A0A060D4S6_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060D4S6, 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	33.7	Very low	41.2	Very low	240 Å²	240	135.9 Å²	135.9	100%	1.182	70%	0.701	S	S	*	*				0	107.7	0	-70.9	167.4	-170.4	0	0	107.6	V3	M1-V3 PolarHBondContact O-N 3.45Å
2	R	33.5	Very low	41.3	Very low	245 Å²	245	135.2 Å²	135.2	93%	0.925	70%	0.698	S	S	*	*			trans	-82.2	108.6	172.7	-91.1	180	173.1	164.7	-2.5	106.8	T4	R2-T4 PolarHBondContact O-N 3.36Å; R2-T4 VanDerWaalsContact O-N 3.08Å
3	V	34.8	Very low	41.2	Very low	140 Å²	140	132.3 Å²	132.3	85%	0.848	68%	0.684	S	S	*	*			trans	-72.4	99	170.8	179.8	0	0	0	0	106.7	M1 A5	M1-V3 PolarHBondContact O-N 3.45Å; V3-A5 PolarHBondContact O-N 3.08Å
4	T	39.7	Very low	41.2	Very low	125 Å²	125	127.4 Å²	127.4	77%	0.767	67%	0.667	S	S	*	*			trans	-76.1	107.3	168.9	40.4	0	0	0	0	108	R2	R2-T4 PolarHBondContact O-N 3.36Å; R2-T4 VanDerWaalsContact O-N 3.08Å
5	A	40.9	Very low	41.3	Very low	59 Å²	59	122.3 Å²	122.3	49%	0.488	65%	0.65	S	S	.	*			trans	-60.6	143.6	169.3	0	0	0	0	0	109.8	V3 R7	V3-A5 PolarHBondContact O-N 3.08Å; A5-R7 PolarHBondContact O-N 3.26Å
6	P	44.9	Very low	41.4	Very low	77 Å²	77	117.7 Å²	117.7	50%	0.5	64%	0.635	S	S	.	*			trans	-61.7	135.2	-179.6	-14.8	27.3	0	0	0	110.3	T8 V9 L10	P6-T8 PolarHBondContact O-N 3.08Å; P6-V9 HydrophobicContact CB-CG2 4.18Å; P6-V9 HydrophobicContact CG-CG2 4.01Å; P6-V9 WeakPolarHBondContact O-CB 3.31Å; P6-V9 PolarHBondContact O-N 3.49Å; P6-L10 PolarHBondContact O-N 3.44Å
7	R	44.2	Very low	41.2	Very low	222 Å²	222	117.1 Å²	117.1	84%	0.838	63%	0.631	S	S	*	*	H	α-helix	trans	-51.2	-30	179.2	-96.8	178.7	158.9	130.4	-5.7	113.7	A5 L10 L11	A5-R7 PolarHBondContact O-N 3.26Å; R7-L10 PolarHBondContact O-N 2.93Å; R7-L11 VanDerWaalsContact O-CG 3.31Å; R7-L11 WeakPolarHBondContact O-CG 3.49Å; R7-L11 PolarHBondContact O-N 3.03Å; R7-L11 VanDerWaalsContact O-N 3.08Å
8	T	46	Very low	41	Very low	94 Å²	94	113.4 Å²	113.4	58%	0.577	62%	0.619	S	S	*	*	H	α-helix	trans	-68.4	-39.9	175.9	36.6	0	0	0	0	113.2	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 3.08Å; T8-L10 VanDerWaalsContact C-N 3.32Å; T8-L11 PolarHBondContact O-N 2.7Å; T8-L12 WeakPolarHBondContact O-CG 3.46Å; T8-L12 PolarHBondContact O-N 3.35Å
9	V	47.8	Very low	40.9	Very low	68 Å²	68	112.1 Å²	112.1	41%	0.412	61%	0.611	S	S	.	*	H	α-helix	trans	-66.9	-38.2	175.4	178.9	0	0	0	0	110.4	P6 L13	P6-V9 HydrophobicContact CB-CG2 4.18Å; P6-V9 HydrophobicContact CG-CG2 4.01Å; P6-V9 WeakPolarHBondContact O-CB 3.31Å; P6-V9 PolarHBondContact O-N 3.49Å; V9-L13 HydrophobicContact CG1-CD1 3.9Å; V9-L13 WeakPolarHBondContact O-CB 3.37Å; V9-L13 WeakPolarHBondContact O-CD1 3.42Å; V9-L13 WeakPolarHBondContact O-CG 3.39Å; V9-L13 PolarHBondContact O-N 2.94Å
10	L	40.9	Very low	40.8	Very low	106 Å²	106	110.3 Å²	110.3	56%	0.555	60%	0.604	S	S	*	*	H	α-helix	trans	-64.3	-41.3	175.8	-138.5	87.4	0	0	0	111.8	P6 R7 T8 S14	P6-L10 PolarHBondContact O-N 3.44Å; R7-L10 PolarHBondContact O-N 2.93Å; T8-L10 VanDerWaalsContact C-N 3.32Å; L10-S14 WeakPolarHBondContact O-CB 3.4Å; L10-S14 PolarHBondContact O-N 2.62Å; L10-S14 PolarHBondContact O-OG 2.88Å
11	L	46.8	Very low	40.7	Very low	119 Å²	119	112.8 Å²	112.8	62%	0.623	61%	0.611	S	S	*	*	H	α-helix	trans	-68.9	-40.1	178.3	-74.4	165.3	0	0	0	112.7	R7 T8 S14 A15	R7-L11 VanDerWaalsContact O-CG 3.31Å; R7-L11 WeakPolarHBondContact O-CG 3.49Å; R7-L11 PolarHBondContact O-N 3.03Å; R7-L11 VanDerWaalsContact O-N 3.08Å; T8-L11 PolarHBondContact O-N 2.7Å; L11-S14 WeakPolarHBondContact O-CB 3.45Å; L11-S14 PolarHBondContact O-N 3.02Å; L11-A15 PolarHBondContact O-N 2.61Å
12	L	42.1	Very low	41.2	Very low	127 Å²	127	105.7 Å²	105.7	67%	0.665	58%	0.582	S	S	*	*	H	α-helix	trans	-66.5	-41	175.5	-73.5	167.2	0	0	0	112.1	T8 S14 A15 A16	T8-L12 WeakPolarHBondContact O-CG 3.46Å; T8-L12 PolarHBondContact O-N 3.35Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-A15 PolarHBondContact O-N 3.01Å; L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 3.04Å
13	L	40.8	Very low	42	Very low	98 Å²	98	96.8 Å²	96.8	51%	0.513	55%	0.548	S	S	.	.	H	α-helix	trans	-64.2	-37.3	172.4	-77.6	162.8	0	0	0	111.8	V9 L17	V9-L13 HydrophobicContact CG1-CD1 3.9Å; V9-L13 WeakPolarHBondContact O-CB 3.37Å; V9-L13 WeakPolarHBondContact O-CD1 3.42Å; V9-L13 WeakPolarHBondContact O-CG 3.39Å; V9-L13 PolarHBondContact O-N 2.94Å; L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.11Å; L13-L17 WeakPolarHBondContact O-CD1 3.41Å; L13-L17 VanDerWaalsContact O-CG 3.23Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.01Å
14	S	40.2	Very low	43.1	Very low	63 Å²	63	93 Å²	93	44%	0.441	53%	0.531	S	S	.	.	H	α-helix	trans	-67	-40.9	177	-52.8	0	0	0	0	111.9	L10 L11 L12 A18	L10-S14 WeakPolarHBondContact O-CB 3.4Å; L10-S14 PolarHBondContact O-N 2.62Å; L10-S14 PolarHBondContact O-OG 2.88Å; L11-S14 WeakPolarHBondContact O-CB 3.45Å; L11-S14 PolarHBondContact O-N 3.02Å; L12-S14 VanDerWaalsContact C-N 3.32Å; S14-A18 VanDerWaalsContact O-CB 3.25Å; S14-A18 WeakPolarHBondContact O-CB 3.33Å; S14-A18 PolarHBondContact O-N 2.92Å
15	A	42.8	Very low	44.9	Very low	51 Å²	51	88.1 Å²	88.1	42%	0.421	51%	0.506	S	S	.	.	H	α-helix	trans	-68.4	-43	176.3	0	0	0	0	0	111.6	L11 L12 A18 L19	L11-A15 PolarHBondContact O-N 2.61Å; L12-A15 PolarHBondContact O-N 3.01Å; A15-A18 PolarHBondContact O-N 2.88Å; A15-L19 WeakPolarHBondContact O-CB 3.25Å; A15-L19 WeakPolarHBondContact O-CD1 3.34Å; A15-L19 PolarHBondContact O-N 2.94Å
16	A	42.9	Very low	47.4	Very low	49 Å²	49	87.9 Å²	87.9	41%	0.405	50%	0.501	S	S	.	.	H	α-helix	trans	-64.2	-41.2	175.3	0	0	0	0	0	112.2	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 3.04Å; A16-L19 PolarHBondContact O-N 2.66Å; A16-T20 WeakPolarHBondContact O-CG2 3.2Å; A16-T20 PolarHBondContact O-N 3.05Å; A16-T20 PolarHBondContact O-OG1 3.28Å
17	L	38.4	Very low	49.8	Very low	107 Å²	107	85.5 Å²	85.5	56%	0.56	48%	0.483	S	S	*	.	H	α-helix	trans	-66.5	-41.7	175.7	-78.5	164.1	0	0	0	112.2	L13 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.23Å; L13-L17 WeakPolarHBondContact O-CB 3.11Å; L13-L17 WeakPolarHBondContact O-CD1 3.41Å; L13-L17 VanDerWaalsContact O-CG 3.23Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.01Å; L17-T20 VanDerWaalsContact CA-OG1 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.49Å; L17-T20 PolarHBondContact O-N 2.92Å; L17-T20 PolarHBondContact O-OG1 2.87Å; L17-E21 PolarHBondContact O-N 2.98Å
18	A	37.8	Very low	52.3	Low	51 Å²	51	76 Å²	76	42%	0.421	45%	0.451	S	S	.	.	H	α-helix	trans	-63.4	-41	175.9	0	0	0	0	0	111.7	S14 A15 E21 T22	S14-A18 VanDerWaalsContact O-CB 3.25Å; S14-A18 WeakPolarHBondContact O-CB 3.33Å; S14-A18 PolarHBondContact O-N 2.92Å; A15-A18 PolarHBondContact O-N 2.88Å; A18-E21 PolarHBondContact O-N 2.8Å; A18-T22 VanDerWaalsContact O-CG2 3.3Å; A18-T22 WeakPolarHBondContact O-CG2 3.23Å; A18-T22 PolarHBondContact O-N 3.43Å; A18-T22 VanDerWaalsContact O-N 3.07Å; A18-T22 PolarHBondContact O-OG1 3.35Å; A18-T22 VanDerWaalsContact O-OG1 3.12Å
19	L	38.1	Very low	54.9	Low	89 Å²	89	71.5 Å²	71.5	47%	0.466	42%	0.423	S	S	.	.	H	α-helix	trans	-63.4	-43.6	173.2	-89.9	142.1	0	0	0	111.6	A15 A16 T22	A15-L19 WeakPolarHBondContact O-CB 3.25Å; A15-L19 WeakPolarHBondContact O-CD1 3.34Å; A15-L19 PolarHBondContact O-N 2.94Å; A16-L19 PolarHBondContact O-N 2.66Å; L19-T22 WeakPolarHBondContact CA-OG1 3.23Å; L19-T22 PolarHBondContact O-N 2.92Å; L19-T22 PolarHBondContact O-OG1 3.41Å
20	T	39.8	Very low	57.3	Low	76 Å²	76	70.8 Å²	70.8	47%	0.466	41%	0.413	S	S	.	.	H	α-helix	trans	-67.3	-35.2	176.7	53.4	0	0	0	0	114	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.2Å; A16-T20 PolarHBondContact O-N 3.05Å; A16-T20 PolarHBondContact O-OG1 3.28Å; L17-T20 VanDerWaalsContact CA-OG1 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.49Å; L17-T20 PolarHBondContact O-N 2.92Å; L17-T20 PolarHBondContact O-OG1 2.87Å; T20-T22 VanDerWaalsContact C-N 3.35Å
21	E	38.9	Very low	60	Low	162 Å²	162	66.1 Å²	66.1	76%	0.757	39%	0.388	S	S	*	.	H	α-helix	trans	-70.8	-30.3	175.6	-94.2	-174.3	156.8	0	0	112.2	L17 A18 W23	L17-E21 PolarHBondContact O-N 2.98Å; A18-E21 PolarHBondContact O-N 2.8Å; E21-W23 VanDerWaalsContact C-N 3.3Å; E21-W23 PolarHBondContact O-N 3.44Å
22	T	44.1	Very low	62.5	Low	92 Å²	92	64.5 Å²	64.5	56%	0.564	38%	0.376	S	S	*	.	H	α-helix	trans	-73.9	-16.6	179.2	51.1	0	0	0	0	114.5	A18 L19 T20	A18-T22 VanDerWaalsContact O-CG2 3.3Å; A18-T22 WeakPolarHBondContact O-CG2 3.23Å; A18-T22 PolarHBondContact O-N 3.43Å; A18-T22 VanDerWaalsContact O-N 3.07Å; A18-T22 PolarHBondContact O-OG1 3.35Å; A18-T22 VanDerWaalsContact O-OG1 3.12Å; L19-T22 WeakPolarHBondContact CA-OG1 3.23Å; L19-T22 PolarHBondContact O-N 2.92Å; L19-T22 PolarHBondContact O-OG1 3.41Å; T20-T22 VanDerWaalsContact C-N 3.35Å
23	W	49.3	Very low	65.2	Low	57 Å²	57	58.6 Å²	58.6	22%	0.216	35%	0.345	C	S	.	.	H	α-helix	trans	-97.9	-28.1	-173.7	-73.6	39.1	0	0	0	113.5	E21 G25 E236	E21-W23 VanDerWaalsContact C-N 3.3Å; E21-W23 PolarHBondContact O-N 3.44Å; W23-G25 PolarHBondContact O-N 2.79Å; W23-G25 VanDerWaalsContact O-N 3.16Å; W23-E236 HydrophobicContact CD2-CG 4.48Å; W23-E236 HydrophobicContact CE3-CG 4.04Å; W23-E236 HydrophobicContact CH2-CB 4.23Å; W23-E236 HydrophobicContact CH2-CG 3.18Å; W23-E236 HydrophobicContact CZ2-CG 3.59Å; W23-E236 HydrophobicContact CZ3-CB 3.97Å; W23-E236 HydrophobicContact CZ3-CG 3.39Å
24	A	58.8	Low	68	Low	60 Å²	60	55.7 Å²	55.7	50%	0.496	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	108.9	-176.4	0	0	0	0	0	111.2	P129	A24-P129 WeakPolarHBondContact O-CG 3.42Å
25	G	78.2	Confident	70.8	Confident	23 Å²	23	52.7 Å²	52.7	24%	0.237	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	15.3	163.3	0	0	0	0	0	116.9	W23 G128 P129	W23-G25 PolarHBondContact O-N 2.79Å; W23-G25 VanDerWaalsContact O-N 3.16Å; G25-G128 CarbonylContact O-C 3.57Å; G25-P129 WeakPolarHBondContact O-CA 3.35Å; G25-P129 WeakPolarHBondContact O-CG 3.4Å
26	S	91.7	Very high	73.4	Confident	55 Å²	55	53.2 Å²	53.2	39%	0.385	31%	0.305	S	S	.	.			trans	-85.2	142.2	163	66.1	0	0	0	0	110.4	V127	S26-V127 CarbonylContact C-O 3.56Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.33Å
27	H	96.1	Very high	76	Confident	26 Å²	26	51.7 Å²	51.7	12%	0.12	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	157.6	179.5	-66.3	-78.3	0	0	0	111.2	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.23Å; H27-D53 IonicContact CE1-OD2 3.36Å; H27-D53 IonicContact CG-OD2 3.27Å; H27-D53 IonicContact ND1-OD1 3.36Å; H27-D53 IonicContact ND1-OD2 2.88Å; H27-D53 PolarHBondContact ND1-OD2 3.03Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.18Å; H27-V127 HydrophobicContact CB-CG2 4.03Å; H27-V127 PolarHBondContact N-O 2.78Å; H27-V127 PolarHBondContact O-N 2.75Å; H27-L192 HydrophobicContact CB-CD1 4.43Å; H27-L196 HydrophobicContact CB-CD1 3.72Å; H27-L196 HydrophobicContact CB-CD2 4.03Å; H27-L196 HydrophobicContact CB-CG 4.46Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.31Å
28	S	97.9	Very high	78.7	Confident	23 Å²	23	50.1 Å²	50.1	16%	0.161	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	147.5	177.9	65.8	0	0	0	0	111.9	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.6Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 2.93Å; S28-D53 PolarHBondContact N-OD1 3.21Å; S28-D53 PolarHBondContact O-N 3.2Å; S28-C125 WeakPolarHBondContact CA-O 3.48Å; S28-D126 WeakPolarHBondContact CB-OD1 3.39Å
29	M	98.6	Very high	81.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.8	165.5	-174.4	170.3	61.5	0	0	108.5	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.16Å; M29-Y31 HydrophobicContact CG-CE2 4.15Å; M29-Y31 HydrophobicContact SD-CE2 4.05Å; M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 WeakPolarHBondContact CA-O 3.32Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.24Å; M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.39Å; M29-C125 PolarHBondContact N-O 2.83Å; M29-C125 PolarHBondContact O-N 2.92Å; M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 WeakPolarHBondContact CE-O 3.43Å; M29-C188 VanDerWaalsContact CE-SG 3.55Å; M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.44Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.13Å; M29-L192 HydrophobicContact CB-CG 4.29Å; M29-L192 HydrophobicContact CE-CB 4.46Å; M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å
30	R	98.6	Very high	83.9	Confident	53 Å²	53	50.2 Å²	50.2	20%	0.2	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.1	-177.2	-58.8	-64.3	-177.5	75.7	4.2	111.1	F32 G50 Y51 D126 H137	R30-F32 HydrophobicContact CB-CD2 4.49Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.97Å; R30-G50 CarbonylContact O-C 3.6Å; R30-G50 WeakPolarHBondContact O-CA 3.26Å; R30-Y51 PolarHBondContact N-O 3.5Å; R30-Y51 PolarHBondContact O-N 2.85Å; R30-D126 IonicContact CZ-OD1 3.99Å; R30-D126 IonicContact NE-OD1 2.86Å; R30-D126 PolarHBondContact NE-OD1 2.8Å; R30-D126 VanDerWaalsContact NE-OD1 3.16Å; R30-D126 VanDerWaalsContact NH2-CG 3.29Å; R30-D126 IonicContact NH2-OD1 3.92Å; R30-D126 PolarHBondContact NH2-OD1 2.79Å; R30-D126 IonicContact NH2-OD2 2.64Å; R30-D126 PolarHBondContact NH2-OD2 2.96Å; R30-H137 PolarHBondContact NH2-NE2 2.85Å; R30-H137 VanDerWaalsContact NH2-NE2 3.12Å
31	Y	98.8	Very high	86.5	Confident	8 Å²	8	56.5 Å²	56.5	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.3	168.6	-68.6	-86.2	0	0	0	110.2	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.16Å; M29-Y31 HydrophobicContact CG-CE2 4.15Å; M29-Y31 HydrophobicContact SD-CE2 4.05Å; Y31-V49 WeakPolarHBondContact CA-O 3.33Å; Y31-F57 AromaticContact CE1-CZ 3.96Å; Y31-F57 HydrophobicContact CE1-CZ 3.96Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.2Å; Y31-V58 HydrophobicContact CE1-CG2 3.93Å; Y31-M122 WeakPolarHBondContact O-CA 3.43Å; Y31-Y123 HydrophobicContact CD2-CD2 4.5Å; Y31-Y123 AromaticContact CD2-CE2 3.74Å; Y31-Y123 HydrophobicContact CD2-CE2 3.74Å; Y31-Y123 AromaticContact CD2-CZ 3.83Å; Y31-Y123 HydrophobicContact CG-CE1 4.37Å; Y31-Y123 HydrophobicContact CG-CE2 4.25Å; Y31-Y123 AromaticContact CG-CZ 3.87Å; Y31-Y123 PolarHBondContact N-O 2.82Å; Y31-Y123 PolarHBondContact O-N 3.16Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å
32	F	98.9	Very high	89	Confident	84 Å²	84	51.5 Å²	51.5	37%	0.368	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132	174.9	-57.3	-93.1	0	0	0	108.5	R30 T48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.49Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.97Å; F32-T48 WeakPolarHBondContact O-CA 3.49Å; F32-T48 PolarHBondContact O-OG1 2.95Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.19Å; F32-V49 PolarHBondContact O-N 3.17Å; F32-Y51 HydrophobicContact CD2-CD2 4.07Å; F32-Y51 HydrophobicContact CE2-CD2 4.1Å; F32-R121 CarbonylContact C-O 3.59Å; F32-R121 WeakPolarHBondContact CA-O 3.38Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.76Å; F32-M122 HydrophobicContact CE1-CB 4.07Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 VanDerWaalsContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CZ-CG 4.01Å
33	H	98.8	Very high	91.4	Very high	3 Å²	3	51 Å²	51	1%	0.014	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.6	178.2	-61.7	16	0	0	0	107.8	F46 I47 T48 Y98 Q120 R121 Y123	H33-F46 HydrophobicContact CB-CE2 3.95Å; H33-F46 HydrophobicContact CB-CZ 4.18Å; H33-F46 AromaticContact CD2-CZ 3.7Å; H33-I47 WeakPolarHBondContact CA-O 3.37Å; H33-T48 PolarHBondContact CE1-OG1 2.67Å; H33-T48 PolarHBondContact ND1-OG1 3.24Å; H33-T48 VanDerWaalsContact ND1-OG1 3.09Å; H33-Y98 HydrophobicContact CB-CE1 4.12Å; H33-Y98 WeakPolarHBondContact CB-OH 3.45Å; H33-Y98 AromaticContact CD2-CZ 3.95Å; H33-Y98 PolarHBondContact CD2-OH 2.86Å; H33-Q120 CarbonylContact O-C 3.49Å; H33-Q120 WeakPolarHBondContact O-CA 3.4Å; H33-R121 HydrophobicContact CB-CB 4.17Å; H33-R121 PolarHBondContact N-O 2.83Å; H33-R121 PolarHBondContact O-N 3.41Å; H33-Y123 AromaticContact CE1-CE1 3.38Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.4Å; H33-Y123 AromaticContact CE1-CZ 3.97Å; H33-Y123 AromaticContact ND1-CE1 3.99Å; H33-Y123 AromaticContact NE2-CE1 3.52Å
34	T	98.8	Very high	93.7	Very high	37 Å²	37	49.3 Å²	49.3	23%	0.227	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	120	176.6	-55.3	0	0	0	0	108.6	M36 F46 I47 T118 Q120	T34-M36 HydrophobicContact CG2-CE 4.16Å; T34-M36 HydrophobicContact CG2-CG 4.07Å; T34-M36 HydrophobicContact CG2-SD 4.24Å; T34-F46 WeakPolarHBondContact O-CA 3.46Å; T34-I47 PolarHBondContact N-O 3.07Å; T34-I47 PolarHBondContact O-N 3.25Å; T34-T118 HydrophobicContact CG2-CG2 4.02Å; T34-Q120 HydrophobicContact CG2-CG 4.12Å
35	A	98.6	Very high	95.5	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.6	169.8	0	0	0	0	0	110	R45 F46 Y98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.42Å; A35-R45 VanDerWaalsContact CA-O 3.27Å; A35-R45 WeakPolarHBondContact CA-O 3.39Å; A35-F46 HydrophobicContact CB-CD2 4.2Å; A35-Y98 HydrophobicContact CB-CD1 3.54Å; A35-Y98 HydrophobicContact CB-CG 3.98Å; A35-L102 HydrophobicContact CB-CD1 3.85Å; A35-T118 CarbonylContact O-C 3.55Å; A35-T118 WeakPolarHBondContact O-CA 3.34Å; A35-L119 PolarHBondContact N-O 2.89Å; A35-L119 PolarHBondContact O-N 3.25Å
36	M	98.4	Very high	96.5	Very high	61 Å²	61	49.3 Å²	49.3	30%	0.3	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	116.6	-179.1	-65.5	159.6	-73.8	0	0	109.1	T34 P44 R45 I47 H117 T118	T34-M36 HydrophobicContact CG2-CE 4.16Å; T34-M36 HydrophobicContact CG2-CG 4.07Å; T34-M36 HydrophobicContact CG2-SD 4.24Å; M36-P44 CarbonylContact O-C 3.49Å; M36-P44 WeakPolarHBondContact O-CA 3.3Å; M36-P44 WeakPolarHBondContact O-CB 3.3Å; M36-R45 HydrophobicContact CE-CB 4.46Å; M36-R45 HydrophobicContact CE-CG 4.47Å; M36-R45 PolarHBondContact N-O 2.91Å; M36-R45 PolarHBondContact O-N 2.91Å; M36-I47 HydrophobicContact CE-CD1 4Å; M36-H117 WeakPolarHBondContact CA-O 3.48Å; M36-T118 HydrophobicContact CG-CG2 4.13Å
37	S	97.6	Very high	96.9	Very high	17 Å²	17	48.5 Å²	48.5	12%	0.119	26%	0.262	C	S	.	.			trans	-69.5	150.2	170.8	74.1	0	0	0	0	110.1	S116 H117	S37-S116 PolarHBondContact O-OG 3.21Å; S37-H117 PolarHBondContact N-O 2.88Å; S37-H117 PolarHBondContact OG-N 3.36Å; S37-H117 PolarHBondContact OG-O 3.36Å
38	R	95.7	Very high	97	Very high	74 Å²	74	47.3 Å²	47.3	28%	0.279	26%	0.256	S	S	.	.			trans	-143.6	72.3	-179.4	52.6	174.5	175.5	-160.2	-10.4	110.8	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.06Å; R38-R41 HydrophobicContact CB-CB 4.15Å; R38-R41 WeakPolarHBondContact CD-O 3.46Å; R38-R41 HydrophobicContact CG-CB 4.24Å; R38-R41 PolarHBondContact NE-O 2.87Å; R38-R41 PolarHBondContact O-N 2.85Å; R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 3.32Å; R38-E43 PolarHBondContact NH2-O 3.05Å; R38-D63 IonicContact CZ-OD1 3.77Å; R38-D63 IonicContact CZ-OD2 3.24Å; R38-D63 IonicContact NH1-OD1 3.54Å; R38-D63 PolarHBondContact NH1-OD1 3.08Å; R38-D63 IonicContact NH1-OD2 2.81Å; R38-D63 PolarHBondContact NH1-OD2 3.17Å; R38-D63 IonicContact NH2-OD1 2.7Å; R38-D63 PolarHBondContact NH2-OD1 2.8Å; R38-D63 IonicContact NH2-OD2 2.73Å
39	P	92.8	Very high	97	Very high	54 Å²	54	47.8 Å²	47.8	35%	0.351	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	132	-176.2	-26.6	34.7	0	0	0	112.4	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.8Å; P39-E113 WeakPolarHBondContact CB-O 3.18Å; P39-E113 WeakPolarHBondContact CG-O 3.43Å; P39-G115 WeakPolarHBondContact CG-O 3.35Å
40	G	91.6	Very high	97	Very high	89 Å²	89	47.8 Å²	47.8	92%	0.918	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	1.4	-177.6	0	0	0	0	0	115.8	R38	R38-G40 PolarHBondContact O-N 3.06Å
41	R	93.5	Very high	97	Very high	208 Å²	208	48.8 Å²	48.8	79%	0.785	26%	0.262	S	S	*	.	S	Bend	trans	-124.4	24.7	179.7	-58.8	-175.6	-178.8	178	0.7	113.3	R38 P39	R38-R41 HydrophobicContact CB-CB 4.15Å; R38-R41 WeakPolarHBondContact CD-O 3.46Å; R38-R41 HydrophobicContact CG-CB 4.24Å; R38-R41 PolarHBondContact NE-O 2.87Å; R38-R41 PolarHBondContact O-N 2.85Å; P39-R41 PolarHBondContact O-N 2.8Å
42	G	91.8	Very high	97	Very high	57 Å²	57	48.4 Å²	48.4	59%	0.588	26%	0.261	S	S	*	.	S	Bend	trans	95.8	-164	178.9	0	0	0	0	0	114
43	E	94.9	Very high	96.9	Very high	82 Å²	82	45.9 Å²	45.9	38%	0.383	25%	0.251	S	S	.	.	S	Bend	trans	-71.7	154.6	-177.2	-70.4	-67.4	169.5	0	0	112.4	R38 R45 R99 R103	R38-E43 VanDerWaalsContact CZ-O 3.27Å; R38-E43 PolarHBondContact NE-O 3.32Å; R38-E43 PolarHBondContact NH2-O 3.05Å; E43-R45 PolarHBondContact O-N 2.89Å; E43-R99 VanDerWaalsContact CG-NH2 3.28Å; E43-R99 IonicContact OE1-CZ 3.61Å; E43-R99 IonicContact OE1-NH1 3.97Å; E43-R99 WeakPolarHBondContact OE2-CD 3.4Å; E43-R99 IonicContact OE2-CZ 3.33Å; E43-R99 IonicContact OE2-NE 3.53Å; E43-R99 PolarHBondContact OE2-NE 3.2Å; E43-R99 IonicContact OE2-NH1 3.58Å; E43-R99 IonicContact OE2-NH2 3.64Å; E43-R103 IonicContact OE1-NH2 3.86Å; E43-R103 IonicContact OE2-NH2 3.68Å
44	P	96.8	Very high	96.7	Very high	20 Å²	20	48.6 Å²	48.6	13%	0.13	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-52.7	134.8	176.2	-26.3	34.9	0	0	0	112.2	M36 R99 L102	M36-P44 CarbonylContact O-C 3.49Å; M36-P44 WeakPolarHBondContact O-CA 3.3Å; M36-P44 WeakPolarHBondContact O-CB 3.3Å; P44-R99 HydrophobicContact CG-CB 4.41Å; P44-R99 HydrophobicContact CG-CG 4.23Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.95Å
45	R	98.3	Very high	96.6	Very high	82 Å²	82	47.6 Å²	47.6	31%	0.309	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.8	174.1	-176.5	-178.7	-174.8	177.5	-1.6	108.9	A35 M36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.42Å; A35-R45 VanDerWaalsContact CA-O 3.27Å; A35-R45 WeakPolarHBondContact CA-O 3.39Å; M36-R45 HydrophobicContact CE-CB 4.46Å; M36-R45 HydrophobicContact CE-CG 4.47Å; M36-R45 PolarHBondContact N-O 2.91Å; M36-R45 PolarHBondContact O-N 2.91Å; E43-R45 PolarHBondContact O-N 2.89Å; R45-I47 HydrophobicContact CG-CG1 4.3Å; R45-D61 IonicContact CZ-OD1 3.55Å; R45-D61 IonicContact CZ-OD2 3.94Å; R45-D61 IonicContact NE-OD1 2.72Å; R45-D61 PolarHBondContact NE-OD1 2.02Å; R45-D61 IonicContact NE-OD2 3.51Å; R45-D61 IonicContact NH2-OD1 3.94Å; R45-D61 PolarHBondContact NH2-OD1 2.79Å; R45-D61 IonicContact NH2-OD2 3.96Å; R45-D61 PolarHBondContact NH2-OD2 2.83Å; R45-S62 WeakPolarHBondContact CA-OG 3.14Å; R45-D63 VanDerWaalsContact CD-OD2 3.24Å; R45-D63 WeakPolarHBondContact CD-OD2 3.43Å; R45-D63 HydrophobicContact CG-CB 4.35Å; R45-D63 IonicContact NE-OD2 3.45Å
46	F	98.7	Very high	96.6	Very high	2 Å²	2	50 Å²	50	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.4	176.4	178.1	-100.1	0	0	0	110.3	H33 T34 A35 T48 F60 S62 N94 T95 Y98	H33-F46 HydrophobicContact CB-CE2 3.95Å; H33-F46 HydrophobicContact CB-CZ 4.18Å; H33-F46 AromaticContact CD2-CZ 3.7Å; T34-F46 WeakPolarHBondContact O-CA 3.46Å; A35-F46 HydrophobicContact CB-CD2 4.2Å; F46-T48 HydrophobicContact CE1-CG2 3.74Å; F46-T48 HydrophobicContact CZ-CG2 4.19Å; F46-F60 AromaticContact CD1-CD1 3.93Å; F46-F60 HydrophobicContact CD1-CD1 3.93Å; F46-F60 AromaticContact CD1-CE1 3.95Å; F46-F60 HydrophobicContact CD1-CE1 3.95Å; F46-F60 HydrophobicContact CE1-CD1 4.23Å; F46-S62 PolarHBondContact N-OG 2.9Å; F46-S62 PolarHBondContact O-N 3.34Å; F46-S62 PolarHBondContact O-OG 3.24Å; F46-N94 HydrophobicContact CE1-CB 4.02Å; F46-N94 HydrophobicContact CE2-CB 4.27Å; F46-N94 HydrophobicContact CZ-CB 3.66Å; F46-T95 HydrophobicContact CB-CG2 3.99Å; F46-T95 VanDerWaalsContact CD1-OG1 3.3Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.48Å; F46-Y98 HydrophobicContact CD2-CD1 4.31Å; F46-Y98 HydrophobicContact CD2-CD2 4.21Å; F46-Y98 AromaticContact CD2-CG 3.96Å; F46-Y98 HydrophobicContact CD2-CG 3.96Å; F46-Y98 HydrophobicContact CE2-CD1 4.14Å; F46-Y98 AromaticContact CE2-CD2 3.7Å; F46-Y98 HydrophobicContact CE2-CD2 3.7Å; F46-Y98 HydrophobicContact CE2-CE1 4.27Å; F46-Y98 AromaticContact CE2-CE2 3.84Å; F46-Y98 HydrophobicContact CE2-CE2 3.84Å; F46-Y98 AromaticContact CE2-CG 3.84Å; F46-Y98 HydrophobicContact CE2-CG 3.84Å; F46-Y98 HydrophobicContact CZ-CE2 4.5Å
47	I	98.8	Very high	96.6	Very high	38 Å²	38	47 Å²	47	20%	0.195	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.9	175.5	-57	174.7	0	0	0	107.6	H33 T34 M36 R45 F60	H33-I47 WeakPolarHBondContact CA-O 3.37Å; T34-I47 PolarHBondContact N-O 3.07Å; T34-I47 PolarHBondContact O-N 3.25Å; M36-I47 HydrophobicContact CE-CD1 4Å; R45-I47 HydrophobicContact CG-CG1 4.3Å; I47-F60 WeakPolarHBondContact CA-O 3.45Å
