4.12Å; L102-W119 HydrophobicContact CD2-CB 3.78Å; L102-W119 HydrophobicContact CG-CB 4.08Å; A105-W119 HydrophobicContact CB-CE3 4.1Å; A105-W119 HydrophobicContact CB-CZ3 3.75Å; W119-L140 HydrophobicContact CZ2-CD2 3.63Å; W119-Y142 AromaticContact CE3-CD2 3.57Å; W119-Y142 HydrophobicContact CE3-CD2 3.57Å; W119-Y142 HydrophobicContact CE3-CE2 4.28Å; W119-Y142 HydrophobicContact CE3-CG 4.18Å; W119-Y142 HydrophobicContact CZ3-CD2 4.09Å; W119-Y142 HydrophobicContact CZ3-CG 4.32Å; W119-Y147 AromaticContact CH2-CD1 3.66Å; W119-Y147 HydrophobicContact CH2-CD1 3.66Å; W119-Y147 AromaticContact CH2-CE1 3.46Å; W119-Y147 HydrophobicContact CH2-CE1 3.46Å; W119-Y147 VanDerWaalsContact CH2-CE1 3.46Å; W119-Y147 HydrophobicContact CH2-CG 4.31Å; W119-Y147 AromaticContact CH2-CZ 3.94Å; W119-Y147 HydrophobicContact CZ2-CD1 4.2Å; W119-Y147 HydrophobicContact CZ2-CE1 4.22Å; W119-Y147 HydrophobicContact CZ3-CD1 4.39Å; W119-Y147 HydrophobicContact CZ3-CE1 4.3Å
120	Q	98.7	Very high	95.9	Very high	76 Å²	76	52 Å²	52	36%	0.355	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.6	-176.1	-71.5	170.5	-81.2	0	0	111.4	Y33 T34 T118 L140 A141	Y33-Q120 CarbonylContact O-C 3.59Å; Y33-Q120 VanDerWaalsContact O-CA 3.26Å; Y33-Q120 WeakPolarHBondContact O-CA 3.39Å; T34-Q120 HydrophobicContact CG2-CG 4.05Å; T118-Q120 HydrophobicContact CG2-CG 3.91Å; Q120-L140 VanDerWaalsContact O-CA 3.29Å; Q120-L140 WeakPolarHBondContact O-CA 3.29Å; Q120-A141 HydrophobicContact CB-CB 4.28Å; Q120-A141 PolarHBondContact N-O 3.13Å; Q120-A141 PolarHBondContact O-N 2.84Å
121	T	98.5	Very high	95.6	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	134.9	174.1	-53.1	0	0	0	0	109.8	F32 Y33 Y98 Y123 Q139 L140	F32-T121 WeakPolarHBondContact CA-O 3.36Å; Y33-T121 PolarHBondContact N-O 2.63Å; Y33-T121 PolarHBondContact O-N 2.89Å; Y98-T121 WeakPolarHBondContact CE1-OG1 3.38Å; Y98-T121 WeakPolarHBondContact OH-CB 3.23Å; Y98-T121 PolarHBondContact OH-OG1 2.83Å; T121-Y123 HydrophobicContact CG2-CD1 4.26Å; T121-Q139 CarbonylContact C-O 3.48Å; T121-Q139 WeakPolarHBondContact CA-O 3.33Å; T121-L140 HydrophobicContact CG2-CD1 4.02Å; T121-L140 HydrophobicContact CG2-CG 4.01Å
122	M	98.6	Very high	95.5	Very high	17 Å²	17	50.7 Å²	50.7	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.5	166.5	-174	-75	-76.4	0	0	107.9	Y31 F32 H137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.49Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 4.09Å; F32-M122 HydrophobicContact CE1-CG 3.35Å; F32-M122 HydrophobicContact CZ-CG 3.98Å; M122-H137 HydrophobicContact CE-CB 3.76Å; M122-H137 HydrophobicContact SD-CB 4.01Å; M122-N138 WeakPolarHBondContact O-CA 3.32Å; M122-Q139 HydrophobicContact CB-CG 3.95Å; M122-Q139 HydrophobicContact CE-CG 3.91Å; M122-Q139 PolarHBondContact N-O 3.33Å; M122-Q139 PolarHBondContact O-N 3.32Å
123	Y	98.6	Very high	95.6	Very high	35 Å²	35	49.2 Å²	49.2	14%	0.137	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	157.9	170.6	73.2	-85.6	0	0	0	110.7	Y31 Y33 T121 H137 Y183	Y31-Y123 AromaticContact CD2-CE2 3.83Å; Y31-Y123 HydrophobicContact CD2-CE2 3.83Å; Y31-Y123 AromaticContact CD2-CZ 3.84Å; Y31-Y123 HydrophobicContact CG-CE1 4.29Å; Y31-Y123 HydrophobicContact CG-CE2 4.31Å; Y31-Y123 AromaticContact CG-CZ 3.86Å; Y31-Y123 PolarHBondContact N-O 2.8Å; Y31-Y123 PolarHBondContact O-N 2.8Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; Y33-Y123 HydrophobicContact CD2-CE1 4.18Å; Y33-Y123 HydrophobicContact CE1-CE1 4.1Å; Y33-Y123 AromaticContact CE2-CE1 3.54Å; Y33-Y123 HydrophobicContact CE2-CE1 3.54Å; Y33-Y123 AromaticContact CZ-CE1 3.5Å; Y33-Y123 VanDerWaalsContact CZ-CE1 3.5Å; Y33-Y123 AromaticContact CZ-CZ 3.89Å; Y33-Y123 PolarHBondContact OH-OH 2.92Å; T121-Y123 HydrophobicContact CG2-CD1 4.26Å; Y123-H137 WeakPolarHBondContact CA-O 3.36Å; Y123-H137 VanDerWaalsContact CB-O 3.26Å; Y123-H137 WeakPolarHBondContact CB-O 3.23Å; Y123-Y183 AromaticContact CD2-CE1 3.86Å; Y123-Y183 HydrophobicContact CD2-CE1 3.86Å; Y123-Y183 AromaticContact CE2-CE1 3.69Å; Y123-Y183 HydrophobicContact CE2-CE1 3.69Å; Y123-Y183 AromaticContact CE2-CZ 3.89Å
124	G	98.6	Very high	95.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.8	-177.3	-175.2	0	0	0	0	0	113.8	M29 H137 L184	M29-G124 CarbonylContact O-C 3.51Å; M29-G124 WeakPolarHBondContact O-CA 3.36Å; G124-H137 PolarHBondContact N-O 3.32Å; G124-H137 PolarHBondContact O-N 2.79Å; G124-L184 WeakPolarHBondContact O-CD2 3.45Å
125	C	98.6	Very high	96	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147	-177.6	52	0	0	0	0	110.9	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.48Å; M29-C125 PolarHBondContact N-O 3.17Å; M29-C125 PolarHBondContact O-N 3.4Å; C125-L133 HydrophobicContact CB-CD1 3.59Å; C125-R135 CarbonylContact C-O 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.45Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.5Å; C125-C188 PolarHBondContact N-SG 3.2Å; C125-C188 WeakPolarHBondContact SG-CB 3.35Å; C125-C188 PolarHBondContact SG-O 3.41Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.31Å
126	D	98.1	Very high	96.3	Very high	30 Å²	30	46.9 Å²	46.9	16%	0.16	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.6	174.3	-53.1	-23.7	0	0	0	108.5	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.27Å; S28-D126 VanDerWaalsContact CB-OD1 3.23Å; S28-D126 WeakPolarHBondContact CB-OD1 3.48Å; R30-D126 IonicContact CZ-OD1 3.94Å; R30-D126 IonicContact NE-OD1 3.86Å; R30-D126 PolarHBondContact NE-OD1 3.29Å; R30-D126 VanDerWaalsContact NE-OD1 3.15Å; R30-D126 VanDerWaalsContact NH2-CG 3.34Å; R30-D126 IonicContact NH2-OD1 2.79Å; R30-D126 PolarHBondContact NH2-OD1 3Å; R30-D126 IonicContact NH2-OD2 3.87Å; R30-D126 PolarHBondContact NH2-OD2 3.37Å; R30-D126 VanDerWaalsContact NH2-OD2 3.11Å; D126-L134 PolarHBondContact O-N 2.89Å; D126-R135 HydrophobicContact CB-CB 4.36Å; D126-R135 PolarHBondContact N-O 3.06Å; D126-R135 PolarHBondContact O-N 2.95Å; D126-H137 IonicContact OD1-CD2 3.47Å; D126-H137 IonicContact OD1-NE2 3.62Å; D126-H137 IonicContact OD2-CD2 3.65Å; D126-H137 IonicContact OD2-CE1 3.84Å; D126-H137 IonicContact OD2-NE2 3.96Å; D126-H137 PolarHBondContact OD2-NE2 3.21Å
127	L	97.1	Very high	96.4	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.5	176	-54.5	-176.7	0	0	0	110.6	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.29Å; S26-L127 WeakPolarHBondContact CA-O 3.25Å; S26-L127 WeakPolarHBondContact CB-O 3.48Å; H27-L127 PolarHBondContact N-O 3.17Å; H27-L127 PolarHBondContact O-N 3.05Å; L127-R132 CarbonylContact C-O 3.54Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.49Å; L127-V189 HydrophobicContact CD1-CG1 4.49Å; L127-V189 HydrophobicContact CD2-CB 4.2Å; L127-V189 HydrophobicContact CD2-CG1 3.83Å; L127-V189 HydrophobicContact CD2-CG2 3.82Å; L127-L192 HydrophobicContact CB-CD2 4.48Å; L127-L192 HydrophobicContact CD1-CB 4.21Å; L127-L192 HydrophobicContact CD1-CD2 3.65Å; L127-L192 HydrophobicContact CD1-CG 3.72Å; L127-L192 HydrophobicContact CG-CD2 3.56Å; L127-L192 HydrophobicContact CG-CG 4.23Å; L127-R193 HydrophobicContact CD1-CG 3.95Å
128	G	94	Very high	96.4	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.031	22%	0.22	C	C	.	.			trans	-79.5	177.3	170.8	0	0	0	0	0	111.9	D130 G131 R132 L134	G128-D130 PolarHBondContact O-N 3.41Å; G128-D130 VanDerWaalsContact O-N 3.15Å; G128-G131 WeakPolarHBondContact O-CA 3.34Å; G128-G131 PolarHBondContact O-N 3.2Å; G128-R132 PolarHBondContact N-O 3.05Å; G128-L134 VanDerWaalsContact N-CG 3.35Å
129	P	89.6	Confident	96.4	Very high	101 Å²	101	46.2 Å²	46.2	66%	0.656	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.2	177.2	-24.3	34.8	0	0	0	114.3	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.4Å; G25-P129 VanDerWaalsContact O-CA 3.29Å; G25-P129 WeakPolarHBondContact O-CA 3.5Å; P129-G131 PolarHBondContact O-N 3.47Å
130	D	89.6	Confident	96.4	Very high	100 Å²	100	46.3 Å²	46.3	54%	0.535	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	2.7	173.9	70.6	-13.5	0	0	0	113.3	G128 R132	G128-D130 PolarHBondContact O-N 3.41Å; G128-D130 VanDerWaalsContact O-N 3.15Å; D130-R132 PolarHBondContact O-N 3.08Å; D130-R132 WeakPolarHBondContact OD1-CB 3.47Å; D130-R132 PolarHBondContact OD1-N 3.45Å; D130-R132 WeakPolarHBondContact OD2-CD 3.48Å; D130-R132 WeakPolarHBondContact OD2-CG 3.49Å; D130-R132 IonicContact OD2-CZ 3.91Å; D130-R132 IonicContact OD2-NE 3.98Å; D130-R132 IonicContact OD2-NH1 3.69Å
131	G	89.3	Confident	96.4	Very high	19 Å²	19	43.4 Å²	43.4	20%	0.196	22%	0.219	C	C	.	.	S	Bend	trans	71.7	10.2	-178.3	0	0	0	0	0	114.1	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.34Å; G128-G131 PolarHBondContact O-N 3.2Å; P129-G131 PolarHBondContact O-N 3.47Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 2.8Å; G131-R193 PolarHBondContact O-NH2 3.3Å
132	R	94.1	Very high	96.4	Very high	168 Å²	168	43.5 Å²	43.5	63%	0.634	22%	0.218	S	C	*	.			trans	-88.4	153.8	177.9	-62.6	-173.5	-177.3	161.3	-3.5	111.4	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.54Å; L127-R132 VanDerWaalsContact CA-O 3.23Å; L127-R132 WeakPolarHBondContact CA-O 3.49Å; G128-R132 PolarHBondContact N-O 3.05Å; D130-R132 PolarHBondContact O-N 3.08Å; D130-R132 WeakPolarHBondContact OD1-CB 3.47Å; D130-R132 PolarHBondContact OD1-N 3.45Å; D130-R132 WeakPolarHBondContact OD2-CD 3.48Å; D130-R132 WeakPolarHBondContact OD2-CG 3.49Å; D130-R132 IonicContact OD2-CZ 3.91Å; D130-R132 IonicContact OD2-NE 3.98Å; D130-R132 IonicContact OD2-NH1 3.69Å; R132-L134 PolarHBondContact O-N 3.23Å
133	L	96.8	Very high	96.4	Very high	51 Å²	51	45.5 Å²	45.5	27%	0.267	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	120.6	175.3	-176.6	72.8	0	0	0	109.9	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.59Å; L133-R135 WeakPolarHBondContact CD1-O 3.47Å; L133-L154 HydrophobicContact CD2-CD1 4.27Å; L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.68Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 3.99Å
134	L	96.2	Very high	96.3	Very high	117 Å²	117	46.7 Å²	46.7	61%	0.613	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	-44.8	167.9	-69.8	178.1	0	0	0	110.9	D126 G128 R132	D126-L134 PolarHBondContact O-N 2.89Å; G128-L134 VanDerWaalsContact N-CG 3.35Å; R132-L134 PolarHBondContact O-N 3.23Å
135	R	96.5	Very high	96.3	Very high	106 Å²	106	54.2 Å²	54.2	40%	0.4	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	137.8	-174.3	-171.1	172.2	175.9	139.3	9.6	111.6	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.45Å; D126-R135 HydrophobicContact CB-CB 4.36Å; D126-R135 PolarHBondContact N-O 3.06Å; D126-R135 PolarHBondContact O-N 2.95Å; L133-R135 WeakPolarHBondContact CD1-O 3.47Å; R135-H137 WeakPolarHBondContact CD-CE1 3.43Å; R135-H137 PolarHBondContact NE-CE1 3.44Å; R135-E152 IonicContact CZ-OE1 3.71Å; R135-E152 IonicContact NH1-OE1 3.42Å; R135-E152 PolarHBondContact NH1-OE1 2.84Å; R135-E152 IonicContact NH2-OE1 3.54Å; R135-E152 PolarHBondContact NH2-OE1 3.46Å
136	G	97.9	Very high	96.3	Very high	4 Å²	4	60.4 Å²	60.4	4%	0.041	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	148.8	167.5	0	0	0	0	0	110.8
137	H	97.9	Very high	96.3	Very high	21 Å²	21	59.1 Å²	59.1	10%	0.097	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.6	-178.1	-57.2	-92.3	0	0	0	110.6	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 3.4Å; M122-H137 HydrophobicContact CE-CB 3.76Å; M122-H137 HydrophobicContact SD-CB 4.01Å; Y123-H137 WeakPolarHBondContact CA-O 3.36Å; Y123-H137 VanDerWaalsContact CB-O 3.26Å; Y123-H137 WeakPolarHBondContact CB-O 3.23Å; G124-H137 PolarHBondContact N-O 3.32Å; G124-H137 PolarHBondContact O-N 2.79Å; D126-H137 IonicContact OD1-CD2 3.47Å; D126-H137 IonicContact OD1-NE2 3.62Å; D126-H137 IonicContact OD2-CD2 3.65Å; D126-H137 IonicContact OD2-CE1 3.84Å; D126-H137 IonicContact OD2-NE2 3.96Å; D126-H137 PolarHBondContact OD2-NE2 3.21Å; R135-H137 WeakPolarHBondContact CD-CE1 3.43Å; R135-H137 PolarHBondContact NE-CE1 3.44Å
138	N	98.5	Very high	96.4	Very high	15 Å²	15	59.1 Å²	59.1	8%	0.08	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	106.9	162.9	-170.3	-74.7	0	0	0	108.4	M122 L140 L150 L180	M122-N138 WeakPolarHBondContact O-CA 3.32Å; N138-L140 VanDerWaalsContact OD1-CD1 3.23Å; N138-L140 WeakPolarHBondContact OD1-CD1 3.06Å; N138-L150 HydrophobicContact CB-CB 3.95Å; N138-L150 HydrophobicContact CB-CD2 4.18Å; N138-L150 WeakPolarHBondContact O-CB 3.35Å; N138-L150 PolarHBondContact O-N 3.41Å; N138-L180 HydrophobicContact CB-CD1 4.24Å
139	Q	98.3	Very high	96.6	Very high	87 Å²	87	60.4 Å²	60.4	41%	0.407	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	139.5	-176.3	63.7	-173.6	17.3	0	0	111	T121 M122 A149	T121-Q139 CarbonylContact C-O 3.48Å; T121-Q139 WeakPolarHBondContact CA-O 3.33Å; M122-Q139 HydrophobicContact CB-CG 3.95Å; M122-Q139 HydrophobicContact CE-CG 3.91Å; M122-Q139 PolarHBondContact N-O 3.33Å; M122-Q139 PolarHBondContact O-N 3.32Å; Q139-A149 HydrophobicContact CB-CB 3.99Å
140	L	98.5	Very high	97	Very high	10 Å²	10	56.2 Å²	56.2	5%	0.052	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.4	-175.8	-70.3	74.4	0	0	0	109.7	W119 Q120 T121 N138 Y147 I148 W171	W119-L140 HydrophobicContact CZ2-CD2 3.63Å; Q120-L140 VanDerWaalsContact O-CA 3.29Å; Q120-L140 WeakPolarHBondContact O-CA 3.29Å; T121-L140 HydrophobicContact CG2-CD1 4.02Å; T121-L140 HydrophobicContact CG2-CG 4.01Å; N138-L140 VanDerWaalsContact OD1-CD1 3.23Å; N138-L140 WeakPolarHBondContact OD1-CD1 3.06Å; L140-Y147 WeakPolarHBondContact O-CB 3.26Å; L140-Y147 PolarHBondContact O-N 3Å; L140-I148 HydrophobicContact CB-CG2 4.17Å; L140-I148 HydrophobicContact CD1-CG2 4.34Å; L140-I148 HydrophobicContact CD2-CG2 4.48Å; L140-I148 PolarHBondContact N-O 2.72Å; L140-I148 PolarHBondContact O-N 3.43Å; L140-W171 HydrophobicContact CD1-CH2 4Å; L140-W171 HydrophobicContact CD1-CZ3 4.39Å; L140-W171 HydrophobicContact CD2-CH2 3.82Å; L140-W171 HydrophobicContact CD2-CZ2 4.43Å
141	A	98.7	Very high	97.5	Very high	16 Å²	16	53.6 Å²	53.6	13%	0.132	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	147.2	176.6	0	0	0	0	0	110.8	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.28Å; Q120-A141 PolarHBondContact N-O 3.13Å; Q120-A141 PolarHBondContact O-N 2.84Å; A141-K145 CarbonylContact C-O 3.52Å; A141-K145 WeakPolarHBondContact CA-O 3.3Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.36Å
142	Y	98.6	Very high	97.8	Very high	10 Å²	10	59 Å²	59	4%	0.039	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.9	176	-176.4	-118.8	0	0	0	109.9	L102 A105 Y109 Q111 H117 T118 W119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.16Å; A105-Y142 HydrophobicContact CB-CD1 4.36Å; A105-Y142 HydrophobicContact CB-CD2 3.98Å; A105-Y142 HydrophobicContact CB-CE1 3.98Å; A105-Y142 HydrophobicContact CB-CE2 3.55Å; A105-Y142 HydrophobicContact CB-CG 4.34Å; Y109-Y142 AromaticContact CD2-CD1 3.75Å; Y109-Y142 HydrophobicContact CD2-CD1 3.75Å; Y109-Y142 AromaticContact CD2-CE1 3.55Å; Y109-Y142 HydrophobicContact CD2-CE1 3.55Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.88Å; Y109-Y142 HydrophobicContact CE2-CE1 3.88Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.38Å; Q111-Y142 VanDerWaalsContact OE1-CE1 3.3Å; Q111-Y142 PolarHBondContact OE1-OH 2.97Å; H117-Y142 HydrophobicContact CB-CE2 3.87Å; H117-Y142 VanDerWaalsContact CG-OH 3.24Å; H117-Y142 AromaticContact ND1-CZ 3.83Å; H117-Y142 PolarHBondContact ND1-OH 3.18Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.42Å; T118-Y142 VanDerWaalsContact O-CD2 3.29Å; T118-Y142 WeakPolarHBondContact O-CD2 3.46Å; W119-Y142 AromaticContact CE3-CD2 3.57Å; W119-Y142 HydrophobicContact CE3-CD2 3.57Å; W119-Y142 HydrophobicContact CE3-CE2 4.28Å; W119-Y142 HydrophobicContact CE3-CG 4.18Å; W119-Y142 HydrophobicContact CZ3-CD2 4.09Å; W119-Y142 HydrophobicContact CZ3-CG 4.32Å; Y142-G144 PolarHBondContact O-N 2.99Å; Y142-K145 PolarHBondContact N-O 2.76Å; Y142-K145 PolarHBondContact O-N 2.91Å
