A0A096MMB1_PAPAN Loading...

Folate receptor alpha

AlphaFold DB , UniProt , Accession A0A096MMB1, Species PAPAN (Papio anubis, Olive baboon), Gene FOLR1, Length 257 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	49.9	Very low	53.1	Low	209 Å²	209	122.2 Å²	122.2	100%	1.03	62%	0.623	S	S	*	*				0	-50.2	0	-83.5	-176.7	-88.9	0	0	112.2	Q3 R4 M5	M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 3.26Å; M1-R4 PolarHBondContact O-N 2.75Å; M1-R4 VanDerWaalsContact O-N 3.12Å; M1-M5 PolarHBondContact O-N 2.91Å
2	A	46.4	Very low	53.5	Low	78 Å²	78	121.5 Å²	121.5	65%	0.645	62%	0.621	S	S	*	*	H	α-helix	trans	-52.4	-41.6	179	0	0	0	0	0	115.1	R4 M5 T6	A2-R4 VanDerWaalsContact C-N 3.3Å; A2-R4 PolarHBondContact O-N 3.19Å; A2-M5 PolarHBondContact O-N 3.48Å; A2-T6 PolarHBondContact O-N 3.22Å; A2-T6 PolarHBondContact O-OG1 3Å; A2-T6 VanDerWaalsContact O-OG1 3.14Å
3	Q	47.6	Very low	53.7	Low	166 Å²	166	120.6 Å²	120.6	78%	0.776	62%	0.617	S	S	*	*	H	α-helix	trans	-72.2	-20.9	-177.6	-157.9	155.9	-16	0	0	114.5	M1 T6 T7	M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 3.26Å; Q3-T6 WeakPolarHBondContact CA-OG1 3.43Å; Q3-T6 PolarHBondContact O-OG1 3.12Å; Q3-T7 PolarHBondContact O-OG1 2.79Å
4	R	48.3	Very low	54.1	Low	203 Å²	203	118 Å²	118	77%	0.766	61%	0.61	S	S	*	*	H	α-helix	trans	-82.6	-32.6	173.5	-115.6	-176.9	-179.3	-175.2	0.4	111.4	M1 A2 T7 Q8	M1-R4 PolarHBondContact O-N 2.75Å; M1-R4 VanDerWaalsContact O-N 3.12Å; A2-R4 VanDerWaalsContact C-N 3.3Å; A2-R4 PolarHBondContact O-N 3.19Å; R4-T7 WeakPolarHBondContact CA-OG1 3.4Å; R4-T7 PolarHBondContact O-OG1 3.47Å; R4-T7 VanDerWaalsContact O-OG1 3.13Å; R4-Q8 WeakPolarHBondContact O-CG 3.3Å; R4-Q8 PolarHBondContact O-N 3.44Å
5	M	52.8	Low	54	Low	102 Å²	102	122.7 Å²	122.7	50%	0.502	62%	0.616	S	S	.	*	H	α-helix	trans	-72.4	-39.8	176	-69.7	-172.7	72.1	0	0	111.7	M1 A2 T7 Q8 L9 L256	M1-M5 PolarHBondContact O-N 2.91Å; A2-M5 PolarHBondContact O-N 3.48Å; M5-T7 PolarHBondContact O-N 3.05Å; M5-Q8 PolarHBondContact O-N 2.8Å; M5-L9 WeakPolarHBondContact O-CB 3.33Å; M5-L9 PolarHBondContact O-N 2.86Å; M5-L256 HydrophobicContact CE-CD2 3.86Å
6	T	54.5	Low	54.1	Low	79 Å²	79	121.3 Å²	121.3	49%	0.485	62%	0.616	S	S	.	*	H	α-helix	trans	-65.1	-37.3	176.5	42.2	0	0	0	0	113	A2 Q3 L9 L10	A2-T6 PolarHBondContact O-N 3.22Å; A2-T6 PolarHBondContact O-OG1 3Å; A2-T6 VanDerWaalsContact O-OG1 3.14Å; Q3-T6 WeakPolarHBondContact CA-OG1 3.43Å; Q3-T6 PolarHBondContact O-OG1 3.12Å; T6-L9 PolarHBondContact O-N 2.86Å; T6-L10 WeakPolarHBondContact O-CB 3.35Å; T6-L10 WeakPolarHBondContact O-CD1 3.4Å; T6-L10 WeakPolarHBondContact O-CG 3.12Å; T6-L10 PolarHBondContact O-N 2.98Å
7	T	57.2	Low	54.1	Low	75 Å²	75	117.4 Å²	117.4	46%	0.46	61%	0.607	S	S	.	*	H	α-helix	trans	-69.6	-37.8	175.6	28.7	0	0	0	0	112.5	Q3 R4 M5 L11	Q3-T7 PolarHBondContact O-OG1 2.79Å; R4-T7 WeakPolarHBondContact CA-OG1 3.4Å; R4-T7 PolarHBondContact O-OG1 3.47Å; R4-T7 VanDerWaalsContact O-OG1 3.13Å; M5-T7 PolarHBondContact O-N 3.05Å; T7-L11 WeakPolarHBondContact O-CB 2.83Å; T7-L11 WeakPolarHBondContact O-CD1 3.48Å; T7-L11 VanDerWaalsContact O-CG 3.28Å; T7-L11 WeakPolarHBondContact O-CG 3.39Å; T7-L11 PolarHBondContact O-N 3.07Å; T7-L11 VanDerWaalsContact O-N 3.08Å