48	T	98.8	Very high	96.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	139	165.8	171.4	0	0	0	0	111	F32 H33 F46 R59 F60	F32-T48 WeakPolarHBondContact O-CA 3.49Å; F32-T48 PolarHBondContact O-OG1 2.95Å; H33-T48 PolarHBondContact CE1-OG1 2.67Å; H33-T48 PolarHBondContact ND1-OG1 3.24Å; H33-T48 VanDerWaalsContact ND1-OG1 3.09Å; F46-T48 HydrophobicContact CE1-CG2 3.74Å; F46-T48 HydrophobicContact CZ-CG2 4.19Å; T48-R59 CarbonylContact O-C 3.57Å; T48-R59 WeakPolarHBondContact O-CA 3.36Å; T48-F60 HydrophobicContact CG2-CB 3.64Å; T48-F60 HydrophobicContact CG2-CD1 4.4Å; T48-F60 HydrophobicContact CG2-CG 4.36Å; T48-F60 PolarHBondContact N-O 2.95Å; T48-F60 PolarHBondContact O-N 3.46Å
49	V	98.9	Very high	96.7	Very high	32 Å²	32	46.9 Å²	46.9	19%	0.194	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.8	172.4	-67.5	0	0	0	0	109.6	Y31 F32 Y51 L56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.33Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.31Å; F32-V49 PolarHBondContact N-O 3.19Å; F32-V49 PolarHBondContact O-N 3.17Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.32Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-L56 HydrophobicContact CB-CD1 3.68Å; V49-L56 HydrophobicContact CG1-CD1 3.98Å; V49-V58 WeakPolarHBondContact CA-O 3.32Å; V49-R59 HydrophobicContact CG1-CB 4.33Å; V49-R59 HydrophobicContact CG1-CG 4.17Å
50	G	98.7	Very high	97	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.6	175.1	0	0	0	0	0	110.3	R30 F57 V58	R30-G50 CarbonylContact O-C 3.6Å; R30-G50 WeakPolarHBondContact O-CA 3.26Å; G50-F57 WeakPolarHBondContact O-CD1 3.45Å; G50-F57 PolarHBondContact O-N 2.88Å; G50-V58 PolarHBondContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 3.12Å
51	Y	98.6	Very high	97.4	Very high	75 Å²	75	40.9 Å²	40.9	29%	0.294	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	141.7	178.5	-78	-101.6	0	0	0	110.3	M29 R30 F32 V49 T55 L56	M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 WeakPolarHBondContact CA-O 3.32Å; R30-Y51 PolarHBondContact N-O 3.5Å; R30-Y51 PolarHBondContact O-N 2.85Å; F32-Y51 HydrophobicContact CD2-CD2 4.07Å; F32-Y51 HydrophobicContact CE2-CD2 4.1Å; V49-Y51 HydrophobicContact CB-CE2 4.09Å; V49-Y51 HydrophobicContact CG2-CD2 4.32Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 WeakPolarHBondContact CA-O 3.38Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; Y51-L56 HydrophobicContact CD1-CB 4.19Å; Y51-L56 VanDerWaalsContact CD1-N 3.34Å; Y51-L56 HydrophobicContact CD2-CD1 4.07Å; Y51-L56 HydrophobicContact CE1-CB 3.65Å; Y51-L56 HydrophobicContact CE1-CD1 4.46Å; Y51-L56 HydrophobicContact CE2-CB 4.29Å; Y51-L56 HydrophobicContact CE2-CD1 3.52Å; Y51-L56 HydrophobicContact CE2-CG 4.48Å
52	V	98.3	Very high	97.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.5	156.4	176.7	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.6Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 2.93Å; M29-V52 HydrophobicContact CG-CG2 4.37Å; V52-D54 PolarHBondContact O-N 2.97Å; V52-T55 PolarHBondContact N-O 3.47Å; V52-T55 WeakPolarHBondContact O-CA 3.03Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 2.83Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; V52-W75 HydrophobicContact CB-CH2 4.4Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.37Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V52-Y195 HydrophobicContact CG2-CD2 3.99Å; V52-L196 HydrophobicContact CG1-CD2 4.04Å; V52-L203 HydrophobicContact CB-CD1 4.32Å; V52-L203 HydrophobicContact CB-CD2 4.23Å; V52-L203 HydrophobicContact CG1-CD1 3.92Å; V52-L203 HydrophobicContact CG1-CD2 4.12Å
53	D	96.2	Very high	97.9	Very high	30 Å²	30	32.7 Å²	32.7	16%	0.16	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	-125.9	-165.8	-51.8	-39.7	0	0	0	110.4	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.23Å; H27-D53 IonicContact CE1-OD2 3.36Å; H27-D53 IonicContact CG-OD2 3.27Å; H27-D53 IonicContact ND1-OD1 3.36Å; H27-D53 IonicContact ND1-OD2 2.88Å; H27-D53 PolarHBondContact ND1-OD2 3.03Å; S28-D53 PolarHBondContact N-OD1 3.21Å; S28-D53 PolarHBondContact O-N 3.2Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 3.27Å
54	D	95.9	Very high	98	Very high	61 Å²	61	30.4 Å²	30.4	33%	0.326	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	10.5	177.4	-61	-55.8	0	0	0	114	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.97Å; D54-Y233 HydrophobicContact CB-CE2 3.87Å; D54-P234 WeakPolarHBondContact OD2-CB 3.06Å; D54-A235 HydrophobicContact CB-CB 4.38Å; D54-A235 WeakPolarHBondContact OD2-CB 3.48Å; D54-A235 PolarHBondContact OD2-N 3.23Å; D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.75Å
55	T	96.4	Very high	97.9	Very high	16 Å²	16	36.9 Å²	36.9	10%	0.098	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	112.1	-176.8	-58.7	0	0	0	0	111.9	Y51 V52 D53 F57 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.38Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; V52-T55 PolarHBondContact N-O 3.47Å; V52-T55 WeakPolarHBondContact O-CA 3.03Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 2.83Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 3.27Å; T55-F57 PolarHBondContact O-N 3.42Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.31Å; T55-Y233 PolarHBondContact OG1-OH 3.39Å
56	L	97.4	Very high	97.8	Very high	50 Å²	50	36.4 Å²	36.4	26%	0.262	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	125	171.9	178	70.2	0	0	0	110.1	V49 Y51 R72	V49-L56 HydrophobicContact CB-CD1 3.68Å; V49-L56 HydrophobicContact CG1-CD1 3.98Å; Y51-L56 HydrophobicContact CD1-CB 4.19Å; Y51-L56 VanDerWaalsContact CD1-N 3.34Å; Y51-L56 HydrophobicContact CD2-CD1 4.07Å; Y51-L56 HydrophobicContact CE1-CB 3.65Å; Y51-L56 HydrophobicContact CE1-CD1 4.46Å; Y51-L56 HydrophobicContact CE2-CB 4.29Å; Y51-L56 HydrophobicContact CE2-CD1 3.52Å; Y51-L56 HydrophobicContact CE2-CG 4.48Å; L56-R72 HydrophobicContact CD2-CB 3.91Å; L56-R72 HydrophobicContact CD2-CG 3.92Å; L56-R72 HydrophobicContact CG-CB 3.76Å; L56-R72 HydrophobicContact CG-CG 4.08Å; L56-R72 CarbonylContact O-C 3.48Å
57	F	98.1	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-24.2	-179.4	77.7	-84.5	0	0	0	114.6	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.24Å; Y31-F57 AromaticContact CE1-CZ 3.96Å; Y31-F57 HydrophobicContact CE1-CZ 3.96Å; Y31-F57 AromaticContact CZ-CZ 3.78Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.2Å; G50-F57 WeakPolarHBondContact O-CD1 3.45Å; G50-F57 PolarHBondContact O-N 2.88Å; V52-F57 HydrophobicContact CG2-CD1 4.02Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; T55-F57 PolarHBondContact O-N 3.42Å; F57-R72 PolarHBondContact O-N 3.46Å; F57-A73 HydrophobicContact CB-CB 4.1Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 4.03Å; F57-W75 HydrophobicContact CD1-CH2 4.04Å; F57-W75 AromaticContact CD2-CH2 3.7Å; F57-W75 HydrophobicContact CD2-CH2 3.7Å; F57-W75 HydrophobicContact CD2-CZ3 4Å; F57-W75 AromaticContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CH2 3.4Å; F57-W75 VanDerWaalsContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CZ2 4.04Å; F57-W75 HydrophobicContact CG-CZ3 4.17Å; F57-I76 HydrophobicContact CD2-CB 4.36Å; F57-I76 HydrophobicContact CD2-CD1 3.96Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.21Å; F57-I76 WeakPolarHBondContact O-CG2 3.46Å; F57-Y195 HydrophobicContact CE2-CD2 4.2Å; F57-Y195 AromaticContact CE2-CE2 3.64Å; F57-Y195 HydrophobicContact CE2-CE2 3.64Å; F57-Y195 HydrophobicContact CZ-CD2 4.24Å; F57-Y195 AromaticContact CZ-CE2 3.77Å; F57-Y195 HydrophobicContact CZ-CE2 3.77Å
58	V	98.6	Very high	97.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	150.3	177.3	-74.2	0	0	0	0	112.8	Y31 V49 G50 K69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.93Å; V49-V58 WeakPolarHBondContact CA-O 3.32Å; G50-V58 PolarHBondContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 3.12Å; V58-K69 HydrophobicContact CB-CD 4.23Å; V58-K69 HydrophobicContact CB-CG 4.28Å; V58-K69 HydrophobicContact CG1-CG 4.34Å; V58-E70 VanDerWaalsContact CA-O 3.32Å; V58-E70 WeakPolarHBondContact CA-O 3.42Å; V58-I76 HydrophobicContact CG1-CG1 4.31Å; V58-W84 HydrophobicContact CG1-CH2 4.07Å; V58-W84 HydrophobicContact CG1-CZ3 3.93Å
59	R	98.6	Very high	97.7	Very high	88 Å²	88	43.3 Å²	43.3	33%	0.332	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.4	173.4	178.1	175.7	170.9	173.2	-2.9	111.2	T48 V49 D61 K69 E70 R72	T48-R59 CarbonylContact O-C 3.57Å; T48-R59 WeakPolarHBondContact O-CA 3.36Å; V49-R59 HydrophobicContact CG1-CB 4.33Å; V49-R59 HydrophobicContact CG1-CG 4.17Å; R59-D61 IonicContact CZ-OD2 3.86Å; R59-D61 IonicContact NH2-OD2 3.6Å; R59-D61 PolarHBondContact NH2-OD2 2.92Å; R59-K69 WeakPolarHBondContact O-CA 3.39Å; R59-E70 PolarHBondContact N-O 2.96Å; R59-E70 PolarHBondContact O-N 2.93Å; R59-R72 HydrophobicContact CB-CG 3.96Å
60	F	98.8	Very high	97.7	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143.3	163.2	173.1	-80.8	0	0	0	108.8	F46 I47 T48 P67 R68 K69 S91 K92	F46-F60 AromaticContact CD1-CD1 3.93Å; F46-F60 HydrophobicContact CD1-CD1 3.93Å; F46-F60 AromaticContact CD1-CE1 3.95Å; F46-F60 HydrophobicContact CD1-CE1 3.95Å; F46-F60 HydrophobicContact CE1-CD1 4.23Å; I47-F60 WeakPolarHBondContact CA-O 3.45Å; T48-F60 HydrophobicContact CG2-CB 3.64Å; T48-F60 HydrophobicContact CG2-CD1 4.4Å; T48-F60 HydrophobicContact CG2-CG 4.36Å; T48-F60 PolarHBondContact N-O 2.95Å; T48-F60 PolarHBondContact O-N 3.46Å; F60-P67 HydrophobicContact CE1-CB 4.49Å; F60-P67 HydrophobicContact CE2-CB 3.74Å; F60-P67 HydrophobicContact CZ-CB 3.62Å; F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.28Å; F60-K69 HydrophobicContact CB-CD 4.08Å; F60-S91 VanDerWaalsContact CD2-CB 3.41Å; F60-S91 VanDerWaalsContact CG-CB 3.5Å; F60-K92 HydrophobicContact CE2-CG 4.23Å; F60-K92 HydrophobicContact CZ-CG 4.15Å
61	D	98.7	Very high	97.7	Very high	15 Å²	15	47.3 Å²	47.3	8%	0.08	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	119.6	178	-162.6	-28.2	0	0	0	109.3	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.55Å; R45-D61 IonicContact CZ-OD2 3.94Å; R45-D61 IonicContact NE-OD1 2.72Å; R45-D61 PolarHBondContact NE-OD1 2.02Å; R45-D61 IonicContact NE-OD2 3.51Å; R45-D61 IonicContact NH2-OD1 3.94Å; R45-D61 PolarHBondContact NH2-OD1 2.79Å; R45-D61 IonicContact NH2-OD2 3.96Å; R45-D61 PolarHBondContact NH2-OD2 2.83Å; R59-D61 IonicContact CZ-OD2 3.86Å; R59-D61 IonicContact NH2-OD2 3.6Å; R59-D61 PolarHBondContact NH2-OD2 2.92Å; D61-D63 PolarHBondContact O-N 3Å; D61-D63 PolarHBondContact OD1-N 2.92Å; D61-A64 WeakPolarHBondContact O-CB 3.2Å; D61-A64 PolarHBondContact O-N 2.79Å
62	S	98.3	Very high	97.6	Very high	26 Å²	26	49.2 Å²	49.2	18%	0.182	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.6	-177.8	68.8	0	0	0	0	113.4	R45 F46 P67	R45-S62 WeakPolarHBondContact CA-OG 3.14Å; F46-S62 PolarHBondContact N-OG 2.9Å; F46-S62 PolarHBondContact O-N 3.34Å; F46-S62 PolarHBondContact O-OG 3.24Å; S62-P67 WeakPolarHBondContact O-CG 3.34Å
63	D	97.4	Very high	97.5	Very high	67 Å²	67	49.5 Å²	49.5	36%	0.358	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.4	179.9	-79.7	6.6	0	0	0	113	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.77Å; R38-D63 IonicContact CZ-OD2 3.24Å; R38-D63 IonicContact NH1-OD1 3.54Å; R38-D63 PolarHBondContact NH1-OD1 3.08Å; R38-D63 IonicContact NH1-OD2 2.81Å; R38-D63 PolarHBondContact NH1-OD2 3.17Å; R38-D63 IonicContact NH2-OD1 2.7Å; R38-D63 PolarHBondContact NH2-OD1 2.8Å; R38-D63 IonicContact NH2-OD2 2.73Å; R45-D63 VanDerWaalsContact CD-OD2 3.24Å; R45-D63 WeakPolarHBondContact CD-OD2 3.43Å; R45-D63 HydrophobicContact CG-CB 4.35Å; R45-D63 IonicContact NE-OD2 3.45Å; D61-D63 PolarHBondContact O-N 3Å; D61-D63 PolarHBondContact OD1-N 2.92Å
64	A	97	Very high	97.5	Very high	34 Å²	34	53.1 Å²	53.1	28%	0.281	29%	0.285	S	S	.	.	S	Bend	trans	-63.2	149.5	173.8	0	0	0	0	0	111	D61 S66 P67	D61-A64 WeakPolarHBondContact O-CB 3.2Å; D61-A64 PolarHBondContact O-N 2.79Å; A64-S66 PolarHBondContact O-N 3.3Å; A64-S66 VanDerWaalsContact O-N 3.17Å; A64-P67 WeakPolarHBondContact O-CD 3.49Å; A64-P67 VanDerWaalsContact O-CG 3.25Å; A64-P67 WeakPolarHBondContact O-CG 3.43Å
65	T	96	Very high	97.5	Very high	156 Å²	156	51.1 Å²	51.1	96%	0.957	27%	0.273	S	S	*	.	S	Bend	trans	-56.9	-34	178.3	-50.8	0	0	0	0	112.6
66	S	96.3	Very high	97.6	Very high	72 Å²	72	50.3 Å²	50.3	50%	0.503	27%	0.268	S	S	.	.	S	Bend	trans	-134.2	86	173.9	-174.7	0	0	0	0	108.6	A64 R68	A64-S66 PolarHBondContact O-N 3.3Å; A64-S66 VanDerWaalsContact O-N 3.17Å; S66-R68 PolarHBondContact O-N 2.94Å; S66-R68 VanDerWaalsContact O-N 3.08Å
67	P	97.3	Very high	97.5	Very high	34 Å²	34	53.8 Å²	53.8	22%	0.221	28%	0.283	C	S	.	.			trans	-62.4	113.4	-174.5	-24.4	35.4	0	0	0	111.8	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.49Å; F60-P67 HydrophobicContact CE2-CB 3.74Å; F60-P67 HydrophobicContact CZ-CB 3.62Å; S62-P67 WeakPolarHBondContact O-CG 3.34Å; A64-P67 WeakPolarHBondContact O-CD 3.49Å; A64-P67 VanDerWaalsContact O-CG 3.25Å; A64-P67 WeakPolarHBondContact O-CG 3.43Å; P67-K92 VanDerWaalsContact O-CE 3.28Å; P67-K92 WeakPolarHBondContact O-CE 3.34Å
68	R	98.2	Very high	97.4	Very high	142 Å²	142	59.6 Å²	59.6	54%	0.536	31%	0.31	S	S	.	.			trans	-140	158.1	177.4	-65.2	-171.5	179.1	-155.3	-3.1	110.1	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.48Å; F60-R68 WeakPolarHBondContact CD2-O 3.28Å; S66-R68 PolarHBondContact O-N 2.94Å; S66-R68 VanDerWaalsContact O-N 3.08Å; R68-E70 PolarHBondContact O-N 2.96Å; R68-T88 HydrophobicContact CB-CG2 4.34Å; R68-T88 HydrophobicContact CG-CG2 4.23Å
69	K	98.5	Very high	97.3	Very high	10 Å²	10	60.1 Å²	60.1	4%	0.043	31%	0.312	C	S	.	.			trans	-72.8	124.3	168.2	-164.1	75.6	154	-176.7	0	107.2	V58 R59 F60 W84 E87 T88	V58-K69 HydrophobicContact CB-CD 4.23Å; V58-K69 HydrophobicContact CB-CG 4.28Å; V58-K69 HydrophobicContact CG1-CG 4.34Å; R59-K69 WeakPolarHBondContact O-CA 3.39Å; F60-K69 HydrophobicContact CB-CD 4.08Å; K69-W84 HydrophobicContact CB-CE3 4.22Å; K69-W84 HydrophobicContact CB-CZ3 4.49Å; K69-W84 HydrophobicContact CG-CE3 4.32Å; K69-W84 HydrophobicContact CG-CZ3 4.15Å; K69-E87 HydrophobicContact CB-CB 3.99Å; K69-E87 HydrophobicContact CD-CB 4.42Å; K69-E87 HydrophobicContact CG-CB 3.82Å; K69-T88 PolarHBondContact N-OG1 3.39Å
70	E	98.4	Very high	97.2	Very high	69 Å²	69	57.6 Å²	57.6	32%	0.322	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.7	-173.8	-65.4	173.3	160.1	0	0	110.4	V58 R59 R68 R72	V58-E70 VanDerWaalsContact CA-O 3.32Å; V58-E70 WeakPolarHBondContact CA-O 3.42Å; R59-E70 PolarHBondContact N-O 2.96Å; R59-E70 PolarHBondContact O-N 2.93Å; R68-E70 PolarHBondContact O-N 2.96Å; E70-R72 IonicContact OE2-CZ 3.56Å; E70-R72 IonicContact OE2-NH2 2.96Å; E70-R72 PolarHBondContact OE2-NH2 2.77Å
71	P	98.3	Very high	97.2	Very high	46 Å²	46	62.1 Å²	62.1	30%	0.299	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	146	172.7	29.6	-34.9	0	0	0	111	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.65Å; P71-E77 HydrophobicContact CB-CG 3.75Å; P71-E77 HydrophobicContact CG-CG 4.05Å; P71-W84 HydrophobicContact CB-CH2 3.61Å; P71-W84 HydrophobicContact CB-CZ2 3.96Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.4Å
72	R	97.6	Very high	97.2	Very high	116 Å²	116	69.4 Å²	69.4	44%	0.438	38%	0.377	S	S	.	.			trans	-131.5	-0.3	174.8	-61.3	-64.3	171.8	-169.7	1.2	113.3	L56 F57 R59 E70	L56-R72 HydrophobicContact CD2-CB 3.91Å; L56-R72 HydrophobicContact CD2-CG 3.92Å; L56-R72 HydrophobicContact CG-CB 3.76Å; L56-R72 HydrophobicContact CG-CG 4.08Å; L56-R72 CarbonylContact O-C 3.48Å; F57-R72 PolarHBondContact O-N 3.46Å; R59-R72 HydrophobicContact CB-CG 3.96Å; E70-R72 IonicContact OE2-CZ 3.56Å; E70-R72 IonicContact OE2-NH2 2.96Å; E70-R72 PolarHBondContact OE2-NH2 2.77Å
73	A	95.9	Very high	97.1	Very high	6 Å²	6	68.7 Å²	68.7	5%	0.05	37%	0.37	C	S	.	.	S	Bend	trans	-136	144.5	172	0	0	0	0	0	110.3	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.1Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.05Å; A73-W75 PolarHBondContact O-N 3.07Å; A73-I76 VanDerWaalsContact O-CG2 3.25Å; A73-I76 WeakPolarHBondContact O-CG2 3.41Å; A73-I76 PolarHBondContact O-N 3.42Å
74	P	96.1	Very high	97.2	Very high	105 Å²	105	67.3 Å²	67.3	68%	0.682	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-59.2	-36	-177.6	-27.2	35.5	0	0	0	114.1	I76 E77	P74-I76 PolarHBondContact O-N 3.33Å; P74-E77 WeakPolarHBondContact O-CB 3.47Å; P74-E77 PolarHBondContact O-N 2.91Å; P74-E77 VanDerWaalsContact O-N 3.13Å
75	W	95.8	Very high	97.3	Very high	19 Å²	19	70.5 Å²	70.5	7%	0.072	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-70.6	-14.9	-175.7	53.9	-106.2	0	0	0	114.4	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CB-CH2 4.4Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.37Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 4.03Å; F57-W75 HydrophobicContact CD1-CH2 4.04Å; F57-W75 AromaticContact CD2-CH2 3.7Å; F57-W75 HydrophobicContact CD2-CH2 3.7Å; F57-W75 HydrophobicContact CD2-CZ3 4Å; F57-W75 AromaticContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CH2 3.4Å; F57-W75 VanDerWaalsContact CG-CH2 3.4Å; F57-W75 HydrophobicContact CG-CZ2 4.04Å; F57-W75 HydrophobicContact CG-CZ3 4.17Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.19Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.05Å; A73-W75 PolarHBondContact O-N 3.07Å; W75-Q78 WeakPolarHBondContact O-CG 3.5Å; W75-Q78 PolarHBondContact O-NE2 3.19Å; W75-Y195 HydrophobicContact CE3-CD1 4.45Å; W75-Y195 HydrophobicContact CH2-CD2 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.16Å; W75-Y195 AromaticContact CZ3-CD1 3.77Å; W75-Y195 HydrophobicContact CZ3-CD1 3.77Å; W75-Y195 HydrophobicContact CZ3-CD2 4.26Å; W75-Y195 AromaticContact CZ3-CG 3.61Å; W75-Y195 HydrophobicContact CZ3-CG 3.61Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.39Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.22Å; W75-L203 HydrophobicContact CZ2-CG 4.48Å
76	I	97.6	Very high	97.4	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-88.9	-18.6	173.2	-161.1	72.8	0	0	0	111.7	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.36Å; F57-I76 HydrophobicContact CD2-CD1 3.96Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.21Å; F57-I76 WeakPolarHBondContact O-CG2 3.46Å; V58-I76 HydrophobicContact CG1-CG1 4.31Å; P71-I76 HydrophobicContact CB-CG2 3.65Å; A73-I76 VanDerWaalsContact O-CG2 3.25Å; A73-I76 WeakPolarHBondContact O-CG2 3.41Å; A73-I76 PolarHBondContact O-N 3.42Å; P74-I76 PolarHBondContact O-N 3.33Å; I76-Q78 PolarHBondContact O-N 3.43Å; I76-Q78 VanDerWaalsContact O-N 3.16Å; I76-E79 HydrophobicContact CD1-CG 3.67Å; I76-E79 HydrophobicContact CG1-CG 4.12Å; I76-E79 WeakPolarHBondContact O-CB 3.23Å; I76-E79 WeakPolarHBondContact O-CG 3.1Å; I76-E79 PolarHBondContact O-N 2.83Å; I76-Y83 HydrophobicContact CD1-CE1 4.26Å; I76-Y83 HydrophobicContact CG1-CE1 4.16Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.86Å; I76-W84 HydrophobicContact CG1-CZ2 4.1Å; I76-W84 HydrophobicContact CG2-CH2 3.87Å; I76-W84 HydrophobicContact CG2-CZ2 4.25Å; I76-W84 WeakPolarHBondContact O-CZ2 3.36Å; I76-Y195 HydrophobicContact CD1-CD1 3.75Å; I76-Y195 HydrophobicContact CD1-CE1 3.24Å
77	E	96.4	Very high	97.5	Very high	123 Å²	123	65.7 Å²	65.7	58%	0.575	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-23.2	-176.3	-65.3	179.9	-174.3	0	0	113.2	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.75Å; P71-E77 HydrophobicContact CG-CG 4.05Å; P74-E77 WeakPolarHBondContact O-CB 3.47Å; P74-E77 PolarHBondContact O-N 2.91Å; P74-E77 VanDerWaalsContact O-N 3.13Å; E77-E79 PolarHBondContact O-N 3.27Å
78	Q	95.4	Very high	97.5	Very high	122 Å²	122	64.6 Å²	64.6	57%	0.57	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-11.6	175.9	68	-176.5	0.8	0	0	114.1	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.5Å; W75-Q78 PolarHBondContact O-NE2 3.19Å; I76-Q78 PolarHBondContact O-N 3.43Å; I76-Q78 VanDerWaalsContact O-N 3.16Å; Q78-N198 PolarHBondContact NE2-ND2 3.23Å; Q78-N198 PolarHBondContact NE2-OD1 3.44Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.11Å
79	E	97.4	Very high	97.5	Very high	11 Å²	11	63.2 Å²	63.2	5%	0.051	32%	0.319	C	S	.	.	S	Bend	trans	-64.4	137.7	174.8	-66.6	-61	162.4	0	0	110.9	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.67Å; I76-E79 HydrophobicContact CG1-CG 4.12Å; I76-E79 WeakPolarHBondContact O-CB 3.23Å; I76-E79 WeakPolarHBondContact O-CG 3.1Å; I76-E79 PolarHBondContact O-N 2.83Å; E77-E79 PolarHBondContact O-N 3.27Å; E79-Y83 HydrophobicContact CB-CD1 3.56Å; E79-Y83 HydrophobicContact CB-CE1 4.18Å; E79-Y83 HydrophobicContact CB-CG 3.84Å; E79-Y83 HydrophobicContact CG-CD1 4.04Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.22Å; E79-W84 PolarHBondContact O-NE1 2.75Å; E79-R194 IonicContact OE1-CZ 3.94Å; E79-R194 IonicContact OE1-NE 3.16Å; E79-R194 PolarHBondContact OE1-NE 2.93Å; E79-R194 IonicContact OE1-NH2 3.35Å; E79-R194 PolarHBondContact OE1-NH2 2.91Å; E79-R194 IonicContact OE2-CZ 3.06Å; E79-R194 IonicContact OE2-NE 2.82Å; E79-R194 IonicContact OE2-NH2 2.72Å; E79-R194 PolarHBondContact OE2-NH2 2.84Å; E79-N198 PolarHBondContact OE1-ND2 3.02Å
80	G	96.9	Very high	97.5	Very high	35 Å²	35	65.9 Å²	65.9	36%	0.361	33%	0.333	S	S	.	.			trans	-68.9	167.3	-175.2	0	0	0	0	0	113.9	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.93Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 2.85Å; G80-Y83 VanDerWaalsContact O-N 3.08Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; G80-W84 PolarHBondContact O-N 2.97Å
81	P	97.6	Very high	97.5	Very high	97 Å²	97	62.7 Å²	62.7	63%	0.63	32%	0.318	S	S	*	.	H	α-helix	trans	-57.4	-33.5	-179.2	23.2	-33.7	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.3Å; P81-Y83 PolarHBondContact O-N 3.27Å; P81-W84 PolarHBondContact O-N 2.85Å; P81-D85 WeakPolarHBondContact O-CB 3.37Å; P81-D85 PolarHBondContact O-N 2.97Å
82	E	97.9	Very high	97.5	Very high	167 Å²	167	64.9 Å²	64.9	78%	0.78	32%	0.323	S	S	*	.	H	α-helix	trans	-59.6	-38.6	177.8	-64	174.7	180	0	0	112.6	G80 R86	G80-E82 PolarHBondContact O-N 2.93Å; E82-R86 WeakPolarHBondContact O-CB 3.36Å; E82-R86 PolarHBondContact O-N 2.74Å
83	Y	98.1	Very high	97.5	Very high	11 Å²	11	62.8 Å²	62.8	4%	0.043	32%	0.323	C	S	.	.	H	α-helix	trans	-63.4	-51.7	174.5	170.9	-94.9	0	0	0	110.1	I76 E79 G80 P81 D85 R86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.26Å; I76-Y83 HydrophobicContact CG1-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CD1 3.56Å; E79-Y83 HydrophobicContact CB-CE1 4.18Å; E79-Y83 HydrophobicContact CB-CG 3.84Å; E79-Y83 HydrophobicContact CG-CD1 4.04Å; E79-Y83 HydrophobicContact CG-CE1 4.26Å; E79-Y83 HydrophobicContact CG-CG 4.22Å; G80-Y83 WeakPolarHBondContact O-CB 3.32Å; G80-Y83 PolarHBondContact O-N 2.85Å; G80-Y83 VanDerWaalsContact O-N 3.08Å; P81-Y83 VanDerWaalsContact C-N 3.3Å; P81-Y83 PolarHBondContact O-N 3.27Å; Y83-D85 PolarHBondContact O-N 3.26Å; Y83-R86 PolarHBondContact O-N 2.81Å; Y83-E87 HydrophobicContact CD1-CG 4.3Å; Y83-E87 HydrophobicContact CD2-CG 3.98Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.62Å; Y83-E87 HydrophobicContact CG-CG 4.3Å; Y83-E87 WeakPolarHBondContact O-CB 3.23Å; Y83-E87 VanDerWaalsContact O-CG 3.3Å; Y83-E87 WeakPolarHBondContact O-CG 3.38Å; Y83-E87 PolarHBondContact O-N 2.81Å; Y83-W191 AromaticContact CD2-CH2 3.71Å; Y83-W191 HydrophobicContact CD2-CH2 3.71Å; Y83-W191 HydrophobicContact CD2-CZ2 4.27Å; Y83-W191 HydrophobicContact CD2-CZ3 4.07Å; Y83-W191 HydrophobicContact CE2-CH2 4.08Å; Y83-W191 HydrophobicContact CE2-CZ3 4.07Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.26Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.24Å; Y83-Y195 PolarHBondContact OH-OH 3.49Å