143	D	98	Very high	98	Very high	60 Å²	60	54.9 Å²	54.9	32%	0.321	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	39.5	-175.2	-66	-21.7	0	0	0	113.4	H117 T118 K145	H117-D143 WeakPolarHBondContact CA-OD1 3.32Å; H117-D143 WeakPolarHBondContact CB-OD1 3.41Å; H117-D143 IonicContact CE1-OD2 3.64Å; H117-D143 IonicContact CG-OD1 3.74Å; H117-D143 IonicContact CG-OD2 3.53Å; H117-D143 IonicContact ND1-OD1 3.15Å; H117-D143 PolarHBondContact ND1-OD1 3.25Å; H117-D143 IonicContact ND1-OD2 3Å; H117-D143 PolarHBondContact ND1-OD2 2.82Å; T118-D143 PolarHBondContact N-OD1 3.37Å; T118-D143 PolarHBondContact O-N 2.81Å; D143-K145 VanDerWaalsContact C-N 3.27Å; D143-K145 PolarHBondContact O-N 2.79Å
144	G	97.1	Very high	98	Very high	60 Å²	60	53 Å²	53	62%	0.619	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	7.2	178.7	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 2.99Å
145	K	98.3	Very high	98.1	Very high	158 Å²	158	50.7 Å²	50.7	69%	0.687	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	144.7	175.8	-61.4	180	-177.1	177.9	0	110.6	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.52Å; A141-K145 WeakPolarHBondContact CA-O 3.3Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.36Å; Y142-K145 PolarHBondContact N-O 2.76Å; Y142-K145 PolarHBondContact O-N 2.91Å; D143-K145 VanDerWaalsContact C-N 3.27Å; D143-K145 PolarHBondContact O-N 2.79Å; K145-Y147 PolarHBondContact O-N 3.32Å
146	D	98.5	Very high	98.2	Very high	129 Å²	129	47.5 Å²	47.5	69%	0.69	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.6	136.4	173.8	-65.6	-34.9	0	0	0	110.6	A160	D146-A160 HydrophobicContact CB-CB 4.42Å; D146-A160 WeakPolarHBondContact O-CB 3.4Å
147	Y	98.6	Very high	98.2	Very high	3 Å²	3	48 Å²	48	1%	0.012	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-64.4	-179.5	-179.3	-106.1	0	0	0	110.5	Y109 W119 L140 K145 A160 A163 A164 T167	Y109-Y147 HydrophobicContact CE2-CD2 4.31Å; Y109-Y147 AromaticContact CE2-CE2 3.95Å; Y109-Y147 HydrophobicContact CE2-CE2 3.95Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.21Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.2Å; W119-Y147 AromaticContact CH2-CD1 3.66Å; W119-Y147 HydrophobicContact CH2-CD1 3.66Å; W119-Y147 AromaticContact CH2-CE1 3.46Å; W119-Y147 HydrophobicContact CH2-CE1 3.46Å; W119-Y147 VanDerWaalsContact CH2-CE1 3.46Å; W119-Y147 HydrophobicContact CH2-CG 4.31Å; W119-Y147 AromaticContact CH2-CZ 3.94Å; W119-Y147 HydrophobicContact CZ2-CD1 4.2Å; W119-Y147 HydrophobicContact CZ2-CE1 4.22Å; W119-Y147 HydrophobicContact CZ3-CD1 4.39Å; W119-Y147 HydrophobicContact CZ3-CE1 4.3Å; L140-Y147 WeakPolarHBondContact O-CB 3.26Å; L140-Y147 PolarHBondContact O-N 3Å; K145-Y147 PolarHBondContact O-N 3.32Å; Y147-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 PolarHBondContact O-N 3.5Å; Y147-A163 HydrophobicContact CE2-CB 4.47Å; Y147-A164 HydrophobicContact CD1-CB 4.47Å; Y147-A164 HydrophobicContact CD2-CB 3.91Å; Y147-A164 HydrophobicContact CE1-CB 4.39Å; Y147-A164 HydrophobicContact CE2-CB 3.83Å; Y147-A164 HydrophobicContact CG-CB 4.24Å; Y147-A164 WeakPolarHBondContact O-CB 3.35Å; Y147-T167 HydrophobicContact CE1-CG2 4.24Å; Y147-T167 PolarHBondContact OH-OG1 3.44Å
148	I	98.6	Very high	98.3	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	141.2	177.2	-162.2	173.1	0	0	0	110.2	L140 W157 T158 T167 Q168 W171	L140-I148 HydrophobicContact CB-CG2 4.17Å; L140-I148 HydrophobicContact CD1-CG2 4.34Å; L140-I148 HydrophobicContact CD2-CG2 4.48Å; L140-I148 PolarHBondContact N-O 2.72Å; L140-I148 PolarHBondContact O-N 3.43Å; I148-W157 HydrophobicContact CD1-CB 4.29Å; I148-W157 HydrophobicContact CD1-CD2 4.37Å; I148-W157 HydrophobicContact CD1-CE3 4.14Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.41Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; I148-T158 WeakPolarHBondContact CA-O 3.39Å; I148-T167 HydrophobicContact CD1-CG2 4.35Å; I148-Q168 HydrophobicContact CD1-CB 3.88Å; I148-W171 HydrophobicContact CD1-CE3 4.22Å; I148-W171 HydrophobicContact CG2-CH2 4.28Å; I148-W171 HydrophobicContact CG2-CZ3 3.93Å
149	A	98.8	Very high	98.3	Very high	29 Å²	29	51 Å²	51	24%	0.24	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.9	178.1	0	0	0	0	0	111.5	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.99Å; A149-W157 WeakPolarHBondContact O-CA 3.29Å; A149-T158 PolarHBondContact N-O 3.36Å; A149-T158 PolarHBondContact O-N 3.32Å
150	L	98.8	Very high	98.3	Very high	14 Å²	14	49.8 Å²	49.8	7%	0.073	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.3	168.3	-176.1	67.6	0	0	0	108.5	N138 L154 W157 A177 L180 L184	N138-L150 HydrophobicContact CB-CB 3.95Å; N138-L150 HydrophobicContact CB-CD2 4.18Å; N138-L150 WeakPolarHBondContact O-CB 3.35Å; N138-L150 PolarHBondContact O-N 3.41Å; L150-L154 HydrophobicContact CD2-CD2 3.81Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; L150-W157 HydrophobicContact CB-CE3 4.08Å; L150-W157 HydrophobicContact CB-CH2 4.15Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.26Å; L150-W157 HydrophobicContact CD1-CE3 4.28Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.13Å; L150-W157 HydrophobicContact CG-CZ3 4.5Å; L150-A177 HydrophobicContact CD1-CB 4.02Å; L150-L180 HydrophobicContact CD2-CB 4.22Å; L150-L180 HydrophobicContact CD2-CD1 4.44Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å
151	N	98.5	Very high	98.2	Very high	44 Å²	44	51.8 Å²	51.8	24%	0.235	31%	0.306	C	S	.	.			trans	-72.7	164.1	-179.9	-67.5	-27.9	0	0	0	111.4	D153 L154 S156 W157 T158	N151-D153 PolarHBondContact O-N 3.48Å; N151-D153 VanDerWaalsContact O-N 3.08Å; N151-L154 PolarHBondContact O-N 2.61Å; N151-S156 WeakPolarHBondContact CB-O 3.03Å; N151-S156 WeakPolarHBondContact CB-OG 3.36Å; N151-S156 PolarHBondContact N-O 3.37Å; N151-S156 PolarHBondContact ND2-OG 2.91Å; N151-W157 PolarHBondContact ND2-N 3.15Å; N151-T158 PolarHBondContact ND2-OG1 3.13Å; N151-T158 WeakPolarHBondContact OD1-CB 3.18Å; N151-T158 PolarHBondContact OD1-OG1 2.84Å
152	E	97.3	Very high	98.2	Very high	134 Å²	134	56.2 Å²	56.2	63%	0.626	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.3	-178.8	-66.5	-179.5	-175	0	0	113.5	R135 L154	R135-E152 IonicContact CZ-OE1 3.71Å; R135-E152 IonicContact NH1-OE1 3.42Å; R135-E152 PolarHBondContact NH1-OE1 2.84Å; R135-E152 IonicContact NH2-OE1 3.54Å; R135-E152 PolarHBondContact NH2-OE1 3.46Å; E152-L154 PolarHBondContact O-N 3.45Å
153	D	97.4	Very high	98.2	Very high	81 Å²	81	56 Å²	56	43%	0.433	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-6.5	174.5	68.6	21.3	0	0	0	114.1	N151 S155 S156	N151-D153 PolarHBondContact O-N 3.48Å; N151-D153 VanDerWaalsContact O-N 3.08Å; D153-S155 PolarHBondContact O-N 2.99Å; D153-S155 VanDerWaalsContact O-N 3.15Å; D153-S155 WeakPolarHBondContact OD1-CA 3.02Å; D153-S155 PolarHBondContact OD1-N 2.96Å; D153-S155 PolarHBondContact OD1-OG 3.3Å; D153-S155 PolarHBondContact OD2-OG 3.29Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 3.46Å; D153-S156 PolarHBondContact OD1-OG 2.04Å; D153-S156 WeakPolarHBondContact OD2-CB 3.35Å; D153-S156 PolarHBondContact OD2-OG 3.45Å
154	L	97.9	Very high	98.2	Very high	11 Å²	11	53.1 Å²	53.1	6%	0.058	32%	0.317	C	S	.	.	S	Bend	trans	54	27.4	-177.3	-52.6	-178.3	0	0	0	114.2	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.27Å; L150-L154 HydrophobicContact CD2-CD2 3.81Å; L150-L154 HydrophobicContact CG-CD2 4.36Å; N151-L154 PolarHBondContact O-N 2.61Å; E152-L154 PolarHBondContact O-N 3.45Å; L154-R181 HydrophobicContact CB-CB 4.15Å; L154-R181 HydrophobicContact CB-CG 3.99Å; L154-R181 HydrophobicContact CD1-CG 4.33Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; L154-E185 HydrophobicContact CD1-CG 4.17Å
155	S	97.7	Very high	98.2	Very high	69 Å²	69	53.9 Å²	53.9	48%	0.483	30%	0.304	S	S	.	.	S	Bend	trans	-138.4	-26.6	-174.9	70	0	0	0	0	113.6	D153	D153-S155 PolarHBondContact O-N 2.99Å; D153-S155 VanDerWaalsContact O-N 3.15Å; D153-S155 WeakPolarHBondContact OD1-CA 3.02Å; D153-S155 PolarHBondContact OD1-N 2.96Å; D153-S155 PolarHBondContact OD1-OG 3.3Å; D153-S155 PolarHBondContact OD2-OG 3.29Å
156	S	97.9	Very high	98.2	Very high	39 Å²	39	49.4 Å²	49.4	27%	0.273	29%	0.287	S	S	.	.			trans	-118.3	164.5	-178.1	70.5	0	0	0	0	112.3	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.03Å; N151-S156 WeakPolarHBondContact CB-OG 3.36Å; N151-S156 PolarHBondContact N-O 3.37Å; N151-S156 PolarHBondContact ND2-OG 2.91Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 3.46Å; D153-S156 PolarHBondContact OD1-OG 2.04Å; D153-S156 WeakPolarHBondContact OD2-CB 3.35Å; D153-S156 PolarHBondContact OD2-OG 3.45Å
157	W	98.7	Very high	98.2	Very high	13 Å²	13	43.9 Å²	43.9	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.4	-173.8	-61.4	95.3	0	0	0	111.6	I148 A149 L150 N151 Q168 W171 V176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.29Å; I148-W157 HydrophobicContact CD1-CD2 4.37Å; I148-W157 HydrophobicContact CD1-CE3 4.14Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.41Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; A149-W157 WeakPolarHBondContact O-CA 3.29Å; L150-W157 HydrophobicContact CB-CE3 4.08Å; L150-W157 HydrophobicContact CB-CH2 4.15Å; L150-W157 HydrophobicContact CB-CZ3 3.67Å; L150-W157 HydrophobicContact CD1-CD2 4.26Å; L150-W157 HydrophobicContact CD1-CE3 4.28Å; L150-W157 HydrophobicContact CD1-CH2 3.99Å; L150-W157 HydrophobicContact CD1-CZ2 3.94Å; L150-W157 HydrophobicContact CD1-CZ3 4.13Å; L150-W157 HydrophobicContact CG-CZ3 4.5Å; N151-W157 PolarHBondContact ND2-N 3.15Å; W157-Q168 HydrophobicContact CB-CG 4.05Å; W157-Q168 PolarHBondContact O-NE2 3.13Å; W157-W171 HydrophobicContact CD2-CE3 4.09Å; W157-W171 AromaticContact CE2-CE3 3.87Å; W157-W171 AromaticContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CZ3 4.04Å; W157-W171 HydrophobicContact CH2-CD2 4.4Å; W157-W171 AromaticContact CH2-CE3 3.21Å; W157-W171 HydrophobicContact CH2-CE3 3.21Å; W157-W171 HydrophobicContact CH2-CH2 4.46Å; W157-W171 AromaticContact CH2-CZ3 3.25Å; W157-W171 HydrophobicContact CH2-CZ3 3.25Å; W157-W171 HydrophobicContact CZ2-CD2 4.37Å; W157-W171 AromaticContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CE3 3.45Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.48Å; W157-W171 HydrophobicContact CZ3-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.48Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; W157-V176 HydrophobicContact CH2-CG1 4.45Å; W157-V176 HydrophobicContact CZ2-CB 4.29Å; W157-V176 HydrophobicContact CZ2-CG1 4.09Å; W157-A177 HydrophobicContact CZ2-CB 4.15Å; W157-L180 HydrophobicContact CH2-CD1 3.39Å; W157-L180 HydrophobicContact CZ2-CD1 3.94Å; W157-L180 HydrophobicContact CZ3-CD1 4.46Å
158	T	98.7	Very high	98.2	Very high	78 Å²	78	45.7 Å²	45.7	48%	0.479	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	115.9	165.5	-65.8	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.39Å; A149-T158 PolarHBondContact N-O 3.36Å; A149-T158 PolarHBondContact O-N 3.32Å; N151-T158 PolarHBondContact ND2-OG1 3.13Å; N151-T158 WeakPolarHBondContact OD1-CB 3.18Å; N151-T158 PolarHBondContact OD1-OG1 2.84Å
159	A	98.6	Very high	98.2	Very high	22 Å²	22	53 Å²	53	18%	0.182	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.5	175.1	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.77Å; A159-Q165 HydrophobicContact CB-CG 3.96Å; A159-Q168 HydrophobicContact CB-CB 4.4Å
160	A	98.4	Very high	98.2	Very high	62 Å²	62	57.1 Å²	57.1	51%	0.512	31%	0.306	S	S	.	.	S	Bend	trans	-75	-31.1	-175.8	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.42Å; D146-A160 WeakPolarHBondContact O-CB 3.4Å; Y147-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 PolarHBondContact O-N 3.5Å
161	D	98.1	Very high	98.2	Very high	51 Å²	51	59.3 Å²	59.3	27%	0.273	31%	0.314	S	S	.	.	S	Bend	trans	-151	-175.6	-178	66.2	28.8	0	0	0	113.1	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.47Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.32Å; Y109-D161 VanDerWaalsContact OH-CG 3.26Å; Y109-D161 PolarHBondContact OH-OD1 2.94Å; Y109-D161 PolarHBondContact OH-OD2 3.46Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.4Å; D161-A163 WeakPolarHBondContact OD1-CA 3.49Å; D161-A163 WeakPolarHBondContact OD1-CB 3.5Å; D161-A163 PolarHBondContact OD1-N 2.97Å; D161-A164 PolarHBondContact O-N 3.5Å; D161-A164 PolarHBondContact OD1-N 3.49Å; D161-Q165 WeakPolarHBondContact O-CG 3.49Å; D161-Q165 PolarHBondContact O-N 2.87Å
162	T	98	Very high	98.2	Very high	110 Å²	110	61.6 Å²	61.6	68%	0.675	32%	0.323	S	S	*	.	H	α-helix	trans	-66.4	-28	-178.8	49.6	0	0	0	0	113.6
163	A	97.7	Very high	98.2	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.033	33%	0.328	C	S	.	.	H	α-helix	trans	-72.4	-44.6	174.6	0	0	0	0	0	110.4	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.16Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.9Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; Y147-A163 HydrophobicContact CE2-CB 4.47Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.4Å; D161-A163 WeakPolarHBondContact OD1-CA 3.49Å; D161-A163 WeakPolarHBondContact OD1-CB 3.5Å; D161-A163 PolarHBondContact OD1-N 2.97Å; A163-Q165 VanDerWaalsContact C-N 3.29Å; A163-Q165 PolarHBondContact O-N 3.42Å; A163-I166 VanDerWaalsContact O-CB 3.31Å; A163-I166 WeakPolarHBondContact O-CB 3.32Å; A163-I166 PolarHBondContact O-N 2.92Å; A163-I166 VanDerWaalsContact O-N 3.08Å
164	A	98.2	Very high	98.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-35.1	174.3	0	0	0	0	0	112.7	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD1-CB 4.47Å; Y147-A164 HydrophobicContact CD2-CB 3.91Å; Y147-A164 HydrophobicContact CE1-CB 4.39Å; Y147-A164 HydrophobicContact CE2-CB 3.83Å; Y147-A164 HydrophobicContact CG-CB 4.24Å; Y147-A164 WeakPolarHBondContact O-CB 3.35Å; A159-A164 HydrophobicContact CB-CB 3.77Å; D161-A164 PolarHBondContact O-N 3.5Å; D161-A164 PolarHBondContact OD1-N 3.49Å; A164-I166 PolarHBondContact O-N 2.93Å; A164-T167 WeakPolarHBondContact O-CA 3.5Å; A164-T167 WeakPolarHBondContact O-CB 3.22Å; A164-T167 PolarHBondContact O-N 2.92Å; A164-Q168 PolarHBondContact O-N 3.14Å
165	Q	98.6	Very high	98.3	Very high	77 Å²	77	65.5 Å²	65.5	36%	0.36	36%	0.357	S	S	.	.	H	α-helix	trans	-59.3	-29.2	173.9	-75	173.4	11.5	0	0	113.1	A159 D161 A163 T167 R169	A159-Q165 HydrophobicContact CB-CG 3.96Å; D161-Q165 WeakPolarHBondContact O-CG 3.49Å; D161-Q165 PolarHBondContact O-N 2.87Å; A163-Q165 VanDerWaalsContact C-N 3.29Å; A163-Q165 PolarHBondContact O-N 3.42Å; Q165-T167 VanDerWaalsContact C-N 3.33Å; Q165-R169 WeakPolarHBondContact O-CG 3.26Å; Q165-R169 PolarHBondContact O-N 3.35Å; Q165-R169 VanDerWaalsContact O-N 3.11Å
166	I	98.2	Very high	98.3	Very high	63 Å²	63	63.5 Å²	63.5	32%	0.323	34%	0.342	S	S	.	.	H	α-helix	trans	-65.9	-41.2	173.8	-57.2	169.1	0	0	0	109.9	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.18Å; Y108-I166 HydrophobicContact CE1-CD1 4.28Å; Y108-I166 HydrophobicContact CE1-CG2 4.13Å; Y108-I166 HydrophobicContact CE2-CB 4.11Å; Y108-I166 HydrophobicContact CE2-CG2 4Å; Y108-I166 HydrophobicContact CG-CD1 4.3Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.41Å; A163-I166 VanDerWaalsContact O-CB 3.31Å; A163-I166 WeakPolarHBondContact O-CB 3.32Å; A163-I166 PolarHBondContact O-N 2.92Å; A163-I166 VanDerWaalsContact O-N 3.08Å; A164-I166 PolarHBondContact O-N 2.93Å; I166-K170 WeakPolarHBondContact O-CG 3.37Å; I166-K170 PolarHBondContact O-N 3.38Å