8	Q	56.5	Low	53.9	Low	127 Å²	127	115.8 Å²	115.8	59%	0.593	60%	0.603	S	S	*	*	H	α-helix	trans	-68	-37.4	173.2	-76.4	-178.1	-23	0	0	112.8	R4 M5 L11 L12	R4-Q8 WeakPolarHBondContact O-CG 3.3Å; R4-Q8 PolarHBondContact O-N 3.44Å; M5-Q8 PolarHBondContact O-N 2.8Å; Q8-L11 PolarHBondContact O-N 3.1Å; Q8-L12 PolarHBondContact O-N 3.1Å
9	L	56.2	Low	53.6	Low	83 Å²	83	113.8 Å²	113.8	44%	0.435	60%	0.596	S	S	.	*	H	α-helix	trans	-65.4	-42.6	175.8	-132.5	88.7	0	0	0	111.8	M5 T6 L11 L12 L13	M5-L9 WeakPolarHBondContact O-CB 3.33Å; M5-L9 PolarHBondContact O-N 2.86Å; T6-L9 PolarHBondContact O-N 2.86Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L12 PolarHBondContact O-N 3.33Å; L9-L13 WeakPolarHBondContact O-CG 3.14Å; L9-L13 PolarHBondContact O-N 3.08Å
10	L	57.2	Low	53.1	Low	109 Å²	109	110.7 Å²	110.7	57%	0.571	59%	0.593	S	S	*	*	H	α-helix	trans	-63.8	-40.2	176.3	-79.2	161.5	0	0	0	111.6	T6 L13 V14	T6-L10 WeakPolarHBondContact O-CB 3.35Å; T6-L10 WeakPolarHBondContact O-CD1 3.4Å; T6-L10 WeakPolarHBondContact O-CG 3.12Å; T6-L10 PolarHBondContact O-N 2.98Å; L10-L13 PolarHBondContact O-N 3.28Å; L10-V14 WeakPolarHBondContact O-CB 3.14Å; L10-V14 VanDerWaalsContact O-CG2 3.25Å; L10-V14 WeakPolarHBondContact O-CG2 3.49Å; L10-V14 PolarHBondContact O-N 2.04Å
11	L	58.1	Low	52.5	Low	113 Å²	113	112.6 Å²	112.6	59%	0.592	60%	0.598	S	S	*	*	H	α-helix	trans	-67	-36.6	176.1	-74	165.3	0	0	0	112.5	T7 Q8 L9 W15	T7-L11 WeakPolarHBondContact O-CB 2.83Å; T7-L11 WeakPolarHBondContact O-CD1 3.48Å; T7-L11 VanDerWaalsContact O-CG 3.28Å; T7-L11 WeakPolarHBondContact O-CG 3.39Å; T7-L11 PolarHBondContact O-N 3.07Å; T7-L11 VanDerWaalsContact O-N 3.08Å; Q8-L11 PolarHBondContact O-N 3.1Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L11-W15 WeakPolarHBondContact O-CB 3.03Å; L11-W15 PolarHBondContact O-N 3.01Å
12	L	57.7	Low	51.9	Low	114 Å²	114	106.3 Å²	106.3	60%	0.597	58%	0.579	S	S	*	*	H	α-helix	trans	-67	-42.2	173.4	-83.4	159.5	0	0	0	112.1	Q8 L9 W15 V16	Q8-L12 PolarHBondContact O-N 3.1Å; L9-L12 PolarHBondContact O-N 3.33Å; L12-W15 PolarHBondContact O-N 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.34Å; L12-V16 PolarHBondContact O-N 3.14Å
13	L	56.3	Low	51.7	Low	110 Å²	110	110.5 Å²	110.5	58%	0.576	59%	0.586	S	S	*	*	H	α-helix	trans	-65.2	-39.4	176.7	-72.6	167.7	0	0	0	112.2	L9 L10 V16 A17	L9-L13 WeakPolarHBondContact O-CG 3.14Å; L9-L13 PolarHBondContact O-N 3.08Å; L10-L13 PolarHBondContact O-N 3.28Å; L13-V16 PolarHBondContact O-N 2.88Å; L13-A17 WeakPolarHBondContact O-CB 3.39Å; L13-A17 PolarHBondContact O-N 3.46Å