84	W	98.5	Very high	97.6	Very high	39 Å²	39	63.8 Å²	63.8	15%	0.148	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-40	-177.5	-64.9	112.2	0	0	0	113.2	V58 K69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.07Å; V58-W84 HydrophobicContact CG1-CZ3 3.93Å; K69-W84 HydrophobicContact CB-CE3 4.22Å; K69-W84 HydrophobicContact CB-CZ3 4.49Å; K69-W84 HydrophobicContact CG-CE3 4.32Å; K69-W84 HydrophobicContact CG-CZ3 4.15Å; P71-W84 HydrophobicContact CB-CH2 3.61Å; P71-W84 HydrophobicContact CB-CZ2 3.96Å; P71-W84 HydrophobicContact CB-CZ3 4.48Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.4Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.86Å; I76-W84 HydrophobicContact CG1-CZ2 4.1Å; I76-W84 HydrophobicContact CG2-CH2 3.87Å; I76-W84 HydrophobicContact CG2-CZ2 4.25Å; I76-W84 WeakPolarHBondContact O-CZ2 3.36Å; E79-W84 PolarHBondContact O-NE1 2.75Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; G80-W84 PolarHBondContact O-N 2.97Å; P81-W84 PolarHBondContact O-N 2.85Å; W84-T88 WeakPolarHBondContact O-CB 3.43Å; W84-T88 PolarHBondContact O-N 2.64Å; W84-T88 PolarHBondContact O-OG1 2.8Å
85	D	98.4	Very high	97.7	Very high	101 Å²	101	59.6 Å²	59.6	54%	0.54	30%	0.3	S	S	.	.	H	α-helix	trans	-66.9	-44.4	176.8	-75.3	-21.3	0	0	0	111.1	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.37Å; P81-D85 PolarHBondContact O-N 2.97Å; Y83-D85 PolarHBondContact O-N 3.26Å; D85-T88 PolarHBondContact O-N 3.05Å; D85-Q89 WeakPolarHBondContact O-CB 3.35Å; D85-Q89 PolarHBondContact O-N 3.18Å
86	R	98.1	Very high	97.8	Very high	107 Å²	107	62.7 Å²	62.7	40%	0.404	32%	0.315	S	S	.	.	H	α-helix	trans	-62.1	-51.3	176.6	-171.4	-175.7	73.2	-177	2.9	111.8	E82 Y83 T88 Q89 I90 W191	E82-R86 WeakPolarHBondContact O-CB 3.36Å; E82-R86 PolarHBondContact O-N 2.74Å; Y83-R86 PolarHBondContact O-N 2.81Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 2.72Å; R86-Q89 PolarHBondContact O-N 3.41Å; R86-Q89 VanDerWaalsContact O-N 3.13Å; R86-I90 HydrophobicContact CG-CD1 4.07Å; R86-I90 WeakPolarHBondContact O-CG1 3.14Å; R86-I90 PolarHBondContact O-N 2.94Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.25Å
87	E	98.4	Very high	97.8	Very high	20 Å²	20	65.7 Å²	65.7	9%	0.093	33%	0.334	C	S	.	.	H	α-helix	trans	-65.7	-33.4	-179.2	-65.3	-49.2	126.6	0	0	112.4	K69 Y83 S91	K69-E87 HydrophobicContact CB-CB 3.99Å; K69-E87 HydrophobicContact CD-CB 4.42Å; K69-E87 HydrophobicContact CG-CB 3.82Å; Y83-E87 HydrophobicContact CD1-CG 4.3Å; Y83-E87 HydrophobicContact CD2-CG 3.98Å; Y83-E87 HydrophobicContact CE1-CG 3.99Å; Y83-E87 HydrophobicContact CE2-CG 3.62Å; Y83-E87 HydrophobicContact CG-CG 4.3Å; Y83-E87 WeakPolarHBondContact O-CB 3.23Å; Y83-E87 VanDerWaalsContact O-CG 3.3Å; Y83-E87 WeakPolarHBondContact O-CG 3.38Å; Y83-E87 PolarHBondContact O-N 2.81Å; E87-S91 WeakPolarHBondContact O-CB 3.49Å; E87-S91 PolarHBondContact O-N 2.72Å; E87-S91 PolarHBondContact O-OG 3.43Å
88	T	98.6	Very high	97.9	Very high	11 Å²	11	60.1 Å²	60.1	7%	0.067	31%	0.308	C	S	.	.	H	α-helix	trans	-64.3	-46.3	171.6	-67.2	0	0	0	0	110.9	R68 K69 W84 D85 R86 S91 K92	R68-T88 HydrophobicContact CB-CG2 4.34Å; R68-T88 HydrophobicContact CG-CG2 4.23Å; K69-T88 PolarHBondContact N-OG1 3.39Å; W84-T88 WeakPolarHBondContact O-CB 3.43Å; W84-T88 PolarHBondContact O-N 2.64Å; W84-T88 PolarHBondContact O-OG1 2.8Å; D85-T88 PolarHBondContact O-N 3.05Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 2.72Å; T88-S91 PolarHBondContact O-N 2.9Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 WeakPolarHBondContact O-CG 3.23Å; T88-K92 PolarHBondContact O-N 3.47Å
89	Q	98.4	Very high	98	Very high	112 Å²	112	56.6 Å²	56.6	52%	0.523	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-42.2	-179.9	-172.2	58.9	23.2	0	0	111.5	D85 R86 S91 K92 T93	D85-Q89 WeakPolarHBondContact O-CB 3.35Å; D85-Q89 PolarHBondContact O-N 3.18Å; R86-Q89 PolarHBondContact O-N 3.41Å; R86-Q89 VanDerWaalsContact O-N 3.13Å; Q89-S91 VanDerWaalsContact C-N 3.31Å; Q89-S91 PolarHBondContact O-N 3.03Å; Q89-K92 PolarHBondContact O-N 2.89Å; Q89-T93 PolarHBondContact O-N 3.27Å; Q89-T93 PolarHBondContact O-OG1 2.83Å
90	I	98	Very high	98	Very high	67 Å²	67	61.6 Å²	61.6	34%	0.344	31%	0.313	S	S	.	.	H	α-helix	trans	-56.6	-46.5	172.5	-69.1	166.6	0	0	0	110.4	R86 K92 T93 N94	R86-I90 HydrophobicContact CG-CD1 4.07Å; R86-I90 WeakPolarHBondContact O-CG1 3.14Å; R86-I90 PolarHBondContact O-N 2.94Å; I90-K92 VanDerWaalsContact C-N 3.34Å; I90-K92 PolarHBondContact O-N 3.06Å; I90-T93 PolarHBondContact O-N 3.16Å; I90-N94 WeakPolarHBondContact O-CB 3.49Å; I90-N94 PolarHBondContact O-N 2.87Å; I90-N94 PolarHBondContact O-ND2 2.97Å
91	S	98.4	Very high	98.1	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.014	31%	0.308	C	S	.	.	H	α-helix	trans	-64.8	-36.2	179.9	-57.8	0	0	0	0	112.7	F60 E87 T88 Q89 N94 T95	F60-S91 VanDerWaalsContact CD2-CB 3.41Å; F60-S91 VanDerWaalsContact CG-CB 3.5Å; E87-S91 WeakPolarHBondContact O-CB 3.49Å; E87-S91 PolarHBondContact O-N 2.72Å; E87-S91 PolarHBondContact O-OG 3.43Å; T88-S91 PolarHBondContact O-N 2.9Å; Q89-S91 VanDerWaalsContact C-N 3.31Å; Q89-S91 PolarHBondContact O-N 3.03Å; S91-N94 PolarHBondContact O-N 3.1Å; S91-T95 PolarHBondContact O-N 3.35Å; S91-T95 PolarHBondContact O-OG1 3.45Å
92	K	98.1	Very high	98.1	Very high	91 Å²	91	57.5 Å²	57.5	40%	0.396	28%	0.28	S	S	.	.	H	α-helix	trans	-68.2	-42.8	174	-73.4	177.9	178.2	177.4	0	112.2	F60 P67 T88 Q89 I90 N94 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.23Å; F60-K92 HydrophobicContact CZ-CG 4.15Å; P67-K92 VanDerWaalsContact O-CE 3.28Å; P67-K92 WeakPolarHBondContact O-CE 3.34Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 WeakPolarHBondContact O-CG 3.23Å; T88-K92 PolarHBondContact O-N 3.47Å; Q89-K92 PolarHBondContact O-N 2.89Å; I90-K92 VanDerWaalsContact C-N 3.34Å; I90-K92 PolarHBondContact O-N 3.06Å; K92-N94 VanDerWaalsContact C-N 3.33Å; K92-N94 PolarHBondContact O-N 2.75Å; K92-T95 WeakPolarHBondContact O-CB 3.35Å; K92-T95 PolarHBondContact O-N 3.35Å; K92-Q96 PolarHBondContact O-N 2.96Å
93	T	98.3	Very high	98	Very high	72 Å²	72	55.7 Å²	55.7	44%	0.442	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-42.5	173.7	-61.7	0	0	0	0	111.2	Q89 I90 T95 Q96 T97	Q89-T93 PolarHBondContact O-N 3.27Å; Q89-T93 PolarHBondContact O-OG1 2.83Å; I90-T93 PolarHBondContact O-N 3.16Å; T93-T95 VanDerWaalsContact C-N 3.32Å; T93-T95 PolarHBondContact O-N 3.2Å; T93-Q96 PolarHBondContact O-N 2.64Å; T93-T97 PolarHBondContact O-N 3.11Å; T93-T97 PolarHBondContact O-OG1 2.64Å
94	N	98.1	Very high	98	Very high	27 Å²	27	59 Å²	59	14%	0.144	28%	0.284	C	S	.	.	H	α-helix	trans	-62	-39.1	175	-74.9	-21.4	0	0	0	111.8	F46 I90 S91 K92 Q96 T97 Y98	F46-N94 HydrophobicContact CE1-CB 4.02Å; F46-N94 HydrophobicContact CE2-CB 4.27Å; F46-N94 HydrophobicContact CZ-CB 3.66Å; I90-N94 WeakPolarHBondContact O-CB 3.49Å; I90-N94 PolarHBondContact O-N 2.87Å; I90-N94 PolarHBondContact O-ND2 2.97Å; S91-N94 PolarHBondContact O-N 3.1Å; K92-N94 VanDerWaalsContact C-N 3.33Å; K92-N94 PolarHBondContact O-N 2.75Å; N94-Q96 PolarHBondContact O-N 2.71Å; N94-T97 PolarHBondContact O-N 3.09Å; N94-T97 VanDerWaalsContact O-N 3.15Å; N94-Y98 HydrophobicContact CB-CD2 4.39Å; N94-Y98 HydrophobicContact CB-CE2 4.44Å; N94-Y98 WeakPolarHBondContact O-CD2 3.19Å; N94-Y98 PolarHBondContact O-N 3.45Å
95	T	97.9	Very high	98	Very high	17 Å²	17	57.5 Å²	57.5	10%	0.104	28%	0.279	C	S	.	.	H	α-helix	trans	-55.3	-41	175.6	-57.8	0	0	0	0	112	F46 S91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.99Å; F46-T95 VanDerWaalsContact CD1-OG1 3.3Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.48Å; S91-T95 PolarHBondContact O-N 3.35Å; S91-T95 PolarHBondContact O-OG1 3.45Å; K92-T95 WeakPolarHBondContact O-CB 3.35Å; K92-T95 PolarHBondContact O-N 3.35Å; T93-T95 VanDerWaalsContact C-N 3.32Å; T93-T95 PolarHBondContact O-N 3.2Å; T95-R99 PolarHBondContact O-N 3.48Å
96	Q	97.7	Very high	98	Very high	84 Å²	84	55.8 Å²	55.8	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-72.2	-44.2	175.9	-58.4	-52.2	-46.4	0	0	112.2	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 2.96Å; T93-Q96 PolarHBondContact O-N 2.64Å; N94-Q96 PolarHBondContact O-N 2.71Å; Q96-Y98 VanDerWaalsContact C-N 3.3Å; Q96-Y98 PolarHBondContact O-N 3.24Å; Q96-R99 WeakPolarHBondContact O-CB 3.48Å; Q96-R99 PolarHBondContact O-N 3.02Å; Q96-R99 VanDerWaalsContact O-N 3.16Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.28Å; Q96-E100 PolarHBondContact O-N 3.15Å; Q96-E100 VanDerWaalsContact O-N 3.08Å
97	T	97.5	Very high	97.9	Very high	63 Å²	63	52.7 Å²	52.7	39%	0.387	27%	0.266	S	S	.	.	H	α-helix	trans	-59.2	-41.6	179.5	-56.3	0	0	0	0	111.8	T93 N94 E100 S101	T93-T97 PolarHBondContact O-N 3.11Å; T93-T97 PolarHBondContact O-OG1 2.64Å; N94-T97 PolarHBondContact O-N 3.09Å; N94-T97 VanDerWaalsContact O-N 3.15Å; T97-E100 PolarHBondContact O-N 3.27Å; T97-S101 WeakPolarHBondContact O-CB 3.32Å; T97-S101 PolarHBondContact O-N 3.45Å; T97-S101 PolarHBondContact O-OG 3.17Å
98	Y	98	Very high	97.9	Very high	7 Å²	7	54.3 Å²	54.3	3%	0.027	27%	0.272	C	S	.	.	H	α-helix	trans	-72.3	-32.5	179	-84.3	-108.8	0	0	0	112.4	H33 A35 F46 N94 Q96 S101 L102 L119 R121	H33-Y98 HydrophobicContact CB-CE1 4.12Å; H33-Y98 WeakPolarHBondContact CB-OH 3.45Å; H33-Y98 AromaticContact CD2-CZ 3.95Å; H33-Y98 PolarHBondContact CD2-OH 2.86Å; A35-Y98 HydrophobicContact CB-CD1 3.54Å; A35-Y98 HydrophobicContact CB-CG 3.98Å; F46-Y98 HydrophobicContact CD2-CD1 4.31Å; F46-Y98 HydrophobicContact CD2-CD2 4.21Å; F46-Y98 AromaticContact CD2-CG 3.96Å; F46-Y98 HydrophobicContact CD2-CG 3.96Å; F46-Y98 HydrophobicContact CE2-CD1 4.14Å; F46-Y98 AromaticContact CE2-CD2 3.7Å; F46-Y98 HydrophobicContact CE2-CD2 3.7Å; F46-Y98 HydrophobicContact CE2-CE1 4.27Å; F46-Y98 AromaticContact CE2-CE2 3.84Å; F46-Y98 HydrophobicContact CE2-CE2 3.84Å; F46-Y98 AromaticContact CE2-CG 3.84Å; F46-Y98 HydrophobicContact CE2-CG 3.84Å; F46-Y98 HydrophobicContact CZ-CE2 4.5Å; N94-Y98 HydrophobicContact CB-CD2 4.39Å; N94-Y98 HydrophobicContact CB-CE2 4.44Å; N94-Y98 WeakPolarHBondContact O-CD2 3.19Å; N94-Y98 PolarHBondContact O-N 3.45Å; Q96-Y98 VanDerWaalsContact C-N 3.3Å; Q96-Y98 PolarHBondContact O-N 3.24Å; Y98-S101 PolarHBondContact O-N 2.83Å; Y98-L102 WeakPolarHBondContact O-CB 3.41Å; Y98-L102 VanDerWaalsContact O-CG 3.32Å; Y98-L102 WeakPolarHBondContact O-CG 3.45Å; Y98-L102 PolarHBondContact O-N 2.74Å; Y98-L119 HydrophobicContact CD1-CB 4.35Å; Y98-L119 HydrophobicContact CD1-CD2 3.62Å; Y98-L119 HydrophobicContact CD1-CG 3.86Å; Y98-L119 HydrophobicContact CE1-CD2 3.99Å; Y98-L119 HydrophobicContact CE1-CG 3.94Å; Y98-L119 HydrophobicContact CG-CD2 4.37Å; Y98-R121 HydrophobicContact CE1-CB 4.5Å; Y98-R121 WeakPolarHBondContact OH-CB 3.19Å; Y98-R121 WeakPolarHBondContact OH-CD 3.38Å
99	R	97.6	Very high	97.9	Very high	47 Å²	47	57 Å²	57	18%	0.177	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-47	172	175.9	-168.3	-60.3	-178.2	-10.4	111.2	E43 P44 T95 Q96 R103	E43-R99 VanDerWaalsContact CG-NH2 3.28Å; E43-R99 IonicContact OE1-CZ 3.61Å; E43-R99 IonicContact OE1-NH1 3.97Å; E43-R99 WeakPolarHBondContact OE2-CD 3.4Å; E43-R99 IonicContact OE2-CZ 3.33Å; E43-R99 IonicContact OE2-NE 3.53Å; E43-R99 PolarHBondContact OE2-NE 3.2Å; E43-R99 IonicContact OE2-NH1 3.58Å; E43-R99 IonicContact OE2-NH2 3.64Å; P44-R99 HydrophobicContact CG-CB 4.41Å; P44-R99 HydrophobicContact CG-CG 4.23Å; T95-R99 PolarHBondContact O-N 3.48Å; Q96-R99 WeakPolarHBondContact O-CB 3.48Å; Q96-R99 PolarHBondContact O-N 3.02Å; Q96-R99 VanDerWaalsContact O-N 3.16Å; Q96-R99 VanDerWaalsContact OE1-CZ 3.28Å; R99-R103 WeakPolarHBondContact O-CG 3.46Å; R99-R103 PolarHBondContact O-N 3Å
100	E	97.6	Very high	97.8	Very high	117 Å²	117	59 Å²	59	55%	0.547	30%	0.296	S	S	.	.	H	α-helix	trans	-65.3	-42.1	175.7	-69.1	178.5	-176.2	0	0	111.7	Q96 T97 L102 R103 N104	Q96-E100 PolarHBondContact O-N 3.15Å; Q96-E100 VanDerWaalsContact O-N 3.08Å; T97-E100 PolarHBondContact O-N 3.27Å; E100-L102 PolarHBondContact O-N 2.97Å; E100-R103 WeakPolarHBondContact O-CB 3.48Å; E100-R103 PolarHBondContact O-N 2.95Å; E100-R103 VanDerWaalsContact O-N 3.16Å; E100-N104 PolarHBondContact O-N 3.37Å; E100-N104 PolarHBondContact O-ND2 3.38Å
101	S	97.9	Very high	97.8	Very high	37 Å²	37	58.6 Å²	58.6	26%	0.259	29%	0.293	S	S	.	.	H	α-helix	trans	-60.4	-43.4	177.8	-59.7	0	0	0	0	112	T97 Y98 R103 N104 L105 L119	T97-S101 WeakPolarHBondContact O-CB 3.32Å; T97-S101 PolarHBondContact O-N 3.45Å; T97-S101 PolarHBondContact O-OG 3.17Å; Y98-S101 PolarHBondContact O-N 2.83Å; S101-R103 VanDerWaalsContact C-N 3.33Å; S101-R103 PolarHBondContact O-N 3.44Å; S101-N104 PolarHBondContact O-N 3.06Å; S101-L105 WeakPolarHBondContact O-CB 3.45Å; S101-L105 WeakPolarHBondContact O-CD1 3.41Å; S101-L105 VanDerWaalsContact O-CG 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.28Å; S101-L105 PolarHBondContact O-N 3.34Å; S101-L119 VanDerWaalsContact CB-CD2 3.5Å
102	L	98.4	Very high	97.7	Very high	9 Å²	9	62.5 Å²	62.5	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-60.8	-40	174.9	-77	167.7	0	0	0	112.2	A35 P44 Y98 E100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.85Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.95Å; Y98-L102 WeakPolarHBondContact O-CB 3.41Å; Y98-L102 VanDerWaalsContact O-CG 3.32Å; Y98-L102 WeakPolarHBondContact O-CG 3.45Å; Y98-L102 PolarHBondContact O-N 2.74Å; E100-L102 PolarHBondContact O-N 2.97Å; L102-R106 WeakPolarHBondContact O-CB 3.49Å; L102-R106 PolarHBondContact O-N 2.89Å; L102-H117 HydrophobicContact CD2-CB 4.3Å; L102-L119 HydrophobicContact CD2-CB 3.67Å; L102-L119 HydrophobicContact CG-CB 4.17Å; L102-Y142 HydrophobicContact CD2-CE2 4.07Å
103	R	97.1	Very high	97.5	Very high	129 Å²	129	64.4 Å²	64.4	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-65.1	-43	175.6	-68.9	175.5	-173.9	167.1	1.7	111.6	E43 R99 E100 S101 G107	E43-R103 IonicContact OE1-NH2 3.86Å; E43-R103 IonicContact OE2-NH2 3.68Å; R99-R103 WeakPolarHBondContact O-CG 3.46Å; R99-R103 PolarHBondContact O-N 3Å; E100-R103 WeakPolarHBondContact O-CB 3.48Å; E100-R103 PolarHBondContact O-N 2.95Å; E100-R103 VanDerWaalsContact O-N 3.16Å; S101-R103 VanDerWaalsContact C-N 3.33Å; S101-R103 PolarHBondContact O-N 3.44Å; R103-G107 PolarHBondContact O-N 3.49Å
104	N	97.6	Very high	97.2	Very high	80 Å²	80	64.8 Å²	64.8	43%	0.428	34%	0.341	S	S	.	.	H	α-helix	trans	-63.8	-48.2	177.9	-71.8	-26.3	0	0	0	111.8	E100 S101 G107 Y108	E100-N104 PolarHBondContact O-N 3.37Å; E100-N104 PolarHBondContact O-ND2 3.38Å; S101-N104 PolarHBondContact O-N 3.06Å; N104-G107 CarbonylContact O-C 3.58Å; N104-G107 WeakPolarHBondContact O-CA 3.32Å; N104-G107 PolarHBondContact O-N 3.44Å; N104-G107 VanDerWaalsContact O-N 3.1Å; N104-Y108 HydrophobicContact CB-CE2 4.38Å; N104-Y108 WeakPolarHBondContact O-CD1 3.38Å; N104-Y108 PolarHBondContact O-N 2.98Å
105	L	98.2	Very high	97	Very high	8 Å²	8	64.7 Å²	64.7	4%	0.042	35%	0.346	C	S	.	.	H	α-helix	trans	-60.8	-47.2	-180	-72	164.7	0	0	0	111.3	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.45Å; S101-L105 WeakPolarHBondContact O-CD1 3.41Å; S101-L105 VanDerWaalsContact O-CG 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.28Å; S101-L105 PolarHBondContact O-N 3.34Å; L105-G107 PolarHBondContact O-N 2.92Å; L105-Y108 PolarHBondContact O-N 3Å; L105-Y109 HydrophobicContact CD2-CE2 4.31Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.29Å; L105-Y109 PolarHBondContact O-N 3.36Å; L105-L119 HydrophobicContact CD1-CB 4.45Å; L105-L119 HydrophobicContact CD1-CD1 3.74Å; L105-L119 HydrophobicContact CD1-CD2 3.9Å; L105-L119 HydrophobicContact CD1-CG 4.24Å; L105-Y142 HydrophobicContact CB-CD1 4.46Å; L105-Y142 HydrophobicContact CB-CD2 4.09Å; L105-Y142 HydrophobicContact CB-CE1 4.12Å; L105-Y142 HydrophobicContact CB-CE2 3.7Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.56Å; L105-Y142 HydrophobicContact CD1-CE2 3.88Å; L105-Y142 HydrophobicContact CD1-CG 4.11Å; L105-Y142 HydrophobicContact CG-CD2 4.32Å; L105-Y142 HydrophobicContact CG-CE2 4.38Å; L105-Y147 HydrophobicContact CD2-CD1 4.38Å; L105-Y147 HydrophobicContact CD2-CD2 4.13Å; L105-Y147 HydrophobicContact CD2-CE1 3.76Å; L105-Y147 HydrophobicContact CD2-CE2 3.46Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.46Å; L105-Y147 VanDerWaalsContact CD2-OH 3.31Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.1Å
106	R	97.6	Very high	97	Very high	64 Å²	64	67.9 Å²	67.9	24%	0.242	37%	0.369	C	S	.	.	H	α-helix	trans	-52.9	-42.2	173.5	-174.3	-170.9	65.9	176.5	10.2	111.8	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.49Å; L102-R106 PolarHBondContact O-N 2.89Å; R106-N110 PolarHBondContact O-N 3.39Å; R106-N110 VanDerWaalsContact O-N 3.17Å; R106-Q111 HydrophobicContact CG-CB 3.79Å; R106-Q111 WeakPolarHBondContact CG-O 3.37Å; R106-Q111 PolarHBondContact O-N 3.49Å; R106-E113 IonicContact CZ-OE1 3.22Å; R106-E113 IonicContact NH1-OE1 2.82Å; R106-E113 PolarHBondContact NH1-OE1 2.9Å; R106-E113 IonicContact NH2-OE1 2.79Å; R106-E113 PolarHBondContact NH2-OE1 3.36Å
107	G	97.5	Very high	97	Very high	42 Å²	42	64.7 Å²	64.7	43%	0.433	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-45.6	174.9	0	0	0	0	0	113.3	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.49Å; N104-G107 CarbonylContact O-C 3.58Å; N104-G107 WeakPolarHBondContact O-CA 3.32Å; N104-G107 PolarHBondContact O-N 3.44Å; N104-G107 VanDerWaalsContact O-N 3.1Å; L105-G107 PolarHBondContact O-N 2.92Å; G107-Y109 VanDerWaalsContact C-N 3.25Å; G107-Y109 PolarHBondContact O-N 2.98Å; G107-N110 PolarHBondContact O-N 3.11Å; G107-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-OD1 3.01Å
108	Y	98	Very high	97.1	Very high	55 Å²	55	63.5 Å²	63.5	22%	0.216	35%	0.347	C	S	.	.	H	α-helix	trans	-62	-34.1	179.7	-61.2	-15.1	0	0	0	112.8	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.38Å; N104-Y108 WeakPolarHBondContact O-CD1 3.38Å; N104-Y108 PolarHBondContact O-N 2.98Å; L105-Y108 PolarHBondContact O-N 3Å; Y108-I166 HydrophobicContact CD1-CD1 4.15Å; Y108-I166 HydrophobicContact CE1-CG2 4.18Å; Y108-I166 HydrophobicContact CE2-CB 4.38Å; Y108-I166 HydrophobicContact CE2-CG2 4.09Å; Y108-I166 HydrophobicContact CG-CD1 4.15Å; Y108-K170 PolarHBondContact OH-NZ 3.36Å
109	Y	98	Very high	97.1	Very high	68 Å²	68	63.4 Å²	63.4	27%	0.267	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	4.8	178	-69.5	-72.3	0	0	0	114	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.31Å; L105-Y109 VanDerWaalsContact O-CD2 3.26Å; L105-Y109 WeakPolarHBondContact O-CD2 3.29Å; L105-Y109 PolarHBondContact O-N 3.36Å; G107-Y109 VanDerWaalsContact C-N 3.25Å; G107-Y109 PolarHBondContact O-N 2.98Å; Y109-Q111 PolarHBondContact O-N 3.43Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.51Å; Y109-Y142 HydrophobicContact CE2-CD1 3.51Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.41Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.06Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.09Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.25Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.46Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.32Å; Y109-D161 PolarHBondContact OH-OD2 3.45Å; Y109-A163 HydrophobicContact CD1-CB 4.12Å; Y109-A163 HydrophobicContact CD2-CB 4.37Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.87Å; Y109-A163 HydrophobicContact CG-CB 4.48Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	97.2	Very high	97.2	Very high	153 Å²	153	64.8 Å²	64.8	82%	0.818	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	39.5	-176.9	-58.5	-55.6	0	0	0	113.3	R106 G107	R106-N110 PolarHBondContact O-N 3.39Å; R106-N110 VanDerWaalsContact O-N 3.17Å; G107-N110 PolarHBondContact O-N 3.11Å; G107-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-OD1 3.01Å
111	Q	97.5	Very high	97.2	Very high	59 Å²	59	60.7 Å²	60.7	28%	0.276	34%	0.335	S	S	.	.			trans	-86	150.7	-176.2	-70.8	169.3	-33.6	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.79Å; R106-Q111 WeakPolarHBondContact CG-O 3.37Å; R106-Q111 PolarHBondContact O-N 3.49Å; Y109-Q111 PolarHBondContact O-N 3.43Å; Q111-H117 PolarHBondContact NE2-CE1 3.5Å; Q111-H117 PolarHBondContact OE1-CE1 3.26Å; Q111-H117 PolarHBondContact OE1-ND1 2.9Å; Q111-Y142 PolarHBondContact OE1-OH 2.94Å; Q111-D143 PolarHBondContact NE2-OD2 3.44Å
112	S	95.8	Very high	97.3	Very high	83 Å²	83	60 Å²	60	58%	0.58	33%	0.327	S	S	*	.			trans	-66.1	146.7	178.7	176.2	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 3.46Å; S112-A114 PolarHBondContact OG-N 2.94Å; S112-G115 PolarHBondContact O-N 3.42Å
113	E	93.4	Very high	97.3	Very high	131 Å²	131	60.7 Å²	60.7	61%	0.612	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.6	174.9	-55.1	-152	126.4	0	0	113.9	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.18Å; P39-E113 WeakPolarHBondContact CG-O 3.43Å; R106-E113 IonicContact CZ-OE1 3.22Å; R106-E113 IonicContact NH1-OE1 2.82Å; R106-E113 PolarHBondContact NH1-OE1 2.9Å; R106-E113 IonicContact NH2-OE1 2.79Å; R106-E113 PolarHBondContact NH2-OE1 3.36Å; E113-G115 VanDerWaalsContact C-N 3.25Å; E113-G115 PolarHBondContact O-N 3.3Å
114	A	93.6	Very high	97.3	Very high	81 Å²	81	54.6 Å²	54.6	67%	0.669	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-13.1	177.3	0	0	0	0	0	112.9	S112	S112-A114 PolarHBondContact O-N 3.46Å; S112-A114 PolarHBondContact OG-N 2.94Å
115	G	93.6	Very high	97.4	Very high	25 Å²	25	50.8 Å²	50.8	26%	0.258	29%	0.286	S	S	.	.			trans	-74.8	134.2	-179.2	0	0	0	0	0	113	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.35Å; S112-G115 PolarHBondContact O-N 3.42Å; E113-G115 VanDerWaalsContact C-N 3.25Å; E113-G115 PolarHBondContact O-N 3.3Å; G115-H117 PolarHBondContact O-CD2 2.78Å; G115-H117 VanDerWaalsContact O-CD2 3.23Å
116	S	97	Very high	97.4	Very high	84 Å²	84	51.8 Å²	51.8	59%	0.587	29%	0.292	S	S	*	.			trans	-83.5	131.7	166.3	-176	0	0	0	0	109	S37	S37-S116 PolarHBondContact O-OG 3.21Å
117	H	98.4	Very high	97.4	Very high	16 Å²	16	48.8 Å²	48.8	7%	0.074	28%	0.281	C	S	.	.			trans	-132.7	151.1	-174.6	-64.4	-70.1	0	0	0	111.1	M36 S37 L102 Q111 G115 Y142 D143	M36-H117 WeakPolarHBondContact CA-O 3.48Å; S37-H117 PolarHBondContact N-O 2.88Å; S37-H117 PolarHBondContact OG-N 3.36Å; S37-H117 PolarHBondContact OG-O 3.36Å; L102-H117 HydrophobicContact CD2-CB 4.3Å; Q111-H117 PolarHBondContact NE2-CE1 3.5Å; Q111-H117 PolarHBondContact OE1-CE1 3.26Å; Q111-H117 PolarHBondContact OE1-ND1 2.9Å; G115-H117 PolarHBondContact O-CD2 2.78Å; G115-H117 VanDerWaalsContact O-CD2 3.23Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.44Å; H117-Y142 AromaticContact ND1-CZ 3.95Å; H117-Y142 PolarHBondContact ND1-OH 3.39Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 IonicContact CE1-OD2 3.52Å; H117-D143 IonicContact CG-OD1 3.47Å; H117-D143 IonicContact CG-OD2 3.88Å; H117-D143 IonicContact ND1-OD1 2.75Å; H117-D143 IonicContact ND1-OD2 3.6Å; H117-D143 PolarHBondContact ND1-OD2 2.87Å
118	T	98.7	Very high	97.2	Very high	39 Å²	39	47 Å²	47	24%	0.239	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.6	-177.2	-55.7	0	0	0	0	110.6	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 3.34Å; M36-T118 HydrophobicContact CG-CG2 4.13Å; T118-Q120 HydrophobicContact CG2-CG 3.99Å; T118-Y142 CarbonylContact O-C 3.6Å; T118-Y142 WeakPolarHBondContact O-CA 3.37Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.36Å; T118-D143 PolarHBondContact N-OD1 2.94Å; T118-D143 PolarHBondContact O-N 3.01Å
119	L	98.8	Very high	96.9	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.3	170.7	175.3	60.5	0	0	0	108.9	A35 Y98 S101 L102 L105 Y140 A141 Y142	A35-L119 PolarHBondContact N-O 2.89Å; A35-L119 PolarHBondContact O-N 3.25Å; Y98-L119 HydrophobicContact CD1-CB 4.35Å; Y98-L119 HydrophobicContact CD1-CD2 3.62Å; Y98-L119 HydrophobicContact CD1-CG 3.86Å; Y98-L119 HydrophobicContact CE1-CD2 3.99Å; Y98-L119 HydrophobicContact CE1-CG 3.94Å; Y98-L119 HydrophobicContact CG-CD2 4.37Å; S101-L119 VanDerWaalsContact CB-CD2 3.5Å; L102-L119 HydrophobicContact CD2-CB 3.67Å; L102-L119 HydrophobicContact CG-CB 4.17Å; L105-L119 HydrophobicContact CD1-CB 4.45Å; L105-L119 HydrophobicContact CD1-CD1 3.74Å; L105-L119 HydrophobicContact CD1-CD2 3.9Å; L105-L119 HydrophobicContact CD1-CG 4.24Å; L119-Y140 HydrophobicContact CD1-CD1 4.21Å; L119-A141 WeakPolarHBondContact CD1-O 3.29Å; L119-Y142 HydrophobicContact CB-CD2 4.48Å
120	Q	98.8	Very high	96.6	Very high	76 Å²	76	50.8 Å²	50.8	36%	0.355	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.3	178.7	-67.8	169.4	-84.1	0	0	110.6	H33 T34 T118 Y140 A141	H33-Q120 CarbonylContact O-C 3.49Å; H33-Q120 WeakPolarHBondContact O-CA 3.4Å; T34-Q120 HydrophobicContact CG2-CG 4.12Å; T118-Q120 HydrophobicContact CG2-CG 3.99Å; Q120-Y140 CarbonylContact O-C 3.54Å; Q120-Y140 WeakPolarHBondContact O-CA 3.38Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 3.34Å; Q120-A141 PolarHBondContact O-N 2.92Å