167	T	97.9	Very high	98.3	Very high	14 Å²	14	62.1 Å²	62.1	9%	0.086	33%	0.333	C	S	.	.	H	α-helix	trans	-68	-44.3	176.5	-58.8	0	0	0	0	111	Y147 I148 A164 Q165 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.24Å; Y147-T167 PolarHBondContact OH-OG1 3.44Å; I148-T167 HydrophobicContact CD1-CG2 4.35Å; A164-T167 WeakPolarHBondContact O-CA 3.5Å; A164-T167 WeakPolarHBondContact O-CB 3.22Å; A164-T167 PolarHBondContact O-N 2.92Å; Q165-T167 VanDerWaalsContact C-N 3.33Å; T167-R169 PolarHBondContact O-N 3.04Å; T167-K170 WeakPolarHBondContact O-CB 3.17Å; T167-K170 PolarHBondContact O-N 3.48Å; T167-K170 VanDerWaalsContact O-N 3.13Å; T167-W171 HydrophobicContact CG2-CD2 3.89Å; T167-W171 HydrophobicContact CG2-CE3 4.46Å; T167-W171 HydrophobicContact CG2-CG 4.16Å; T167-W171 HydrophobicContact CG2-CZ2 4.12Å; T167-W171 WeakPolarHBondContact O-CB 3.46Å; T167-W171 PolarHBondContact O-N 2.83Å
168	Q	98.6	Very high	98.3	Very high	40 Å²	40	66.6 Å²	66.6	19%	0.187	36%	0.355	C	S	.	.	H	α-helix	trans	-51.4	-53.9	175.6	176.9	174.8	12	0	0	111.6	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.88Å; W157-Q168 HydrophobicContact CB-CG 4.05Å; W157-Q168 PolarHBondContact O-NE2 3.13Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A164-Q168 PolarHBondContact O-N 3.14Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.87Å; Q168-W171 PolarHBondContact O-N 3.36Å; Q168-W171 VanDerWaalsContact O-N 3.09Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.22Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.4Å; Q168-E172 PolarHBondContact NE2-OE1 2.84Å; Q168-E172 WeakPolarHBondContact O-CB 3.18Å; Q168-E172 WeakPolarHBondContact O-CG 3.36Å; Q168-E172 PolarHBondContact O-N 3.42Å
169	R	98.6	Very high	98.2	Very high	159 Å²	159	69.5 Å²	69.5	60%	0.6	36%	0.363	S	S	*	.	H	α-helix	trans	-59.2	-39.1	-180	-68.4	172.2	-166.5	157.9	7.7	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.26Å; Q165-R169 PolarHBondContact O-N 3.35Å; Q165-R169 VanDerWaalsContact O-N 3.11Å; T167-R169 PolarHBondContact O-N 3.04Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 3.32Å
170	K	98.1	Very high	98.2	Very high	114 Å²	114	70 Å²	70	50%	0.496	36%	0.362	S	S	.	.	H	α-helix	trans	-65.7	-43.2	176.3	-73.3	177.8	172.9	-171.3	0	111.5	Y108 I166 T167 Q168 A174	Y108-K170 WeakPolarHBondContact OH-CE 3.3Å; Y108-K170 PolarHBondContact OH-NZ 3.07Å; I166-K170 WeakPolarHBondContact O-CG 3.37Å; I166-K170 PolarHBondContact O-N 3.38Å; T167-K170 WeakPolarHBondContact O-CB 3.17Å; T167-K170 PolarHBondContact O-N 3.48Å; T167-K170 VanDerWaalsContact O-N 3.13Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.87Å; K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.22Å; K170-A174 PolarHBondContact O-N 3.05Å
171	W	98.3	Very high	98.2	Very high	60 Å²	60	72.1 Å²	72.1	23%	0.227	36%	0.357	C	S	.	.	H	α-helix	trans	-71.4	-36.6	-178.5	-77.2	12.5	0	0	0	112.5	L140 I148 W157 T167 Q168 A174 R175 V176	L140-W171 HydrophobicContact CD1-CH2 4Å; L140-W171 HydrophobicContact CD1-CZ3 4.39Å; L140-W171 HydrophobicContact CD2-CH2 3.82Å; L140-W171 HydrophobicContact CD2-CZ2 4.43Å; I148-W171 HydrophobicContact CD1-CE3 4.22Å; I148-W171 HydrophobicContact CG2-CH2 4.28Å; I148-W171 HydrophobicContact CG2-CZ3 3.93Å; W157-W171 HydrophobicContact CD2-CE3 4.09Å; W157-W171 AromaticContact CE2-CE3 3.87Å; W157-W171 AromaticContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CE3 3.89Å; W157-W171 HydrophobicContact CE3-CZ3 4.04Å; W157-W171 HydrophobicContact CH2-CD2 4.4Å; W157-W171 AromaticContact CH2-CE3 3.21Å; W157-W171 HydrophobicContact CH2-CE3 3.21Å; W157-W171 HydrophobicContact CH2-CH2 4.46Å; W157-W171 AromaticContact CH2-CZ3 3.25Å; W157-W171 HydrophobicContact CH2-CZ3 3.25Å; W157-W171 HydrophobicContact CZ2-CD2 4.37Å; W157-W171 AromaticContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CE3 3.45Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.45Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.48Å; W157-W171 HydrophobicContact CZ3-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.48Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; T167-W171 HydrophobicContact CG2-CD2 3.89Å; T167-W171 HydrophobicContact CG2-CE3 4.46Å; T167-W171 HydrophobicContact CG2-CG 4.16Å; T167-W171 HydrophobicContact CG2-CZ2 4.12Å; T167-W171 WeakPolarHBondContact O-CB 3.46Å; T167-W171 PolarHBondContact O-N 2.83Å; Q168-W171 PolarHBondContact O-N 3.36Å; Q168-W171 VanDerWaalsContact O-N 3.09Å; W171-A174 CarbonylContact O-C 3.47Å; W171-A174 PolarHBondContact O-N 2.8Å; W171-R175 PolarHBondContact O-N 2.74Å; W171-V176 HydrophobicContact CB-CB 3.98Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CB 4.41Å; W171-V176 HydrophobicContact CD2-CG1 4.18Å; W171-V176 HydrophobicContact CD2-CG2 4.46Å; W171-V176 HydrophobicContact CE3-CG1 4.36Å; W171-V176 HydrophobicContact CG-CB 4.1Å; W171-V176 HydrophobicContact CG-CG1 4.37Å; W171-V176 HydrophobicContact CG-CG2 3.85Å; W171-V176 PolarHBondContact O-N 2.87Å
172	E	98.6	Very high	98.2	Very high	93 Å²	93	72.8 Å²	72.8	44%	0.435	37%	0.369	S	S	.	.	H	α-helix	trans	-63.8	-48.6	171.3	-72.8	169.4	174.5	0	0	111	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.22Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.4Å; Q168-E172 PolarHBondContact NE2-OE1 2.84Å; Q168-E172 WeakPolarHBondContact O-CB 3.18Å; Q168-E172 WeakPolarHBondContact O-CG 3.36Å; Q168-E172 PolarHBondContact O-N 3.42Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 2.92Å; E172-R175 PolarHBondContact O-N 3.18Å
173	A	98.4	Very high	98.2	Very high	89 Å²	89	70.4 Å²	70.4	74%	0.736	35%	0.348	S	S	*	.	H	α-helix	trans	-61	-35.4	177.2	0	0	0	0	0	112.7	R169	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.39Å; R169-A173 PolarHBondContact O-N 3.32Å
174	A	98.2	Very high	98.3	Very high	61 Å²	61	70.2 Å²	70.2	50%	0.504	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	2.1	177.3	0	0	0	0	0	114.1	K170 W171 E172 V176	K170-A174 VanDerWaalsContact O-CB 3.29Å; K170-A174 WeakPolarHBondContact O-CB 3.22Å; K170-A174 PolarHBondContact O-N 3.05Å; W171-A174 CarbonylContact O-C 3.47Å; W171-A174 PolarHBondContact O-N 2.8Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 2.92Å; A174-V176 VanDerWaalsContact C-N 3.25Å; A174-V176 HydrophobicContact CB-CG2 4.06Å; A174-V176 PolarHBondContact O-N 3.35Å
175	R	98	Very high	98.3	Very high	157 Å²	157	74.4 Å²	74.4	59%	0.592	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	39.6	-179	-62.1	174	171.1	-132.7	7.2	113.9	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 2.74Å; E172-R175 PolarHBondContact O-N 3.18Å; R175-A177 PolarHBondContact O-N 3.44Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.36Å; R175-E178 IonicContact CZ-OE1 2.91Å; R175-E178 IonicContact NE-OE1 3.38Å; R175-E178 IonicContact NH1-OE1 3.62Å; R175-E178 PolarHBondContact NH1-OE1 3.39Å; R175-E178 IonicContact NH1-OE2 3.75Å; R175-E178 PolarHBondContact O-N 3.47Å; R175-E178 VanDerWaalsContact O-N 3.13Å
176	V	98.4	Very high	98.2	Very high	28 Å²	28	71.9 Å²	71.9	17%	0.17	36%	0.361	C	S	.	.	H	α-helix	trans	-59.8	-33.7	-177.8	175.6	0	0	0	0	111.9	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CH2-CG1 4.45Å; W157-V176 HydrophobicContact CZ2-CB 4.29Å; W157-V176 HydrophobicContact CZ2-CG1 4.09Å; W171-V176 HydrophobicContact CB-CB 3.98Å; W171-V176 HydrophobicContact CB-CG2 3.92Å; W171-V176 HydrophobicContact CD2-CB 4.41Å; W171-V176 HydrophobicContact CD2-CG1 4.18Å; W171-V176 HydrophobicContact CD2-CG2 4.46Å; W171-V176 HydrophobicContact CE3-CG1 4.36Å; W171-V176 HydrophobicContact CG-CB 4.1Å; W171-V176 HydrophobicContact CG-CG1 4.37Å; W171-V176 HydrophobicContact CG-CG2 3.85Å; W171-V176 PolarHBondContact O-N 2.87Å; A174-V176 VanDerWaalsContact C-N 3.25Å; A174-V176 HydrophobicContact CB-CG2 4.06Å; A174-V176 PolarHBondContact O-N 3.35Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 2.97Å; V176-Q179 PolarHBondContact O-N 2.98Å; V176-L180 HydrophobicContact CG1-CD1 3.93Å; V176-L180 HydrophobicContact CG1-CG 4.26Å; V176-L180 PolarHBondContact O-N 3.32Å; V176-L180 VanDerWaalsContact O-N 3.09Å
177	A	98.4	Very high	98.2	Very high	9 Å²	9	71.7 Å²	71.7	7%	0.074	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-37	178.1	0	0	0	0	0	112.7	L150 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 4.02Å; W157-A177 HydrophobicContact CZ2-CB 4.15Å; R175-A177 PolarHBondContact O-N 3.44Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 2.83Å; A177-L180 PolarHBondContact O-N 3.38Å; A177-R181 WeakPolarHBondContact O-CB 3.48Å; A177-R181 PolarHBondContact O-N 3.47Å
178	E	98.1	Very high	98.2	Very high	108 Å²	108	71 Å²	71	51%	0.505	36%	0.359	S	S	.	.	H	α-helix	trans	-63.2	-40.1	178.5	-63.5	177.7	-165.1	0	0	111.4	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 WeakPolarHBondContact CD-OE1 3.36Å; R175-E178 IonicContact CZ-OE1 2.91Å; R175-E178 IonicContact NE-OE1 3.38Å; R175-E178 IonicContact NH1-OE1 3.62Å; R175-E178 PolarHBondContact NH1-OE1 3.39Å; R175-E178 IonicContact NH1-OE2 3.75Å; R175-E178 PolarHBondContact O-N 3.47Å; R175-E178 VanDerWaalsContact O-N 3.13Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 2.97Å; E178-A182 WeakPolarHBondContact O-CB 3.43Å; E178-A182 PolarHBondContact O-N 3.1Å
179	Q	97.5	Very high	98.2	Very high	139 Å²	139	69.4 Å²	69.4	65%	0.65	35%	0.351	S	S	*	.	H	α-helix	trans	-68.8	-44	177.8	-62.5	-179.6	-2.1	0	0	111.9	V176 A177 A182 Y183	V176-Q179 PolarHBondContact O-N 2.98Å; A177-Q179 VanDerWaalsContact C-N 3.33Å; A177-Q179 PolarHBondContact O-N 2.83Å; Q179-A182 PolarHBondContact O-N 2.96Å; Q179-Y183 PolarHBondContact O-N 2.9Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å
180	L	98.1	Very high	98.2	Very high	33 Å²	33	67.7 Å²	67.7	17%	0.173	35%	0.35	C	S	.	.	H	α-helix	trans	-65.1	-42.5	177.6	-71.2	174.1	0	0	0	111.4	N138 L150 W157 V176 A177 A182 Y183 L184	N138-L180 HydrophobicContact CB-CD1 4.24Å; L150-L180 HydrophobicContact CD2-CB 4.22Å; L150-L180 HydrophobicContact CD2-CD1 4.44Å; W157-L180 HydrophobicContact CH2-CD1 3.39Å; W157-L180 HydrophobicContact CZ2-CD1 3.94Å; W157-L180 HydrophobicContact CZ3-CD1 4.46Å; V176-L180 HydrophobicContact CG1-CD1 3.93Å; V176-L180 HydrophobicContact CG1-CG 4.26Å; V176-L180 PolarHBondContact O-N 3.32Å; V176-L180 VanDerWaalsContact O-N 3.09Å; A177-L180 PolarHBondContact O-N 3.38Å; L180-A182 PolarHBondContact O-N 3.35Å; L180-Y183 PolarHBondContact O-N 3.44Å; L180-L184 WeakPolarHBondContact O-CB 3.36Å; L180-L184 WeakPolarHBondContact O-CG 3.05Å; L180-L184 PolarHBondContact O-N 2.95Å
181	R	98.3	Very high	98.2	Very high	106 Å²	106	64.6 Å²	64.6	40%	0.4	34%	0.336	S	S	.	.	H	α-helix	trans	-57.9	-48.1	174.4	-178.2	178.9	176.6	159.7	13.5	111.4	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.15Å; L154-R181 HydrophobicContact CB-CG 3.99Å; L154-R181 HydrophobicContact CD1-CG 4.33Å; A177-R181 WeakPolarHBondContact O-CB 3.48Å; A177-R181 PolarHBondContact O-N 3.47Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.06Å; R181-L184 PolarHBondContact O-N 2.94Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 WeakPolarHBondContact CG-OE2 3.49Å; R181-E185 IonicContact CZ-OE1 3.35Å; R181-E185 IonicContact CZ-OE2 2.79Å; R181-E185 VanDerWaalsContact NE-CD 3.26Å; R181-E185 IonicContact NE-OE1 3.26Å; R181-E185 PolarHBondContact NE-OE1 2.91Å; R181-E185 IonicContact NE-OE2 3.18Å; R181-E185 PolarHBondContact NE-OE2 2.89Å; R181-E185 IonicContact NH2-OE1 2.64Å; R181-E185 PolarHBondContact NH2-OE1 2.98Å; R181-E185 IonicContact NH2-OE2 2.76Å; R181-E185 WeakPolarHBondContact O-CB 3.26Å; R181-E185 PolarHBondContact O-N 2.97Å
182	A	98.4	Very high	98.2	Very high	64 Å²	64	61.8 Å²	61.8	53%	0.529	33%	0.325	S	S	.	.	H	α-helix	trans	-59	-39.9	177.7	0	0	0	0	0	112.5	E178 Q179 L180 G186	E178-A182 WeakPolarHBondContact O-CB 3.43Å; E178-A182 PolarHBondContact O-N 3.1Å; Q179-A182 PolarHBondContact O-N 2.96Å; L180-A182 PolarHBondContact O-N 3.35Å; A182-G186 PolarHBondContact O-N 2.83Å; A182-G186 VanDerWaalsContact O-N 3.13Å
183	Y	98.3	Very high	98.2	Very high	60 Å²	60	63.1 Å²	63.1	24%	0.235	33%	0.326	C	S	.	.	I	π-helix	trans	-66.2	-46.9	173.7	171.3	-93.8	0	0	0	112.3	Y123 Q179 L180 R181 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.86Å; Y123-Y183 HydrophobicContact CD2-CE1 3.86Å; Y123-Y183 AromaticContact CE2-CE1 3.69Å; Y123-Y183 HydrophobicContact CE2-CE1 3.69Å; Y123-Y183 AromaticContact CE2-CZ 3.89Å; Q179-Y183 PolarHBondContact O-N 2.9Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å; L180-Y183 PolarHBondContact O-N 3.44Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.06Å; Y183-T187 HydrophobicContact CD2-CG2 3.91Å; Y183-T187 HydrophobicContact CE2-CG2 3.73Å; Y183-T187 PolarHBondContact O-N 3.01Å; Y183-T187 VanDerWaalsContact O-N 3.15Å; Y183-C188 HydrophobicContact CD1-CB 4.3Å; Y183-C188 HydrophobicContact CE1-CB 3.85Å; Y183-C188 WeakPolarHBondContact O-CB 3.38Å; Y183-C188 PolarHBondContact O-N 2.8Å
184	L	98.5	Very high	98.1	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	31%	0.313	C	S	.	.	I	π-helix	trans	-70.5	-39.1	-174.3	-70.5	170.7	0	0	0	112.6	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.45Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; L180-L184 WeakPolarHBondContact O-CB 3.36Å; L180-L184 WeakPolarHBondContact O-CG 3.05Å; L180-L184 PolarHBondContact O-N 2.95Å; R181-L184 PolarHBondContact O-N 2.94Å; L184-V189 WeakPolarHBondContact O-CG2 3.16Å
185	E	98.1	Very high	98.1	Very high	88 Å²	88	61.9 Å²	61.9	41%	0.411	29%	0.289	S	S	.	.	I	π-helix	trans	-80	-25.8	177.7	-69.4	-180	159.8	0	0	113	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.68Å; L154-E185 HydrophobicContact CD1-CG 4.17Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 WeakPolarHBondContact CG-OE2 3.49Å; R181-E185 IonicContact CZ-OE1 3.35Å; R181-E185 IonicContact CZ-OE2 2.79Å; R181-E185 VanDerWaalsContact NE-CD 3.26Å; R181-E185 IonicContact NE-OE1 3.26Å; R181-E185 PolarHBondContact NE-OE1 2.91Å; R181-E185 IonicContact NE-OE2 3.18Å; R181-E185 PolarHBondContact NE-OE2 2.89Å; R181-E185 IonicContact NH2-OE1 2.64Å; R181-E185 PolarHBondContact NH2-OE1 2.98Å; R181-E185 IonicContact NH2-OE2 2.76Å; R181-E185 WeakPolarHBondContact O-CB 3.26Å; R181-E185 PolarHBondContact O-N 2.97Å
186	G	98	Very high	98.1	Very high	24 Å²	24	55.1 Å²	55.1	25%	0.247	27%	0.265	C	S	.	.	I	π-helix	trans	-106.7	-92.7	-179.1	0	0	0	0	0	112.5	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.83Å; A182-G186 VanDerWaalsContact O-N 3.13Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 2.87Å; G186-V189 WeakPolarHBondContact O-CB 3.48Å; G186-V189 PolarHBondContact O-N 3.16Å; G186-E190 PolarHBondContact O-N 3.4Å
187	T	98.1	Very high	98	Very high	58 Å²	58	59.6 Å²	59.6	36%	0.356	28%	0.284	S	S	.	.	I	π-helix	trans	-49.1	-46.7	-171.8	-54.5	0	0	0	0	113.3	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.91Å; Y183-T187 HydrophobicContact CE2-CG2 3.73Å; Y183-T187 PolarHBondContact O-N 3.01Å; Y183-T187 VanDerWaalsContact O-N 3.15Å; T187-V189 PolarHBondContact O-N 3.44Å; T187-E190 PolarHBondContact O-N 2.79Å; T187-W191 VanDerWaalsContact CG2-CD1 3.48Å; T187-W191 WeakPolarHBondContact O-CB 3.44Å; T187-W191 PolarHBondContact O-N 3.43Å
188	C	98.5	Very high	97.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-47.2	-178.9	-171.1	0	0	0	0	111.7	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.17Å; M29-C188 VanDerWaalsContact CE-O 3.23Å; M29-C188 WeakPolarHBondContact CE-O 3.49Å; M29-C188 WeakPolarHBondContact CE-SG 3.3Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.5Å; C125-C188 PolarHBondContact N-SG 3.2Å; C125-C188 WeakPolarHBondContact SG-CB 3.35Å; C125-C188 PolarHBondContact SG-O 3.41Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.31Å; Y183-C188 HydrophobicContact CD1-CB 4.3Å; Y183-C188 HydrophobicContact CE1-CB 3.85Å; Y183-C188 WeakPolarHBondContact O-CB 3.38Å; Y183-C188 PolarHBondContact O-N 2.8Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 2.87Å; C188-W191 PolarHBondContact O-N 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.38Å; C188-L192 PolarHBondContact O-N 3.39Å