121	R	98.6	Very high	96.4	Very high	31 Å²	31	44 Å²	44	12%	0.117	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	138.7	168.8	-174.7	-167.1	178.9	-161.5	1.9	109.7	F32 H33 Y98 Y123 N138 Q139 Y140	F32-R121 CarbonylContact C-O 3.59Å; F32-R121 WeakPolarHBondContact CA-O 3.38Å; H33-R121 HydrophobicContact CB-CB 4.17Å; H33-R121 PolarHBondContact N-O 2.83Å; H33-R121 PolarHBondContact O-N 3.41Å; Y98-R121 HydrophobicContact CE1-CB 4.5Å; Y98-R121 WeakPolarHBondContact OH-CB 3.19Å; Y98-R121 WeakPolarHBondContact OH-CD 3.38Å; R121-Y123 HydrophobicContact CG-CD1 4.19Å; R121-N138 PolarHBondContact NE-OD1 2.84Å; R121-N138 PolarHBondContact NH2-OD1 3.17Å; R121-Q139 CarbonylContact C-O 3.58Å; R121-Q139 VanDerWaalsContact CA-O 3.24Å; R121-Q139 WeakPolarHBondContact CA-O 3.36Å; R121-Q139 WeakPolarHBondContact CG-O 3.33Å; R121-Y140 HydrophobicContact CB-CD1 3.68Å; R121-Y140 HydrophobicContact CB-CE1 3.68Å; R121-Y140 HydrophobicContact CB-CG 4.38Å; R121-Y140 VanDerWaalsContact CD-CZ 3.47Å; R121-Y140 WeakPolarHBondContact CD-OH 3.45Å; R121-Y140 HydrophobicContact CG-CD1 3.85Å; R121-Y140 HydrophobicContact CG-CD2 4.41Å; R121-Y140 HydrophobicContact CG-CE1 3.55Å; R121-Y140 HydrophobicContact CG-CE2 4.14Å; R121-Y140 HydrophobicContact CG-CG 4.27Å; R121-Y140 PolarHBondContact NE-OH 3.03Å
122	M	98.7	Very high	96.3	Very high	22 Å²	22	49.3 Å²	49.3	11%	0.108	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.4	163.2	-176.7	-78.4	-74.3	0	0	108.1	Y31 F32 H137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.43Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.76Å; F32-M122 HydrophobicContact CE1-CB 4.07Å; F32-M122 HydrophobicContact CE1-CG 3.4Å; F32-M122 VanDerWaalsContact CE1-CG 3.4Å; F32-M122 HydrophobicContact CZ-CG 4.01Å; M122-H137 HydrophobicContact CE-CB 3.93Å; M122-H137 HydrophobicContact SD-CB 3.92Å; M122-N138 WeakPolarHBondContact O-CA 3.24Å; M122-Q139 HydrophobicContact CB-CG 4.17Å; M122-Q139 HydrophobicContact CE-CG 4.05Å; M122-Q139 PolarHBondContact N-O 3.39Å; M122-Q139 PolarHBondContact O-N 3.46Å
123	Y	98.7	Very high	96.4	Very high	25 Å²	25	47.9 Å²	47.9	10%	0.098	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	159.2	170.1	70.7	-83	0	0	0	110.7	Y31 H33 R121 H137 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.5Å; Y31-Y123 AromaticContact CD2-CE2 3.74Å; Y31-Y123 HydrophobicContact CD2-CE2 3.74Å; Y31-Y123 AromaticContact CD2-CZ 3.83Å; Y31-Y123 HydrophobicContact CG-CE1 4.37Å; Y31-Y123 HydrophobicContact CG-CE2 4.25Å; Y31-Y123 AromaticContact CG-CZ 3.87Å; Y31-Y123 PolarHBondContact N-O 2.82Å; Y31-Y123 PolarHBondContact O-N 3.16Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å; H33-Y123 AromaticContact CE1-CE1 3.38Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.4Å; H33-Y123 AromaticContact CE1-CZ 3.97Å; H33-Y123 AromaticContact ND1-CE1 3.99Å; H33-Y123 AromaticContact NE2-CE1 3.52Å; R121-Y123 HydrophobicContact CG-CD1 4.19Å; Y123-H137 CarbonylContact C-O 3.58Å; Y123-H137 WeakPolarHBondContact CA-O 3.42Å; Y123-H137 VanDerWaalsContact CB-O 3.25Å; Y123-H137 WeakPolarHBondContact CB-O 3.19Å; Y123-Y183 AromaticContact CD2-CE1 3.91Å; Y123-Y183 HydrophobicContact CD2-CE1 3.91Å; Y123-Y183 AromaticContact CE2-CE1 3.82Å; Y123-Y183 HydrophobicContact CE2-CE1 3.82Å
124	G	98.6	Very high	96.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.7	-175.9	-178.1	0	0	0	0	0	113.3	M29 H137 L184	M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.39Å; G124-H137 PolarHBondContact N-O 2.95Å; G124-H137 PolarHBondContact O-N 2.85Å; G124-L184 WeakPolarHBondContact O-CD2 3.14Å
125	C	98.6	Very high	96.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.2	-175.4	50.4	0	0	0	0	110.6	S28 M29 L133 R135 C188 V189	S28-C125 WeakPolarHBondContact CA-O 3.48Å; M29-C125 PolarHBondContact N-O 2.83Å; M29-C125 PolarHBondContact O-N 2.92Å; C125-L133 HydrophobicContact CB-CD1 3.61Å; C125-R135 CarbonylContact C-O 3.51Å; C125-R135 WeakPolarHBondContact CA-O 3.22Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.49Å; C125-C188 PolarHBondContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.31Å; C125-C188 PolarHBondContact SG-O 3.39Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.12Å; C125-V189 HydrophobicContact CB-CG2 4.41Å
126	D	98.2	Very high	96.9	Very high	30 Å²	30	47.4 Å²	47.4	16%	0.16	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.1	172.1	-52.7	-24.3	0	0	0	108.2	H27 S28 R30 L134 R135 H137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.18Å; S28-D126 WeakPolarHBondContact CB-OD1 3.39Å; R30-D126 IonicContact CZ-OD1 3.99Å; R30-D126 IonicContact NE-OD1 2.86Å; R30-D126 PolarHBondContact NE-OD1 2.8Å; R30-D126 VanDerWaalsContact NE-OD1 3.16Å; R30-D126 VanDerWaalsContact NH2-CG 3.29Å; R30-D126 IonicContact NH2-OD1 3.92Å; R30-D126 PolarHBondContact NH2-OD1 2.79Å; R30-D126 IonicContact NH2-OD2 2.64Å; R30-D126 PolarHBondContact NH2-OD2 2.96Å; D126-L134 HydrophobicContact CB-CB 4.49Å; D126-L134 PolarHBondContact O-N 2.82Å; D126-R135 HydrophobicContact CB-CB 4.37Å; D126-R135 PolarHBondContact N-O 2.88Å; D126-R135 PolarHBondContact O-N 3.01Å; D126-H137 IonicContact OD1-CD2 3.77Å; D126-H137 IonicContact OD1-NE2 3.77Å; D126-H137 IonicContact OD2-CD2 2.78Å; D126-H137 IonicContact OD2-CE1 3.72Å; D126-H137 IonicContact OD2-NE2 2.78Å; D126-H137 PolarHBondContact OD2-NE2 2.79Å
127	V	97.3	Very high	97	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.2	179.2	-60.7	0	0	0	0	111	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.56Å; S26-V127 VanDerWaalsContact CA-O 3.3Å; S26-V127 WeakPolarHBondContact CA-O 3.33Å; H27-V127 HydrophobicContact CB-CG2 4.03Å; H27-V127 PolarHBondContact N-O 2.78Å; H27-V127 PolarHBondContact O-N 2.75Å; V127-R132 CarbonylContact C-O 3.53Å; V127-R132 WeakPolarHBondContact CA-O 3.42Å; V127-R132 WeakPolarHBondContact CB-O 3.21Å; V127-V189 HydrophobicContact CG1-CB 4.41Å; V127-V189 HydrophobicContact CG1-CG1 3.99Å; V127-V189 HydrophobicContact CG1-CG2 3.98Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.57Å; V127-L192 HydrophobicContact CG2-CG 4.21Å
128	G	94.6	Very high	97	Very high	4 Å²	4	43.7 Å²	43.7	4%	0.041	22%	0.217	C	C	.	.			trans	-79.8	-179.4	173.6	0	0	0	0	0	112.3	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.57Å; G128-D130 PolarHBondContact O-N 2.87Å; G128-G131 WeakPolarHBondContact O-CA 3.45Å; G128-G131 PolarHBondContact O-N 2.8Å; G128-R132 PolarHBondContact N-O 3.16Å
129	P	91.7	Very high	97	Very high	109 Å²	109	45.5 Å²	45.5	71%	0.708	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.6	177	-23.1	32.6	0	0	0	114	A24 G25 G131	A24-P129 WeakPolarHBondContact O-CG 3.42Å; G25-P129 WeakPolarHBondContact O-CA 3.35Å; G25-P129 WeakPolarHBondContact O-CG 3.4Å; P129-G131 PolarHBondContact O-N 3.06Å
130	D	91.6	Very high	97	Very high	93 Å²	93	48 Å²	48	50%	0.497	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	3.2	173.9	70.7	-10.7	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 2.87Å; D130-R132 PolarHBondContact O-N 2.73Å; D130-R132 WeakPolarHBondContact OD1-CB 3.39Å; D130-R132 PolarHBondContact OD1-N 3.12Å; D130-R132 WeakPolarHBondContact OD2-CD 3.26Å; D130-R132 WeakPolarHBondContact OD2-CG 3.3Å; D130-R132 IonicContact OD2-CZ 3.73Å; D130-R132 IonicContact OD2-NE 3.33Å; D130-R132 IonicContact OD2-NH1 3.88Å
131	G	91.9	Very high	97	Very high	12 Å²	12	45.2 Å²	45.2	12%	0.124	22%	0.222	C	C	.	.			trans	72.1	4	-177.7	0	0	0	0	0	114.3	G128 P129 V189 R193	G128-G131 WeakPolarHBondContact O-CA 3.45Å; G128-G131 PolarHBondContact O-N 2.8Å; P129-G131 PolarHBondContact O-N 3.06Å; G131-V189 WeakPolarHBondContact O-CG1 3.42Å; G131-R193 VanDerWaalsContact C-NH2 3.26Å; G131-R193 PolarHBondContact O-NE 2.72Å; G131-R193 PolarHBondContact O-NH2 3.05Å
132	R	95.4	Very high	97	Very high	170 Å²	170	44.2 Å²	44.2	64%	0.642	22%	0.218	S	C	*	.			trans	-79.7	149.6	-179.2	-64.2	-174.4	-177.6	159.7	-3.5	111.3	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.53Å; V127-R132 WeakPolarHBondContact CA-O 3.42Å; V127-R132 WeakPolarHBondContact CB-O 3.21Å; G128-R132 PolarHBondContact N-O 3.16Å; D130-R132 PolarHBondContact O-N 2.73Å; D130-R132 WeakPolarHBondContact OD1-CB 3.39Å; D130-R132 PolarHBondContact OD1-N 3.12Å; D130-R132 WeakPolarHBondContact OD2-CD 3.26Å; D130-R132 WeakPolarHBondContact OD2-CG 3.3Å; D130-R132 IonicContact OD2-CZ 3.73Å; D130-R132 IonicContact OD2-NE 3.33Å; D130-R132 IonicContact OD2-NH1 3.88Å; R132-L134 PolarHBondContact O-N 2.85Å
133	L	97.3	Very high	96.9	Very high	53 Å²	53	46.2 Å²	46.2	28%	0.277	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	123.6	176.1	-175.2	72.5	0	0	0	110.2	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.61Å; L133-R135 WeakPolarHBondContact CD1-O 3.41Å; L133-L154 HydrophobicContact CD2-CD1 4.22Å; L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.65Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 3.88Å
134	L	96.9	Very high	96.9	Very high	116 Å²	116	47.8 Å²	47.8	61%	0.607	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	-45.5	167.6	-63.9	178.1	0	0	0	110.6	D126 R132	D126-L134 HydrophobicContact CB-CB 4.49Å; D126-L134 PolarHBondContact O-N 2.82Å; R132-L134 PolarHBondContact O-N 2.85Å
135	R	97.1	Very high	96.9	Very high	105 Å²	105	55.3 Å²	55.3	40%	0.396	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	137.8	-175.1	-171.3	172.5	174.9	138.8	8.5	111.8	C125 D126 L133 H137 E152	C125-R135 CarbonylContact C-O 3.51Å; C125-R135 WeakPolarHBondContact CA-O 3.22Å; D126-R135 HydrophobicContact CB-CB 4.37Å; D126-R135 PolarHBondContact N-O 2.88Å; D126-R135 PolarHBondContact O-N 3.01Å; L133-R135 WeakPolarHBondContact CD1-O 3.41Å; R135-H137 WeakPolarHBondContact CD-CE1 3.23Å; R135-H137 PolarHBondContact NE-CE1 3.4Å; R135-E152 IonicContact CZ-OE1 2.72Å; R135-E152 IonicContact NH1-OE1 3.62Å; R135-E152 PolarHBondContact NH1-OE1 2.95Å; R135-E152 IonicContact NH2-OE1 3.34Å; R135-E152 PolarHBondContact NH2-OE1 3.31Å
136	G	98.1	Very high	96.9	Very high	5 Å²	5	61.3 Å²	61.3	5%	0.052	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	147	168.1	0	0	0	0	0	110.9
137	H	98.1	Very high	96.9	Very high	21 Å²	21	60.3 Å²	60.3	10%	0.097	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.3	-178.8	-57.1	-93.3	0	0	0	110.3	R30 M122 Y123 G124 D126 R135	R30-H137 PolarHBondContact NH2-NE2 2.85Å; R30-H137 VanDerWaalsContact NH2-NE2 3.12Å; M122-H137 HydrophobicContact CE-CB 3.93Å; M122-H137 HydrophobicContact SD-CB 3.92Å; Y123-H137 CarbonylContact C-O 3.58Å; Y123-H137 WeakPolarHBondContact CA-O 3.42Å; Y123-H137 VanDerWaalsContact CB-O 3.25Å; Y123-H137 WeakPolarHBondContact CB-O 3.19Å; G124-H137 PolarHBondContact N-O 2.95Å; G124-H137 PolarHBondContact O-N 2.85Å; D126-H137 IonicContact OD1-CD2 3.77Å; D126-H137 IonicContact OD1-NE2 3.77Å; D126-H137 IonicContact OD2-CD2 2.78Å; D126-H137 IonicContact OD2-CE1 3.72Å; D126-H137 IonicContact OD2-NE2 2.78Å; D126-H137 PolarHBondContact OD2-NE2 2.79Å; R135-H137 WeakPolarHBondContact CD-CE1 3.23Å; R135-H137 PolarHBondContact NE-CE1 3.4Å
138	N	98.6	Very high	97	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.011	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	105.1	165.1	-179.1	87.9	0	0	0	109.9	R121 M122 Y140 L150 L180	R121-N138 PolarHBondContact NE-OD1 2.84Å; R121-N138 PolarHBondContact NH2-OD1 3.17Å; M122-N138 WeakPolarHBondContact O-CA 3.24Å; N138-Y140 WeakPolarHBondContact ND2-CE2 3Å; N138-L150 HydrophobicContact CB-CB 4Å; N138-L150 HydrophobicContact CB-CD2 4.16Å; N138-L150 WeakPolarHBondContact O-CB 3.29Å; N138-L150 PolarHBondContact O-N 3.06Å; N138-L180 HydrophobicContact CB-CD1 4.28Å
139	Q	98.6	Very high	97.2	Very high	77 Å²	77	61.8 Å²	61.8	36%	0.36	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.2	-176.2	64.8	-165.9	51.7	0	0	111.7	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.58Å; R121-Q139 VanDerWaalsContact CA-O 3.24Å; R121-Q139 WeakPolarHBondContact CA-O 3.36Å; R121-Q139 WeakPolarHBondContact CG-O 3.33Å; M122-Q139 HydrophobicContact CB-CG 4.17Å; M122-Q139 HydrophobicContact CE-CG 4.05Å; M122-Q139 PolarHBondContact N-O 3.39Å; M122-Q139 PolarHBondContact O-N 3.46Å; Q139-I148 WeakPolarHBondContact CA-O 3.35Å; Q139-A149 HydrophobicContact CB-CB 3.9Å
140	Y	98.8	Very high	97.5	Very high	56 Å²	56	57.2 Å²	57.2	22%	0.22	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.8	178.1	-64.5	-99	0	0	0	110.8	L119 Q120 R121 N138 Y147 I148	L119-Y140 HydrophobicContact CD1-CD1 4.21Å; Q120-Y140 CarbonylContact O-C 3.54Å; Q120-Y140 WeakPolarHBondContact O-CA 3.38Å; R121-Y140 HydrophobicContact CB-CD1 3.68Å; R121-Y140 HydrophobicContact CB-CE1 3.68Å; R121-Y140 HydrophobicContact CB-CG 4.38Å; R121-Y140 VanDerWaalsContact CD-CZ 3.47Å; R121-Y140 WeakPolarHBondContact CD-OH 3.45Å; R121-Y140 HydrophobicContact CG-CD1 3.85Å; R121-Y140 HydrophobicContact CG-CD2 4.41Å; R121-Y140 HydrophobicContact CG-CE1 3.55Å; R121-Y140 HydrophobicContact CG-CE2 4.14Å; R121-Y140 HydrophobicContact CG-CG 4.27Å; R121-Y140 PolarHBondContact NE-OH 3.03Å; N138-Y140 WeakPolarHBondContact ND2-CE2 3Å; Y140-Y147 WeakPolarHBondContact O-CB 3.41Å; Y140-Y147 PolarHBondContact O-N 3.36Å; Y140-I148 HydrophobicContact CD2-CG2 3.89Å; Y140-I148 HydrophobicContact CG-CG2 4.39Å; Y140-I148 PolarHBondContact N-O 3.4Å; Y140-I148 PolarHBondContact O-N 2.6Å
141	A	98.8	Very high	97.8	Very high	17 Å²	17	54.9 Å²	54.9	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	143.3	170.9	0	0	0	0	0	110.2	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.29Å; Q120-A141 HydrophobicContact CB-CB 4.36Å; Q120-A141 PolarHBondContact N-O 3.34Å; Q120-A141 PolarHBondContact O-N 2.92Å; A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.35Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.4Å
142	Y	98.8	Very high	98.1	Very high	11 Å²	11	60.7 Å²	60.7	4%	0.043	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.1	176.7	-175.2	-117	0	0	0	109.8	L102 L105 Y109 Q111 H117 T118 L119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.07Å; L105-Y142 HydrophobicContact CB-CD1 4.46Å; L105-Y142 HydrophobicContact CB-CD2 4.09Å; L105-Y142 HydrophobicContact CB-CE1 4.12Å; L105-Y142 HydrophobicContact CB-CE2 3.7Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.56Å; L105-Y142 HydrophobicContact CD1-CE2 3.88Å; L105-Y142 HydrophobicContact CD1-CG 4.11Å; L105-Y142 HydrophobicContact CG-CD2 4.32Å; L105-Y142 HydrophobicContact CG-CE2 4.38Å; Y109-Y142 AromaticContact CD2-CD1 3.73Å; Y109-Y142 HydrophobicContact CD2-CD1 3.73Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.51Å; Y109-Y142 HydrophobicContact CE2-CD1 3.51Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.41Å; Q111-Y142 PolarHBondContact OE1-OH 2.94Å; H117-Y142 HydrophobicContact CB-CE2 3.89Å; H117-Y142 WeakPolarHBondContact CB-OH 3.44Å; H117-Y142 AromaticContact ND1-CZ 3.95Å; H117-Y142 PolarHBondContact ND1-OH 3.39Å; T118-Y142 CarbonylContact O-C 3.6Å; T118-Y142 WeakPolarHBondContact O-CA 3.37Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.36Å; L119-Y142 HydrophobicContact CB-CD2 4.48Å; Y142-G144 PolarHBondContact O-N 3.02Å; Y142-K145 PolarHBondContact N-O 3.17Å; Y142-K145 PolarHBondContact O-N 3.38Å
143	D	98.3	Very high	98.2	Very high	63 Å²	63	56.4 Å²	56.4	34%	0.337	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.4	-174.4	-66	-23	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.44Å; H117-D143 WeakPolarHBondContact CA-OD1 3.4Å; H117-D143 IonicContact CE1-OD2 3.52Å; H117-D143 IonicContact CG-OD1 3.47Å; H117-D143 IonicContact CG-OD2 3.88Å; H117-D143 IonicContact ND1-OD1 2.75Å; H117-D143 IonicContact ND1-OD2 3.6Å; H117-D143 PolarHBondContact ND1-OD2 2.87Å; T118-D143 PolarHBondContact N-OD1 2.94Å; T118-D143 PolarHBondContact O-N 3.01Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.83Å
144	G	97.3	Very high	98.2	Very high	58 Å²	58	54.2 Å²	54.2	60%	0.598	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	5.5	177.7	0	0	0	0	0	115.4	Y142	Y142-G144 PolarHBondContact O-N 3.02Å
145	K	98.5	Very high	98.2	Very high	159 Å²	159	56.6 Å²	56.6	69%	0.691	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	145.5	176.8	-62.2	179.9	-177.5	178.2	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.55Å; A141-K145 WeakPolarHBondContact CA-O 3.35Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.4Å; Y142-K145 PolarHBondContact N-O 3.17Å; Y142-K145 PolarHBondContact O-N 3.38Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.83Å; K145-Y147 PolarHBondContact O-N 3.28Å
146	D	98.6	Very high	98.3	Very high	125 Å²	125	53.5 Å²	53.5	67%	0.668	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.1	135.6	173.7	-68.1	-36.5	0	0	0	110.7	A160	D146-A160 WeakPolarHBondContact O-CB 3.45Å
147	Y	98.8	Very high	98.3	Very high	9 Å²	9	53.8 Å²	53.8	4%	0.035	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-62.8	-178.3	178.6	-109.6	0	0	0	110.7	L105 Y109 Y140 K145 A160 A163 A164 S167	L105-Y147 HydrophobicContact CD2-CD1 4.38Å; L105-Y147 HydrophobicContact CD2-CD2 4.13Å; L105-Y147 HydrophobicContact CD2-CE1 3.76Å; L105-Y147 HydrophobicContact CD2-CE2 3.46Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.46Å; L105-Y147 VanDerWaalsContact CD2-OH 3.31Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.1Å; Y109-Y147 HydrophobicContact CE2-CD2 4.38Å; Y109-Y147 HydrophobicContact CE2-CE2 4.06Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.09Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.25Å; Y140-Y147 WeakPolarHBondContact O-CB 3.41Å; Y140-Y147 PolarHBondContact O-N 3.36Å; K145-Y147 PolarHBondContact O-N 3.28Å; Y147-A160 WeakPolarHBondContact O-CB 3.23Å; Y147-A160 PolarHBondContact O-N 3.1Å; Y147-A163 PolarHBondContact OH-O 3.48Å; Y147-A164 HydrophobicContact CD2-CB 3.82Å; Y147-A164 HydrophobicContact CE1-CB 4.49Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.67Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 WeakPolarHBondContact O-CB 3.3Å; Y147-S167 WeakPolarHBondContact OH-CB 3.49Å; Y147-S167 PolarHBondContact OH-OG 2.7Å
148	I	98.7	Very high	98.3	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	139.4	178.3	-161.9	171.2	0	0	0	110.9	Q139 Y140 W157 T158 Q168 L171	Q139-I148 WeakPolarHBondContact CA-O 3.35Å; Y140-I148 HydrophobicContact CD2-CG2 3.89Å; Y140-I148 HydrophobicContact CG-CG2 4.39Å; Y140-I148 PolarHBondContact N-O 3.4Å; Y140-I148 PolarHBondContact O-N 2.6Å; I148-W157 HydrophobicContact CD1-CB 4.29Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.17Å; I148-W157 HydrophobicContact CG1-CB 4.37Å; I148-W157 HydrophobicContact CG1-CE3 4.01Å; I148-T158 WeakPolarHBondContact CA-O 3.49Å; I148-T158 WeakPolarHBondContact CG1-O 3.34Å; I148-Q168 HydrophobicContact CD1-CB 3.79Å; I148-L171 HydrophobicContact CD1-CD1 3.87Å
149	A	98.8	Very high	98.3	Very high	30 Å²	30	57.7 Å²	57.7	25%	0.248	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.3	179.4	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.9Å; A149-W157 CarbonylContact O-C 3.56Å; A149-W157 WeakPolarHBondContact O-CA 3.5Å; A149-T158 PolarHBondContact N-O 2.84Å; A149-T158 PolarHBondContact O-N 2.98Å
150	L	98.8	Very high	98.3	Very high	13 Å²	13	56.9 Å²	56.9	7%	0.068	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.6	166.8	-176.3	68.9	0	0	0	108.1	N138 L154 W157 A177 L180 L184	N138-L150 HydrophobicContact CB-CB 4Å; N138-L150 HydrophobicContact CB-CD2 4.16Å; N138-L150 WeakPolarHBondContact O-CB 3.29Å; N138-L150 PolarHBondContact O-N 3.06Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; L150-W157 HydrophobicContact CB-CE3 4.14Å; L150-W157 HydrophobicContact CB-CH2 4.29Å; L150-W157 HydrophobicContact CB-CZ3 3.91Å; L150-W157 HydrophobicContact CD1-CD2 4.23Å; L150-W157 HydrophobicContact CD1-CE3 4.43Å; L150-W157 HydrophobicContact CD1-CH2 4.26Å; L150-W157 HydrophobicContact CD1-CZ2 4.02Å; L150-W157 HydrophobicContact CD1-CZ3 4.46Å; L150-A177 HydrophobicContact CD1-CB 3.94Å; L150-L180 HydrophobicContact CD2-CB 4.21Å; L150-L180 HydrophobicContact CD2-CD1 4.37Å; L150-L184 HydrophobicContact CD2-CD1 4.04Å
151	N	98.6	Very high	98.3	Very high	44 Å²	44	56.8 Å²	56.8	24%	0.235	32%	0.315	C	S	.	.			trans	-72.6	164	-179.3	-67	-26.2	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.31Å; N151-D153 VanDerWaalsContact O-N 3.1Å; N151-L154 PolarHBondContact O-N 3.33Å; N151-S156 WeakPolarHBondContact CB-O 3.36Å; N151-S156 WeakPolarHBondContact CB-OG 3.24Å; N151-S156 PolarHBondContact N-O 2.93Å; N151-S156 PolarHBondContact ND2-OG 3.48Å; N151-T158 PolarHBondContact ND2-OG1 3.36Å; N151-T158 WeakPolarHBondContact OD1-CB 3.31Å; N151-T158 PolarHBondContact OD1-OG1 3.48Å
152	E	97.3	Very high	98.3	Very high	135 Å²	135	61.2 Å²	61.2	63%	0.631	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-22	-179.2	-66.7	-179.6	-174.6	0	0	113.4	R135 L154	R135-E152 IonicContact CZ-OE1 2.72Å; R135-E152 IonicContact NH1-OE1 3.62Å; R135-E152 PolarHBondContact NH1-OE1 2.95Å; R135-E152 IonicContact NH2-OE1 3.34Å; R135-E152 PolarHBondContact NH2-OE1 3.31Å; E152-L154 PolarHBondContact O-N 3.43Å
153	D	97.4	Very high	98.2	Very high	79 Å²	79	60.9 Å²	60.9	42%	0.422	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-8	173.9	70	4.8	0	0	0	114.1	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.31Å; N151-D153 VanDerWaalsContact O-N 3.1Å; D153-R155 WeakPolarHBondContact O-CG 3.47Å; D153-R155 PolarHBondContact O-N 2.92Å; D153-R155 VanDerWaalsContact O-N 3.16Å; D153-R155 PolarHBondContact OD1-N 3.49Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.46Å; D153-S156 PolarHBondContact OD1-OG 3.31Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.49Å; D153-S156 PolarHBondContact OD2-OG 3.46Å
154	L	98	Very high	98.2	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.042	32%	0.324	C	S	.	.	S	Bend	trans	53.7	26.8	-175.3	-53.6	-178.6	0	0	0	113.8	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.22Å; L150-L154 HydrophobicContact CD2-CB 4.48Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.35Å; N151-L154 PolarHBondContact O-N 3.33Å; E152-L154 PolarHBondContact O-N 3.43Å; L154-R181 HydrophobicContact CB-CB 4.04Å; L154-R181 HydrophobicContact CB-CG 3.82Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; L154-E185 HydrophobicContact CD1-CG 4.21Å
155	R	97.6	Very high	98.3	Very high	165 Å²	165	58.8 Å²	58.8	62%	0.623	31%	0.313	S	S	*	.	S	Bend	trans	-133.1	-34.3	-174.6	-71	170.4	-175.3	-117.2	11.8	112.7	D153 A177 R181	D153-R155 WeakPolarHBondContact O-CG 3.47Å; D153-R155 PolarHBondContact O-N 2.92Å; D153-R155 VanDerWaalsContact O-N 3.16Å; D153-R155 PolarHBondContact OD1-N 3.49Å; R155-A177 WeakPolarHBondContact O-CB 3.5Å; R155-R181 VanDerWaalsContact CZ-NH1 3.34Å
156	S	97.9	Very high	98.3	Very high	40 Å²	40	54 Å²	54	28%	0.28	29%	0.294	S	S	.	.			trans	-113	163.9	-176.5	64	0	0	0	0	112	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.36Å; N151-S156 WeakPolarHBondContact CB-OG 3.24Å; N151-S156 PolarHBondContact N-O 2.93Å; N151-S156 PolarHBondContact ND2-OG 3.48Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.46Å; D153-S156 PolarHBondContact OD1-OG 3.31Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.49Å; D153-S156 PolarHBondContact OD2-OG 3.46Å
157	W	98.7	Very high	98.3	Very high	12 Å²	12	49.2 Å²	49.2	5%	0.045	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	146.2	-177.2	-61.1	89.4	0	0	0	110.9	I148 A149 L150 Q168 L171 V176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.29Å; I148-W157 HydrophobicContact CD1-CD2 4.47Å; I148-W157 HydrophobicContact CD1-CE3 4.17Å; I148-W157 HydrophobicContact CG1-CB 4.37Å; I148-W157 HydrophobicContact CG1-CE3 4.01Å; A149-W157 CarbonylContact O-C 3.56Å; A149-W157 WeakPolarHBondContact O-CA 3.5Å; L150-W157 HydrophobicContact CB-CE3 4.14Å; L150-W157 HydrophobicContact CB-CH2 4.29Å; L150-W157 HydrophobicContact CB-CZ3 3.91Å; L150-W157 HydrophobicContact CD1-CD2 4.23Å; L150-W157 HydrophobicContact CD1-CE3 4.43Å; L150-W157 HydrophobicContact CD1-CH2 4.26Å; L150-W157 HydrophobicContact CD1-CZ2 4.02Å; L150-W157 HydrophobicContact CD1-CZ3 4.46Å; W157-Q168 HydrophobicContact CB-CG 4.1Å; W157-Q168 PolarHBondContact O-NE2 3.07Å; W157-L171 HydrophobicContact CD2-CD1 4.07Å; W157-L171 HydrophobicContact CE3-CD1 4.05Å; W157-L171 HydrophobicContact CH2-CD1 3.85Å; W157-L171 HydrophobicContact CZ2-CB 4.21Å; W157-L171 HydrophobicContact CZ2-CD1 3.88Å; W157-L171 HydrophobicContact CZ3-CD1 3.94Å; W157-V176 HydrophobicContact CZ2-CB 4.37Å; W157-V176 HydrophobicContact CZ2-CG1 4.25Å; W157-A177 HydrophobicContact CZ2-CB 4.37Å; W157-L180 HydrophobicContact CH2-CD1 3.45Å; W157-L180 VanDerWaalsContact CH2-CD1 3.45Å; W157-L180 HydrophobicContact CZ2-CD1 3.87Å
158	T	98.7	Very high	98.2	Very high	80 Å²	80	50.7 Å²	50.7	49%	0.491	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.5	166.5	-65.4	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.49Å; I148-T158 WeakPolarHBondContact CG1-O 3.34Å; A149-T158 PolarHBondContact N-O 2.84Å; A149-T158 PolarHBondContact O-N 2.98Å; N151-T158 PolarHBondContact ND2-OG1 3.36Å; N151-T158 WeakPolarHBondContact OD1-CB 3.31Å; N151-T158 PolarHBondContact OD1-OG1 3.48Å
159	A	98.6	Very high	98.2	Very high	24 Å²	24	58 Å²	58	20%	0.198	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.9	176	0	0	0	0	0	110.4	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.72Å; A159-Q165 HydrophobicContact CB-CG 4Å; A159-Q168 HydrophobicContact CB-CB 4.44Å
160	A	98.4	Very high	98.2	Very high	60 Å²	60	61.9 Å²	61.9	50%	0.496	32%	0.316	S	S	.	.	S	Bend	trans	-75.1	-31.4	-176.2	0	0	0	0	0	113.4	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.45Å; Y147-A160 WeakPolarHBondContact O-CB 3.23Å; Y147-A160 PolarHBondContact O-N 3.1Å
161	D	98.2	Very high	98.1	Very high	54 Å²	54	63.2 Å²	63.2	29%	0.289	32%	0.323	S	S	.	.	S	Bend	trans	-151.3	-175.7	-177.8	66.4	30	0	0	0	112.9	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.46Å; Y109-D161 VanDerWaalsContact OH-CG 3.25Å; Y109-D161 PolarHBondContact OH-OD1 3.32Å; Y109-D161 PolarHBondContact OH-OD2 3.45Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.97Å; D161-A163 WeakPolarHBondContact OD1-CA 3.29Å; D161-A163 WeakPolarHBondContact OD1-CB 3.36Å; D161-A163 PolarHBondContact OD1-N 2.94Å; D161-A164 PolarHBondContact O-N 3.15Å; D161-A164 PolarHBondContact OD1-N 3.21Å; D161-Q165 WeakPolarHBondContact O-CG 3.22Å; D161-Q165 PolarHBondContact O-N 2.89Å
162	T	98.1	Very high	98.1	Very high	111 Å²	111	65.5 Å²	65.5	68%	0.681	33%	0.332	S	S	*	.	H	α-helix	trans	-65.2	-28.5	-179.5	51.3	0	0	0	0	113.8
163	A	97.9	Very high	98.2	Very high	4 Å²	4	63.2 Å²	63.2	3%	0.033	34%	0.337	C	S	.	.	H	α-helix	trans	-73.1	-42.5	175.3	0	0	0	0	0	110.2	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.12Å; Y109-A163 HydrophobicContact CD2-CB 4.37Å; Y109-A163 HydrophobicContact CE1-CB 3.6Å; Y109-A163 HydrophobicContact CE2-CB 3.87Å; Y109-A163 HydrophobicContact CG-CB 4.48Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; Y147-A163 PolarHBondContact OH-O 3.48Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.97Å; D161-A163 WeakPolarHBondContact OD1-CA 3.29Å; D161-A163 WeakPolarHBondContact OD1-CB 3.36Å; D161-A163 PolarHBondContact OD1-N 2.94Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.89Å; A163-I166 VanDerWaalsContact O-CB 3.28Å; A163-I166 WeakPolarHBondContact O-CB 3.47Å; A163-I166 PolarHBondContact O-N 3.33Å
164	A	98.3	Very high	98.2	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.4	-35.6	173.6	0	0	0	0	0	112.9	Y147 A159 D161 I166 S167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.82Å; Y147-A164 HydrophobicContact CE1-CB 4.49Å; Y147-A164 VanDerWaalsContact CE2-CA 3.48Å; Y147-A164 HydrophobicContact CE2-CB 3.67Å; Y147-A164 HydrophobicContact CG-CB 4.3Å; Y147-A164 WeakPolarHBondContact O-CB 3.3Å; A159-A164 HydrophobicContact CB-CB 3.72Å; D161-A164 PolarHBondContact O-N 3.15Å; D161-A164 PolarHBondContact OD1-N 3.21Å; A164-I166 PolarHBondContact O-N 3.33Å; A164-S167 WeakPolarHBondContact O-CA 3.17Å; A164-S167 WeakPolarHBondContact O-CB 3.2Å; A164-S167 PolarHBondContact O-N 2.94Å; A164-Q168 PolarHBondContact O-N 3.48Å
165	Q	98.6	Very high	98.2	Very high	76 Å²	76	69.5 Å²	69.5	36%	0.355	37%	0.366	S	S	.	.	H	α-helix	trans	-59.9	-29.5	173.9	-72.6	173.7	8.8	0	0	113.1	A159 D161 A163 S167 Q168 R169	A159-Q165 HydrophobicContact CB-CG 4Å; D161-Q165 WeakPolarHBondContact O-CG 3.22Å; D161-Q165 PolarHBondContact O-N 2.89Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 2.89Å; Q165-S167 VanDerWaalsContact C-N 3.33Å; Q165-Q168 PolarHBondContact O-N 3.15Å; Q165-R169 WeakPolarHBondContact O-CG 3.32Å; Q165-R169 PolarHBondContact O-N 3.45Å; Q165-R169 VanDerWaalsContact O-N 3.13Å
166	I	98.3	Very high	98.2	Very high	60 Å²	60	63.1 Å²	63.1	31%	0.308	35%	0.346	S	S	.	.	H	α-helix	trans	-64.7	-43.1	173.7	-58.2	170.2	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.15Å; Y108-I166 HydrophobicContact CE1-CG2 4.18Å; Y108-I166 HydrophobicContact CE2-CB 4.38Å; Y108-I166 HydrophobicContact CE2-CG2 4.09Å; Y108-I166 HydrophobicContact CG-CD1 4.15Å; A163-I166 VanDerWaalsContact O-CB 3.28Å; A163-I166 WeakPolarHBondContact O-CB 3.47Å; A163-I166 PolarHBondContact O-N 3.33Å; A164-I166 PolarHBondContact O-N 3.33Å; I166-K170 WeakPolarHBondContact O-CG 3.04Å; I166-K170 PolarHBondContact O-N 3.44Å
167	S	97.8	Very high	98.2	Very high	23 Å²	23	61.7 Å²	61.7	16%	0.161	34%	0.336	C	S	.	.	H	α-helix	trans	-69.6	-41.6	177	-65.2	0	0	0	0	111.6	Y147 A164 Q165 R169 K170 L171	Y147-S167 WeakPolarHBondContact OH-CB 3.49Å; Y147-S167 PolarHBondContact OH-OG 2.7Å; A164-S167 WeakPolarHBondContact O-CA 3.17Å; A164-S167 WeakPolarHBondContact O-CB 3.2Å; A164-S167 PolarHBondContact O-N 2.94Å; Q165-S167 VanDerWaalsContact C-N 3.33Å; S167-R169 PolarHBondContact O-N 2.99Å; S167-K170 WeakPolarHBondContact O-CB 3.17Å; S167-K170 PolarHBondContact O-N 3.46Å; S167-K170 VanDerWaalsContact O-N 3.08Å; S167-L171 VanDerWaalsContact O-CG 3.31Å; S167-L171 WeakPolarHBondContact O-CG 3.38Å; S167-L171 PolarHBondContact O-N 3.08Å
168	Q	98.6	Very high	98.2	Very high	41 Å²	41	66.6 Å²	66.6	19%	0.192	36%	0.359	C	S	.	.	H	α-helix	trans	-51.1	-52.8	174.9	178.1	173.7	9.2	0	0	111.8	I148 W157 A159 A164 Q165 K170 L171 E172	I148-Q168 HydrophobicContact CD1-CB 3.79Å; W157-Q168 HydrophobicContact CB-CG 4.1Å; W157-Q168 PolarHBondContact O-NE2 3.07Å; A159-Q168 HydrophobicContact CB-CB 4.44Å; A164-Q168 PolarHBondContact O-N 3.48Å; Q165-Q168 PolarHBondContact O-N 3.15Å; Q168-K170 VanDerWaalsContact C-N 3.26Å; Q168-K170 PolarHBondContact O-N 3.02Å; Q168-L171 PolarHBondContact O-N 3.43Å; Q168-L171 VanDerWaalsContact O-N 3.12Å; Q168-E172 HydrophobicContact CG-CG 4.33Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.33Å; Q168-E172 PolarHBondContact NE2-OE1 3.41Å; Q168-E172 WeakPolarHBondContact O-CB 3.07Å; Q168-E172 WeakPolarHBondContact O-CG 3.31Å; Q168-E172 PolarHBondContact O-N 3.25Å
169	R	98.5	Very high	98.1	Very high	158 Å²	158	69.2 Å²	69.2	60%	0.596	37%	0.366	S	S	*	.	H	α-helix	trans	-58.2	-37.6	179.4	-68.4	171.6	-166.5	148.8	7.7	112.6	Q165 S167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.32Å; Q165-R169 PolarHBondContact O-N 3.45Å; Q165-R169 VanDerWaalsContact O-N 3.13Å; S167-R169 PolarHBondContact O-N 2.99Å; R169-A173 VanDerWaalsContact O-CB 3.25Å; R169-A173 WeakPolarHBondContact O-CB 3.31Å; R169-A173 PolarHBondContact O-N 3.31Å
170	K	97.7	Very high	98.1	Very high	113 Å²	113	69 Å²	69	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-68.7	-44	176.7	-69.9	178.8	176	-172.5	0	111.9	Y108 I166 S167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.36Å; I166-K170 WeakPolarHBondContact O-CG 3.04Å; I166-K170 PolarHBondContact O-N 3.44Å; S167-K170 WeakPolarHBondContact O-CB 3.17Å; S167-K170 PolarHBondContact O-N 3.46Å; S167-K170 VanDerWaalsContact O-N 3.08Å; Q168-K170 VanDerWaalsContact C-N 3.26Å; Q168-K170 PolarHBondContact O-N 3.02Å; K170-A173 PolarHBondContact O-N 3.33Å; K170-A174 WeakPolarHBondContact O-CB 3.36Å; K170-A174 PolarHBondContact O-N 2.04Å
171	L	97.8	Very high	98.1	Very high	40 Å²	40	69.5 Å²	69.5	21%	0.209	35%	0.351	C	S	.	.	H	α-helix	trans	-64.9	-40.4	178.5	-65.3	175.4	0	0	0	111.5	I148 W157 S167 Q168 A174 R175 V176	I148-L171 HydrophobicContact CD1-CD1 3.87Å; W157-L171 HydrophobicContact CD2-CD1 4.07Å; W157-L171 HydrophobicContact CE3-CD1 4.05Å; W157-L171 HydrophobicContact CH2-CD1 3.85Å; W157-L171 HydrophobicContact CZ2-CB 4.21Å; W157-L171 HydrophobicContact CZ2-CD1 3.88Å; W157-L171 HydrophobicContact CZ3-CD1 3.94Å; S167-L171 VanDerWaalsContact O-CG 3.31Å; S167-L171 WeakPolarHBondContact O-CG 3.38Å; S167-L171 PolarHBondContact O-N 3.08Å; Q168-L171 PolarHBondContact O-N 3.43Å; Q168-L171 VanDerWaalsContact O-N 3.12Å; L171-A174 CarbonylContact O-C 3.59Å; L171-A174 PolarHBondContact O-N 3.48Å; L171-R175 PolarHBondContact O-N 2.85Å; L171-V176 HydrophobicContact CB-CB 4.25Å; L171-V176 HydrophobicContact CB-CG2 4.37Å; L171-V176 HydrophobicContact CD2-CB 3.91Å; L171-V176 HydrophobicContact CD2-CG1 3.99Å; L171-V176 HydrophobicContact CD2-CG2 3.71Å; L171-V176 PolarHBondContact O-N 2.86Å
172	E	98.3	Very high	98.1	Very high	92 Å²	92	70 Å²	70	43%	0.43	36%	0.362	S	S	.	.	H	α-helix	trans	-65.7	-48.1	175.5	-72.7	169.9	175.1	0	0	111.5	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.33Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.33Å; Q168-E172 PolarHBondContact NE2-OE1 3.41Å; Q168-E172 WeakPolarHBondContact O-CB 3.07Å; Q168-E172 WeakPolarHBondContact O-CG 3.31Å; Q168-E172 PolarHBondContact O-N 3.25Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 2.84Å; E172-R175 PolarHBondContact O-N 3.36Å
173	A	98.3	Very high	98.1	Very high	88 Å²	88	67.2 Å²	67.2	73%	0.727	34%	0.34	S	S	*	.	H	α-helix	trans	-60	-36.3	177.3	0	0	0	0	0	112.5	R169 K170 R175	R169-A173 VanDerWaalsContact O-CB 3.25Å; R169-A173 WeakPolarHBondContact O-CB 3.31Å; R169-A173 PolarHBondContact O-N 3.31Å; K170-A173 PolarHBondContact O-N 3.33Å; A173-R175 VanDerWaalsContact C-N 3.34Å
174	A	97.8	Very high	98.2	Very high	58 Å²	58	67.1 Å²	67.1	48%	0.479	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	2.7	176.5	0	0	0	0	0	114	K170 L171 E172 V176	K170-A174 WeakPolarHBondContact O-CB 3.36Å; K170-A174 PolarHBondContact O-N 2.04Å; L171-A174 CarbonylContact O-C 3.59Å; L171-A174 PolarHBondContact O-N 3.48Å; E172-A174 VanDerWaalsContact C-N 3.25Å; E172-A174 PolarHBondContact O-N 2.84Å; A174-V176 HydrophobicContact CB-CG2 3.93Å; A174-V176 PolarHBondContact O-N 2.92Å
175	R	97.8	Very high	98.1	Very high	161 Å²	161	71.5 Å²	71.5	61%	0.608	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	37.7	-178.9	-58	-176.5	175.5	-156.5	2.8	114.2	L171 E172 A173 A177 E178	L171-R175 PolarHBondContact O-N 2.85Å; E172-R175 PolarHBondContact O-N 3.36Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 3.43Å; R175-E178 HydrophobicContact CB-CG 4.35Å; R175-E178 IonicContact NH1-OE1 3.68Å; R175-E178 IonicContact NH1-OE2 2.73Å; R175-E178 WeakPolarHBondContact O-CB 3.44Å; R175-E178 PolarHBondContact O-N 3.23Å; R175-E178 VanDerWaalsContact O-N 3.08Å
176	V	98.1	Very high	98.1	Very high	31 Å²	31	68.9 Å²	68.9	19%	0.188	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-30.4	-175.6	178	0	0	0	0	112.2	W157 L171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CZ2-CB 4.37Å; W157-V176 HydrophobicContact CZ2-CG1 4.25Å; L171-V176 HydrophobicContact CB-CB 4.25Å; L171-V176 HydrophobicContact CB-CG2 4.37Å; L171-V176 HydrophobicContact CD2-CB 3.91Å; L171-V176 HydrophobicContact CD2-CG1 3.99Å; L171-V176 HydrophobicContact CD2-CG2 3.71Å; L171-V176 PolarHBondContact O-N 2.86Å; A174-V176 HydrophobicContact CB-CG2 3.93Å; A174-V176 PolarHBondContact O-N 2.92Å; V176-E178 VanDerWaalsContact C-N 3.28Å; V176-E178 PolarHBondContact O-N 2.8Å; V176-Q179 PolarHBondContact O-N 3.14Å; V176-L180 HydrophobicContact CG1-CD1 3.9Å; V176-L180 HydrophobicContact CG1-CG 4.14Å; V176-L180 WeakPolarHBondContact O-CG 3.48Å; V176-L180 PolarHBondContact O-N 2.79Å
177	A	98.3	Very high	98.1	Very high	9 Å²	9	70.7 Å²	70.7	7%	0.074	36%	0.36	C	S	.	.	H	α-helix	trans	-59.7	-37.3	175.9	0	0	0	0	0	112.5	L150 R155 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.94Å; R155-A177 WeakPolarHBondContact O-CB 3.5Å; W157-A177 HydrophobicContact CZ2-CB 4.37Å; R175-A177 PolarHBondContact O-N 3.43Å; A177-Q179 PolarHBondContact O-N 3.48Å; A177-L180 PolarHBondContact O-N 2.97Å; A177-R181 WeakPolarHBondContact O-CB 3.37Å; A177-R181 PolarHBondContact O-N 3.31Å
178	E	98.1	Very high	98.1	Very high	116 Å²	116	69.6 Å²	69.6	54%	0.542	35%	0.352	S	S	.	.	H	α-helix	trans	-64.5	-41.6	178.4	-64.1	176.5	-169.6	0	0	111.4	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.35Å; R175-E178 IonicContact NH1-OE1 3.68Å; R175-E178 IonicContact NH1-OE2 2.73Å; R175-E178 WeakPolarHBondContact O-CB 3.44Å; R175-E178 PolarHBondContact O-N 3.23Å; R175-E178 VanDerWaalsContact O-N 3.08Å; V176-E178 VanDerWaalsContact C-N 3.28Å; V176-E178 PolarHBondContact O-N 2.8Å; E178-A182 WeakPolarHBondContact O-CB 3.47Å; E178-A182 PolarHBondContact O-N 2.6Å
179	Q	97.6	Very high	98.1	Very high	135 Å²	135	68 Å²	68	63%	0.631	35%	0.345	S	S	*	.	H	α-helix	trans	-67.2	-45.2	177.5	-61.9	177.5	7.5	0	0	111.7	V176 A177 R181 A182 Y183	V176-Q179 PolarHBondContact O-N 3.14Å; A177-Q179 PolarHBondContact O-N 3.48Å; Q179-R181 VanDerWaalsContact C-N 3.34Å; Q179-A182 PolarHBondContact O-N 3Å; Q179-Y183 PolarHBondContact O-N 3.01Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å
180	L	98.1	Very high	98.1	Very high	20 Å²	20	66.6 Å²	66.6	11%	0.105	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-41.4	177.5	-72.2	172.9	0	0	0	111.3	N138 L150 W157 V176 A177 Y183 L184	N138-L180 HydrophobicContact CB-CD1 4.28Å; L150-L180 HydrophobicContact CD2-CB 4.21Å; L150-L180 HydrophobicContact CD2-CD1 4.37Å; W157-L180 HydrophobicContact CH2-CD1 3.45Å; W157-L180 VanDerWaalsContact CH2-CD1 3.45Å; W157-L180 HydrophobicContact CZ2-CD1 3.87Å; V176-L180 HydrophobicContact CG1-CD1 3.9Å; V176-L180 HydrophobicContact CG1-CG 4.14Å; V176-L180 WeakPolarHBondContact O-CG 3.48Å; V176-L180 PolarHBondContact O-N 2.79Å; A177-L180 PolarHBondContact O-N 2.97Å; L180-Y183 PolarHBondContact O-N 3.48Å; L180-L184 WeakPolarHBondContact O-CB 3.21Å; L180-L184 WeakPolarHBondContact O-CG 3.25Å; L180-L184 PolarHBondContact O-N 3.49Å
181	R	98.3	Very high	98.1	Very high	70 Å²	70	63.3 Å²	63.3	26%	0.264	33%	0.33	S	S	.	.	H	α-helix	trans	-61	-45.8	176	-176	172.6	-179.6	-134.6	-14.1	111.8	L154 R155 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.04Å; L154-R181 HydrophobicContact CB-CG 3.82Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; R155-R181 VanDerWaalsContact CZ-NH1 3.34Å; A177-R181 WeakPolarHBondContact O-CB 3.37Å; A177-R181 PolarHBondContact O-N 3.31Å; Q179-R181 VanDerWaalsContact C-N 3.34Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 2.99Å; R181-L184 PolarHBondContact O-N 3.04Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 IonicContact CZ-OE1 3.55Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 3.79Å; R181-E185 VanDerWaalsContact NE-CD 3.34Å; R181-E185 IonicContact NE-OE1 3.61Å; R181-E185 PolarHBondContact NE-OE1 3.3Å; R181-E185 IonicContact NE-OE2 2.71Å; R181-E185 PolarHBondContact NE-OE2 3Å; R181-E185 IonicContact NH2-OE1 2.75Å; R181-E185 PolarHBondContact NH2-OE1 2.88Å; R181-E185 IonicContact NH2-OE2 2.98Å; R181-E185 PolarHBondContact NH2-OE2 2.92Å; R181-E185 WeakPolarHBondContact O-CB 3.05Å; R181-E185 PolarHBondContact O-N 3.06Å
182	A	98.4	Very high	98.2	Very high	65 Å²	65	61.4 Å²	61.4	54%	0.537	32%	0.32	S	S	.	.	H	α-helix	trans	-59	-42.6	176.7	0	0	0	0	0	112.1	E178 Q179 G186	E178-A182 WeakPolarHBondContact O-CB 3.47Å; E178-A182 PolarHBondContact O-N 2.6Å; Q179-A182 PolarHBondContact O-N 3Å; A182-G186 PolarHBondContact O-N 2.86Å; A182-G186 VanDerWaalsContact O-N 3.07Å
183	Y	98.3	Very high	98.1	Very high	52 Å²	52	62.5 Å²	62.5	20%	0.204	32%	0.32	C	S	.	.	H	α-helix	trans	-64.9	-46.9	174.4	170.2	-96.8	0	0	0	112.5	Y123 Q179 L180 R181 G186 E187 C188	Y123-Y183 AromaticContact CD2-CE1 3.91Å; Y123-Y183 HydrophobicContact CD2-CE1 3.91Å; Y123-Y183 AromaticContact CE2-CE1 3.82Å; Y123-Y183 HydrophobicContact CE2-CE1 3.82Å; Q179-Y183 PolarHBondContact O-N 3.01Å; Q179-Y183 VanDerWaalsContact O-N 3.08Å; L180-Y183 PolarHBondContact O-N 3.48Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 2.99Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 2.9Å; Y183-E187 HydrophobicContact CD2-CB 3.82Å; Y183-E187 HydrophobicContact CE2-CB 4.05Å; Y183-E187 PolarHBondContact O-N 2.89Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.85Å; Y183-C188 WeakPolarHBondContact O-CB 3.46Å; Y183-C188 PolarHBondContact O-N 3.13Å
184	L	98.6	Very high	98.1	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-70.2	-37.5	-174.9	-70.7	170.3	0	0	0	112.7	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.14Å; L150-L184 HydrophobicContact CD2-CD1 4.04Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; L180-L184 WeakPolarHBondContact O-CB 3.21Å; L180-L184 WeakPolarHBondContact O-CG 3.25Å; L180-L184 PolarHBondContact O-N 3.49Å; R181-L184 PolarHBondContact O-N 3.04Å; L184-V189 WeakPolarHBondContact O-CG2 3.31Å
185	E	98.1	Very high	98.1	Very high	91 Å²	91	61.4 Å²	61.4	43%	0.425	29%	0.285	S	S	.	.	H	α-helix	trans	-80.2	-24	176.9	-69.2	-179.9	167	0	0	112.9	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.38Å; L133-E185 HydrophobicContact CD2-CG 3.65Å; L154-E185 HydrophobicContact CD1-CG 4.21Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 IonicContact CZ-OE1 3.55Å; R181-E185 VanDerWaalsContact CZ-OE1 3.27Å; R181-E185 IonicContact CZ-OE2 3.79Å; R181-E185 VanDerWaalsContact NE-CD 3.34Å; R181-E185 IonicContact NE-OE1 3.61Å; R181-E185 PolarHBondContact NE-OE1 3.3Å; R181-E185 IonicContact NE-OE2 2.71Å; R181-E185 PolarHBondContact NE-OE2 3Å; R181-E185 IonicContact NH2-OE1 2.75Å; R181-E185 PolarHBondContact NH2-OE1 2.88Å; R181-E185 IonicContact NH2-OE2 2.98Å; R181-E185 PolarHBondContact NH2-OE2 2.92Å; R181-E185 WeakPolarHBondContact O-CB 3.05Å; R181-E185 PolarHBondContact O-N 3.06Å
186	G	97.9	Very high	98	Very high	22 Å²	22	54.3 Å²	54.3	23%	0.227	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-96.3	-178.1	0	0	0	0	0	112.7	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.86Å; A182-G186 VanDerWaalsContact O-N 3.07Å; Y183-G186 CarbonylContact O-C 3.59Å; Y183-G186 PolarHBondContact O-N 2.9Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 2.85Å; G186-C188 VanDerWaalsContact O-N 3.15Å; G186-V189 PolarHBondContact O-N 3.01Å; G186-E190 PolarHBondContact O-N 3.31Å
187	E	97.9	Very high	97.9	Very high	98 Å²	98	58.7 Å²	58.7	46%	0.458	28%	0.277	S	S	.	.	H	α-helix	trans	-52	-41.6	-170	-70.9	-174.3	-126.7	0	0	113.7	Y183 V189 E190 W191	Y183-E187 HydrophobicContact CD2-CB 3.82Å; Y183-E187 HydrophobicContact CE2-CB 4.05Å; Y183-E187 PolarHBondContact O-N 2.89Å; E187-V189 VanDerWaalsContact C-N 3.35Å; E187-V189 PolarHBondContact O-N 3.41Å; E187-E190 PolarHBondContact O-N 3.24Å; E187-W191 WeakPolarHBondContact O-CB 3.37Å; E187-W191 PolarHBondContact O-N 3.08Å
188	C	98.6	Very high	97.7	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.2	-47.2	179.3	-172.4	0	0	0	0	111.5	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 WeakPolarHBondContact CE-O 3.43Å; M29-C188 VanDerWaalsContact CE-SG 3.55Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.49Å; C125-C188 PolarHBondContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.31Å; C125-C188 PolarHBondContact SG-O 3.39Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.12Å; Y183-C188 HydrophobicContact CD1-CB 4.29Å; Y183-C188 HydrophobicContact CE1-CB 3.85Å; Y183-C188 WeakPolarHBondContact O-CB 3.46Å; Y183-C188 PolarHBondContact O-N 3.13Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 2.85Å; G186-C188 VanDerWaalsContact O-N 3.15Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.45Å; C188-L192 PolarHBondContact O-N 2.87Å
189	V	98.5	Very high	97.6	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-67.7	-41.6	179.7	173.1	0	0	0	0	110.7	C125 V127 G131 L133 L184 G186 E187 L192 R193	C125-V189 HydrophobicContact CB-CG2 4.41Å; V127-V189 HydrophobicContact CG1-CB 4.41Å; V127-V189 HydrophobicContact CG1-CG1 3.99Å; V127-V189 HydrophobicContact CG1-CG2 3.98Å; G131-V189 WeakPolarHBondContact O-CG1 3.42Å; L133-V189 HydrophobicContact CB-CG2 4.03Å; L133-V189 HydrophobicContact CD1-CG2 3.88Å; L184-V189 WeakPolarHBondContact O-CG2 3.31Å; G186-V189 PolarHBondContact O-N 3.01Å; E187-V189 VanDerWaalsContact C-N 3.35Å; E187-V189 PolarHBondContact O-N 3.41Å; V189-L192 PolarHBondContact O-N 2.9Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.37Å; V189-R193 PolarHBondContact O-N 2.92Å
190	E	98.3	Very high	97.3	Very high	128 Å²	128	53.4 Å²	53.4	60%	0.598	25%	0.252	S	S	*	.	H	α-helix	trans	-62.6	-46.6	178.1	-69.7	179	173.3	0	0	112.1	G186 E187 R193 R194	G186-E190 PolarHBondContact O-N 3.31Å; E187-E190 PolarHBondContact O-N 3.24Å; E190-R193 PolarHBondContact O-N 3.5Å; E190-R194 PolarHBondContact O-N 2.86Å
191	W	98.3	Very high	96.9	Very high	44 Å²	44	59.2 Å²	59.2	17%	0.167	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-43.5	176.4	-81.2	112.6	0	0	0	112	M29 Y83 R86 E187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.44Å; Y83-W191 AromaticContact CD2-CH2 3.71Å; Y83-W191 HydrophobicContact CD2-CH2 3.71Å; Y83-W191 HydrophobicContact CD2-CZ2 4.27Å; Y83-W191 HydrophobicContact CD2-CZ3 4.07Å; Y83-W191 HydrophobicContact CE2-CH2 4.08Å; Y83-W191 HydrophobicContact CE2-CZ3 4.07Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.25Å; E187-W191 WeakPolarHBondContact O-CB 3.37Å; E187-W191 PolarHBondContact O-N 3.08Å; W191-R193 PolarHBondContact O-N 3.34Å; W191-R194 PolarHBondContact O-N 3.24Å; W191-Y195 HydrophobicContact CB-CE2 4.03Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.46Å; W191-Y195 HydrophobicContact CE3-CE1 3.46Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.46Å; W191-Y195 HydrophobicContact CE3-CE2 4.37Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.88Å; W191-Y195 HydrophobicContact CZ3-CE1 3.88Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.49Å; W191-Y195 PolarHBondContact O-N 3.39Å
192	L	98.4	Very high	96.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.6	-47	176.7	174.9	52.8	0	0	0	111.2	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.43Å; M29-L192 HydrophobicContact CB-CB 4.07Å; M29-L192 HydrophobicContact CB-CD1 4.02Å; M29-L192 HydrophobicContact CB-CD2 4.13Å; M29-L192 HydrophobicContact CB-CG 4.29Å; M29-L192 HydrophobicContact CE-CB 4.46Å; V52-L192 HydrophobicContact CG1-CD1 3.61Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V127-L192 HydrophobicContact CB-CD2 4.34Å; V127-L192 HydrophobicContact CG1-CD2 3.93Å; V127-L192 HydrophobicContact CG2-CD2 3.57Å; V127-L192 HydrophobicContact CG2-CG 4.21Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.45Å; C188-L192 PolarHBondContact O-N 2.87Å; V189-L192 PolarHBondContact O-N 2.9Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.49Å; L192-Y195 PolarHBondContact O-N 3.18Å; L192-L196 HydrophobicContact CD1-CD1 3.94Å; L192-L196 HydrophobicContact CD1-CD2 4.41Å; L192-L196 HydrophobicContact CD1-CG 3.92Å; L192-L196 HydrophobicContact CG-CD1 4.05Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3.12Å
193	R	97.1	Very high	96.1	Very high	116 Å²	116	58.5 Å²	58.5	44%	0.438	27%	0.27	S	S	.	.	H	α-helix	trans	-59.5	-43.5	176.2	-72	173.9	-175.5	177.9	1.8	112.3	G131 V189 E190 W191 Y195 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.26Å; G131-R193 PolarHBondContact O-NE 2.72Å; G131-R193 PolarHBondContact O-NH2 3.05Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.37Å; V189-R193 PolarHBondContact O-N 2.92Å; E190-R193 PolarHBondContact O-N 3.5Å; W191-R193 PolarHBondContact O-N 3.34Å; R193-Y195 VanDerWaalsContact C-N 3.33Å; R193-Y195 PolarHBondContact O-N 2.84Å; R193-L196 PolarHBondContact O-N 3.1Å; R193-E197 PolarHBondContact O-N 2.6Å
194	R	97.3	Very high	95.5	Very high	121 Å²	121	60.4 Å²	60.4	46%	0.457	28%	0.281	S	S	.	.	H	α-helix	trans	-60.9	-42.8	175.8	177.3	178.2	173.9	124.6	-4.6	111.5	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.94Å; E79-R194 IonicContact OE1-NE 3.16Å; E79-R194 PolarHBondContact OE1-NE 2.93Å; E79-R194 IonicContact OE1-NH2 3.35Å; E79-R194 PolarHBondContact OE1-NH2 2.91Å; E79-R194 IonicContact OE2-CZ 3.06Å; E79-R194 IonicContact OE2-NE 2.82Å; E79-R194 IonicContact OE2-NH2 2.72Å; E79-R194 PolarHBondContact OE2-NH2 2.84Å; E190-R194 PolarHBondContact O-N 2.86Å; W191-R194 PolarHBondContact O-N 3.24Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.49Å; R194-E197 PolarHBondContact O-N 2.85Å; R194-N198 VanDerWaalsContact O-CB 3.24Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 2.65Å; R194-N198 PolarHBondContact O-ND2 2.99Å; R194-N198 PolarHBondContact O-OD1 2.84Å