189	V	98.3	Very high	97.8	Very high	6 Å²	6	56.6 Å²	56.6	4%	0.036	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-44.6	179.1	174.1	0	0	0	0	110.9	L127 L133 L184 G186 T187 R193	L127-V189 HydrophobicContact CD1-CG1 4.49Å; L127-V189 HydrophobicContact CD2-CB 4.2Å; L127-V189 HydrophobicContact CD2-CG1 3.83Å; L127-V189 HydrophobicContact CD2-CG2 3.82Å; L133-V189 HydrophobicContact CB-CG2 4.02Å; L133-V189 HydrophobicContact CD1-CG2 3.99Å; L184-V189 WeakPolarHBondContact O-CG2 3.16Å; G186-V189 WeakPolarHBondContact O-CB 3.48Å; G186-V189 PolarHBondContact O-N 3.16Å; T187-V189 PolarHBondContact O-N 3.44Å; V189-R193 VanDerWaalsContact CG1-CZ 3.42Å; V189-R193 WeakPolarHBondContact O-CG 3.47Å; V189-R193 PolarHBondContact O-N 2.95Å
190	E	98.2	Very high	97.6	Very high	124 Å²	124	55.1 Å²	55.1	58%	0.579	26%	0.262	S	S	*	.	H	α-helix	trans	-62.1	-47.3	179.4	-70.8	177.8	175.6	0	0	112.2	G186 T187 R193 R194	G186-E190 PolarHBondContact O-N 3.4Å; T187-E190 PolarHBondContact O-N 2.79Å; E190-R193 PolarHBondContact O-N 3.5Å; E190-R194 PolarHBondContact O-N 2.92Å; E190-R194 VanDerWaalsContact O-N 3.08Å
191	W	98.3	Very high	97.4	Very high	49 Å²	49	61.5 Å²	61.5	19%	0.186	29%	0.291	C	S	.	.	H	α-helix	trans	-67.6	-41.4	178.8	-81.4	101.7	0	0	0	112.3	M29 Y83 R86 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.09Å; M29-W191 HydrophobicContact SD-CB 4.48Å; Y83-W191 AromaticContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CH2 3.53Å; Y83-W191 HydrophobicContact CD2-CZ2 4.25Å; Y83-W191 AromaticContact CD2-CZ3 3.76Å; Y83-W191 HydrophobicContact CD2-CZ3 3.76Å; Y83-W191 HydrophobicContact CE2-CE3 4.22Å; Y83-W191 AromaticContact CE2-CH2 3.89Å; Y83-W191 HydrophobicContact CE2-CH2 3.89Å; Y83-W191 AromaticContact CE2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CZ3 3.72Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.31Å; T187-W191 VanDerWaalsContact CG2-CD1 3.48Å; T187-W191 WeakPolarHBondContact O-CB 3.44Å; T187-W191 PolarHBondContact O-N 3.43Å; C188-W191 PolarHBondContact O-N 3.31Å; W191-R193 PolarHBondContact O-N 2.86Å; W191-R194 WeakPolarHBondContact O-CB 3.44Å; W191-R194 PolarHBondContact O-N 3.34Å; W191-Y195 HydrophobicContact CB-CE2 4.11Å; W191-Y195 HydrophobicContact CE3-CD1 4.38Å; W191-Y195 AromaticContact CE3-CE1 3.44Å; W191-Y195 HydrophobicContact CE3-CE1 3.44Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.44Å; W191-Y195 HydrophobicContact CE3-CE2 4.38Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 WeakPolarHBondContact O-CD2 3.45Å; W191-Y195 PolarHBondContact O-N 3.34Å
192	L	98.4	Very high	97.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-44.4	176.5	174.9	51.2	0	0	0	111.3	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.5Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.94Å; M29-L192 HydrophobicContact CB-CG 4.22Å; M29-L192 HydrophobicContact CE-CB 4.33Å; M29-L192 HydrophobicContact SD-CB 4.45Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.23Å; L127-L192 HydrophobicContact CB-CD2 4.48Å; L127-L192 HydrophobicContact CD1-CB 4.21Å; L127-L192 HydrophobicContact CD1-CD2 3.65Å; L127-L192 HydrophobicContact CD1-CG 3.72Å; L127-L192 HydrophobicContact CG-CD2 3.56Å; L127-L192 HydrophobicContact CG-CG 4.23Å; C188-L192 WeakPolarHBondContact O-CB 3.38Å; C188-L192 PolarHBondContact O-N 3.39Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.23Å; L192-Y195 PolarHBondContact O-N 2.9Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.38Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 2.97Å
193	R	97.3	Very high	96.8	Very high	122 Å²	122	55.6 Å²	55.6	46%	0.46	26%	0.26	S	S	.	.	H	α-helix	trans	-59.4	-43.7	174.2	-72.2	177	-173.2	152.5	-0.6	112.3	L127 G131 V189 E190 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.95Å; G131-R193 VanDerWaalsContact O-CZ 3.26Å; G131-R193 PolarHBondContact O-NE 2.8Å; G131-R193 PolarHBondContact O-NH2 3.3Å; V189-R193 VanDerWaalsContact CG1-CZ 3.42Å; V189-R193 WeakPolarHBondContact O-CG 3.47Å; V189-R193 PolarHBondContact O-N 2.95Å; E190-R193 PolarHBondContact O-N 3.5Å; W191-R193 PolarHBondContact O-N 2.86Å; R193-L196 PolarHBondContact O-N 2.82Å; R193-E197 PolarHBondContact O-N 2.9Å
194	R	97.5	Very high	96.5	Very high	121 Å²	121	57.1 Å²	57.1	46%	0.457	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-45	176.1	178.7	-179	174	111.3	-6.3	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.35Å; E79-R194 IonicContact OE1-NE 2.93Å; E79-R194 PolarHBondContact OE1-NE 3.08Å; E79-R194 IonicContact OE1-NH2 2.76Å; E79-R194 PolarHBondContact OE1-NH2 2.97Å; E79-R194 IonicContact OE2-CZ 3.7Å; E79-R194 IonicContact OE2-NE 2.92Å; E79-R194 IonicContact OE2-NH2 3.38Å; E79-R194 PolarHBondContact OE2-NH2 3.09Å; E190-R194 PolarHBondContact O-N 2.92Å; E190-R194 VanDerWaalsContact O-N 3.08Å; W191-R194 WeakPolarHBondContact O-CB 3.44Å; W191-R194 PolarHBondContact O-N 3.34Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.23Å; R194-E197 PolarHBondContact O-N 2.99Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.47Å; R194-N198 PolarHBondContact O-N 3.13Å; R194-N198 PolarHBondContact O-OD1 3.45Å
195	Y	97.9	Very high	96.3	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-66.4	-39.3	178.8	-62.1	-25.9	0	0	0	112.7	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.52Å; M29-Y195 VanDerWaalsContact SD-CE2 3.52Å; V52-Y195 HydrophobicContact CG2-CD2 3.92Å; V52-Y195 HydrophobicContact CG2-CG 4.47Å; F57-Y195 HydrophobicContact CD2-CE2 4.42Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CE2-CE2 3.62Å; F57-Y195 AromaticContact CE2-CZ 3.95Å; F57-Y195 HydrophobicContact CZ-CD2 4.29Å; F57-Y195 AromaticContact CZ-CE2 3.77Å; F57-Y195 HydrophobicContact CZ-CE2 3.77Å; W75-Y195 HydrophobicContact CE3-CD1 4.5Å; W75-Y195 HydrophobicContact CH2-CG 4.24Å; W75-Y195 AromaticContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD2 4.35Å; W75-Y195 AromaticContact CZ3-CG 3.69Å; W75-Y195 HydrophobicContact CZ3-CG 3.69Å; I76-Y195 HydrophobicContact CD1-CD1 3.84Å; I76-Y195 HydrophobicContact CD1-CE1 3.3Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.23Å; Y83-Y195 PolarHBondContact OH-OH 2.87Å; W191-Y195 HydrophobicContact CB-CE2 4.11Å; W191-Y195 HydrophobicContact CE3-CD1 4.38Å; W191-Y195 AromaticContact CE3-CE1 3.44Å; W191-Y195 HydrophobicContact CE3-CE1 3.44Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.44Å; W191-Y195 HydrophobicContact CE3-CE2 4.38Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 WeakPolarHBondContact O-CD2 3.45Å; W191-Y195 PolarHBondContact O-N 3.34Å; L192-Y195 PolarHBondContact O-N 2.9Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.45Å; Y195-N198 PolarHBondContact O-N 3.22Å; Y195-G199 WeakPolarHBondContact O-CA 3.47Å; Y195-G199 PolarHBondContact O-N 3.23Å; Y195-L203 WeakPolarHBondContact O-CD1 3.45Å
196	L	96.8	Very high	96.1	Very high	15 Å²	15	60 Å²	60	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-35.7	175	-71.1	169.6	0	0	0	112.5	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.96Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 VanDerWaalsContact CG-CD2 3.49Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.37Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; L192-L196 HydrophobicContact CD1-CD1 3.86Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.38Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.47Å; L192-L196 PolarHBondContact O-N 2.97Å; R193-L196 PolarHBondContact O-N 2.82Å; L196-K200 VanDerWaalsContact O-CA 3.25Å; L196-K200 WeakPolarHBondContact O-CA 3.45Å; L196-K200 WeakPolarHBondContact O-CB 3.31Å; L196-K200 PolarHBondContact O-N 2.94Å; L196-K200 VanDerWaalsContact O-N 3.13Å; L196-L203 HydrophobicContact CD2-CB 4.12Å; L196-L203 HydrophobicContact CD2-CD1 4.34Å; L196-Q204 PolarHBondContact O-NE2 2.84Å
197	E	96.3	Very high	96.1	Very high	123 Å²	123	60.7 Å²	60.7	58%	0.575	28%	0.281	S	S	*	.	H	α-helix	trans	-72.1	-49.1	174.4	-172.2	59	-153	0	0	111.1	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.9Å; R194-E197 PolarHBondContact O-N 2.99Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 3.45Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 2.91Å; E197-K200 WeakPolarHBondContact O-CB 3.46Å; E197-K200 PolarHBondContact O-N 2.61Å
198	N	96.8	Very high	96	Very high	50 Å²	50	61 Å²	61	27%	0.267	28%	0.284	S	S	.	.	H	α-helix	trans	-58.2	-39	178.4	-78.5	2.2	0	0	0	113	W75 Q78 E79 R194 Y195	W75-N198 WeakPolarHBondContact CB-O 3.37Å; Q78-N198 PolarHBondContact NE2-ND2 3.31Å; E79-N198 PolarHBondContact OE1-ND2 2.98Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.47Å; R194-N198 PolarHBondContact O-N 3.13Å; R194-N198 PolarHBondContact O-OD1 3.45Å; Y195-N198 PolarHBondContact O-N 3.22Å
199	G	95.9	Very high	96	Very high	3 Å²	3	61.3 Å²	61.3	3%	0.031	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	20.5	-177.4	0	0	0	0	0	113.7	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.47Å; Y195-G199 PolarHBondContact O-N 3.23Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 2.91Å; G199-E201 VanDerWaalsContact C-N 3.29Å; G199-E201 PolarHBondContact O-N 3.06Å; G199-T202 CarbonylContact O-C 3.55Å; G199-T202 PolarHBondContact O-N 3.25Å; G199-T202 PolarHBondContact O-OG1 2.92Å; G199-L203 WeakPolarHBondContact O-CB 3.39Å; G199-L203 PolarHBondContact O-N 3.22Å
200	K	94.4	Very high	96	Very high	109 Å²	109	68.5 Å²	68.5	47%	0.474	32%	0.317	S	S	.	.	H	α-helix	trans	-53	-41.3	-171.4	-178.2	174.1	-174.8	173.3	0	114.5	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.25Å; L196-K200 WeakPolarHBondContact O-CA 3.45Å; L196-K200 WeakPolarHBondContact O-CB 3.31Å; L196-K200 PolarHBondContact O-N 2.94Å; L196-K200 VanDerWaalsContact O-N 3.13Å; E197-K200 WeakPolarHBondContact O-CB 3.46Å; E197-K200 PolarHBondContact O-N 2.61Å; K200-T202 PolarHBondContact O-N 2.84Å; K200-Q204 HydrophobicContact CG-CB 4.46Å; K200-Q204 HydrophobicContact CG-CG 4.49Å; K200-Q204 PolarHBondContact O-N 2.85Å
201	E	92.3	Very high	96	Very high	167 Å²	167	64.3 Å²	64.3	78%	0.78	30%	0.3	S	S	*	.	H	α-helix	trans	-64.7	-24.4	-179.6	-62.8	-172.8	164.7	0	0	113.5	G199 R205	G199-E201 VanDerWaalsContact C-N 3.29Å; G199-E201 PolarHBondContact O-N 3.06Å; E201-R205 WeakPolarHBondContact O-CB 3.29Å; E201-R205 PolarHBondContact O-NH1 3.13Å
202	T	92.7	Very high	96	Very high	41 Å²	41	65.7 Å²	65.7	25%	0.252	31%	0.308	S	S	.	.	H	α-helix	trans	-101.4	-69.4	176.4	52.5	0	0	0	0	110	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.55Å; G199-T202 PolarHBondContact O-N 3.25Å; G199-T202 PolarHBondContact O-OG1 2.92Å; K200-T202 PolarHBondContact O-N 2.84Å; T202-Q204 VanDerWaalsContact C-N 3.31Å; T202-Q204 PolarHBondContact O-N 3.04Å; T202-R205 WeakPolarHBondContact O-CB 3.33Å; T202-R205 PolarHBondContact O-N 3.09Å; T202-R263 VanDerWaalsContact CA-NH1 3.29Å; T202-R263 PolarHBondContact O-NH1 2.86Å; T202-R263 PolarHBondContact O-NH2 2.85Å
203	L	93.4	Very high	96	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-58.8	-34.3	-168.7	-61.6	172.8	0	0	0	114.3	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.25Å; V52-L203 HydrophobicContact CB-CD2 4.13Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.13Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.28Å; W75-L203 HydrophobicContact CZ2-CD1 3.82Å; W75-L203 HydrophobicContact CZ2-CD2 4.09Å; W75-L203 HydrophobicContact CZ2-CG 4.35Å; Y195-L203 WeakPolarHBondContact O-CD1 3.45Å; L196-L203 HydrophobicContact CD2-CB 4.12Å; L196-L203 HydrophobicContact CD2-CD1 4.34Å; G199-L203 WeakPolarHBondContact O-CB 3.39Å; G199-L203 PolarHBondContact O-N 3.22Å; L203-R205 VanDerWaalsContact C-N 3.34Å
204	Q	91.9	Very high	96	Very high	91 Å²	91	62.5 Å²	62.5	43%	0.425	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	12	179.2	-58.3	-178.6	34.2	0	0	112.9	L196 K200 T202	L196-Q204 PolarHBondContact O-NE2 2.84Å; K200-Q204 HydrophobicContact CG-CB 4.46Å; K200-Q204 HydrophobicContact CG-CG 4.49Å; K200-Q204 PolarHBondContact O-N 2.85Å; T202-Q204 VanDerWaalsContact C-N 3.31Å; T202-Q204 PolarHBondContact O-N 3.04Å
205	R	93.1	Very high	95.9	Very high	118 Å²	118	59.3 Å²	59.3	45%	0.445	29%	0.293	S	S	.	.			trans	-106.6	115.9	177.1	-169.4	-176.7	79.5	-149.1	3	110.2	E201 T202 L203 D207 Y233	E201-R205 WeakPolarHBondContact O-CB 3.29Å; E201-R205 PolarHBondContact O-NH1 3.13Å; T202-R205 WeakPolarHBondContact O-CB 3.33Å; T202-R205 PolarHBondContact O-N 3.09Å; L203-R205 VanDerWaalsContact C-N 3.34Å; R205-D207 IonicContact CZ-OD1 3Å; R205-D207 IonicContact CZ-OD2 3.76Å; R205-D207 IonicContact NE-OD1 2.76Å; R205-D207 PolarHBondContact NE-OD1 2.88Å; R205-D207 IonicContact NE-OD2 3.8Å; R205-D207 IonicContact NH2-OD1 3.78Å; R205-D207 IonicContact NH2-OD2 2.7Å; R205-D207 PolarHBondContact NH2-OD2 2.88Å; R205-Y233 WeakPolarHBondContact O-CD1 3.38Å
206	A	95.1	Very high	95.8	Very high	33 Å²	33	63.2 Å²	63.2	27%	0.273	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-85.6	125.6	167.2	0	0	0	0	0	110	Y233 E288	A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 VanDerWaalsContact CA-O 3.23Å; A206-Y233 WeakPolarHBondContact CA-O 3.36Å; A206-E288 HydrophobicContact CB-CG 4.42Å
207	D	96.5	Very high	95.7	Very high	37 Å²	37	67.2 Å²	67.2	20%	0.198	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-99.5	116.9	175.3	-67.6	-33.5	0	0	0	107.7	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 3Å; R205-D207 IonicContact CZ-OD2 3.76Å; R205-D207 IonicContact NE-OD1 2.76Å; R205-D207 PolarHBondContact NE-OD1 2.88Å; R205-D207 IonicContact NE-OD2 3.8Å; R205-D207 IonicContact NH2-OD1 3.78Å; R205-D207 IonicContact NH2-OD2 2.7Å; R205-D207 PolarHBondContact NH2-OD2 2.88Å; D207-F232 CarbonylContact O-C 3.6Å; D207-F232 WeakPolarHBondContact O-CA 3.43Å; D207-F232 WeakPolarHBondContact O-CB 3.42Å; D207-Y233 PolarHBondContact N-O 3.28Å; D207-Y233 PolarHBondContact O-N 2.88Å; D207-H287 PolarHBondContact O-CE1 3.18Å; D207-H287 VanDerWaalsContact O-CE1 3.32Å
208	P	97.6	Very high	95.5	Very high	64 Å²	64	66 Å²	66	42%	0.416	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-70.4	149.9	-175.9	25.2	-32.8	0	0	0	112.8	L290	P208-L290 HydrophobicContact CB-CD2 3.89Å; P208-L290 HydrophobicContact CB-CG 4.43Å
209	P	98.3	Very high	95.3	Very high	8 Å²	8	66 Å²	66	5%	0.052	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-67.7	135.6	179.1	28.3	-35.3	0	0	0	112.4	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 3.13Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.88Å; P209-F232 HydrophobicContact CB-CG 4.12Å; P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; P209-V285 HydrophobicContact CG-CG1 3.94Å; P209-H287 HydrophobicContact CG-CB 4.07Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.21Å
210	K	98.4	Very high	95	Very high	157 Å²	157	73 Å²	73	68%	0.683	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	109.5	163.4	-63.5	173.6	-173.4	169.4	0	108.1	L230	K210-L230 PolarHBondContact N-O 3.32Å; K210-L230 PolarHBondContact O-N 3.39Å
211	T	98.3	Very high	95	Very high	35 Å²	35	74.7 Å²	74.7	22%	0.215	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.2	-172	54.2	0	0	0	0	112.7	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.13Å; P209-T211 PolarHBondContact O-N 3.13Å; T211-W228 WeakPolarHBondContact CA-O 3.37Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; T211-V285 HydrophobicContact CG2-CB 4.33Å; T211-V285 HydrophobicContact CG2-CG1 4.07Å; T211-V285 HydrophobicContact CG2-CG2 3.97Å; T211-L294 HydrophobicContact CG2-CD1 4.28Å; T211-L296 HydrophobicContact CG2-CD1 4.44Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.48Å