195	Y	97.4	Very high	95.2	Very high	1 Å²	1	66.9 Å²	66.9	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-68.4	-38.7	179.3	-62.3	-24.5	0	0	0	112.8	M29 V52 F57 W75 I76 Y83 W191 L192 R193 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.73Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å; V52-Y195 HydrophobicContact CG2-CD2 3.99Å; F57-Y195 HydrophobicContact CE2-CD2 4.2Å; F57-Y195 AromaticContact CE2-CE2 3.64Å; F57-Y195 HydrophobicContact CE2-CE2 3.64Å; F57-Y195 HydrophobicContact CZ-CD2 4.24Å; F57-Y195 AromaticContact CZ-CE2 3.77Å; F57-Y195 HydrophobicContact CZ-CE2 3.77Å; W75-Y195 HydrophobicContact CE3-CD1 4.45Å; W75-Y195 HydrophobicContact CH2-CD2 4.47Å; W75-Y195 HydrophobicContact CH2-CG 4.16Å; W75-Y195 AromaticContact CZ3-CD1 3.77Å; W75-Y195 HydrophobicContact CZ3-CD1 3.77Å; W75-Y195 HydrophobicContact CZ3-CD2 4.26Å; W75-Y195 AromaticContact CZ3-CG 3.61Å; W75-Y195 HydrophobicContact CZ3-CG 3.61Å; I76-Y195 HydrophobicContact CD1-CD1 3.75Å; I76-Y195 HydrophobicContact CD1-CE1 3.24Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.26Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.24Å; Y83-Y195 PolarHBondContact OH-OH 3.49Å; W191-Y195 HydrophobicContact CB-CE2 4.03Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.46Å; W191-Y195 HydrophobicContact CE3-CE1 3.46Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.46Å; W191-Y195 HydrophobicContact CE3-CE2 4.37Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.88Å; W191-Y195 HydrophobicContact CZ3-CE1 3.88Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.49Å; W191-Y195 PolarHBondContact O-N 3.39Å; L192-Y195 PolarHBondContact O-N 3.18Å; R193-Y195 VanDerWaalsContact C-N 3.33Å; R193-Y195 PolarHBondContact O-N 2.84Å; Y195-N198 PolarHBondContact O-N 2.82Å; Y195-G199 PolarHBondContact O-N 2.88Å; Y195-L203 WeakPolarHBondContact O-CD1 3.28Å
196	L	96.2	Very high	95	Very high	13 Å²	13	63.9 Å²	63.9	7%	0.068	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-45.7	173.2	-69.4	169.1	0	0	0	111.2	H27 V52 L192 R193 G199 K200 L203	H27-L196 HydrophobicContact CB-CD1 3.72Å; H27-L196 HydrophobicContact CB-CD2 4.03Å; H27-L196 HydrophobicContact CB-CG 4.46Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.31Å; V52-L196 HydrophobicContact CG1-CD2 4.04Å; L192-L196 HydrophobicContact CD1-CD1 3.94Å; L192-L196 HydrophobicContact CD1-CD2 4.41Å; L192-L196 HydrophobicContact CD1-CG 3.92Å; L192-L196 HydrophobicContact CG-CD1 4.05Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 VanDerWaalsContact O-CG 3.31Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3.12Å; R193-L196 PolarHBondContact O-N 3.1Å; L196-G199 CarbonylContact O-C 3.55Å; L196-G199 PolarHBondContact O-N 3.32Å; L196-K200 WeakPolarHBondContact O-CA 3.45Å; L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 PolarHBondContact O-N 3.02Å; L196-L203 HydrophobicContact CD2-CB 4.05Å; L196-L203 HydrophobicContact CD2-CD1 4.29Å
197	E	95.7	Very high	94.9	Very high	122 Å²	122	64.3 Å²	64.3	57%	0.57	29%	0.293	S	S	*	.	H	α-helix	trans	-64.1	-46.3	176.7	-173.1	61.1	-151.7	0	0	111.8	R193 R194 G199 K200	R193-E197 PolarHBondContact O-N 2.6Å; R194-E197 PolarHBondContact O-N 2.85Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.4Å; E197-K200 WeakPolarHBondContact O-CB 3.41Å; E197-K200 PolarHBondContact O-N 3.38Å
198	N	95.8	Very high	94.8	Very high	51 Å²	51	62.6 Å²	62.6	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-36.6	178.4	-73.4	-7.8	0	0	0	113	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 3.23Å; Q78-N198 PolarHBondContact NE2-OD1 3.44Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.11Å; E79-N198 PolarHBondContact OE1-ND2 3.02Å; R194-N198 VanDerWaalsContact O-CB 3.24Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 2.65Å; R194-N198 PolarHBondContact O-ND2 2.99Å; R194-N198 PolarHBondContact O-OD1 2.84Å; Y195-N198 PolarHBondContact O-N 2.82Å
199	G	94.6	Very high	94.8	Very high	4 Å²	4	63 Å²	63	4%	0.041	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	13.4	-174.3	0	0	0	0	0	114.1	Y195 L196 E197 D201 K202 L203	Y195-G199 PolarHBondContact O-N 2.88Å; L196-G199 CarbonylContact O-C 3.55Å; L196-G199 PolarHBondContact O-N 3.32Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 3.4Å; G199-D201 VanDerWaalsContact C-N 3.35Å; G199-D201 PolarHBondContact O-N 3.19Å; G199-K202 CarbonylContact O-C 3.51Å; G199-K202 WeakPolarHBondContact O-CA 3.48Å; G199-K202 PolarHBondContact O-N 3.15Å; G199-L203 PolarHBondContact O-N 3.05Å
200	K	92.3	Very high	94.8	Very high	95 Å²	95	70.2 Å²	70.2	41%	0.413	32%	0.324	S	S	.	.	H	α-helix	trans	-48.5	-48.7	-166.5	-175.3	169.2	-170.5	161.2	0	114.7	L196 E197 K202 E204	L196-K200 WeakPolarHBondContact O-CA 3.45Å; L196-K200 WeakPolarHBondContact O-CB 3.48Å; L196-K200 PolarHBondContact O-N 3.02Å; E197-K200 WeakPolarHBondContact O-CB 3.41Å; E197-K200 PolarHBondContact O-N 3.38Å; K200-K202 PolarHBondContact O-N 3.35Å; K200-E204 VanDerWaalsContact CE-OE2 3.22Å; K200-E204 WeakPolarHBondContact CE-OE2 3.45Å; K200-E204 HydrophobicContact CG-CG 4.34Å; K200-E204 WeakPolarHBondContact CG-OE2 3.47Å; K200-E204 PolarHBondContact O-N 3.17Å
201	D	90.1	Very high	94.8	Very high	141 Å²	141	65.8 Å²	65.8	75%	0.754	31%	0.306	S	S	*	.	H	α-helix	trans	-57.5	-23.8	-179.8	-68.5	-16	0	0	0	113.7	G199	G199-D201 VanDerWaalsContact C-N 3.35Å; G199-D201 PolarHBondContact O-N 3.19Å
202	K	89.1	Confident	94.8	Very high	116 Å²	116	67.5 Å²	67.5	50%	0.504	32%	0.316	S	S	.	.	H	α-helix	trans	-102.6	-66.5	175.3	-64.7	-64.9	178.5	-179.8	0	110	G199 K200 E204 R205 R263	G199-K202 CarbonylContact O-C 3.51Å; G199-K202 WeakPolarHBondContact O-CA 3.48Å; G199-K202 PolarHBondContact O-N 3.15Å; K200-K202 PolarHBondContact O-N 3.35Å; K202-E204 PolarHBondContact O-N 2.87Å; K202-R205 WeakPolarHBondContact O-CB 3.38Å; K202-R205 PolarHBondContact O-N 3.35Å; K202-R263 VanDerWaalsContact O-CZ 3.26Å; K202-R263 PolarHBondContact O-NH1 3.02Å; K202-R263 VanDerWaalsContact O-NH1 3.14Å; K202-R263 PolarHBondContact O-NH2 3.01Å
203	L	88.9	Confident	94.7	Very high	5 Å²	5	68.5 Å²	68.5	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-60.4	-38.7	-165.3	-64.6	172.9	0	0	0	113.8	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.32Å; V52-L203 HydrophobicContact CB-CD2 4.23Å; V52-L203 HydrophobicContact CG1-CD1 3.92Å; V52-L203 HydrophobicContact CG1-CD2 4.12Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.39Å; W75-L203 HydrophobicContact CZ2-CD1 3.87Å; W75-L203 HydrophobicContact CZ2-CD2 4.22Å; W75-L203 HydrophobicContact CZ2-CG 4.48Å; Y195-L203 WeakPolarHBondContact O-CD1 3.28Å; L196-L203 HydrophobicContact CD2-CB 4.05Å; L196-L203 HydrophobicContact CD2-CD1 4.29Å; G199-L203 PolarHBondContact O-N 3.05Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 3.48Å
204	E	86.9	Confident	94.7	Very high	92 Å²	92	64.6 Å²	64.6	43%	0.43	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-1.5	178.4	-62.4	-174.6	-176.7	0	0	113.2	K200 K202	K200-E204 VanDerWaalsContact CE-OE2 3.22Å; K200-E204 WeakPolarHBondContact CE-OE2 3.45Å; K200-E204 HydrophobicContact CG-CG 4.34Å; K200-E204 WeakPolarHBondContact CG-OE2 3.47Å; K200-E204 PolarHBondContact O-N 3.17Å; K202-E204 PolarHBondContact O-N 2.87Å
205	R	91	Very high	94.7	Very high	137 Å²	137	61.7 Å²	61.7	52%	0.517	30%	0.303	S	S	.	.			trans	-94.2	113.2	179.9	178.8	-179.8	160.8	164.4	0.1	110.6	K202 L203 D207 Y233	K202-R205 WeakPolarHBondContact O-CB 3.38Å; K202-R205 PolarHBondContact O-N 3.35Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 3.48Å; R205-D207 IonicContact CZ-OD1 3.71Å; R205-D207 VanDerWaalsContact CZ-OD1 3.22Å; R205-D207 IonicContact NE-OD1 3.66Å; R205-D207 PolarHBondContact NE-OD1 3.42Å; R205-D207 IonicContact NH2-OD1 3.21Å; R205-D207 PolarHBondContact NH2-OD1 3.43Å; R205-Y233 WeakPolarHBondContact O-CD1 3.43Å
206	A	94.1	Very high	94.5	Very high	29 Å²	29	65.8 Å²	65.8	24%	0.24	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-80.8	129.2	163.9	0	0	0	0	0	110.8	Y233 E288	A206-Y233 CarbonylContact C-O 3.52Å; A206-Y233 VanDerWaalsContact CA-O 3.23Å; A206-Y233 WeakPolarHBondContact CA-O 3.32Å; A206-E288 HydrophobicContact CB-CG 4.37Å
207	D	95.8	Very high	94.3	Very high	30 Å²	30	69 Å²	69	16%	0.16	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-102.2	118.5	172.8	-72.5	-47.1	0	0	0	108.5	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 3.71Å; R205-D207 VanDerWaalsContact CZ-OD1 3.22Å; R205-D207 IonicContact NE-OD1 3.66Å; R205-D207 PolarHBondContact NE-OD1 3.42Å; R205-D207 IonicContact NH2-OD1 3.21Å; R205-D207 PolarHBondContact NH2-OD1 3.43Å; D207-F232 CarbonylContact O-C 3.55Å; D207-F232 WeakPolarHBondContact O-CA 3.48Å; D207-F232 WeakPolarHBondContact O-CB 3.43Å; D207-Y233 PolarHBondContact N-O 3.02Å; D207-Y233 PolarHBondContact O-N 2.92Å; D207-H287 PolarHBondContact O-CE1 3.25Å; D207-H287 VanDerWaalsContact O-CE1 3.27Å
208	P	97.4	Very high	94.1	Very high	63 Å²	63	67.8 Å²	67.8	41%	0.409	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-69.5	150.1	-177.7	24.9	-32.3	0	0	0	112.5	G289 L290	P208-G289 WeakPolarHBondContact CB-O 3.34Å; P208-L290 HydrophobicContact CB-CD2 3.87Å; P208-L290 HydrophobicContact CB-CG 4.41Å
209	P	98.2	Very high	93.9	Very high	9 Å²	9	68 Å²	68	6%	0.058	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-67.7	136.5	178.3	28.2	-35	0	0	0	112.2	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.11Å; P209-T211 PolarHBondContact O-N 3.21Å; P209-A229 HydrophobicContact CB-CB 3.86Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.14Å; P209-I237 HydrophobicContact CB-CD1 4.07Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; P209-V285 HydrophobicContact CG-CG1 3.93Å; P209-H287 HydrophobicContact CG-CB 4.11Å; P209-L290 HydrophobicContact CG-CD1 3.9Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.23Å
210	K	98.3	Very high	93.6	Very high	157 Å²	157	74.8 Å²	74.8	68%	0.683	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	110.8	162.6	-64.2	173.8	-174.6	170.2	0	108.2	L230	K210-L230 PolarHBondContact N-O 3.41Å; K210-L230 PolarHBondContact O-N 3Å
211	T	98.1	Very high	93.6	Very high	35 Å²	35	77.3 Å²	77.3	22%	0.215	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	140.3	-172	54.1	0	0	0	0	112.7	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.97Å; P209-T211 HydrophobicContact CG-CG2 4.11Å; P209-T211 PolarHBondContact O-N 3.21Å; T211-W228 WeakPolarHBondContact CA-O 3.49Å; T211-A229 HydrophobicContact CG2-CB 4.36Å; T211-V285 HydrophobicContact CG2-CB 4.36Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 4Å; T211-L294 HydrophobicContact CG2-CD1 4.27Å; T211-L296 HydrophobicContact CG2-CD1 4.42Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.21Å
212	H	97.3	Very high	93.9	Very high	81 Å²	81	75 Å²	75	38%	0.375	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	161.6	171	63.6	-76.6	0	0	0	110.6	W228	H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.24Å; H212-W228 AromaticContact CE1-CD1 3.98Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 3.41Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.03Å
213	V	98.1	Very high	94.2	Very high	21 Å²	21	69.5 Å²	69.5	13%	0.127	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.5	177.1	-179.6	0	0	0	0	109.4	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.35Å; V213-L225 HydrophobicContact CG1-CD2 4.48Å; V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.26Å; V213-C227 HydrophobicContact CG2-CB 4.46Å; V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; V213-L296 HydrophobicContact CG2-CB 3.82Å; V213-W298 HydrophobicContact CG1-CB 3.85Å
214	T	96.7	Very high	94.6	Very high	34 Å²	34	70.2 Å²	70.2	21%	0.209	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	150	171.6	68.8	0	0	0	0	110.7	H216 L225 R226	T214-H216 PolarHBondContact OG1-NE2 3.37Å; T214-L225 WeakPolarHBondContact O-CA 3.34Å; T214-R226 PolarHBondContact N-O 3.19Å; T214-R226 PolarHBondContact O-N 2.88Å
215	H	96	Very high	95.1	Very high	60 Å²	60	65.9 Å²	65.9	28%	0.278	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.3	177.8	167.4	-79.9	0	0	0	109.5	A223 T224 L225 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.45Å; H215-T224 WeakPolarHBondContact CA-O 3.31Å; H215-L225 HydrophobicContact CB-CD2 4.05Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 VanDerWaalsContact CB-CE2 3.49Å; H215-W298 HydrophobicContact CB-CG 4.18Å; H215-W298 HydrophobicContact CB-CZ2 3.94Å; H215-W298 AromaticContact CD2-CZ2 3.95Å; H215-W298 AromaticContact CG-CE2 3.81Å; H215-W298 AromaticContact CG-CZ2 3.78Å
216	H	94	Very high	95.4	Very high	87 Å²	87	61.8 Å²	61.8	40%	0.403	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	112.6	176.9	-58.6	-79.3	0	0	0	109.4	T214 I218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 3.37Å; H216-I218 PolarHBondContact O-N 3.39Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.49Å; H216-T224 PolarHBondContact N-O 2.83Å; H216-T224 PolarHBondContact O-N 2.89Å; H216-R226 PolarHBondContact CD2-NH1 3.43Å; H216-R226 PolarHBondContact NE2-NH1 3.49Å
217	A	92.8	Very high	95.6	Very high	80 Å²	80	60.4 Å²	60.4	66%	0.661	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	129.6	174.4	0	0	0	0	0	109.9
218	I	90.4	Very high	95.8	Very high	97 Å²	97	61.2 Å²	61.2	50%	0.497	32%	0.319	S	S	.	.			trans	-95.9	-44.6	173.9	-61.1	163.3	0	0	0	109.2	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 3.39Å; I218-E222 PolarHBondContact N-O 2.87Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.44Å; I218-V272 HydrophobicContact CD1-CG1 4.04Å; I218-V272 HydrophobicContact CD1-CG2 4.08Å
219	S	91.6	Very high	95.8	Very high	54 Å²	54	58.2 Å²	58.2	38%	0.378	30%	0.3	S	S	.	.	S	Bend	trans	-147.6	-178.5	177.8	72	0	0	0	0	110.2	H221 E222	S219-H221 PolarHBondContact O-N 3.2Å; S219-H221 PolarHBondContact OG-N 2.9Å; S219-E222 PolarHBondContact N-O 2.95Å; S219-E222 VanDerWaalsContact N-O 3.07Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.08Å
220	D	88.8	Confident	95.8	Very high	148 Å²	148	60.3 Å²	60.3	79%	0.791	31%	0.31	S	S	*	.	S	Bend	trans	-63	-19.7	172.8	-65.3	-22.9	0	0	0	112.5	S275	D220-S275 WeakPolarHBondContact O-CB 3.33Å; D220-S275 PolarHBondContact O-OG 3.25Å
221	H	92.4	Very high	95.8	Very high	147 Å²	147	54 Å²	54	68%	0.681	29%	0.29	S	S	*	.	S	Bend	trans	-106.2	-16	-174.3	-55.2	-48.5	0	0	0	114	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.2Å; S219-H221 PolarHBondContact OG-N 2.9Å; H221-P274 WeakPolarHBondContact O-CA 3.44Å; H221-S275 PolarHBondContact O-N 3.27Å; H221-S275 PolarHBondContact O-OG 3Å
222	E	95	Very high	95.8	Very high	92 Å²	92	52.3 Å²	52.3	43%	0.43	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.7	-171.9	-66.7	-178.8	166	0	0	112.6	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 2.87Å; S219-E222 PolarHBondContact N-O 2.95Å; S219-E222 VanDerWaalsContact N-O 3.07Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 3.08Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; E222-V273 WeakPolarHBondContact CA-O 3.25Å; E222-S275 PolarHBondContact N-OG 3.25Å
223	A	95.6	Very high	95.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.3	171.9	0	0	0	0	0	111.2	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.45Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.49Å; A223-V272 WeakPolarHBondContact O-CA 3.32Å; A223-V273 HydrophobicContact CB-CG2 4.39Å; A223-V273 PolarHBondContact N-O 3.4Å; A223-V273 PolarHBondContact O-N 3.02Å
224	T	97.4	Very high	95.6	Very high	21 Å²	21	48.5 Å²	48.5	13%	0.129	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.9	168.1	-52.3	0	0	0	0	109.7	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.31Å; H216-T224 PolarHBondContact N-O 2.83Å; H216-T224 PolarHBondContact O-N 2.89Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.44Å; T224-A270 HydrophobicContact CG2-CB 3.89Å; T224-V271 WeakPolarHBondContact CA-O 3.4Å
225	L	98.1	Very high	95.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.1	162.9	-61.9	-175.8	0	0	0	109	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.35Å; V213-L225 HydrophobicContact CG1-CD2 4.48Å; T214-L225 WeakPolarHBondContact O-CA 3.34Å; H215-L225 HydrophobicContact CB-CD2 4.05Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.07Å; L225-W241 HydrophobicContact CD1-CZ3 4.23Å; L225-A270 CarbonylContact O-C 3.5Å; L225-A270 WeakPolarHBondContact O-CA 3.41Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 3.11Å; L225-V271 PolarHBondContact O-N 3.43Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.1Å; L225-V273 HydrophobicContact CG-CG1 4.12Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.08Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.26Å; L225-W298 HydrophobicContact CD1-CB 4.4Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.37Å; L225-W298 HydrophobicContact CD2-CG 3.96Å
226	R	98.3	Very high	95.6	Very high	51 Å²	51	50.2 Å²	50.2	19%	0.192	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.1	176.9	-174.9	178.6	-64.8	110.8	0.9	110.5	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.53Å; V213-R226 WeakPolarHBondContact CA-O 3.26Å; T214-R226 PolarHBondContact N-O 3.19Å; T214-R226 PolarHBondContact O-N 2.88Å; H216-R226 PolarHBondContact CD2-NH1 3.43Å; H216-R226 PolarHBondContact NE2-NH1 3.49Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.46Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.14Å; R226-W268 HydrophobicContact CG-CE3 3.92Å; R226-W268 HydrophobicContact CG-CG 4.23Å; R226-A269 WeakPolarHBondContact CA-O 3.46Å; R226-A270 HydrophobicContact CB-CB 4.13Å; R226-A270 HydrophobicContact CG-CB 4.16Å
227	C	98.3	Very high	95.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.1	174.7	-172.4	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.46Å; C227-W241 HydrophobicContact CB-CH2 4.48Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.5Å; C227-W268 VanDerWaalsContact O-CB 3.23Å; C227-W268 WeakPolarHBondContact O-CB 3.38Å; C227-A269 PolarHBondContact N-O 3.24Å; C227-A269 PolarHBondContact O-N 2.82Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.48Å; C227-C283 WeakPolarHBondContact SG-CB 3.43Å; C227-C283 CovalentContact SG-SG 2.02Å; C227-C283 PolarHBondContact SG-SG 3.16Å
228	W	98.5	Very high	96	Very high	48 Å²	48	44.9 Å²	44.9	18%	0.182	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.2	179.1	-70.3	88.7	0	0	0	110.7	T211 H212 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.49Å; H212-W228 VanDerWaalsContact CE1-CB 3.43Å; H212-W228 WeakPolarHBondContact CE1-CB 3.24Å; H212-W228 AromaticContact CE1-CD1 3.98Å; H212-W228 AromaticContact CE1-CG 3.71Å; H212-W228 PolarHBondContact N-O 3.41Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 3.03Å; R226-W228 VanDerWaalsContact CD-CE2 3.41Å; R226-W228 VanDerWaalsContact CD-CZ2 3.42Å; R226-W228 HydrophobicContact CG-CZ2 4.46Å; W228-L230 HydrophobicContact CE3-CD2 3.85Å; W228-L230 HydrophobicContact CZ3-CD2 4.38Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.22Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.63Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.43Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.43Å; W228-W268 HydrophobicContact CZ3-CG 4.14Å
229	A	98.6	Very high	96.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.2	162	0	0	0	0	0	108	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.86Å; T211-A229 HydrophobicContact CG2-CB 4.36Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.81Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.47Å; A229-K267 PolarHBondContact N-O 3.43Å; A229-K267 PolarHBondContact O-N 3.17Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.4	Very high	96.6	Very high	53 Å²	53	40 Å²	40	28%	0.277	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.5	-174.9	-59	177.3	0	0	0	111.2	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.41Å; K210-L230 PolarHBondContact O-N 3Å; W228-L230 HydrophobicContact CE3-CD2 3.85Å; W228-L230 HydrophobicContact CZ3-CD2 4.38Å; L230-F232 PolarHBondContact O-N 3.21Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å
231	G	97.6	Very high	97	Very high	24 Å²	24	33 Å²	33	25%	0.247	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.3	28.6	167.3	0	0	0	0	0	114.2	F265	G231-F265 PolarHBondContact N-O 2.64Å
232	F	97.8	Very high	97.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	155.8	-179.1	59.2	-89.4	0	0	0	113	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 CarbonylContact O-C 3.55Å; D207-F232 WeakPolarHBondContact O-CA 3.48Å; D207-F232 WeakPolarHBondContact O-CB 3.43Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.14Å; A229-F232 HydrophobicContact CB-CD1 4.06Å; A229-F232 HydrophobicContact CB-CE1 3.81Å; A229-F232 WeakPolarHBondContact O-CE1 3.37Å; L230-F232 PolarHBondContact O-N 3.21Å; F232-P234 WeakPolarHBondContact CD2-O 3.36Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.76Å; F232-I237 HydrophobicContact CE1-CG2 4.5Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.37Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.78Å; F232-I237 HydrophobicContact CZ-CG2 3.57Å; F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.96Å; F232-T264 CarbonylContact O-C 3.53Å; F232-T264 WeakPolarHBondContact O-CA 3.21Å; F232-F265 WeakPolarHBondContact CD1-O 3.3Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.25Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 2.71Å; F232-F265 PolarHBondContact O-N 2.92Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.71Å
233	Y	96.3	Very high	97.4	Very high	4 Å²	4	27 Å²	27	2%	0.016	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-150.1	136.6	172.1	179.1	-82.4	0	0	0	109	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.87Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.31Å; T55-Y233 PolarHBondContact OG1-OH 3.39Å; R205-Y233 WeakPolarHBondContact O-CD1 3.43Å; A206-Y233 CarbonylContact C-O 3.52Å; A206-Y233 VanDerWaalsContact CA-O 3.23Å; A206-Y233 WeakPolarHBondContact CA-O 3.32Å; D207-Y233 PolarHBondContact N-O 3.02Å; D207-Y233 PolarHBondContact O-N 2.92Å; Y233-R263 VanDerWaalsContact CD1-NH2 3.31Å; Y233-R263 HydrophobicContact CD2-CG 3.78Å; Y233-R263 HydrophobicContact CE2-CG 3.98Å; Y233-F265 HydrophobicContact CD2-CE2 4.13Å; Y233-H287 PolarHBondContact O-CE1 3.06Å
234	P	95.6	Very high	97.4	Very high	18 Å²	18	31.7 Å²	31.7	12%	0.117	16%	0.164	C	C	.	.	S	Bend	cis	-71.8	178.9	2.4	30.3	-36.5	0	0	0	113.3	D54 F232 E236 H287 E288	D54-P234 WeakPolarHBondContact OD2-CB 3.06Å; F232-P234 WeakPolarHBondContact CD2-O 3.36Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.06Å; P234-H287 PolarHBondContact O-NE2 3.43Å; P234-E288 WeakPolarHBondContact CG-OE2 3.45Å
235	A	96.5	Very high	97.1	Very high	16 Å²	16	33 Å²	33	13%	0.132	18%	0.182	C	C	.	.	S	Bend	trans	-68.6	-27.8	-176.8	0	0	0	0	0	113.4	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.38Å; D54-A235 WeakPolarHBondContact OD2-CB 3.48Å; D54-A235 PolarHBondContact OD2-N 3.23Å; A235-I237 PolarHBondContact O-N 3.09Å; A235-T257 HydrophobicContact CB-CG2 4.35Å; A235-T257 WeakPolarHBondContact O-CG2 3.41Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.62Å; A235-F265 HydrophobicContact CB-CG 3.77Å; A235-F265 HydrophobicContact CB-CZ 3.62Å
236	E	95.9	Very high	97	Very high	113 Å²	113	40 Å²	40	53%	0.528	22%	0.215	S	C	.	.			trans	-64.9	120.4	-180	-170.4	65	-147.6	0	0	109.9	W23 P234 H287	W23-E236 HydrophobicContact CD2-CG 4.48Å; W23-E236 HydrophobicContact CE3-CG 4.04Å; W23-E236 HydrophobicContact CH2-CB 4.23Å; W23-E236 HydrophobicContact CH2-CG 3.18Å; W23-E236 HydrophobicContact CZ2-CG 3.59Å; W23-E236 HydrophobicContact CZ3-CB 3.97Å; W23-E236 HydrophobicContact CZ3-CG 3.39Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.06Å; E236-H287 PolarHBondContact O-CD2 3.16Å
237	I	96.9	Very high	96.8	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.051	23%	0.23	C	C	.	.			trans	-155.3	145.2	-176.8	-164.7	171.5	0	0	0	109.5	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.07Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.27Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.76Å; F232-I237 HydrophobicContact CE1-CG2 4.5Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.86Å; F232-I237 HydrophobicContact CE2-CG1 4.37Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.78Å; F232-I237 HydrophobicContact CZ-CG2 3.57Å; A235-I237 PolarHBondContact O-N 3.09Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.28Å; I237-K267 HydrophobicContact CG2-CD 3.63Å; I237-V285 HydrophobicContact CD1-CG1 4.05Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; I237-Q286 VanDerWaalsContact CG1-O 3.28Å; I237-Q286 WeakPolarHBondContact CG1-O 3.27Å; I237-H287 HydrophobicContact CD1-CB 4.37Å; I237-H287 HydrophobicContact CG1-CB 4.1Å
238	T	97.4	Very high	96.7	Very high	46 Å²	46	43.3 Å²	43.3	28%	0.282	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.1	174.2	-51.3	0	0	0	0	110.5	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.11Å; T238-V285 WeakPolarHBondContact O-CA 3.15Å; T238-Q286 PolarHBondContact N-O 3.25Å; T238-Q286 PolarHBondContact O-N 2.87Å
239	L	97.7	Very high	96.2	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123	172.9	-85.9	63.8	0	0	0	108.6	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.66Å; I237-L239 HydrophobicContact CG2-CD1 4.12Å; L239-L254 HydrophobicContact CB-CD1 4.19Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.49Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; L239-H284 WeakPolarHBondContact CA-O 3.32Å; L239-V285 HydrophobicContact CD1-CG1 4.13Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240	T	97.5	Very high	95.7	Very high	42 Å²	42	55.2 Å²	55.2	26%	0.258	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.8	175.6	58.4	0	0	0	0	111.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.11Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.33Å; T240-H284 PolarHBondContact N-O 2.88Å; T240-H284 PolarHBondContact O-N 2.86Å
241	W	98.2	Very high	95.1	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	137.5	168.7	-82.5	106.3	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.88Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.28Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.78Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.07Å; L225-W241 HydrophobicContact CD1-CZ3 4.23Å; 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 2.87Å; W241-A269 PolarHBondContact NE1-O 2.81Å; W241-V271 HydrophobicContact CB-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CG1 3.64Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; W241-T282 WeakPolarHBondContact CA-O 3.5Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.96Å
242	Q	97.9	Very high	95	Very high	42 Å²	42	58 Å²	58	20%	0.196	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.5	171.2	-70.5	-174.4	-6.6	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.53Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.38Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.42Å; Q242-D247 PolarHBondContact NE2-OD1 2.85Å; Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.38Å; Q242-T282 PolarHBondContact N-O 3.36Å; Q242-T282 PolarHBondContact O-N 2.91Å; Q242-H284 PolarHBondContact OE1-NE2 3.24Å
243	R	97.3	Very high	94.9	Very high	69 Å²	69	63.6 Å²	63.6	26%	0.26	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.8	168	-177	-173.4	-176.2	177.2	-0.8	108.1	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.81Å; R243-E246 PolarHBondContact N-O 2.92Å; R243-E246 PolarHBondContact O-N 2.85Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; R243-E277 IonicContact CZ-OE2 3.76Å; R243-E277 IonicContact NE-OE2 3.72Å; R243-E277 IonicContact NH2-OE1 2.66Å; R243-E277 IonicContact NH2-OE2 3.51Å; R243-E277 PolarHBondContact NH2-OE2 2.91Å; R243-R280 WeakPolarHBondContact CA-O 3.33Å; R243-R280 HydrophobicContact CG-CB 4.4Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.91Å; R243-Y281 HydrophobicContact CG-CD2 4.48Å; R243-Y281 HydrophobicContact CG-CE1 4.15Å; R243-Y281 HydrophobicContact CG-CE2 4.08Å
244	D	95.3	Very high	94.9	Very high	100 Å²	100	67.6 Å²	67.6	54%	0.535	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	28.9	-175.6	-53.7	-50	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 3.45Å; D244-R280 IonicContact OD1-NE 2.8Å; D244-R280 PolarHBondContact OD1-NE 2.83Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 2.95Å; D244-R280 PolarHBondContact OD2-NE 2.95Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 3.43Å
245	G	91.5	Very high	95	Very high	49 Å²	49	68.3 Å²	68.3	51%	0.505	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-0.7	-177.9	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 2.81Å
246	E	95.4	Very high	95	Very high	147 Å²	147	75.1 Å²	75.1	69%	0.687	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.7	175.9	-63	-173.2	170.3	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 3.38Å; R243-E246 PolarHBondContact N-O 2.92Å; R243-E246 PolarHBondContact O-N 2.85Å; E246-Q248 PolarHBondContact O-NE2 2.83Å
247	D	95.1	Very high	95.1	Very high	96 Å²	96	71.7 Å²	71.7	51%	0.513	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	133.5	-179.2	-69.8	-26.7	0	0	0	112.3	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.42Å; Q242-D247 PolarHBondContact NE2-OD1 2.85Å
248	Q	94.6	Very high	95.1	Very high	25 Å²	25	75.9 Å²	75.9	12%	0.117	39%	0.393	C	S	.	.			trans	-103.9	38.1	-177.4	-57.4	-61	-70.4	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.24Å; W241-Q248 PolarHBondContact O-N 2.87Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; E246-Q248 PolarHBondContact O-NE2 2.83Å; Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.83Å; Q248-D251 PolarHBondContact O-N 2.9Å; Q248-T252 WeakPolarHBondContact O-CB 3.44Å; Q248-T252 PolarHBondContact O-N 3.1Å; Q248-T252 PolarHBondContact O-OG1 2.87Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å
249	T	88.6	Confident	95.1	Very high	106 Å²	106	78.2 Å²	78.2	65%	0.65	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-37.4	-169.1	-48.8	0	0	0	0	113.9
250	Q	88.1	Confident	95	Very high	192 Å²	192	80.4 Å²	80.4	90%	0.897	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-31.5	-178.5	-66.4	-174.4	4.3	0	0	113	Q248 T252	Q248-Q250 VanDerWaalsContact C-N 3.31Å; Q248-Q250 PolarHBondContact O-N 2.83Å; Q250-T252 VanDerWaalsContact C-N 3.35Å
251	D	87	Confident	94.7	Very high	113 Å²	113	82 Å²	82	60%	0.604	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	1.3	-177.8	-56.1	-53.8	0	0	0	112.5	Q248	Q248-D251 PolarHBondContact O-N 2.9Å
252	T	94.3	Very high	94.4	Very high	23 Å²	23	87 Å²	87	14%	0.141	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.6	179.9	-63.8	0	0	0	0	110.7	Q248 Q250 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.44Å; Q248-T252 PolarHBondContact O-N 3.1Å; Q248-T252 PolarHBondContact O-OG1 2.87Å; Q250-T252 VanDerWaalsContact C-N 3.35Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 3.48Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.26Å
253	E	96.6	Very high	94.1	Very high	117 Å²	117	87.8 Å²	87.8	55%	0.547	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	107.5	163.2	-173.6	-174	-172.8	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.02Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.47Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.2Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 2.81Å; E253-A270 PolarHBondContact O-N 2.73Å
254	L	96.4	Very high	94	Very high	88 Å²	88	85.4 Å²	85.4	46%	0.461	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.5	177.9	-174	68.2	0	0	0	109.8	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.19Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 3.48Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
255	V	96.4	Very high	94.2	Very high	33 Å²	33	81.8 Å²	81.8	20%	0.2	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-85.6	154.3	175.3	-64.7	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 VanDerWaalsContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CE 3.26Å; V255-K267 WeakPolarHBondContact O-CG 3.41Å; V255-K267 PolarHBondContact O-NZ 2.82Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.25Å; V255-W268 HydrophobicContact CG1-CH2 3.54Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.05Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.43Å; V255-W268 PolarHBondContact N-O 2.86Å
256	E	96.5	Very high	94.5	Very high	158 Å²	158	81.7 Å²	81.7	74%	0.738	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-57.7	146.5	168.6	-67.8	-57.1	156.6	0	0	111.9	R258	E256-R258 PolarHBondContact O-N 3.11Å
257	T	97.8	Very high	94.7	Very high	42 Å²	42	75.5 Å²	75.5	26%	0.258	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-67.3	128.5	174.4	-56.6	0	0	0	0	108.6	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.96Å; A235-T257 HydrophobicContact CB-CG2 4.35Å; A235-T257 WeakPolarHBondContact O-CG2 3.41Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.87Å; T257-F265 HydrophobicContact CG2-CG 4.1Å; T257-K267 WeakPolarHBondContact OG1-CD 3.39Å; T257-K267 PolarHBondContact OG1-NZ 3.42Å; T257-K267 VanDerWaalsContact OG1-NZ 3.17Å
258	R	97.1	Very high	94.8	Very high	98 Å²	98	72.2 Å²	72.2	37%	0.37	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.9	-174.3	68.8	-168.8	-178.8	-176.1	4	111.6	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.11Å; R258-F265 WeakPolarHBondContact O-CA 3.48Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.23Å; R258-Q266 WeakPolarHBondContact O-CG 3.22Å; R258-Q266 PolarHBondContact O-N 3.32Å
259	P	97	Very high	95	Very high	95 Å²	95	71 Å²	71	62%	0.617	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	145.1	178.7	29	-34.8	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.24Å
260	A	95.9	Very high	95.4	Very high	51 Å²	51	66.1 Å²	66.1	42%	0.421	36%	0.355	S	S	.	.			trans	-89.9	-15.2	173.1	0	0	0	0	0	113	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.45Å; A260-T264 WeakPolarHBondContact CB-O 3.37Å; A260-T264 WeakPolarHBondContact CB-OG1 3.44Å; A260-T264 PolarHBondContact N-O 3.22Å
261	G	92.1	Very high	95.9	Very high	75 Å²	75	57.1 Å²	57.1	77%	0.773	31%	0.314	S	S	*	.	S	Bend	trans	96.3	-5.7	179.2	0	0	0	0	0	114.8
262	D	91.8	Very high	96.4	Very high	108 Å²	108	55 Å²	55	58%	0.578	31%	0.305	S	S	*	.	S	Bend	trans	-116.7	30.6	-178.4	66.2	-7.5	0	0	0	112.3	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.45Å; D262-T264 PolarHBondContact O-N 3.17Å; D262-T264 WeakPolarHBondContact OD1-CB 3.21Å; D262-T264 PolarHBondContact OD1-N 3.05Å; D262-T264 VanDerWaalsContact OD1-N 3.1Å; D262-T264 PolarHBondContact OD1-OG1 3.18Å
263	R	90.9	Very high	96.5	Very high	59 Å²	59	54 Å²	54	22%	0.223	30%	0.299	C	S	.	.	S	Bend	trans	76.8	-23.6	-168.1	-177	-173.6	176.9	-142.6	-1.9	114.9	K202 Y233 F265	K202-R263 VanDerWaalsContact O-CZ 3.26Å; K202-R263 PolarHBondContact O-NH1 3.02Å; K202-R263 VanDerWaalsContact O-NH1 3.14Å; K202-R263 PolarHBondContact O-NH2 3.01Å; Y233-R263 VanDerWaalsContact CD1-NH2 3.31Å; Y233-R263 HydrophobicContact CD2-CG 3.78Å; Y233-R263 HydrophobicContact CE2-CG 3.98Å; R263-F265 WeakPolarHBondContact O-CE2 3.23Å
264	T	96.5	Very high	96.5	Very high	18 Å²	18	50.6 Å²	50.6	11%	0.11	29%	0.287	C	S	.	.			trans	-84.9	168.6	-176.3	74.9	0	0	0	0	113	F232 A260 D262	F232-T264 CarbonylContact O-C 3.53Å; F232-T264 WeakPolarHBondContact O-CA 3.21Å; A260-T264 WeakPolarHBondContact CB-O 3.37Å; A260-T264 WeakPolarHBondContact CB-OG1 3.44Å; A260-T264 PolarHBondContact N-O 3.22Å; D262-T264 PolarHBondContact O-N 3.17Å; D262-T264 WeakPolarHBondContact OD1-CB 3.21Å; D262-T264 PolarHBondContact OD1-N 3.05Å; D262-T264 VanDerWaalsContact OD1-N 3.1Å; D262-T264 PolarHBondContact OD1-OG1 3.18Å
265	F	98.2	Very high	96.3	Very high	25 Å²	25	49 Å²	49	11%	0.11	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	164.1	179.9	-64.8	-88.2	0	0	0	111.8	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.75Å; G231-F265 PolarHBondContact N-O 2.64Å; F232-F265 WeakPolarHBondContact CD1-O 3.3Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.25Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.65Å; F232-F265 PolarHBondContact N-O 2.71Å; F232-F265 PolarHBondContact O-N 2.92Å; Y233-F265 HydrophobicContact CD2-CE2 4.13Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.69Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.62Å; A235-F265 HydrophobicContact CB-CG 3.77Å; A235-F265 HydrophobicContact CB-CZ 3.62Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.87Å; T257-F265 HydrophobicContact CG2-CG 4.1Å; 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 3.23Å
266	Q	98.3	Very high	96	Very high	46 Å²	46	50.7 Å²	50.7	22%	0.215	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	145	174	43.8	168.6	-21.6	0	0	109.8	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.47Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.23Å; R258-Q266 WeakPolarHBondContact O-CG 3.22Å; R258-Q266 PolarHBondContact O-N 3.32Å
267	K	98.6	Very high	96	Very high	17 Å²	17	45.8 Å²	45.8	7%	0.074	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	154	176.7	-161.7	-176.4	-171.9	70.1	0	108.8	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.43Å; A229-K267 PolarHBondContact O-N 3.17Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.12Å; I237-K267 HydrophobicContact CG2-CB 4.28Å; I237-K267 HydrophobicContact CG2-CD 3.63Å; L239-K267 HydrophobicContact CD1-CD 4.33Å; L239-K267 HydrophobicContact CD2-CB 4.4Å; L239-K267 HydrophobicContact CD2-CG 4.49Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; V255-K267 HydrophobicContact CG2-CG 4.45Å; V255-K267 VanDerWaalsContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CE 3.26Å; V255-K267 WeakPolarHBondContact O-CG 3.41Å; V255-K267 PolarHBondContact O-NZ 2.82Å; T257-K267 WeakPolarHBondContact OG1-CD 3.39Å; T257-K267 PolarHBondContact OG1-NZ 3.42Å; T257-K267 VanDerWaalsContact OG1-NZ 3.17Å
268	W	98.3	Very high	95.8	Very high	27 Å²	27	44.8 Å²	44.8	10%	0.102	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	156.3	169.4	59.3	-99.5	0	0	0	111.5	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.14Å; R226-W268 HydrophobicContact CG-CE3 3.92Å; R226-W268 HydrophobicContact CG-CG 4.23Å; C227-W268 CarbonylContact O-C 3.55Å; C227-W268 WeakPolarHBondContact O-CA 3.5Å; C227-W268 VanDerWaalsContact O-CB 3.23Å; C227-W268 WeakPolarHBondContact O-CB 3.38Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.22Å; W228-W268 HydrophobicContact CG-CB 4.39Å; W228-W268 AromaticContact CH2-CD1 3.63Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.43Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.43Å; W228-W268 HydrophobicContact CZ3-CG 4.14Å; E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.92Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.02Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.47Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.25Å; V255-W268 HydrophobicContact CG1-CH2 3.54Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.05Å; V255-W268 HydrophobicContact CG2-CD2 3.73Å; V255-W268 HydrophobicContact CG2-CE3 4.46Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.43Å; V255-W268 PolarHBondContact N-O 2.86Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
269	A	98.3	Very high	95.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.7	174.1	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.46Å; C227-A269 PolarHBondContact N-O 3.24Å; C227-A269 PolarHBondContact O-N 2.82Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.3Å; W241-A269 PolarHBondContact NE1-O 2.81Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.2Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
270	A	98	Very high	95.7	Very high	3 Å²	3	44.8 Å²	44.8	3%	0.025	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.2	179.9	0	0	0	0	0	111.9	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.89Å; L225-A270 CarbonylContact O-C 3.5Å; L225-A270 WeakPolarHBondContact O-CA 3.41Å; R226-A270 HydrophobicContact CB-CB 4.13Å; R226-A270 HydrophobicContact CG-CB 4.16Å; T252-A270 CarbonylContact C-O 3.53Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.26Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 2.81Å; E253-A270 PolarHBondContact O-N 2.73Å; W268-A270 HydrophobicContact CE3-CB 3.93Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
271	V	97.9	Very high	95.8	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	142.2	175.8	63	0	0	0	0	109	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.4Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 3.11Å; L225-V271 PolarHBondContact O-N 3.43Å; W241-V271 HydrophobicContact CB-CG1 4.38Å; W241-V271 HydrophobicContact CD2-CG1 3.64Å; W241-V271 HydrophobicContact CE3-CG1 4.06Å; W241-V271 HydrophobicContact CG-CB 4.17Å; W241-V271 HydrophobicContact CG-CG1 3.78Å; W241-V271 HydrophobicContact CZ2-CG1 4.36Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.43Å; V271-Y281 HydrophobicContact CG1-CD1 3.98Å; V271-Y281 HydrophobicContact CG1-CE1 4.36Å; V271-Y281 HydrophobicContact CG2-CD1 4.39Å; V271-Y281 HydrophobicContact CG2-CE1 3.99Å
272	V	97.5	Very high	96.1	Very high	70 Å²	70	39.7 Å²	39.7	42%	0.424	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.7	171.2	-179.3	0	0	0	0	108.1	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 4.04Å; I218-V272 HydrophobicContact CD1-CG2 4.08Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; A223-V272 WeakPolarHBondContact O-CA 3.32Å
273	V	96.5	Very high	96.4	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.7	-175.4	-51.6	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.25Å; A223-V273 HydrophobicContact CB-CG2 4.39Å; A223-V273 PolarHBondContact N-O 3.4Å; A223-V273 PolarHBondContact O-N 3.02Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.1Å; L225-V273 HydrophobicContact CG-CG1 4.12Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.43Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.55Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	96.2	Very high	96.7	Very high	46 Å²	46	33.4 Å²	33.4	30%	0.299	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	140.1	170	-20	32.2	0	0	0	111.4	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.44Å; P274-G276 PolarHBondContact O-N 3Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.38Å; P274-E277 PolarHBondContact O-N 3.25Å
275	S	92.2	Very high	96.8	Very high	55 Å²	55	32.5 Å²	32.5	39%	0.385	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	128.1	175.1	-63.5	0	0	0	0	111	D220 H221 E222 E277 E278	D220-S275 WeakPolarHBondContact O-CB 3.33Å; D220-S275 PolarHBondContact O-OG 3.25Å; H221-S275 PolarHBondContact O-N 3.27Å; H221-S275 PolarHBondContact O-OG 3Å; E222-S275 PolarHBondContact N-OG 3.25Å; S275-E277 VanDerWaalsContact C-N 3.34Å; S275-E278 WeakPolarHBondContact CA-OE1 3.2Å
276	G	91.3	Very high	96.8	Very high	67 Å²	67	34.8 Å²	34.8	69%	0.691	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.7	-6.3	-178.5	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3Å; G276-E278 WeakPolarHBondContact CA-OE2 3.32Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.78Å; G276-E278 PolarHBondContact N-OE2 3.48Å
277	E	95.4	Very high	96.7	Very high	55 Å²	55	33.2 Å²	33.2	26%	0.257	18%	0.183	S	C	.	.			trans	-100.2	3.7	176	-65.7	-158.4	-152.8	0	0	113.6	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.76Å; R243-E277 IonicContact NE-OE2 3.72Å; R243-E277 IonicContact NH2-OE1 2.66Å; R243-E277 IonicContact NH2-OE2 3.51Å; R243-E277 PolarHBondContact NH2-OE2 2.91Å; P274-E277 HydrophobicContact CB-CB 4.29Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 WeakPolarHBondContact O-CB 3.38Å; P274-E277 PolarHBondContact O-N 3.25Å; S275-E277 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 3.13Å; E277-R280 WeakPolarHBondContact O-CB 3.3Å; E277-R280 PolarHBondContact O-N 2.99Å; E277-R280 IonicContact OE1-NH1 3.79Å; E277-R280 IonicContact OE2-CZ 3.47Å; E277-R280 IonicContact OE2-NE 3.43Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 2.99Å; E277-Y281 HydrophobicContact CB-CE2 4.44Å; E277-Y281 WeakPolarHBondContact O-CD2 3.46Å
278	E	94.9	Very high	96.4	Very high	21 Å²	21	36 Å²	36	10%	0.098	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-57.1	-33	-171.2	-56.7	81.3	-177.9	0	0	112.6	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.08Å; L225-E278 HydrophobicContact CD2-CB 4.43Å; L225-E278 HydrophobicContact CD2-CG 4.26Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; S275-E278 WeakPolarHBondContact CA-OE1 3.2Å; G276-E278 WeakPolarHBondContact CA-OE2 3.32Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.78Å; G276-E278 PolarHBondContact N-OE2 3.48Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 3.17Å; E278-Y281 PolarHBondContact O-N 2.77Å; E278-Y281 VanDerWaalsContact O-N 3.17Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å
279	Q	95.1	Very high	96.1	Very high	93 Å²	93	35.6 Å²	35.6	44%	0.435	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-72.2	-15.8	-179.2	-63	-56.8	-45.7	0	0	114	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.13Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 3.41Å
280	R	96.8	Very high	96	Very high	100 Å²	100	36.8 Å²	36.8	38%	0.377	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-76.7	-16.7	172.8	-63	174.1	67.8	177	5.7	112.2	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.33Å; R243-R280 HydrophobicContact CG-CB 4.4Å; D244-R280 PolarHBondContact N-O 3.45Å; D244-R280 IonicContact OD1-NE 2.8Å; D244-R280 PolarHBondContact OD1-NE 2.83Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 2.95Å; D244-R280 PolarHBondContact OD2-NE 2.95Å; D244-R280 IonicContact OD2-NH2 2.62Å; D244-R280 PolarHBondContact OD2-NH2 3.43Å; E277-R280 WeakPolarHBondContact O-CB 3.3Å; E277-R280 PolarHBondContact O-N 2.99Å; E277-R280 IonicContact OE1-NH1 3.79Å; E277-R280 IonicContact OE2-CZ 3.47Å; E277-R280 IonicContact OE2-NE 3.43Å; E277-R280 IonicContact OE2-NH1 2.7Å; E277-R280 PolarHBondContact OE2-NH1 2.99Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 3.17Å
281	Y	97.6	Very high	95.7	Very high	7 Å²	7	43.1 Å²	43.1	3%	0.027	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.8	-177.7	-69.7	-100.4	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.54Å; Q242-Y281 VanDerWaalsContact O-CA 3.26Å; Q242-Y281 WeakPolarHBondContact O-CA 3.38Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.91Å; R243-Y281 HydrophobicContact CG-CD2 4.48Å; R243-Y281 HydrophobicContact CG-CE1 4.15Å; R243-Y281 HydrophobicContact CG-CE2 4.08Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å; V271-Y281 HydrophobicContact CG1-CD1 3.98Å; V271-Y281 HydrophobicContact CG1-CE1 4.36Å; V271-Y281 HydrophobicContact CG2-CD1 4.39Å; V271-Y281 HydrophobicContact CG2-CE1 3.99Å; V273-Y281 HydrophobicContact CB-CD2 4.03Å; V273-Y281 HydrophobicContact CB-CE2 3.7Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.62Å; V273-Y281 HydrophobicContact CG1-CE1 3.63Å; V273-Y281 HydrophobicContact CG1-CE2 3.55Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.44Å; E277-Y281 WeakPolarHBondContact O-CD2 3.46Å; E278-Y281 PolarHBondContact O-N 2.77Å; E278-Y281 VanDerWaalsContact O-N 3.17Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	98	Very high	95.5	Very high	12 Å²	12	50.2 Å²	50.2	7%	0.074	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.1	175.6	47.5	0	0	0	0	110.7	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.5Å; Q242-T282 PolarHBondContact N-O 3.36Å; Q242-T282 PolarHBondContact O-N 2.91Å; T282-H284 PolarHBondContact O-CD2 3.34Å; T282-H284 PolarHBondContact OG1-NE2 3.03Å; T282-T295 HydrophobicContact CG2-CG2 3.92Å; T282-L296 CarbonylContact C-O 3.59Å; T282-L296 VanDerWaalsContact CA-O 3.31Å; T282-L296 WeakPolarHBondContact CA-O 3.39Å; T282-R297 HydrophobicContact CG2-CG 3.62Å; T282-R297 VanDerWaalsContact CG2-NE 3.33Å
283	C	98.2	Very high	95.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.9	169.4	174.1	0	0	0	0	109.6	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.48Å; C227-C283 WeakPolarHBondContact SG-CB 3.43Å; C227-C283 CovalentContact SG-SG 2.02Å; C227-C283 PolarHBondContact SG-SG 3.16Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.33Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.96Å; C283-T295 CarbonylContact O-C 3.51Å; C283-T295 WeakPolarHBondContact O-CA 3.22Å; C283-L296 HydrophobicContact CB-CB 4.33Å; C283-L296 PolarHBondContact N-O 3.43Å; C283-L296 PolarHBondContact O-N 3.28Å