212	H	97.5	Very high	95.1	Very high	78 Å²	78	71.2 Å²	71.2	36%	0.361	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	159.9	171.1	64.1	-75.6	0	0	0	110.8	W228	H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.28Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.11Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 2.76Å
213	V	98.3	Very high	95.3	Very high	21 Å²	21	69.3 Å²	69.3	13%	0.127	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.8	176.8	-179.4	0	0	0	0	109.3	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.41Å; V213-L225 HydrophobicContact CG1-CD2 4.46Å; V213-R226 WeakPolarHBondContact CA-O 3.38Å; V213-C227 HydrophobicContact CG2-CB 4.43Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.81Å
214	T	97	Very high	95.5	Very high	34 Å²	34	70 Å²	70	21%	0.209	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	148.4	174.6	53.4	0	0	0	0	110.3	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.87Å; T214-H216 VanDerWaalsContact OG1-CE1 3.32Å; T214-L225 WeakPolarHBondContact O-CA 2.97Å; T214-R226 PolarHBondContact N-O 3.16Å; T214-R226 PolarHBondContact O-N 3.41Å; T214-R226 WeakPolarHBondContact OG1-CB 3.43Å; T214-R226 PolarHBondContact OG1-O 2.62Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; T214-W228 PolarHBondContact OG1-NE1 3.18Å
215	H	96.2	Very high	95.8	Very high	54 Å²	54	65.7 Å²	65.7	25%	0.25	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.5	-179.2	169.4	-93.8	0	0	0	109.5	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.14Å; H215-T224 WeakPolarHBondContact CA-O 3.39Å; H215-L225 HydrophobicContact CB-CD2 4.01Å; H215-E278 IonicContact NE2-OE1 3.57Å; H215-W298 HydrophobicContact CB-CD2 4.04Å; H215-W298 VanDerWaalsContact CB-CE2 3.48Å; H215-W298 HydrophobicContact CB-CG 4.1Å; H215-W298 HydrophobicContact CB-CZ2 3.96Å; H215-W298 AromaticContact CG-CE2 3.73Å; H215-W298 AromaticContact CG-CZ2 3.75Å; H215-W298 AromaticContact ND1-CZ2 3.88Å
216	H	94.9	Very high	96	Very high	84 Å²	84	62.4 Å²	62.4	39%	0.389	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	105.9	-179.1	-58.5	83.8	0	0	0	109.1	T214 I218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 2.87Å; T214-H216 VanDerWaalsContact OG1-CE1 3.32Å; H216-I218 PolarHBondContact O-N 2.95Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 WeakPolarHBondContact O-CA 3.24Å; H216-T224 PolarHBondContact N-O 2.92Å; H216-T224 PolarHBondContact O-N 3.33Å; H216-R226 PolarHBondContact CE1-NH1 3.39Å
217	P	94.3	Very high	96.2	Very high	99 Å²	99	60.9 Å²	60.9	64%	0.643	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	131.8	173.3	-21.2	31.5	0	0	0	111
218	I	92.6	Very high	96.3	Very high	97 Å²	97	61.4 Å²	61.4	50%	0.497	32%	0.315	S	S	.	.			trans	-100.3	-44.4	173.1	-60.8	162.7	0	0	0	109.5	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.95Å; I218-E222 PolarHBondContact N-O 3Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.43Å; I218-V272 HydrophobicContact CD1-CG1 4.08Å; I218-V272 HydrophobicContact CD1-CG2 4.09Å
219	S	92.8	Very high	96.4	Very high	52 Å²	52	58.4 Å²	58.4	36%	0.364	30%	0.295	S	S	.	.	S	Bend	trans	-147.2	-179.4	178.1	72.7	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 3.22Å; S219-H221 PolarHBondContact OG-N 3.33Å; S219-E222 PolarHBondContact N-O 3.37Å; S219-E222 PolarHBondContact O-N 2.89Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.42Å
220	D	90.1	Very high	96.4	Very high	149 Å²	149	60.5 Å²	60.5	80%	0.797	31%	0.306	S	S	*	.	S	Bend	trans	-62.1	-20.2	172.9	-65.6	-21.2	0	0	0	112.6	S275	D220-S275 PolarHBondContact O-OG 3.22Å
221	H	93.4	Very high	96.3	Very high	145 Å²	145	54.1 Å²	54.1	67%	0.671	29%	0.285	S	S	*	.	S	Bend	trans	-106.4	-16	-174.3	-55.7	-49.4	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.22Å; S219-H221 PolarHBondContact OG-N 3.33Å; H221-P274 CarbonylContact O-C 3.49Å; H221-P274 WeakPolarHBondContact O-CA 3.13Å; H221-S275 PolarHBondContact O-N 2.9Å; H221-S275 PolarHBondContact O-OG 2.91Å
222	E	95.4	Very high	96.3	Very high	93 Å²	93	52.5 Å²	52.5	44%	0.435	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.3	-171.5	-66.1	-178.9	166.3	0	0	112.7	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 3Å; S219-E222 PolarHBondContact N-O 3.37Å; S219-E222 PolarHBondContact O-N 2.89Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.42Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.33Å; E222-V273 WeakPolarHBondContact CA-O 3.36Å; E222-S275 PolarHBondContact N-OG 3.08Å
223	A	96.2	Very high	96.3	Very high	1 Å²	1	49 Å²	49	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	155.4	172.2	0	0	0	0	0	111.1	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.14Å; H216-A223 CarbonylContact O-C 3.6Å; H216-A223 WeakPolarHBondContact O-CA 3.24Å; A223-V272 WeakPolarHBondContact O-CA 3.36Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 3.33Å; A223-V273 PolarHBondContact O-N 2.84Å
224	T	97.8	Very high	96.2	Very high	20 Å²	20	48.9 Å²	48.9	12%	0.123	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.5	168.5	-54.8	0	0	0	0	110	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.39Å; H216-T224 PolarHBondContact N-O 2.92Å; H216-T224 PolarHBondContact O-N 3.33Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.43Å; T224-A270 HydrophobicContact CG2-CB 3.85Å; T224-V271 WeakPolarHBondContact CA-O 3.28Å
225	L	98.2	Very high	96.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.3	162	-62.8	-175.2	0	0	0	109.1	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.41Å; V213-L225 HydrophobicContact CG1-CD2 4.46Å; T214-L225 WeakPolarHBondContact O-CA 2.97Å; H215-L225 HydrophobicContact CB-CD2 4.01Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.76Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.18Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.19Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 2.91Å; L225-V271 PolarHBondContact O-N 3Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.1Å; L225-V273 HydrophobicContact CG-CG1 4.11Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.45Å; L225-E278 HydrophobicContact CD2-CG 4.3Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.4Å; L225-W298 HydrophobicContact CD2-CG 3.99Å
226	R	98.4	Very high	96.2	Very high	50 Å²	50	50.9 Å²	50.9	19%	0.189	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	116.9	176.2	-178.4	-179.1	-62.6	111.2	3.1	110.5	V213 T214 H216 W228 W268 A269 A270	V213-R226 WeakPolarHBondContact CA-O 3.38Å; T214-R226 PolarHBondContact N-O 3.16Å; T214-R226 PolarHBondContact O-N 3.41Å; T214-R226 WeakPolarHBondContact OG1-CB 3.43Å; T214-R226 PolarHBondContact OG1-O 2.62Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; H216-R226 PolarHBondContact CE1-NH1 3.39Å; R226-W228 VanDerWaalsContact CD-CE2 3.43Å; R226-W228 VanDerWaalsContact CD-CZ2 3.4Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.91Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.28Å; R226-A270 HydrophobicContact CB-CB 4.03Å; R226-A270 HydrophobicContact CG-CB 4.13Å
227	C	98.4	Very high	96.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.8	175.6	-173.1	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.43Å; C227-W241 HydrophobicContact CB-CH2 4.48Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.51Å; C227-W268 WeakPolarHBondContact O-CA 3.19Å; C227-W268 WeakPolarHBondContact O-CB 3.19Å; C227-A269 PolarHBondContact N-O 3.32Å; C227-A269 PolarHBondContact O-N 3.01Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.5Å; C227-C283 WeakPolarHBondContact SG-CB 3.38Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.99Å
228	W	98.6	Very high	96.4	Very high	49 Å²	49	44.3 Å²	44.3	19%	0.186	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.4	179.9	-69.3	89.6	0	0	0	110.5	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.37Å; H212-W228 VanDerWaalsContact CE1-CB 3.41Å; H212-W228 WeakPolarHBondContact CE1-CB 3.28Å; H212-W228 AromaticContact CE1-CD1 3.93Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.11Å; H212-W228 AromaticContact NE2-CD1 3.51Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 2.76Å; T214-W228 PolarHBondContact OG1-NE1 3.18Å; R226-W228 VanDerWaalsContact CD-CE2 3.43Å; R226-W228 VanDerWaalsContact CD-CZ2 3.4Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; W228-L230 HydrophobicContact CE3-CD2 3.91Å; W228-L230 HydrophobicContact CZ3-CD2 4.46Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.87Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.41Å; W228-W268 AromaticContact CH2-CD1 3.68Å; W228-W268 HydrophobicContact CH2-CG 4.32Å; W228-W268 HydrophobicContact CZ3-CB 4.32Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å
229	A	98.6	Very high	96.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.5	161.9	0	0	0	0	0	107.8	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.07Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; A229-L239 HydrophobicContact CB-CD1 4Å; A229-L239 HydrophobicContact CB-CD2 4.14Å; A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.26Å; A229-K267 PolarHBondContact N-O 3Å; A229-K267 PolarHBondContact O-N 3.37Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.5	Very high	96.9	Very high	52 Å²	52	40 Å²	40	27%	0.272	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.8	-174.8	-58.9	177	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.32Å; K210-L230 PolarHBondContact O-N 3.39Å; W228-L230 HydrophobicContact CE3-CD2 3.91Å; W228-L230 HydrophobicContact CZ3-CD2 4.46Å; L230-F232 PolarHBondContact O-N 3.02Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å
231	G	97.9	Very high	97.3	Very high	24 Å²	24	33 Å²	33	25%	0.247	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.1	29.1	167.4	0	0	0	0	0	114.3	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.45Å; G231-F265 PolarHBondContact N-O 2.94Å
232	F	98.1	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	155.4	-179.1	59	-89.5	0	0	0	112.9	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.6Å; D207-F232 WeakPolarHBondContact O-CA 3.43Å; D207-F232 WeakPolarHBondContact O-CB 3.42Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.88Å; P209-F232 HydrophobicContact CB-CG 4.12Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.8Å; A229-F232 WeakPolarHBondContact O-CE1 3.07Å; L230-F232 PolarHBondContact O-N 3.02Å; F232-P234 WeakPolarHBondContact CD2-O 3.41Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.3Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 3.88Å; F232-I237 HydrophobicContact CE2-CG1 4.4Å; F232-I237 HydrophobicContact CE2-CG2 3.61Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.15Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.58Å; F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.94Å; F232-T264 CarbonylContact O-C 3.56Å; F232-T264 WeakPolarHBondContact O-CA 3.39Å; F232-F265 WeakPolarHBondContact CD1-O 3.26Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.32Å; F232-F265 WeakPolarHBondContact CE1-O 3.36Å; F232-F265 HydrophobicContact CE2-CB 3.51Å; F232-F265 HydrophobicContact CZ-CB 3.69Å; F232-F265 PolarHBondContact N-O 2.84Å; F232-F265 PolarHBondContact O-N 3.11Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.69Å
233	Y	96.9	Very high	97.6	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.016	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-149.7	137.1	172	178.1	-84.6	0	0	0	109	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.91Å; T55-Y233 WeakPolarHBondContact OG1-CE2 2.94Å; T55-Y233 PolarHBondContact OG1-OH 3.04Å; R205-Y233 WeakPolarHBondContact O-CD1 3.38Å; A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 VanDerWaalsContact CA-O 3.23Å; A206-Y233 WeakPolarHBondContact CA-O 3.36Å; D207-Y233 PolarHBondContact N-O 3.28Å; D207-Y233 PolarHBondContact O-N 2.88Å; Y233-R263 HydrophobicContact CD2-CG 3.9Å; Y233-R263 HydrophobicContact CE2-CG 4.12Å; Y233-F265 HydrophobicContact CD2-CE2 4.07Å; Y233-H287 PolarHBondContact O-CE1 2.95Å
234	P	96.1	Very high	97.6	Very high	19 Å²	19	32 Å²	32	12%	0.123	17%	0.168	C	C	.	.	S	Bend	cis	-71	178.4	1.7	29.9	-36.1	0	0	0	113.3	D54 F232 E236 H287 E288	D54-P234 WeakPolarHBondContact OD2-CB 3.41Å; F232-P234 WeakPolarHBondContact CD2-O 3.41Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.15Å; P234-H287 PolarHBondContact O-NE2 3.44Å; P234-E288 WeakPolarHBondContact CG-OE2 3.42Å
235	A	96.9	Very high	97.2	Very high	14 Å²	14	33.3 Å²	33.3	12%	0.116	19%	0.186	C	C	.	.	S	Bend	trans	-69.3	-28.2	-175.7	0	0	0	0	0	113.4	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.47Å; D54-A235 PolarHBondContact OD2-N 2.86Å; A235-I237 PolarHBondContact O-N 3.24Å; A235-T257 HydrophobicContact CB-CG2 4.36Å; A235-T257 WeakPolarHBondContact O-CG2 3.37Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.67Å; A235-F265 HydrophobicContact CB-CE1 3.64Å; A235-F265 HydrophobicContact CB-CE2 3.63Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.63Å
236	E	96.1	Very high	97.1	Very high	117 Å²	117	40.2 Å²	40.2	55%	0.547	22%	0.219	S	C	.	.			trans	-64.8	123.4	-180	-169.7	68.4	-153.2	0	0	109.9	W23 P234 H287	W23-E236 HydrophobicContact CD2-CG 4.36Å; W23-E236 HydrophobicContact CE3-CB 4.29Å; W23-E236 HydrophobicContact CE3-CG 3.84Å; W23-E236 HydrophobicContact CH2-CB 4.2Å; W23-E236 HydrophobicContact CH2-CG 3.13Å; W23-E236 HydrophobicContact CZ2-CG 3.64Å; W23-E236 HydrophobicContact CZ3-CB 3.81Å; W23-E236 HydrophobicContact CZ3-CG 3.21Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.15Å; E236-H287 PolarHBondContact O-CD2 3.41Å
237	I	96.9	Very high	96.9	Very high	11 Å²	11	42.3 Å²	42.3	6%	0.056	23%	0.234	C	C	.	.			trans	-157.2	143.8	-177	-164.7	171.6	0	0	0	109.8	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.1Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; F232-I237 HydrophobicContact CD1-CD1 3.9Å; F232-I237 HydrophobicContact CD2-CB 4.3Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE2-CB 3.77Å; F232-I237 HydrophobicContact CE2-CD1 3.88Å; F232-I237 HydrophobicContact CE2-CG1 4.4Å; F232-I237 HydrophobicContact CE2-CG2 3.61Å; F232-I237 HydrophobicContact CG-CD1 4Å; F232-I237 HydrophobicContact CZ-CB 4.15Å; F232-I237 HydrophobicContact CZ-CD1 3.81Å; F232-I237 HydrophobicContact CZ-CG2 3.58Å; A235-I237 PolarHBondContact O-N 3.24Å; I237-L239 HydrophobicContact CB-CD1 4.46Å; I237-L239 HydrophobicContact CD1-CD1 3.62Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.07Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.63Å; I237-V285 HydrophobicContact CD1-CG1 4.02Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; I237-Q286 VanDerWaalsContact CG1-O 3.27Å; I237-Q286 WeakPolarHBondContact CG1-O 3.44Å; I237-H287 HydrophobicContact CD1-CB 4.33Å; I237-H287 HydrophobicContact CG1-CB 4.08Å
238	A	97.3	Very high	96.8	Very high	34 Å²	34	43.5 Å²	43.5	28%	0.281	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.7	172.3	0	0	0	0	0	111.2	V285 Q286	A238-V285 WeakPolarHBondContact O-CA 3.14Å; A238-Q286 HydrophobicContact CB-CB 4.19Å; A238-Q286 PolarHBondContact N-O 2.98Å; A238-Q286 PolarHBondContact O-N 2.87Å
239	L	97.8	Very high	96.4	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.042	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	121.3	173.1	-87.4	64.9	0	0	0	108.6	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4Å; A229-L239 HydrophobicContact CB-CD2 4.14Å; I237-L239 HydrophobicContact CB-CD1 4.46Å; I237-L239 HydrophobicContact CD1-CD1 3.62Å; I237-L239 HydrophobicContact CG1-CD1 3.65Å; I237-L239 HydrophobicContact CG2-CD1 4.07Å; L239-L254 HydrophobicContact CB-CD1 4.18Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.48Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.34Å; L239-H284 WeakPolarHBondContact CA-O 3.31Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97.6	Very high	95.9	Very high	51 Å²	51	55.4 Å²	55.4	31%	0.313	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.2	177.1	61	0	0	0	0	111.7	C283 H284	T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.38Å; T240-H284 PolarHBondContact N-O 2.86Å; T240-H284 PolarHBondContact O-N 2.85Å