284	H	97.9	Very high	95.4	Very high	35 Å²	35	52.7 Å²	52.7	16%	0.162	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.1	176.6	-64.1	-109.2	0	0	0	109.6	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.32Å; T240-H284 PolarHBondContact N-O 2.88Å; T240-H284 PolarHBondContact O-N 2.86Å; Q242-H284 PolarHBondContact OE1-NE2 3.24Å; T282-H284 PolarHBondContact O-CD2 3.34Å; T282-H284 PolarHBondContact OG1-NE2 3.03Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; H284-T295 PolarHBondContact ND1-OG1 3.15Å
285	V	98.1	Very high	95.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.5	-178.5	-174.3	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.93Å; T211-V285 HydrophobicContact CG2-CB 4.36Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 4Å; I237-V285 HydrophobicContact CD1-CG1 4.05Å; I237-V285 HydrophobicContact CG1-CG1 4.36Å; T238-V285 WeakPolarHBondContact O-CA 3.15Å; L239-V285 HydrophobicContact CD1-CG1 4.13Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; V285-P293 WeakPolarHBondContact O-CA 3.18Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 3.34Å; V285-L294 PolarHBondContact O-N 2.72Å; V285-L296 HydrophobicContact CG2-CD1 3.76Å
286	Q	97.4	Very high	95.7	Very high	73 Å²	73	53.3 Å²	53.3	34%	0.341	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.3	174.2	-54	-178.8	11	0	0	109.2	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.28Å; I237-Q286 WeakPolarHBondContact CG1-O 3.27Å; T238-Q286 PolarHBondContact N-O 3.25Å; T238-Q286 PolarHBondContact O-N 2.87Å; Q286-P293 HydrophobicContact CG-CB 4.1Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
287	H	95.9	Very high	96	Very high	12 Å²	12	57.2 Å²	57.2	6%	0.056	29%	0.287	C	S	.	.			trans	-159	146.1	-178.3	-174.2	-99.8	0	0	0	109	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 3.25Å; D207-H287 VanDerWaalsContact O-CE1 3.27Å; P209-H287 HydrophobicContact CG-CB 4.11Å; F232-H287 AromaticContact CD2-CD2 3.86Å; F232-H287 AromaticContact CD2-NE2 3.71Å; Y233-H287 PolarHBondContact O-CE1 3.06Å; P234-H287 PolarHBondContact O-NE2 3.43Å; E236-H287 PolarHBondContact O-CD2 3.16Å; I237-H287 HydrophobicContact CD1-CB 4.37Å; I237-H287 HydrophobicContact CG1-CB 4.1Å; H287-G289 PolarHBondContact ND1-N 2.89Å; H287-G289 PolarHBondContact O-N 2.94Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.15Å; H287-L290 WeakPolarHBondContact O-CB 3.37Å; H287-L290 PolarHBondContact O-N 3.43Å
288	E	92.7	Very high	96	Very high	76 Å²	76	56.8 Å²	56.8	36%	0.355	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-35.1	-179.5	-174	-173.8	174.6	0	0	112.9	A206 P234 L290	A206-E288 HydrophobicContact CB-CG 4.37Å; P234-E288 WeakPolarHBondContact CG-OE2 3.45Å; E288-L290 PolarHBondContact O-N 2.88Å
289	G	93.3	Very high	95.7	Very high	19 Å²	19	63.7 Å²	63.7	20%	0.196	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.3	178.4	0	0	0	0	0	114.1	P208 H287	P208-G289 WeakPolarHBondContact CB-O 3.34Å; H287-G289 PolarHBondContact ND1-N 2.89Å; H287-G289 PolarHBondContact O-N 2.94Å
290	L	95	Very high	95.1	Very high	25 Å²	25	63.1 Å²	63.1	13%	0.131	32%	0.319	C	S	.	.			trans	-95.5	126.3	179.3	-66.2	171	0	0	0	110.9	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.87Å; P208-L290 HydrophobicContact CB-CG 4.41Å; P209-L290 HydrophobicContact CG-CD1 3.9Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.23Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.15Å; H287-L290 WeakPolarHBondContact O-CB 3.37Å; H287-L290 PolarHBondContact O-N 3.43Å; E288-L290 PolarHBondContact O-N 2.88Å; L290-K292 WeakPolarHBondContact CB-O 3.19Å; L290-K292 PolarHBondContact O-N 2.95Å; L290-L294 HydrophobicContact CD1-CD1 4.03Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CD2 4.48Å; L290-L294 HydrophobicContact CD2-CG 3.94Å
291	P	92.9	Very high	93.4	Very high	136 Å²	136	63.1 Å²	63.1	88%	0.883	34%	0.335	S	S	*	.	S	Bend	trans	-66.7	-21.4	177	28	-35.3	0	0	0	112.8
292	K	93.1	Very high	91	Very high	151 Å²	151	68.2 Å²	68.2	66%	0.657	37%	0.371	S	S	*	.	S	Bend	trans	-150.9	150.1	172.2	59.6	179.2	179.8	177.5	0	109.2	L290	L290-K292 WeakPolarHBondContact CB-O 3.19Å; L290-K292 PolarHBondContact O-N 2.95Å
293	P	95.6	Very high	88.4	Confident	70 Å²	70	75.6 Å²	75.6	46%	0.455	41%	0.405	S	S	.	.			trans	-51.9	142.3	172.6	-27.8	36.1	0	0	0	112.1	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.18Å; Q286-P293 HydrophobicContact CG-CB 4.1Å; Q286-P293 HydrophobicContact CG-CG 4.16Å
294	L	96.8	Very high	85.7	Confident	53 Å²	53	79.9 Å²	79.9	28%	0.277	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	145.2	174.4	-62.4	178.5	0	0	0	110.1	T211 H284 V285 L290 L296	T211-L294 HydrophobicContact CG2-CD1 4.27Å; H284-L294 WeakPolarHBondContact CA-O 3.42Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 3.34Å; V285-L294 PolarHBondContact O-N 2.72Å; L290-L294 HydrophobicContact CD1-CD1 4.03Å; L290-L294 HydrophobicContact CD1-CG 3.89Å; L290-L294 HydrophobicContact CD2-CD1 3.7Å; L290-L294 HydrophobicContact CD2-CD2 4.48Å; L290-L294 HydrophobicContact CD2-CG 3.94Å; L294-L296 HydrophobicContact CB-CD1 4.1Å
295	T	97.8	Very high	83.3	Confident	87 Å²	87	84.5 Å²	84.5	53%	0.534	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	117.2	171.1	-57.1	0	0	0	0	107.9	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.92Å; C283-T295 CarbonylContact O-C 3.51Å; C283-T295 WeakPolarHBondContact O-CA 3.22Å; H284-T295 PolarHBondContact ND1-OG1 3.15Å
296	L	97.1	Very high	81	Confident	28 Å²	28	88 Å²	88	15%	0.147	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144.3	-178.1	-61.6	101.2	0	0	0	110.5	T211 V213 T282 C283 V285 L294	T211-L296 HydrophobicContact CG2-CD1 4.42Å; T211-L296 WeakPolarHBondContact OG1-CD2 3.21Å; V213-L296 HydrophobicContact CG2-CB 3.82Å; T282-L296 CarbonylContact C-O 3.59Å; T282-L296 VanDerWaalsContact CA-O 3.31Å; T282-L296 WeakPolarHBondContact CA-O 3.39Å; C283-L296 HydrophobicContact CB-CB 4.33Å; C283-L296 PolarHBondContact N-O 3.43Å; C283-L296 PolarHBondContact O-N 3.28Å; V285-L296 HydrophobicContact CG2-CD1 3.76Å; L294-L296 HydrophobicContact CB-CD1 4.1Å
297	R	96.2	Very high	79	Confident	148 Å²	148	88.5 Å²	88.5	56%	0.558	50%	0.497	S	S	*	.			trans	-116.9	162.2	164.2	-70.8	-174.6	176.9	148.4	0.2	108.9	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.62Å; T282-R297 VanDerWaalsContact CG2-NE 3.33Å; R297-E299 PolarHBondContact O-N 2.89Å
298	W	95.7	Very high	77.3	Confident	47 Å²	47	93.9 Å²	93.9	18%	0.178	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-69.1	121.8	167.2	171.6	58	0	0	0	109.8	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CG1-CB 3.85Å; H215-W298 HydrophobicContact CB-CD2 4.11Å; H215-W298 VanDerWaalsContact CB-CE2 3.49Å; H215-W298 HydrophobicContact CB-CG 4.18Å; H215-W298 HydrophobicContact CB-CZ2 3.94Å; H215-W298 AromaticContact CD2-CZ2 3.95Å; H215-W298 AromaticContact CG-CE2 3.81Å; H215-W298 AromaticContact CG-CZ2 3.78Å; L225-W298 HydrophobicContact CD1-CB 4.4Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.37Å; L225-W298 HydrophobicContact CD2-CG 3.96Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.43Å; E278-W298 VanDerWaalsContact CB-CE3 3.43Å; E278-W298 HydrophobicContact CB-CZ3 3.87Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å; Q279-W298 PolarHBondContact NE2-O 3.41Å; W298-P300 HydrophobicContact CE3-CG 4.37Å; W298-P300 HydrophobicContact CH2-CB 4.2Å; W298-P300 HydrophobicContact CH2-CG 3.92Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 4.08Å; W298-P300 HydrophobicContact CZ3-CG 4.06Å
299	E	89.4	Confident	75.9	Confident	166 Å²	166	96.1 Å²	96.1	78%	0.776	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-99.4	119.2	168.5	-71.3	-179	175.4	0	0	108.2	R297 S301	R297-E299 PolarHBondContact O-N 2.89Å; E299-S301 PolarHBondContact O-N 3.49Å; E299-S301 VanDerWaalsContact O-N 3.08Å
300	P	81.3	Confident	74.8	Confident	80 Å²	80	97.1 Å²	97.1	52%	0.519	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-56.5	120	170.9	-18.9	29.3	0	0	0	107.5	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.37Å; W298-P300 HydrophobicContact CH2-CB 4.2Å; W298-P300 HydrophobicContact CH2-CG 3.92Å; W298-P300 HydrophobicContact CZ2-CB 4Å; W298-P300 HydrophobicContact CZ2-CG 4.08Å; W298-P300 HydrophobicContact CZ3-CG 4.06Å; P300-S302 PolarHBondContact O-N 3.19Å
301	S	61.7	Low	73.8	Confident	101 Å²	101	100.4 Å²	100.4	71%	0.706	57%	0.57	S	S	*	*			trans	-51.1	115.3	179.1	48.3	0	0	0	0	108.5	E299 Q303	E299-S301 PolarHBondContact O-N 3.49Å; E299-S301 VanDerWaalsContact O-N 3.08Å; S301-Q303 PolarHBondContact O-N 3.27Å
302	S	46.7	Very low	73.1	Confident	113 Å²	113	98.3 Å²	98.3	79%	0.79	56%	0.555	S	S	*	*			trans	-68.1	76.6	163.1	62.4	0	0	0	0	106.4	P300 S304	P300-S302 PolarHBondContact O-N 3.19Å; S302-S304 PolarHBondContact O-N 3.28Å
303	Q	44.5	Very low	72.4	Confident	168 Å²	168	93.6 Å²	93.6	79%	0.785	54%	0.544	S	S	*	.			trans	-60	88.1	146.6	-82.3	-170.9	-5.7	0	0	103.9	S301 T305	S301-Q303 PolarHBondContact O-N 3.27Å; Q303-T305 PolarHBondContact O-N 3.39Å; Q303-T305 PolarHBondContact O-OG1 3.18Å
304	S	40.7	Very low	71.8	Confident	90 Å²	90	92 Å²	92	63%	0.629	54%	0.54	S	S	*	.			trans	-50.2	100.3	166.5	172.2	0	0	0	0	104.1	S302 V306	S302-S304 PolarHBondContact O-N 3.28Å; S304-V306 PolarHBondContact O-N 3.47Å; S304-V306 VanDerWaalsContact OG-CG2 3.23Å; S304-V306 WeakPolarHBondContact OG-CG2 3.3Å; S304-V306 PolarHBondContact OG-N 3.26Å
305	T	46.8	Very low	71.4	Confident	131 Å²	131	94.9 Å²	94.9	80%	0.804	56%	0.555	S	S	*	*			trans	-67.6	71.1	158.6	-21.6	0	0	0	0	103.5	Q303 P307	Q303-T305 PolarHBondContact O-N 3.39Å; Q303-T305 PolarHBondContact O-OG1 3.18Å; T305-P307 WeakPolarHBondContact O-CD 3.42Å
306	V	50.7	Low	70.8	Confident	73 Å²	73	93.4 Å²	93.4	44%	0.442	55%	0.552	S	S	.	*			trans	-48.6	120.9	153.9	-178.8	0	0	0	0	102	S304 I308 I311	S304-V306 PolarHBondContact O-N 3.47Å; S304-V306 VanDerWaalsContact OG-CG2 3.23Å; S304-V306 WeakPolarHBondContact OG-CG2 3.3Å; S304-V306 PolarHBondContact OG-N 3.26Å; V306-I308 PolarHBondContact O-N 2.87Å; V306-I311 HydrophobicContact CG1-CD1 3.88Å
307	P	55.6	Low	70.3	Confident	85 Å²	85	96.6 Å²	96.6	55%	0.552	57%	0.572	S	S	*	*			trans	-71.2	82.2	-174.5	28.2	-32	0	0	0	106.3	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.42Å; P307-V309 PolarHBondContact O-N 3.36Å; P307-G310 WeakPolarHBondContact O-CA 3.46Å; P307-G310 PolarHBondContact O-N 3.08Å; P307-I311 PolarHBondContact O-N 3.16Å
308	I	60.3	Low	69.8	Low	125 Å²	125	94.8 Å²	94.8	64%	0.641	57%	0.573	S	S	*	*	H	α-helix	trans	-54.8	-35.3	175.4	-66.9	169.6	0	0	0	107.5	V306 G310 I311 V312	V306-I308 PolarHBondContact O-N 2.87Å; I308-G310 PolarHBondContact O-N 3.36Å; I308-I311 PolarHBondContact O-N 2.91Å; I308-V312 HydrophobicContact CG2-CG2 4.29Å; I308-V312 WeakPolarHBondContact O-CB 3.38Å; I308-V312 WeakPolarHBondContact O-CG2 3.35Å; I308-V312 PolarHBondContact O-N 3.01Å
309	V	63.3	Low	69.4	Low	122 Å²	122	94.9 Å²	94.9	74%	0.739	58%	0.584	S	S	*	*	H	α-helix	trans	-59.5	-42.2	171.3	-176.3	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 3.36Å; V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.43Å; V309-A313 PolarHBondContact O-N 2.98Å
310	G	69.1	Low	69.2	Low	41 Å²	41	92 Å²	92	42%	0.423	58%	0.577	S	S	.	*	H	α-helix	trans	-68.9	-38.5	178.7	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.46Å; P307-G310 PolarHBondContact O-N 3.08Å; I308-G310 PolarHBondContact O-N 3.36Å; G310-G314 PolarHBondContact O-N 3.04Å
311	I	75.1	Confident	69.5	Low	94 Å²	94	92.5 Å²	92.5	48%	0.482	58%	0.579	S	S	.	*	H	α-helix	trans	-68.8	-44	175.7	-62.9	172.4	0	0	0	110.5	V306 P307 I308 G314 L315	V306-I311 HydrophobicContact CG1-CD1 3.88Å; P307-I311 PolarHBondContact O-N 3.16Å; I308-I311 PolarHBondContact O-N 2.91Å; I311-G314 PolarHBondContact O-N 2.78Å; I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.34Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 3.5Å
312	V	77.8	Confident	70.7	Confident	91 Å²	91	91.5 Å²	91.5	55%	0.552	57%	0.569	S	S	*	*	H	α-helix	trans	-65	-43.8	177.9	172.2	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.29Å; I308-V312 WeakPolarHBondContact O-CB 3.38Å; I308-V312 WeakPolarHBondContact O-CG2 3.35Å; I308-V312 PolarHBondContact O-N 3.01Å; V312-L315 PolarHBondContact O-N 3.48Å; V312-A316 WeakPolarHBondContact O-CB 3.34Å; V312-A316 PolarHBondContact O-N 3.13Å
313	A	78.7	Confident	72.6	Confident	52 Å²	52	91.4 Å²	91.4	43%	0.43	56%	0.558	S	S	.	*	H	α-helix	trans	-62.9	-43.2	175.2	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.43Å; V309-A313 PolarHBondContact O-N 2.98Å; A313-A316 PolarHBondContact O-N 3.38Å; A313-V317 WeakPolarHBondContact O-CG2 3.39Å; A313-V317 PolarHBondContact O-N 2.95Å
314	G	83.6	Confident	74.4	Confident	37 Å²	37	85.3 Å²	85.3	38%	0.381	54%	0.541	S	S	.	.	H	α-helix	trans	-60.6	-45.2	176.8	0	0	0	0	0	112.9	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.04Å; I311-G314 PolarHBondContact O-N 2.78Å; G314-V317 PolarHBondContact O-N 3.45Å; G314-L318 PolarHBondContact O-N 2.99Å
315	L	87	Confident	76.4	Confident	113 Å²	113	83.9 Å²	83.9	59%	0.592	53%	0.534	S	S	*	.	H	α-helix	trans	-65.8	-38.6	177.4	-73.3	170.9	0	0	0	112.6	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.02Å; I311-L315 WeakPolarHBondContact O-CB 3.34Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 3.5Å; V312-L315 PolarHBondContact O-N 3.48Å; L315-L318 PolarHBondContact O-N 3.14Å; L315-A319 PolarHBondContact O-N 3.42Å
316	A	84.9	Confident	78.2	Confident	56 Å²	56	81.6 Å²	81.6	46%	0.463	52%	0.52	S	S	.	.	H	α-helix	trans	-63.9	-43.6	176.8	0	0	0	0	0	111.9	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.34Å; V312-A316 PolarHBondContact O-N 3.13Å; A313-A316 PolarHBondContact O-N 3.38Å; A316-A319 PolarHBondContact O-N 3.29Å; A316-V320 WeakPolarHBondContact O-CG2 3.5Å; A316-V320 PolarHBondContact O-N 2.87Å; A316-V320 VanDerWaalsContact O-N 3.11Å
317	V	86.4	Confident	79.6	Confident	95 Å²	95	81.8 Å²	81.8	58%	0.576	52%	0.521	S	S	*	.	H	α-helix	trans	-62.9	-44	176.3	173.8	0	0	0	0	110.8	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.39Å; A313-V317 PolarHBondContact O-N 2.95Å; G314-V317 PolarHBondContact O-N 3.45Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.91Å; V317-V320 PolarHBondContact O-N 3.22Å; V317-V321 HydrophobicContact CG1-CG2 4.47Å; V317-V321 WeakPolarHBondContact O-CG2 3.39Å; V317-V321 PolarHBondContact O-N 2.93Å
318	L	87.6	Confident	80.7	Confident	110 Å²	110	80.2 Å²	80.2	58%	0.576	52%	0.515	S	S	*	.	H	α-helix	trans	-60.2	-43	177.5	-118.2	152.1	0	0	0	112	G314 L315 V320 V321 V322	G314-L318 PolarHBondContact O-N 2.99Å; L315-L318 PolarHBondContact O-N 3.14Å; L318-V320 PolarHBondContact O-N 2.99Å; L318-V321 PolarHBondContact O-N 3.19Å; L318-V322 HydrophobicContact CD2-CG2 4.44Å; L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.4Å; L318-V322 PolarHBondContact O-N 3.22Å
319	A	85.9	Confident	81.5	Confident	49 Å²	49	77 Å²	77	41%	0.405	51%	0.507	S	S	.	.	H	α-helix	trans	-61.7	-43.5	176.7	0	0	0	0	0	112.2	L315 A316 V317 V321 V322 I323	L315-A319 PolarHBondContact O-N 3.42Å; A316-A319 PolarHBondContact O-N 3.29Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 2.91Å; A319-V321 PolarHBondContact O-N 2.9Å; A319-V322 PolarHBondContact O-N 3.5Å; A319-I323 WeakPolarHBondContact O-CB 3.36Å; A319-I323 WeakPolarHBondContact O-CD1 3.15Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.45Å; A319-I323 PolarHBondContact O-N 3.37Å
320	V	86.6	Confident	82.1	Confident	105 Å²	105	75 Å²	75	64%	0.636	50%	0.495	S	S	*	.	H	α-helix	trans	-63.2	-42.6	177.3	173.8	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.5Å; A316-V320 PolarHBondContact O-N 2.87Å; A316-V320 VanDerWaalsContact O-N 3.11Å; V317-V320 PolarHBondContact O-N 3.22Å; L318-V320 PolarHBondContact O-N 2.99Å; V320-I323 PolarHBondContact O-N 3.42Å; V320-G324 PolarHBondContact O-N 3.23Å
321	V	87.4	Confident	82.3	Confident	91 Å²	91	79.1 Å²	79.1	55%	0.552	51%	0.505	S	S	*	.	H	α-helix	trans	-63.4	-44.1	177.9	172.5	0	0	0	0	111.2	V317 L318 A319 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.47Å; V317-V321 WeakPolarHBondContact O-CG2 3.39Å; V317-V321 PolarHBondContact O-N 2.93Å; L318-V321 PolarHBondContact O-N 3.19Å; A319-V321 PolarHBondContact O-N 2.9Å; V321-G324 PolarHBondContact O-N 2.98Å; V321-A325 WeakPolarHBondContact O-CB 3.49Å; V321-A325 PolarHBondContact O-N 3.41Å
322	V	86.4	Confident	82.1	Confident	81 Å²	81	79 Å²	79	49%	0.491	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-45.6	178.6	172.4	0	0	0	0	110.9	L318 A319 G324 A325 V326	L318-V322 HydrophobicContact CD2-CG2 4.44Å; L318-V322 VanDerWaalsContact O-CG2 3.29Å; L318-V322 WeakPolarHBondContact O-CG2 3.4Å; L318-V322 PolarHBondContact O-N 3.22Å; A319-V322 PolarHBondContact O-N 3.5Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 2.8Å; V322-A325 PolarHBondContact O-N 3.08Å; V322-V326 HydrophobicContact CG1-CG2 4.45Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.34Å; V322-V326 PolarHBondContact O-N 2.86Å
323	I	85.1	Confident	81.5	Confident	110 Å²	110	84.4 Å²	84.4	56%	0.564	52%	0.521	S	S	*	.	H	α-helix	trans	-61	-45.3	176.9	-67.4	165.7	0	0	0	110.3	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.36Å; A319-I323 WeakPolarHBondContact O-CD1 3.15Å; A319-I323 VanDerWaalsContact O-CG1 3.24Å; A319-I323 WeakPolarHBondContact O-CG1 3.45Å; A319-I323 PolarHBondContact O-N 3.37Å; V320-I323 PolarHBondContact O-N 3.42Å; I323-A325 PolarHBondContact O-N 3.41Å; I323-V326 PolarHBondContact O-N 2.87Å; I323-V327 HydrophobicContact CG2-CG2 4.4Å; I323-V327 VanDerWaalsContact O-CG2 3.31Å; I323-V327 WeakPolarHBondContact O-CG2 3.16Å; I323-V327 PolarHBondContact O-N 2.88Å
324	G	83.9	Confident	80.6	Confident	41 Å²	41	92 Å²	92	42%	0.423	54%	0.539	S	S	.	.	H	α-helix	trans	-59.3	-44.7	176.7	0	0	0	0	0	112.9	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 3.23Å; V321-G324 PolarHBondContact O-N 2.98Å; V322-G324 VanDerWaalsContact C-N 3.34Å; V322-G324 PolarHBondContact O-N 2.8Å; G324-V327 PolarHBondContact O-N 3.21Å; G324-A328 WeakPolarHBondContact O-CB 3.14Å; G324-A328 PolarHBondContact O-N 3.24Å
325	A	82.3	Confident	79.2	Confident	59 Å²	59	99.4 Å²	99.4	49%	0.488	56%	0.561	S	S	.	*	H	α-helix	trans	-64.4	-41.1	177.7	0	0	0	0	0	112.3	V321 V322 I323 A328 A329	V321-A325 WeakPolarHBondContact O-CB 3.49Å; V321-A325 PolarHBondContact O-N 3.41Å; V322-A325 PolarHBondContact O-N 3.08Å; I323-A325 PolarHBondContact O-N 3.41Å; A325-A328 PolarHBondContact O-N 2.64Å; A325-A329 WeakPolarHBondContact O-CB 3.28Å; A325-A329 PolarHBondContact O-N 2.75Å
326	V	83.6	Confident	77.7	Confident	83 Å²	83	98.7 Å²	98.7	50%	0.503	57%	0.566	S	S	.	*	H	α-helix	trans	-64.7	-45.6	176.6	171.8	0	0	0	0	110.9	V322 I323 A328 A329 V330	V322-V326 HydrophobicContact CG1-CG2 4.45Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.34Å; V322-V326 PolarHBondContact O-N 2.86Å; I323-V326 PolarHBondContact O-N 2.87Å; V326-A328 PolarHBondContact O-N 2.94Å; V326-A329 PolarHBondContact O-N 3.47Å; V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.19Å; V326-V330 VanDerWaalsContact O-CG2 3.29Å; V326-V330 WeakPolarHBondContact O-CG2 3.24Å; V326-V330 PolarHBondContact O-N 3.33Å
327	V	81.9	Confident	76	Confident	78 Å²	78	103.7 Å²	103.7	47%	0.473	60%	0.597	S	S	.	*	H	α-helix	trans	-61.5	-45.1	177.3	172.3	0	0	0	0	110.8	I323 G324 A329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.4Å; I323-V327 VanDerWaalsContact O-CG2 3.31Å; I323-V327 WeakPolarHBondContact O-CG2 3.16Å; I323-V327 PolarHBondContact O-N 2.88Å; G324-V327 PolarHBondContact O-N 3.21Å; V327-A329 PolarHBondContact O-N 3.24Å; V327-V330 PolarHBondContact O-N 2.7Å; V327-M331 HydrophobicContact CG1-CG 4.42Å; V327-M331 HydrophobicContact CG1-SD 4.12Å; V327-M331 WeakPolarHBondContact O-CB 3.47Å; V327-M331 WeakPolarHBondContact O-CG 3.41Å; V327-M331 PolarHBondContact O-N 3.39Å
328	A	77.9	Confident	75.5	Confident	52 Å²	52	104.2 Å²	104.2	43%	0.43	60%	0.598	S	S	.	*	H	α-helix	trans	-60.8	-44.6	176.6	0	0	0	0	0	112.1	G324 A325 V326 V330 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.14Å; G324-A328 PolarHBondContact O-N 3.24Å; A325-A328 PolarHBondContact O-N 2.64Å; V326-A328 PolarHBondContact O-N 2.94Å; A328-V330 PolarHBondContact O-N 2.97Å; A328-M331 PolarHBondContact O-N 2.72Å; A328-C332 WeakPolarHBondContact O-CB 3.25Å; A328-C332 PolarHBondContact O-N 2.91Å; A328-C332 PolarHBondContact O-SG 3.17Å
329	A	77.3	Confident	74.9	Confident	56 Å²	56	103.8 Å²	103.8	46%	0.463	60%	0.599	S	S	.	*	H	α-helix	trans	-63.6	-40.8	177.3	0	0	0	0	0	112.6	A325 V326 V327 C332 R333	A325-A329 WeakPolarHBondContact O-CB 3.28Å; A325-A329 PolarHBondContact O-N 2.75Å; V326-A329 PolarHBondContact O-N 3.47Å; V327-A329 PolarHBondContact O-N 3.24Å; A329-C332 PolarHBondContact O-N 2.96Å; A329-R333 PolarHBondContact O-N 2.89Å
330	V	75.3	Confident	74.3	Confident	82 Å²	82	106.9 Å²	106.9	50%	0.497	61%	0.61	S	S	.	*	H	α-helix	trans	-65.9	-41.7	175.8	170.6	0	0	0	0	111	V326 V327 A328 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.4Å; V326-V330 WeakPolarHBondContact O-CB 3.19Å; V326-V330 VanDerWaalsContact O-CG2 3.29Å; V326-V330 WeakPolarHBondContact O-CG2 3.24Å; V326-V330 PolarHBondContact O-N 3.33Å; V327-V330 PolarHBondContact O-N 2.7Å; A328-V330 PolarHBondContact O-N 2.97Å; V330-R333 PolarHBondContact O-N 2.92Å; V330-R334 PolarHBondContact O-N 2.75Å
331	M	73.7	Confident	73.5	Confident	127 Å²	127	107 Å²	107	63%	0.626	61%	0.609	S	S	*	*	H	α-helix	trans	-65.5	-41.6	176.2	-74.2	-175.2	68.6	0	0	112.2	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.42Å; V327-M331 HydrophobicContact CG1-SD 4.12Å; V327-M331 WeakPolarHBondContact O-CB 3.47Å; V327-M331 WeakPolarHBondContact O-CG 3.41Å; V327-M331 PolarHBondContact O-N 3.39Å; A328-M331 PolarHBondContact O-N 2.72Å; M331-R334 PolarHBondContact O-N 3.24Å; M331-K335 PolarHBondContact O-N 3.27Å; M331-K335 VanDerWaalsContact O-N 3.15Å
332	C	69.8	Low	72.7	Confident	91 Å²	91	108 Å²	108	62%	0.615	61%	0.612	S	S	*	*	H	α-helix	trans	-61	-44.4	173.5	-78.4	0	0	0	0	111.5	A328 A329 R334 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.25Å; A328-C332 PolarHBondContact O-N 2.91Å; A328-C332 PolarHBondContact O-SG 3.17Å; A329-C332 PolarHBondContact O-N 2.96Å; C332-R334 PolarHBondContact O-N 3.32Å; C332-K335 PolarHBondContact O-N 3.03Å; C332-S336 PolarHBondContact O-N 2.92Å; C332-S336 PolarHBondContact O-OG 3.08Å; C332-S336 VanDerWaalsContact O-OG 3.1Å
333	R	65.3	Low	71.7	Confident	204 Å²	204	109.8 Å²	109.8	77%	0.77	62%	0.62	S	S	*	*	H	α-helix	trans	-64.4	-35.5	176.5	-81.6	-172.3	169.1	-179.1	-2	113.6	A329 V330 K335 S336	A329-R333 PolarHBondContact O-N 2.89Å; V330-R333 PolarHBondContact O-N 2.92Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 2.71Å; R333-S336 WeakPolarHBondContact CA-OG 3.49Å; R333-S336 PolarHBondContact O-OG 3.17Å
334	R	60.4	Low	70.8	Confident	211 Å²	211	109.8 Å²	109.8	80%	0.796	62%	0.624	S	S	*	*	H	α-helix	trans	-70.7	-22.4	175.5	-103.5	-175.3	168.7	-178.8	-2.8	113.8	V330 M331 C332	V330-R334 PolarHBondContact O-N 2.75Å; M331-R334 PolarHBondContact O-N 3.24Å; C332-R334 PolarHBondContact O-N 3.32Å
335	K	55.4	Low	69.8	Low	193 Å²	193	115.1 Å²	115.1	84%	0.839	64%	0.64	S	S	*	*	H	α-helix	trans	-91.3	-11.4	-179.9	-140.1	176.2	-174.5	-178.1	0	113.1	M331 C332 R333	M331-K335 PolarHBondContact O-N 3.27Å; M331-K335 VanDerWaalsContact O-N 3.15Å; C332-K335 PolarHBondContact O-N 3.03Å; R333-K335 VanDerWaalsContact C-N 3.29Å; R333-K335 PolarHBondContact O-N 2.71Å
336	S	54.4	Low	68.7	Low	99 Å²	99	119.8 Å²	119.8	69%	0.692	65%	0.652	S	S	*	*			trans	-107.1	12.8	179.1	56.7	0	0	0	0	113.8	C332 R333	C332-S336 PolarHBondContact O-N 2.92Å; C332-S336 PolarHBondContact O-OG 3.08Å; C332-S336 VanDerWaalsContact O-OG 3.1Å; R333-S336 WeakPolarHBondContact CA-OG 3.49Å; R333-S336 PolarHBondContact O-OG 3.17Å
337	S	49.8	Very low	67.4	Low	161 Å²	161	123.1 Å²	123.1	100%	1.126	67%	0.666	S	S	*	*			trans	-120.3	0	170.6	-174.4	0	0	0	0	109.9

Retrieved 337 of 337 residues in 185.1 ms (Link to these results)

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