241	W	98.2	Very high	95.5	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137.5	169.2	-82.4	106	0	0	0	110.1	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.32Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.76Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.02Å; L225-W241 HydrophobicContact CD1-CZ3 4.18Å; C227-W241 HydrophobicContact CB-CH2 4.48Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 3.22Å; W241-A269 PolarHBondContact NE1-O 3.24Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CG1 3.62Å; W241-V271 HydrophobicContact CE3-CG1 4.04Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.76Å; W241-V271 HydrophobicContact CZ2-CG1 4.35Å; W241-T282 WeakPolarHBondContact CA-O 3.47Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.96Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å
242	Q	97.9	Very high	95.4	Very high	42 Å²	42	58.2 Å²	58.2	20%	0.196	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.8	171.3	-69.4	-173.8	-8.3	0	0	110.2	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.4Å; Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.47Å; Q242-D247 PolarHBondContact NE2-OD1 2.79Å; Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.29Å; Q242-T282 PolarHBondContact N-O 3.18Å; Q242-T282 PolarHBondContact O-N 3.25Å; Q242-H284 PolarHBondContact OE1-NE2 3.38Å
243	R	97.4	Very high	95.3	Very high	71 Å²	71	63.7 Å²	63.7	27%	0.268	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117.9	168.6	-176.1	-172.1	-176.5	-179.9	-0.6	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.11Å; R243-E246 PolarHBondContact N-O 2.89Å; R243-E246 PolarHBondContact O-N 3.49Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; R243-E277 IonicContact CZ-OE2 3.69Å; R243-E277 IonicContact NE-OE2 3.75Å; R243-E277 IonicContact NH2-OE1 2.66Å; R243-E277 IonicContact NH2-OE2 3.5Å; R243-E277 PolarHBondContact NH2-OE2 2.62Å; R243-R280 WeakPolarHBondContact CA-O 2.96Å; R243-R280 HydrophobicContact CG-CB 4.38Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.47Å; R243-Y281 HydrophobicContact CG-CD1 4.47Å; R243-Y281 HydrophobicContact CG-CD2 4.45Å; R243-Y281 HydrophobicContact CG-CE1 4.1Å; R243-Y281 HydrophobicContact CG-CE2 4.05Å
244	D	95.3	Very high	95.4	Very high	103 Å²	103	67.7 Å²	67.7	55%	0.551	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	28.7	-175.1	-54.4	-48	0	0	0	114.3	R280	D244-R280 PolarHBondContact N-O 2.85Å; D244-R280 IonicContact OD1-NE 3.45Å; D244-R280 PolarHBondContact OD1-NE 2.83Å; D244-R280 IonicContact OD2-CZ 3.11Å; D244-R280 IonicContact OD2-NE 2.8Å; D244-R280 PolarHBondContact OD2-NE 2.64Å; D244-R280 IonicContact OD2-NH2 3.79Å; D244-R280 PolarHBondContact OD2-NH2 3.12Å
245	G	91.3	Very high	95.4	Very high	49 Å²	49	68.4 Å²	68.4	51%	0.505	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-0.7	-177.7	0	0	0	0	0	115.7	R243	R243-G245 PolarHBondContact O-N 3.11Å
246	E	95.4	Very high	95.4	Very high	145 Å²	145	75.4 Å²	75.4	68%	0.678	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.8	175.8	-62.9	-173.1	170.5	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.4Å; R243-E246 PolarHBondContact N-O 2.89Å; R243-E246 PolarHBondContact O-N 3.49Å; E246-Q248 PolarHBondContact O-NE2 3.38Å
247	D	94.9	Very high	95.5	Very high	94 Å²	94	71.8 Å²	71.8	50%	0.503	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	134.3	-179.2	-68.6	-29.1	0	0	0	112.3	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.47Å; Q242-D247 PolarHBondContact NE2-OD1 2.79Å
248	Q	95	Very high	95.5	Very high	24 Å²	24	76.2 Å²	76.2	11%	0.112	40%	0.398	C	S	.	.			trans	-104.6	37.7	-177.7	-57.6	-61.1	-71.5	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 3.22Å; R243-Q248 HydrophobicContact CB-CG 3.98Å; E246-Q248 PolarHBondContact O-NE2 3.38Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.63Å; Q248-D251 PolarHBondContact O-N 2.87Å; Q248-T252 WeakPolarHBondContact O-CB 3.29Å; Q248-T252 PolarHBondContact O-N 2.87Å; Q248-T252 PolarHBondContact O-OG1 2.89Å; Q248-Y281 HydrophobicContact CG-CE1 4.32Å
249	T	89.7	Confident	95.5	Very high	107 Å²	107	79 Å²	79	66%	0.656	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-37	-169.1	-48.2	0	0	0	0	113.9
250	Q	89.8	Confident	95.5	Very high	192 Å²	192	81 Å²	81	90%	0.897	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-31.4	-178.6	-66.8	-174.7	3.2	0	0	113.1	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.63Å; Q250-T252 VanDerWaalsContact C-N 3.35Å
251	D	88.8	Confident	95.3	Very high	112 Å²	112	82.2 Å²	82.2	60%	0.599	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	0.5	-178	-56	-53.8	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 2.87Å
252	T	95.8	Very high	95	Very high	24 Å²	24	87.3 Å²	87.3	15%	0.147	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.4	179.8	-64	0	0	0	0	110.7	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.29Å; Q248-T252 PolarHBondContact O-N 2.87Å; Q248-T252 PolarHBondContact O-OG1 2.89Å; Q250-T252 VanDerWaalsContact C-N 3.35Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 2.97Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.49Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.45Å
253	E	97.3	Very high	94.7	Very high	115 Å²	115	88.2 Å²	88.2	54%	0.537	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	107.9	163.1	-173.6	-173.9	-171.2	0	0	108.8	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.31Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.4Å; E253-A269 CarbonylContact O-C 3.6Å; E253-A269 WeakPolarHBondContact O-CA 3.37Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 2.98Å; E253-A270 PolarHBondContact O-N 3.12Å
254	L	97.3	Very high	94.7	Very high	88 Å²	88	85.7 Å²	85.7	46%	0.461	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.8	178.1	-174.4	68	0	0	0	109.7	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.18Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 2.97Å; L254-K267 HydrophobicContact CD1-CD 4.41Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
255	V	97.1	Very high	94.9	Very high	33 Å²	33	82 Å²	82	20%	0.2	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-85.4	153.9	175	-65.2	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.27Å; V255-K267 WeakPolarHBondContact O-CE 3.29Å; V255-K267 WeakPolarHBondContact O-CG 3.42Å; V255-K267 PolarHBondContact O-NZ 3.48Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.06Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.45Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 3.24Å
256	E	96.9	Very high	95.2	Very high	162 Å²	162	81.7 Å²	81.7	76%	0.757	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-57.7	146.9	167.8	-67.6	-56.5	155.6	0	0	111.7	R258	E256-R258 PolarHBondContact O-N 2.69Å
257	T	97.9	Very high	95.4	Very high	41 Å²	41	75.6 Å²	75.6	25%	0.252	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-67.7	129.7	174.6	-56.3	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.94Å; A235-T257 HydrophobicContact CB-CG2 4.36Å; A235-T257 WeakPolarHBondContact O-CG2 3.37Å; T257-F265 HydrophobicContact CG2-CB 3.76Å; T257-F265 HydrophobicContact CG2-CD1 3.9Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.34Å; T257-K267 PolarHBondContact OG1-NZ 2.83Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
258	R	97.6	Very high	95.5	Very high	103 Å²	103	72.4 Å²	72.4	39%	0.389	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.9	-174.7	68.2	-168.9	-179.3	-179.5	5.1	111.4	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.69Å; R258-F265 WeakPolarHBondContact O-CA 3.48Å; R258-Q266 HydrophobicContact CG-CG 3.55Å; R258-Q266 PolarHBondContact N-O 3.06Å; R258-Q266 WeakPolarHBondContact O-CG 3.46Å; R258-Q266 PolarHBondContact O-N 3.44Å
259	P	97.3	Very high	95.7	Very high	94 Å²	94	71.2 Å²	71.2	61%	0.61	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	145.3	178.2	28.8	-34.7	0	0	0	110.9	F265	P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.24Å
260	A	96.5	Very high	96.1	Very high	49 Å²	49	66.3 Å²	66.3	41%	0.405	36%	0.356	S	S	.	.			trans	-89.8	-15.2	173.3	0	0	0	0	0	113	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.02Å; A260-T264 WeakPolarHBondContact CB-O 3.39Å; A260-T264 WeakPolarHBondContact CB-OG1 3.46Å; A260-T264 PolarHBondContact N-O 3.15Å
261	G	93	Very high	96.5	Very high	77 Å²	77	57.2 Å²	57.2	79%	0.794	31%	0.314	S	S	*	.	S	Bend	trans	95.6	-4.3	179.7	0	0	0	0	0	114.7
262	D	92.8	Very high	96.9	Very high	108 Å²	108	55.2 Å²	55.2	58%	0.578	31%	0.306	S	S	*	.	S	Bend	trans	-118.1	32.5	-179.5	65	-5.7	0	0	0	111.8	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.02Å; D262-T264 PolarHBondContact O-N 2.84Å; D262-T264 WeakPolarHBondContact OD1-CB 3.42Å; D262-T264 PolarHBondContact OD1-N 3.18Å; D262-T264 VanDerWaalsContact OD1-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3.05Å
263	R	92.4	Very high	97	Very high	62 Å²	62	54.1 Å²	54.1	23%	0.234	30%	0.299	C	S	.	.	S	Bend	trans	73	-20.2	-169.6	179.7	-175.7	169.4	-137.4	-13.8	115.1	T202 Y233 F265	T202-R263 VanDerWaalsContact CA-NH1 3.29Å; T202-R263 PolarHBondContact O-NH1 2.86Å; T202-R263 PolarHBondContact O-NH2 2.85Å; Y233-R263 HydrophobicContact CD2-CG 3.9Å; Y233-R263 HydrophobicContact CE2-CG 4.12Å; R263-F265 WeakPolarHBondContact O-CE2 3.43Å
264	T	97.1	Very high	96.9	Very high	17 Å²	17	50.9 Å²	50.9	10%	0.104	29%	0.287	C	S	.	.			trans	-85.2	168.3	-179.1	75.9	0	0	0	0	112.9	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.45Å; F232-T264 CarbonylContact O-C 3.56Å; F232-T264 WeakPolarHBondContact O-CA 3.39Å; A260-T264 WeakPolarHBondContact CB-O 3.39Å; A260-T264 WeakPolarHBondContact CB-OG1 3.46Å; A260-T264 PolarHBondContact N-O 3.15Å; D262-T264 PolarHBondContact O-N 2.84Å; D262-T264 WeakPolarHBondContact OD1-CB 3.42Å; D262-T264 PolarHBondContact OD1-N 3.18Å; D262-T264 VanDerWaalsContact OD1-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3.05Å
265	F	98.4	Very high	96.7	Very high	26 Å²	26	49.2 Å²	49.2	11%	0.114	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	164.1	-179.9	-64.6	-88.2	0	0	0	111.8	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.74Å; G231-F265 PolarHBondContact N-O 2.94Å; F232-F265 WeakPolarHBondContact CD1-O 3.26Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.32Å; F232-F265 WeakPolarHBondContact CE1-O 3.36Å; F232-F265 HydrophobicContact CE2-CB 3.51Å; F232-F265 HydrophobicContact CZ-CB 3.69Å; F232-F265 PolarHBondContact N-O 2.84Å; F232-F265 PolarHBondContact O-N 3.11Å; Y233-F265 HydrophobicContact CD2-CE2 4.07Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.67Å; A235-F265 HydrophobicContact CB-CE1 3.64Å; A235-F265 HydrophobicContact CB-CE2 3.63Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.63Å; T257-F265 HydrophobicContact CG2-CB 3.76Å; T257-F265 HydrophobicContact CG2-CD1 3.9Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.48Å; P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.24Å; R263-F265 WeakPolarHBondContact O-CE2 3.43Å
266	Q	98.4	Very high	96.5	Very high	43 Å²	43	50.8 Å²	50.8	20%	0.201	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	144.5	174.7	44	169	-21.1	0	0	109.8	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.26Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å; R258-Q266 HydrophobicContact CG-CG 3.55Å; R258-Q266 PolarHBondContact N-O 3.06Å; R258-Q266 WeakPolarHBondContact O-CG 3.46Å; R258-Q266 PolarHBondContact O-N 3.44Å
267	K	98.6	Very high	96.4	Very high	17 Å²	17	45.6 Å²	45.6	7%	0.074	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.5	176.7	-161.3	-176.4	-171.2	69.7	0	108.8	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3Å; A229-K267 PolarHBondContact O-N 3.37Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.26Å; I237-K267 HydrophobicContact CG2-CD 3.63Å; L239-K267 HydrophobicContact CD1-CD 4.34Å; L239-K267 HydrophobicContact CD2-CB 4.37Å; L239-K267 HydrophobicContact CD2-CG 4.48Å; L254-K267 HydrophobicContact CD1-CD 4.41Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.27Å; V255-K267 WeakPolarHBondContact O-CE 3.29Å; V255-K267 WeakPolarHBondContact O-CG 3.42Å; V255-K267 PolarHBondContact O-NZ 3.48Å; T257-K267 WeakPolarHBondContact OG1-CD 3.34Å; T257-K267 PolarHBondContact OG1-NZ 2.83Å; T257-K267 VanDerWaalsContact OG1-NZ 3.16Å
268	W	98.4	Very high	96.3	Very high	26 Å²	26	44.6 Å²	44.6	10%	0.098	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.9	169.4	59.5	-100.2	0	0	0	111.4	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.91Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.51Å; C227-W268 WeakPolarHBondContact O-CA 3.19Å; C227-W268 WeakPolarHBondContact O-CB 3.19Å; W228-W268 HydrophobicContact CD2-CB 3.98Å; W228-W268 HydrophobicContact CD2-CG 4.48Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.87Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.41Å; W228-W268 AromaticContact CH2-CD1 3.68Å; W228-W268 HydrophobicContact CH2-CG 4.32Å; W228-W268 HydrophobicContact CZ3-CB 4.32Å; W228-W268 AromaticContact CZ3-CD1 3.42Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.42Å; W228-W268 HydrophobicContact CZ3-CG 4.12Å; E253-W268 HydrophobicContact CB-CZ3 4.21Å; E253-W268 HydrophobicContact CG-CH2 3.89Å; E253-W268 HydrophobicContact CG-CZ3 3.84Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.31Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.4Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.06Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.45Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 3.24Å; W268-A270 HydrophobicContact CE3-CB 3.91Å; W268-A270 HydrophobicContact CZ3-CB 3.6Å
269	A	98.4	Very high	96.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.1	173.8	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.28Å; C227-A269 PolarHBondContact N-O 3.32Å; C227-A269 PolarHBondContact O-N 3.01Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.34Å; W241-A269 PolarHBondContact NE1-O 3.24Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.6Å; E253-A269 WeakPolarHBondContact O-CA 3.37Å; L254-A269 HydrophobicContact CD1-CB 3.67Å
270	A	98.2	Very high	96.2	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.8	180	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.85Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.19Å; R226-A270 HydrophobicContact CB-CB 4.03Å; R226-A270 HydrophobicContact CG-CB 4.13Å; T252-A270 CarbonylContact C-O 3.49Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.45Å; E253-A270 HydrophobicContact CB-CB 4.41Å; E253-A270 PolarHBondContact N-O 2.98Å; E253-A270 PolarHBondContact O-N 3.12Å; W268-A270 HydrophobicContact CE3-CB 3.91Å; W268-A270 HydrophobicContact CZ3-CB 3.6Å
271	V	98.1	Very high	96.2	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.6	176.1	62.8	0	0	0	0	108.9	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.28Å; L225-V271 HydrophobicContact CB-CG1 4.24Å; L225-V271 PolarHBondContact N-O 2.91Å; L225-V271 PolarHBondContact O-N 3Å; W241-V271 HydrophobicContact CB-CG1 4.36Å; W241-V271 HydrophobicContact CD2-CG1 3.62Å; W241-V271 HydrophobicContact CE3-CG1 4.04Å; W241-V271 HydrophobicContact CG-CB 4.16Å; W241-V271 HydrophobicContact CG-CG1 3.76Å; W241-V271 HydrophobicContact CZ2-CG1 4.35Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.43Å; V271-Y281 HydrophobicContact CG1-CD1 4Å; V271-Y281 HydrophobicContact CG1-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4.39Å; V271-Y281 HydrophobicContact CG2-CE1 4.01Å
272	V	97.7	Very high	96.5	Very high	70 Å²	70	39.2 Å²	39.2	42%	0.424	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128.2	171.3	-179.5	0	0	0	0	108.1	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 4.08Å; I218-V272 HydrophobicContact CD1-CG2 4.09Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.33Å; A223-V272 WeakPolarHBondContact O-CA 3.36Å
273	V	96.8	Very high	96.7	Very high	1 Å²	1	34 Å²	34	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.7	-175.8	-51.9	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.36Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 3.33Å; A223-V273 PolarHBondContact O-N 2.84Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.1Å; L225-V273 HydrophobicContact CG-CG1 4.11Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG1 3.79Å; V271-V273 HydrophobicContact CG2-CG1 4.43Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.6	Very high	97	Very high	46 Å²	46	32.9 Å²	32.9	30%	0.299	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	140.1	170	-19.8	32	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.49Å; H221-P274 WeakPolarHBondContact O-CA 3.13Å; P274-G276 PolarHBondContact O-N 2.92Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact O-CB 3.44Å; P274-E277 PolarHBondContact O-N 2.83Å
275	S	93.1	Very high	97	Very high	53 Å²	53	32 Å²	32	37%	0.371	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	127.9	175.2	-63.7	0	0	0	0	110.9	D220 H221 E222 E277 E278	D220-S275 PolarHBondContact O-OG 3.22Å; H221-S275 PolarHBondContact O-N 2.9Å; H221-S275 PolarHBondContact O-OG 2.91Å; E222-S275 PolarHBondContact N-OG 3.08Å; S275-E277 VanDerWaalsContact C-N 3.35Å; S275-E278 WeakPolarHBondContact CA-OE1 3.41Å
276	G	91.8	Very high	97	Very high	67 Å²	67	33.6 Å²	33.6	69%	0.691	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.5	-6.3	-178.3	0	0	0	0	0	114.9	P274 E278	P274-G276 PolarHBondContact O-N 2.92Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.01Å; G276-E278 PolarHBondContact N-OE2 3.37Å
277	E	95.7	Very high	96.9	Very high	53 Å²	53	32.2 Å²	32.2	25%	0.248	18%	0.178	C	C	.	.			trans	-99.5	3.7	175.8	-65.6	-159.5	-156.9	0	0	113.7	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.69Å; R243-E277 IonicContact NE-OE2 3.75Å; R243-E277 IonicContact NH2-OE1 2.66Å; R243-E277 IonicContact NH2-OE2 3.5Å; R243-E277 PolarHBondContact NH2-OE2 2.62Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 HydrophobicContact CG-CG 4.48Å; P274-E277 WeakPolarHBondContact O-CB 3.44Å; P274-E277 PolarHBondContact O-N 2.83Å; S275-E277 VanDerWaalsContact C-N 3.35Å; E277-Q279 PolarHBondContact O-N 3.48Å; E277-R280 WeakPolarHBondContact O-CB 3.1Å; E277-R280 PolarHBondContact O-N 3.46Å; E277-R280 IonicContact OE1-NH1 2.7Å; E277-R280 IonicContact OE2-CZ 3.49Å; E277-R280 IonicContact OE2-NE 3.81Å; E277-R280 IonicContact OE2-NH1 2.63Å; E277-R280 PolarHBondContact OE2-NH1 3.26Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.33Å
278	E	95.2	Very high	96.6	Very high	20 Å²	20	35.1 Å²	35.1	9%	0.093	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-57.5	-32.7	-170.6	-56.6	81.6	-178.4	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.57Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.45Å; L225-E278 HydrophobicContact CD2-CG 4.3Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; S275-E278 WeakPolarHBondContact CA-OE1 3.41Å; G276-E278 WeakPolarHBondContact CA-OE2 3.42Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.01Å; G276-E278 PolarHBondContact N-OE2 3.37Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.26Å; E278-Y281 PolarHBondContact O-N 3.29Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.88Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å
279	Q	95.3	Very high	96.4	Very high	92 Å²	92	34.8 Å²	34.8	43%	0.43	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-72.5	-16.5	-179.2	-62.8	-56.8	-45.8	0	0	114.1	E277 R297 W298	E277-Q279 PolarHBondContact O-N 3.48Å; Q279-R297 PolarHBondContact O-NE 3.43Å; Q279-W298 PolarHBondContact NE2-O 2.94Å
280	R	96.9	Very high	96.3	Very high	99 Å²	99	36.1 Å²	36.1	37%	0.374	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-75.5	-17.8	172.9	-63.2	173.8	67.4	178.6	5.4	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 2.96Å; R243-R280 HydrophobicContact CG-CB 4.38Å; D244-R280 PolarHBondContact N-O 2.85Å; D244-R280 IonicContact OD1-NE 3.45Å; D244-R280 PolarHBondContact OD1-NE 2.83Å; D244-R280 IonicContact OD2-CZ 3.11Å; D244-R280 IonicContact OD2-NE 2.8Å; D244-R280 PolarHBondContact OD2-NE 2.64Å; D244-R280 IonicContact OD2-NH2 3.79Å; D244-R280 PolarHBondContact OD2-NH2 3.12Å; E277-R280 WeakPolarHBondContact O-CB 3.1Å; E277-R280 PolarHBondContact O-N 3.46Å; E277-R280 IonicContact OE1-NH1 2.7Å; E277-R280 IonicContact OE2-CZ 3.49Å; E277-R280 IonicContact OE2-NE 3.81Å; E277-R280 IonicContact OE2-NH1 2.63Å; E277-R280 PolarHBondContact OE2-NH1 3.26Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.26Å
281	Y	97.7	Very high	96.1	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.027	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.6	-177.7	-69.3	-100.2	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278	Q242-Y281 CarbonylContact O-C 3.53Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.29Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 WeakPolarHBondContact CD-OH 3.47Å; R243-Y281 HydrophobicContact CG-CD1 4.47Å; R243-Y281 HydrophobicContact CG-CD2 4.45Å; R243-Y281 HydrophobicContact CG-CE1 4.1Å; R243-Y281 HydrophobicContact CG-CE2 4.05Å; Q248-Y281 HydrophobicContact CG-CE1 4.32Å; V271-Y281 HydrophobicContact CG1-CD1 4Å; V271-Y281 HydrophobicContact CG1-CE1 4.38Å; V271-Y281 HydrophobicContact CG2-CD1 4.39Å; V271-Y281 HydrophobicContact CG2-CE1 4.01Å; V273-Y281 HydrophobicContact CB-CD2 4.02Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.71Å; V273-Y281 HydrophobicContact CG1-CD2 3.61Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.56Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.41Å; E277-Y281 WeakPolarHBondContact O-CD2 3.33Å; E278-Y281 PolarHBondContact O-N 3.29Å
282	T	98.1	Very high	95.8	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.9	175.5	48.1	0	0	0	0	110.6	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.47Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; Q242-T282 PolarHBondContact N-O 3.18Å; Q242-T282 PolarHBondContact O-N 3.25Å; T282-H284 PolarHBondContact OG1-NE2 3.38Å; T282-T295 HydrophobicContact CG2-CG2 3.93Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.38Å; T282-R297 HydrophobicContact CG2-CG 3.65Å
283	C	98.3	Very high	95.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.1	169.5	175	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.5Å; C227-C283 WeakPolarHBondContact SG-CB 3.38Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.99Å; T240-C283 CarbonylContact O-C 3.55Å; T240-C283 WeakPolarHBondContact O-CA 3.38Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.96Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 3.97Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.43Å; C283-L296 HydrophobicContact CB-CB 4.35Å; C283-L296 PolarHBondContact N-O 3.25Å; C283-L296 PolarHBondContact O-N 2.83Å
284	H	98	Very high	95.8	Very high	37 Å²	37	51.6 Å²	51.6	17%	0.171	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.4	176.5	-64.6	-109.3	0	0	0	109.6	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.31Å; T240-H284 PolarHBondContact N-O 2.86Å; T240-H284 PolarHBondContact O-N 2.85Å; Q242-H284 PolarHBondContact OE1-NE2 3.38Å; T282-H284 PolarHBondContact OG1-NE2 3.38Å; H284-L294 WeakPolarHBondContact CA-O 3.26Å; H284-T295 PolarHBondContact CE1-OG1 2.85Å; H284-T295 PolarHBondContact ND1-OG1 2.84Å
285	V	98.2	Very high	95.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122.4	-178.7	-174.2	0	0	0	0	109.2	P209 T211 I237 A238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.94Å; T211-V285 HydrophobicContact CG2-CB 4.33Å; T211-V285 HydrophobicContact CG2-CG1 4.07Å; T211-V285 HydrophobicContact CG2-CG2 3.97Å; I237-V285 HydrophobicContact CD1-CG1 4.02Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; A238-V285 WeakPolarHBondContact O-CA 3.14Å; L239-V285 HydrophobicContact CD1-CG1 4.11Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; V285-P293 WeakPolarHBondContact O-CA 3.5Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 2.85Å; V285-L294 PolarHBondContact O-N 3.41Å; V285-L296 HydrophobicContact CG2-CD1 3.77Å
286	Q	97.4	Very high	96	Very high	59 Å²	59	52.3 Å²	52.3	28%	0.276	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.2	173.7	-53.5	-178.8	10.7	0	0	109.2	I237 A238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.27Å; I237-Q286 WeakPolarHBondContact CG1-O 3.44Å; A238-Q286 HydrophobicContact CB-CB 4.19Å; A238-Q286 PolarHBondContact N-O 2.98Å; A238-Q286 PolarHBondContact O-N 2.87Å; Q286-P293 HydrophobicContact CG-CB 4.07Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
287	H	96.1	Very high	96.3	Very high	13 Å²	13	56 Å²	56	6%	0.06	28%	0.281	C	S	.	.			trans	-158.1	146.1	-178.4	-174.1	-99.5	0	0	0	108.9	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.18Å; D207-H287 VanDerWaalsContact O-CE1 3.32Å; P209-H287 HydrophobicContact CG-CB 4.07Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.69Å; Y233-H287 PolarHBondContact O-CE1 2.95Å; P234-H287 PolarHBondContact O-NE2 3.44Å; E236-H287 PolarHBondContact O-CD2 3.41Å; I237-H287 HydrophobicContact CD1-CB 4.33Å; I237-H287 HydrophobicContact CG1-CB 4.08Å; H287-G289 PolarHBondContact ND1-N 3.25Å; H287-G289 PolarHBondContact O-N 2.85Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.27Å; H287-L290 PolarHBondContact O-N 3.09Å
288	E	93.4	Very high	96.3	Very high	78 Å²	78	55.7 Å²	55.7	36%	0.364	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-34.4	-179.4	-173.9	-173.7	174.3	0	0	112.9	A206 P234 L290	A206-E288 HydrophobicContact CB-CG 4.42Å; P234-E288 WeakPolarHBondContact CG-OE2 3.42Å; E288-L290 PolarHBondContact O-N 2.83Å
289	G	93.8	Very high	96	Very high	19 Å²	19	62.6 Å²	62.6	20%	0.196	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.9	178	0	0	0	0	0	114.1	H287	H287-G289 PolarHBondContact ND1-N 3.25Å; H287-G289 PolarHBondContact O-N 2.85Å
290	L	95.4	Very high	95.4	Very high	28 Å²	28	62.1 Å²	62.1	15%	0.147	31%	0.314	C	S	.	.			trans	-95.4	126.7	179.4	-65.9	170.9	0	0	0	110.9	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.89Å; P208-L290 HydrophobicContact CB-CG 4.43Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.43Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; H287-L290 HydrophobicContact CB-CD1 3.96Å; H287-L290 HydrophobicContact CB-CG 4.16Å; H287-L290 WeakPolarHBondContact O-CB 3.27Å; H287-L290 PolarHBondContact O-N 3.09Å; E288-L290 PolarHBondContact O-N 2.83Å; L290-K292 WeakPolarHBondContact CB-O 3.38Å; L290-K292 PolarHBondContact O-N 3.38Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CG 3.96Å
291	P	93.4	Very high	93.8	Very high	135 Å²	135	62.1 Å²	62.1	88%	0.877	33%	0.33	S	S	*	.	S	Bend	trans	-66.6	-21.2	176.9	28	-35.3	0	0	0	112.8
292	K	93.8	Very high	91.5	Very high	149 Å²	149	67.3 Å²	67.3	65%	0.648	37%	0.367	S	S	*	.	S	Bend	trans	-151.1	150.4	172.5	59	178.5	179.4	177.5	0	109.2	L290	L290-K292 WeakPolarHBondContact CB-O 3.38Å; L290-K292 PolarHBondContact O-N 3.38Å
293	P	95.9	Very high	88.9	Confident	65 Å²	65	74.6 Å²	74.6	42%	0.422	40%	0.4	S	S	.	.			trans	-51.9	142.2	172.3	-28	36.3	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.5Å; Q286-P293 HydrophobicContact CG-CB 4.07Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
294	L	97	Very high	86.2	Confident	53 Å²	53	79 Å²	79	28%	0.277	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	144.2	174.2	-62.6	178.3	0	0	0	110.1	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.28Å; H284-L294 WeakPolarHBondContact CA-O 3.26Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 2.85Å; V285-L294 PolarHBondContact O-N 3.41Å; L290-L294 HydrophobicContact CD1-CD1 4Å; L290-L294 HydrophobicContact CD1-CG 3.88Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CG 3.96Å; L294-L296 HydrophobicContact CB-CD1 4.1Å
295	T	97.9	Very high	83.8	Confident	85 Å²	85	83.1 Å²	83.1	52%	0.521	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118.1	170.8	-58.6	0	0	0	0	108	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.93Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.43Å; H284-T295 PolarHBondContact CE1-OG1 2.85Å; H284-T295 PolarHBondContact ND1-OG1 2.84Å
296	L	97.3	Very high	81.5	Confident	29 Å²	29	87.8 Å²	87.8	15%	0.152	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	143.7	-178.2	-61.1	101	0	0	0	110.6	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.44Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.48Å; V213-L296 HydrophobicContact CG2-CB 3.8Å; T282-L296 CarbonylContact C-O 3.53Å; T282-L296 VanDerWaalsContact CA-O 3.32Å; T282-L296 WeakPolarHBondContact CA-O 3.38Å; C283-L296 HydrophobicContact CB-CB 4.35Å; C283-L296 PolarHBondContact N-O 3.25Å; C283-L296 PolarHBondContact O-N 2.83Å; V285-L296 HydrophobicContact CG2-CD1 3.77Å; L294-L296 HydrophobicContact CB-CD1 4.1Å
297	R	96.5	Very high	79.5	Confident	144 Å²	144	89 Å²	89	54%	0.543	50%	0.495	S	S	.	.			trans	-115.2	163.3	163.5	-71.5	-171.2	174.8	112.6	3.6	109.1	Q279 T282 E299	Q279-R297 PolarHBondContact O-NE 3.43Å; T282-R297 HydrophobicContact CG2-CG 3.65Å; R297-E299 PolarHBondContact O-N 3.07Å
298	W	96.1	Very high	77.8	Confident	46 Å²	46	94 Å²	94	17%	0.174	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-68.8	121.8	166.4	171	56.7	0	0	0	109.9	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.81Å; H215-W298 HydrophobicContact CB-CD2 4.04Å; H215-W298 VanDerWaalsContact CB-CE2 3.48Å; H215-W298 HydrophobicContact CB-CG 4.1Å; H215-W298 HydrophobicContact CB-CZ2 3.96Å; H215-W298 AromaticContact CG-CE2 3.73Å; H215-W298 AromaticContact CG-CZ2 3.75Å; H215-W298 AromaticContact ND1-CZ2 3.88Å; L225-W298 HydrophobicContact CD1-CB 4.42Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.4Å; L225-W298 HydrophobicContact CD2-CG 3.99Å; E278-W298 HydrophobicContact CB-CD2 4.45Å; E278-W298 HydrophobicContact CB-CE3 3.44Å; E278-W298 VanDerWaalsContact CB-CE3 3.44Å; E278-W298 HydrophobicContact CB-CZ3 3.88Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å; Q279-W298 PolarHBondContact NE2-O 2.94Å; W298-P300 HydrophobicContact CE3-CG 4.35Å; W298-P300 HydrophobicContact CH2-CB 4.19Å; W298-P300 HydrophobicContact CH2-CG 3.92Å; W298-P300 HydrophobicContact CZ2-CB 3.97Å; W298-P300 HydrophobicContact CZ2-CG 4.05Å; W298-P300 HydrophobicContact CZ3-CG 4.07Å
299	E	89.9	Confident	76.4	Confident	166 Å²	166	96.2 Å²	96.2	78%	0.776	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-98.4	117.8	168.5	-70.5	-179	176	0	0	108.2	R297 S301	R297-E299 PolarHBondContact O-N 3.07Å; E299-S301 PolarHBondContact O-N 3.35Å; E299-S301 VanDerWaalsContact O-N 3.09Å
300	P	82.3	Confident	75.2	Confident	81 Å²	81	97.4 Å²	97.4	53%	0.526	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-56.2	121.1	170.5	-19	29.4	0	0	0	107.4	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.35Å; W298-P300 HydrophobicContact CH2-CB 4.19Å; W298-P300 HydrophobicContact CH2-CG 3.92Å; W298-P300 HydrophobicContact CZ2-CB 3.97Å; W298-P300 HydrophobicContact CZ2-CG 4.05Å; W298-P300 HydrophobicContact CZ3-CG 4.07Å; P300-S302 PolarHBondContact O-N 3.13Å
301	S	64	Low	74.1	Confident	100 Å²	100	100.6 Å²	100.6	70%	0.699	57%	0.569	S	S	*	*			trans	-51.1	114.9	179.3	47.3	0	0	0	0	108.5	E299 Q303	E299-S301 PolarHBondContact O-N 3.35Å; E299-S301 VanDerWaalsContact O-N 3.09Å; S301-Q303 PolarHBondContact O-N 3.22Å
302	S	47.9	Very low	73.4	Confident	115 Å²	115	98.4 Å²	98.4	80%	0.804	55%	0.553	S	S	*	*			trans	-68.3	78	162.8	61.4	0	0	0	0	106.1	P300 S304	P300-S302 PolarHBondContact O-N 3.13Å; S302-S304 PolarHBondContact O-N 3.45Å
303	Q	44.8	Very low	72.6	Confident	165 Å²	165	93.8 Å²	93.8	77%	0.771	54%	0.542	S	S	*	.			trans	-57.9	92.6	146.7	-83.5	-174.7	-13.1	0	0	103.5	S301 T305	S301-Q303 PolarHBondContact O-N 3.22Å; Q303-T305 PolarHBondContact O-N 2.61Å; Q303-T305 PolarHBondContact O-OG1 3.21Å
304	S	40.9	Very low	72	Confident	92 Å²	92	92.4 Å²	92.4	64%	0.643	54%	0.54	S	S	*	.			trans	-56.2	96.4	160	-178.8	0	0	0	0	103.3	S302 I306	S302-S304 PolarHBondContact O-N 3.45Å; S304-I306 PolarHBondContact O-N 3.49Å
305	T	47	Very low	71.5	Confident	124 Å²	124	95.2 Å²	95.2	76%	0.761	55%	0.554	S	S	*	*			trans	-64.1	76.2	157.2	-31.7	0	0	0	0	103.5	Q303 P307	Q303-T305 PolarHBondContact O-N 2.61Å; Q303-T305 PolarHBondContact O-OG1 3.21Å; T305-P307 WeakPolarHBondContact O-CD 3.39Å
306	I	50	Low	70.9	Confident	98 Å²	98	93.8 Å²	93.8	50%	0.503	55%	0.551	S	S	.	*			trans	-45.3	119.8	155.4	-62.9	176.1	0	0	0	102.1	S304 I308 I311	S304-I306 PolarHBondContact O-N 3.49Å; I306-I308 HydrophobicContact CG2-CG1 4.42Å; I306-I308 WeakPolarHBondContact O-CG1 3.35Å; I306-I308 PolarHBondContact O-N 3.04Å; I306-I311 HydrophobicContact CG2-CD1 3.97Å
307	P	55.8	Low	70.4	Confident	83 Å²	83	96.9 Å²	96.9	54%	0.539	57%	0.571	S	S	.	*			trans	-73.1	77.1	-173.7	29.2	-32.7	0	0	0	106.6	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.39Å; P307-V309 PolarHBondContact O-N 2.96Å; P307-G310 WeakPolarHBondContact O-CA 3.49Å; P307-G310 PolarHBondContact O-N 2.82Å; P307-I311 PolarHBondContact O-N 3.32Å
308	I	60.1	Low	69.9	Low	120 Å²	120	95.2 Å²	95.2	62%	0.615	57%	0.573	S	S	*	*	H	α-helix	trans	-56	-36.2	177.9	-67	166.6	0	0	0	107.6	I306 G310 I311 V312	I306-I308 HydrophobicContact CG2-CG1 4.42Å; I306-I308 WeakPolarHBondContact O-CG1 3.35Å; I306-I308 PolarHBondContact O-N 3.04Å; I308-G310 PolarHBondContact O-N 3.47Å; I308-I311 PolarHBondContact O-N 3.08Å; I308-V312 HydrophobicContact CG2-CG2 4.28Å; I308-V312 WeakPolarHBondContact O-CB 3.47Å; I308-V312 WeakPolarHBondContact O-CG2 3.44Å; I308-V312 PolarHBondContact O-N 2.79Å
309	V	64	Low	69.4	Low	124 Å²	124	95.4 Å²	95.4	75%	0.752	58%	0.584	S	S	*	*	H	α-helix	trans	-60.5	-42	172	-177.3	0	0	0	0	112.3	P307 A313	P307-V309 PolarHBondContact O-N 2.96Å; V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.1Å; V309-A313 PolarHBondContact O-N 3.32Å
310	G	68.8	Low	69.3	Low	44 Å²	44	92.4 Å²	92.4	45%	0.454	58%	0.576	S	S	.	*	H	α-helix	trans	-68.7	-38.8	178.6	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.49Å; P307-G310 PolarHBondContact O-N 2.82Å; I308-G310 PolarHBondContact O-N 3.47Å; G310-G314 PolarHBondContact O-N 3.45Å
311	I	73.8	Confident	69.5	Low	94 Å²	94	93 Å²	93	48%	0.482	58%	0.579	S	S	.	*	H	α-helix	trans	-69.2	-44	176.3	-62.2	173	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.97Å; P307-I311 PolarHBondContact O-N 3.32Å; I308-I311 PolarHBondContact O-N 3.08Å; I311-G314 PolarHBondContact O-N 3.42Å; I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.38Å; I311-L315 WeakPolarHBondContact O-CG 3.46Å; I311-L315 PolarHBondContact O-N 3.03Å
312	V	77	Confident	70.5	Confident	90 Å²	90	92.1 Å²	92.1	55%	0.545	57%	0.569	S	S	.	*	H	α-helix	trans	-64.7	-43.5	177.6	171.9	0	0	0	0	111.1	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.28Å; I308-V312 WeakPolarHBondContact O-CB 3.47Å; I308-V312 WeakPolarHBondContact O-CG2 3.44Å; I308-V312 PolarHBondContact O-N 2.79Å; V312-L315 PolarHBondContact O-N 2.73Å; V312-A316 WeakPolarHBondContact O-CB 3.17Å; V312-A316 PolarHBondContact O-N 2.92Å
313	A	78.7	Confident	72.3	Confident	52 Å²	52	91.8 Å²	91.8	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-62.8	-43.5	175.1	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.1Å; V309-A313 PolarHBondContact O-N 3.32Å; A313-A316 PolarHBondContact O-N 3.29Å; A313-V317 WeakPolarHBondContact O-CG2 3.47Å; A313-V317 PolarHBondContact O-N 3.29Å
314	G	83.4	Confident	74.1	Confident	36 Å²	36	85.9 Å²	85.9	37%	0.371	54%	0.54	S	S	.	.	H	α-helix	trans	-61.5	-44.4	176.8	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.45Å; I311-G314 PolarHBondContact O-N 3.42Å; G314-V317 PolarHBondContact O-N 2.9Å; G314-L318 PolarHBondContact O-N 2.84Å
315	L	86.5	Confident	76	Confident	111 Å²	111	84.2 Å²	84.2	58%	0.581	53%	0.532	S	S	*	.	H	α-helix	trans	-66.2	-38.5	177.2	-73.5	171.4	0	0	0	112.5	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.38Å; I311-L315 WeakPolarHBondContact O-CG 3.46Å; I311-L315 PolarHBondContact O-N 3.03Å; V312-L315 PolarHBondContact O-N 2.73Å; L315-L318 PolarHBondContact O-N 2.86Å; L315-A319 WeakPolarHBondContact O-CB 3.49Å; L315-A319 PolarHBondContact O-N 2.98Å
316	A	84.3	Confident	77.7	Confident	55 Å²	55	82.1 Å²	82.1	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-43.3	176.5	0	0	0	0	0	111.9	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.17Å; V312-A316 PolarHBondContact O-N 2.92Å; A313-A316 PolarHBondContact O-N 3.29Å; A316-A319 PolarHBondContact O-N 3.36Å; A316-V320 WeakPolarHBondContact O-CG2 3.36Å; A316-V320 PolarHBondContact O-N 3Å; A316-V320 VanDerWaalsContact O-N 3.1Å
317	V	86.2	Confident	79.1	Confident	95 Å²	95	81.1 Å²	81.1	58%	0.576	52%	0.517	S	S	*	.	H	α-helix	trans	-63.3	-44.3	176.3	173.4	0	0	0	0	110.9	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.47Å; A313-V317 PolarHBondContact O-N 3.29Å; G314-V317 PolarHBondContact O-N 2.9Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.93Å; V317-V320 PolarHBondContact O-N 3.3Å; V317-V321 HydrophobicContact CG1-CG2 4.47Å; V317-V321 WeakPolarHBondContact O-CG2 3.27Å; V317-V321 PolarHBondContact O-N 2.98Å
318	L	86.8	Confident	80.1	Confident	109 Å²	109	79.6 Å²	79.6	57%	0.571	51%	0.511	S	S	*	.	H	α-helix	trans	-58.9	-44.1	176	-106	155.3	0	0	0	112.2	G314 L315 V320 V321 V322	G314-L318 PolarHBondContact O-N 2.84Å; L315-L318 PolarHBondContact O-N 2.86Å; L318-V320 PolarHBondContact O-N 3.04Å; L318-V321 PolarHBondContact O-N 3.47Å; L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.49Å; L318-V322 PolarHBondContact O-N 3.38Å
319	A	86.3	Confident	80.8	Confident	49 Å²	49	77.9 Å²	77.9	41%	0.405	51%	0.506	S	S	.	.	H	α-helix	trans	-61.2	-43.6	177.3	0	0	0	0	0	112	L315 A316 V317 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.49Å; L315-A319 PolarHBondContact O-N 2.98Å; A316-A319 PolarHBondContact O-N 3.36Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.93Å; A319-V322 PolarHBondContact O-N 3.4Å; A319-I323 WeakPolarHBondContact O-CB 3.42Å; A319-I323 WeakPolarHBondContact O-CD1 3.4Å; A319-I323 VanDerWaalsContact O-CG1 3.22Å; A319-I323 WeakPolarHBondContact O-CG1 3.48Å; A319-I323 PolarHBondContact O-N 3.05Å
320	V	86.4	Confident	81.3	Confident	103 Å²	103	75.8 Å²	75.8	62%	0.624	49%	0.494	S	S	*	.	H	α-helix	trans	-63.3	-42.4	177.4	173.4	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.36Å; A316-V320 PolarHBondContact O-N 3Å; A316-V320 VanDerWaalsContact O-N 3.1Å; V317-V320 PolarHBondContact O-N 3.3Å; L318-V320 PolarHBondContact O-N 3.04Å; V320-I323 PolarHBondContact O-N 2.89Å; V320-G324 PolarHBondContact O-N 3.24Å
321	V	87.3	Confident	81.5	Confident	94 Å²	94	79.7 Å²	79.7	57%	0.57	50%	0.502	S	S	*	.	H	α-helix	trans	-63.6	-44.2	177.9	172.2	0	0	0	0	111.2	V317 L318 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.47Å; V317-V321 WeakPolarHBondContact O-CG2 3.27Å; V317-V321 PolarHBondContact O-N 2.98Å; L318-V321 PolarHBondContact O-N 3.47Å; V321-G324 PolarHBondContact O-N 3.33Å; V321-A325 WeakPolarHBondContact O-CB 3.16Å; V321-A325 PolarHBondContact O-N 3.17Å
322	V	85.4	Confident	81.3	Confident	81 Å²	81	79.4 Å²	79.4	49%	0.491	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-45.8	178.5	172.4	0	0	0	0	110.8	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.49Å; L318-V322 PolarHBondContact O-N 3.38Å; A319-V322 PolarHBondContact O-N 3.4Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 2.88Å; V322-A325 PolarHBondContact O-N 2.7Å; V322-V326 HydrophobicContact CG1-CG2 4.46Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.14Å; V322-V326 PolarHBondContact O-N 3.38Å
323	I	84.1	Confident	80.7	Confident	109 Å²	109	84.7 Å²	84.7	56%	0.559	52%	0.517	S	S	*	.	H	α-helix	trans	-60.8	-44.9	176.7	-67.4	165.5	0	0	0	110.4	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.42Å; A319-I323 WeakPolarHBondContact O-CD1 3.4Å; A319-I323 VanDerWaalsContact O-CG1 3.22Å; A319-I323 WeakPolarHBondContact O-CG1 3.48Å; A319-I323 PolarHBondContact O-N 3.05Å; V320-I323 PolarHBondContact O-N 2.89Å; I323-A325 PolarHBondContact O-N 2.91Å; I323-V326 PolarHBondContact O-N 3Å; I323-V327 HydrophobicContact CG2-CG2 4.39Å; I323-V327 VanDerWaalsContact O-CG2 3.32Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3.22Å
324	G	83	Confident	79.8	Confident	40 Å²	40	92.2 Å²	92.2	41%	0.412	54%	0.535	S	S	.	.	H	α-helix	trans	-59.1	-44.4	176.5	0	0	0	0	0	112.9	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 3.24Å; V321-G324 PolarHBondContact O-N 3.33Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 2.88Å; G324-V327 PolarHBondContact O-N 3.13Å; G324-A328 WeakPolarHBondContact O-CB 3.48Å; G324-A328 PolarHBondContact O-N 3.33Å
325	A	81.4	Confident	78.4	Confident	57 Å²	57	99.8 Å²	99.8	47%	0.471	56%	0.557	S	S	.	*	H	α-helix	trans	-65.4	-39.7	177.6	0	0	0	0	0	112.6	V321 V322 I323 A328 T329	V321-A325 WeakPolarHBondContact O-CB 3.16Å; V321-A325 PolarHBondContact O-N 3.17Å; V322-A325 PolarHBondContact O-N 2.7Å; I323-A325 PolarHBondContact O-N 2.91Å; A325-A328 PolarHBondContact O-N 2.9Å; A325-T329 WeakPolarHBondContact O-CB 3.31Å; A325-T329 WeakPolarHBondContact O-CG2 3.34Å; A325-T329 PolarHBondContact O-N 2.99Å; A325-T329 PolarHBondContact O-OG1 2.82Å
326	V	82.6	Confident	76.9	Confident	81 Å²	81	99.2 Å²	99.2	49%	0.491	56%	0.563	S	S	.	*	H	α-helix	trans	-65.7	-44.6	175.8	172.9	0	0	0	0	110.9	V322 I323 A328 T329 V330	V322-V326 HydrophobicContact CG1-CG2 4.46Å; V322-V326 VanDerWaalsContact O-CG2 3.3Å; V322-V326 WeakPolarHBondContact O-CG2 3.14Å; V322-V326 PolarHBondContact O-N 3.38Å; I323-V326 PolarHBondContact O-N 3Å; V326-A328 PolarHBondContact O-N 3.39Å; V326-T329 WeakPolarHBondContact CA-OG1 3.19Å; V326-T329 PolarHBondContact O-N 3.15Å; V326-T329 PolarHBondContact O-OG1 2.67Å; V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.34Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.35Å; V326-V330 PolarHBondContact O-N 3.25Å
327	V	80.1	Confident	75.2	Confident	77 Å²	77	104 Å²	104	47%	0.467	59%	0.593	S	S	.	*	H	α-helix	trans	-63.1	-44.3	176.9	172.6	0	0	0	0	111	I323 G324 T329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.39Å; I323-V327 VanDerWaalsContact O-CG2 3.32Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3.22Å; G324-V327 PolarHBondContact O-N 3.13Å; V327-T329 PolarHBondContact O-N 3.28Å; V327-V330 PolarHBondContact O-N 3.18Å; V327-M331 HydrophobicContact CG1-CG 4.35Å; V327-M331 HydrophobicContact CG1-SD 4.05Å; V327-M331 WeakPolarHBondContact O-CB 3.18Å; V327-M331 VanDerWaalsContact O-CG 3.32Å; V327-M331 WeakPolarHBondContact O-CG 3.23Å; V327-M331 PolarHBondContact O-N 3.27Å
328	A	76.4	Confident	74.7	Confident	50 Å²	50	104.5 Å²	104.5	41%	0.413	59%	0.594	S	S	.	*	H	α-helix	trans	-62.3	-42.1	178.2	0	0	0	0	0	112.4	G324 A325 V326 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.48Å; G324-A328 PolarHBondContact O-N 3.33Å; A325-A328 PolarHBondContact O-N 2.9Å; V326-A328 PolarHBondContact O-N 3.39Å; A328-M331 PolarHBondContact O-N 3.18Å; A328-C332 WeakPolarHBondContact O-CB 3.36Å; A328-C332 PolarHBondContact O-N 3.23Å; A328-C332 PolarHBondContact O-SG 2.98Å
329	T	75.1	Confident	74.1	Confident	84 Å²	84	104.2 Å²	104.2	52%	0.515	60%	0.595	S	S	.	*	H	α-helix	trans	-67.9	-40.3	176.8	43.9	0	0	0	0	112.5	A325 V326 V327 C332 R333	A325-T329 WeakPolarHBondContact O-CB 3.31Å; A325-T329 WeakPolarHBondContact O-CG2 3.34Å; A325-T329 PolarHBondContact O-N 2.99Å; A325-T329 PolarHBondContact O-OG1 2.82Å; V326-T329 WeakPolarHBondContact CA-OG1 3.19Å; V326-T329 PolarHBondContact O-N 3.15Å; V326-T329 PolarHBondContact O-OG1 2.67Å; V327-T329 PolarHBondContact O-N 3.28Å; T329-C332 PolarHBondContact O-N 3.18Å; T329-R333 WeakPolarHBondContact O-CG 3.34Å; T329-R333 PolarHBondContact O-N 2.77Å
330	V	74.1	Confident	73.4	Confident	80 Å²	80	107.3 Å²	107.3	49%	0.485	61%	0.605	S	S	.	*	H	α-helix	trans	-64.1	-42.8	173.9	170.8	0	0	0	0	111.2	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.34Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.35Å; V326-V330 PolarHBondContact O-N 3.25Å; V327-V330 PolarHBondContact O-N 3.18Å; V330-R333 PolarHBondContact O-N 2.98Å; V330-R334 PolarHBondContact O-N 2.72Å
331	M	72.2	Confident	72.6	Confident	126 Å²	126	107.5 Å²	107.5	62%	0.621	60%	0.604	S	S	*	*	H	α-helix	trans	-65.1	-40.5	176.7	-74.2	-174.5	70	0	0	112.4	V327 A328 R333 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.35Å; V327-M331 HydrophobicContact CG1-SD 4.05Å; V327-M331 WeakPolarHBondContact O-CB 3.18Å; V327-M331 VanDerWaalsContact O-CG 3.32Å; V327-M331 WeakPolarHBondContact O-CG 3.23Å; V327-M331 PolarHBondContact O-N 3.27Å; A328-M331 PolarHBondContact O-N 3.18Å; M331-R333 VanDerWaalsContact C-N 3.34Å; M331-R333 PolarHBondContact O-N 2.74Å; M331-R334 PolarHBondContact O-N 3.26Å; M331-K335 PolarHBondContact O-N 3.21Å; M331-K335 VanDerWaalsContact O-N 3.14Å
332	C	69.1	Low	71.7	Confident	88 Å²	88	108.4 Å²	108.4	60%	0.595	61%	0.606	S	S	*	*	H	α-helix	trans	-63.6	-39.7	174.9	-70.7	0	0	0	0	111.8	A328 T329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.36Å; A328-C332 PolarHBondContact O-N 3.23Å; A328-C332 PolarHBondContact O-SG 2.98Å; T329-C332 PolarHBondContact O-N 3.18Å; C332-K335 PolarHBondContact O-N 3.31Å; C332-S336 PolarHBondContact O-N 3.31Å; C332-S336 PolarHBondContact O-OG 3.27Å
333	R	64.9	Low	70.8	Confident	201 Å²	201	110.2 Å²	110.2	76%	0.758	61%	0.614	S	S	*	*	H	α-helix	trans	-67.8	-33.9	174.9	-78.4	-174.2	166.5	-178.9	-2.8	113.4	T329 V330 M331 K335 S336	T329-R333 WeakPolarHBondContact O-CG 3.34Å; T329-R333 PolarHBondContact O-N 2.77Å; V330-R333 PolarHBondContact O-N 2.98Å; M331-R333 VanDerWaalsContact C-N 3.34Å; M331-R333 PolarHBondContact O-N 2.74Å; R333-K335 VanDerWaalsContact C-N 3.32Å; R333-S336 WeakPolarHBondContact CA-OG 3.17Å; R333-S336 PolarHBondContact O-OG 2.9Å
334	R	59.9	Low	69.8	Low	211 Å²	211	110.3 Å²	110.3	80%	0.796	62%	0.618	S	S	*	*	H	α-helix	trans	-73.2	-20.7	175.7	-111.6	-176.8	170.3	-179.8	-2.6	114.2	V330 M331	V330-R334 PolarHBondContact O-N 2.72Å; M331-R334 PolarHBondContact O-N 3.26Å
335	K	55.4	Low	68.8	Low	194 Å²	194	115.7 Å²	115.7	84%	0.843	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-7.4	179.5	-133.9	177.2	-175.5	-177.8	0	113.3	M331 C332 R333	M331-K335 PolarHBondContact O-N 3.21Å; M331-K335 VanDerWaalsContact O-N 3.14Å; C332-K335 PolarHBondContact O-N 3.31Å; R333-K335 VanDerWaalsContact C-N 3.32Å
336	S	54	Low	67.8	Low	100 Å²	100	120.6 Å²	120.6	70%	0.699	65%	0.647	S	S	*	*			trans	-112	7	-179.3	42.4	0	0	0	0	113.4	C332 R333	C332-S336 PolarHBondContact O-N 3.31Å; C332-S336 PolarHBondContact O-OG 3.27Å; R333-S336 WeakPolarHBondContact CA-OG 3.17Å; R333-S336 PolarHBondContact O-OG 2.9Å
337	S	49.6	Very low	66.4	Low	155 Å²	155	124.2 Å²	124.2	100%	1.084	66%	0.662	S	S	*	*			trans	-115.6	0	161.7	-177.2	0	0	0	0	108.6

Retrieved 337 of 337 residues in 1360.8 ms (Link to these results)

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