14	V	58.3	Low	51.3	Low	84 Å²	84	108.4 Å²	108.4	51%	0.509	58%	0.584	S	S	.	*	H	α-helix	trans	-66	-39	173.4	172.5	0	0	0	0	110.9	L10 A17 V18	L10-V14 WeakPolarHBondContact O-CB 3.14Å; L10-V14 VanDerWaalsContact O-CG2 3.25Å; L10-V14 WeakPolarHBondContact O-CG2 3.49Å; L10-V14 PolarHBondContact O-N 2.04Å; V14-A17 PolarHBondContact O-N 3.3Å; V14-V18 HydrophobicContact CG1-CG2 4.26Å; V14-V18 WeakPolarHBondContact O-CB 3.44Å; V14-V18 WeakPolarHBondContact O-CG2 3.31Å; V14-V18 PolarHBondContact O-N 3.08Å
15	W	52.5	Low	51.2	Low	188 Å²	188	109.9 Å²	109.9	71%	0.712	59%	0.59	S	S	*	*	H	α-helix	trans	-63.6	-41.8	172.9	-103.4	80.2	0	0	0	112.8	L11 L12 A17 V18 V19	L11-W15 WeakPolarHBondContact O-CB 3.03Å; L11-W15 PolarHBondContact O-N 3.01Å; L12-W15 PolarHBondContact O-N 3.25Å; W15-A17 VanDerWaalsContact C-N 3.33Å; W15-A17 PolarHBondContact O-N 3.47Å; W15-V18 PolarHBondContact O-N 3.44Å; W15-V19 HydrophobicContact CE3-CG2 3.64Å; W15-V19 HydrophobicContact CZ3-CG2 3.99Å; W15-V19 VanDerWaalsContact O-CB 3.27Å; W15-V19 WeakPolarHBondContact O-CB 3.25Å; W15-V19 WeakPolarHBondContact O-CG2 3.46Å; W15-V19 PolarHBondContact O-N 3.33Å
16	V	55.8	Low	50.7	Low	101 Å²	101	111.6 Å²	111.6	61%	0.612	61%	0.606	S	S	*	*	H	α-helix	trans	-65.6	-36.8	176.1	174.9	0	0	0	0	111.3	L12 L13 G20	L12-V16 WeakPolarHBondContact O-CG2 3.34Å; L12-V16 PolarHBondContact O-N 3.14Å; L13-V16 PolarHBondContact O-N 2.88Å; V16-G20 PolarHBondContact O-N 2.95Å
17	A	53.9	Low	50.4	Low	55 Å²	55	112 Å²	112	46%	0.455	62%	0.618	S	S	.	*	H	α-helix	trans	-67	-44.5	174.7	0	0	0	0	0	112.2	L13 V14 W15 G20 E21	L13-A17 WeakPolarHBondContact O-CB 3.39Å; L13-A17 PolarHBondContact O-N 3.46Å; V14-A17 PolarHBondContact O-N 3.3Å; W15-A17 VanDerWaalsContact C-N 3.33Å; W15-A17 PolarHBondContact O-N 3.47Å; A17-G20 PolarHBondContact O-N 2.78Å; A17-E21 WeakPolarHBondContact O-CG 3.46Å; A17-E21 PolarHBondContact O-N 3.41Å
18	V	50.6	Low	50.1	Low	88 Å²	88	118.8 Å²	118.8	53%	0.533	64%	0.635	S	S	.	*	H	α-helix	trans	-72.4	-35.4	-179.2	174.8	0	0	0	0	112.1	V14 W15 A22	V14-V18 HydrophobicContact CG1-CG2 4.26Å; V14-V18 WeakPolarHBondContact O-CB 3.44Å; V14-V18 WeakPolarHBondContact O-CG2 3.31Å; V14-V18 PolarHBondContact O-N 3.08Å; W15-V18 PolarHBondContact O-N 3.44Å; V18-A22 PolarHBondContact O-N 3.21Å
19	V	49.2	Very low	50.3	Low	78 Å²	78	116.9 Å²	116.9	47%	0.473	64%	0.641	S	S	.	*	H	α-helix	trans	-76.2	-30.5	175.1	177.5	0	0	0	0	111.4	W15 E21 A22	W15-V19 HydrophobicContact CE3-CG2 3.64Å; W15-V19 HydrophobicContact CZ3-CG2 3.99Å; W15-V19 VanDerWaalsContact O-CB 3.27Å; W15-V19 WeakPolarHBondContact O-CB 3.25Å; W15-V19 WeakPolarHBondContact O-CG2 3.46Å; W15-V19 PolarHBondContact O-N 3.33Å; V19-E21 VanDerWaalsContact C-N 3.32Å; V19-E21 PolarHBondContact O-N 3.01Å; V19-A22 PolarHBondContact O-N 2.64Å
20	G	43.8	Very low	51	Low	52 Å²	52	116.1 Å²	116.1	54%	0.536	63%	0.632	S	S	.	*	H	α-helix	trans	-65.4	-32.1	172.5	0	0	0	0	0	113.6	V16 A17	V16-G20 PolarHBondContact O-N 2.95Å; A17-G20 PolarHBondContact O-N 2.78Å
21	E	40.8	Very low	51.9	Low	151 Å²	151	117.8 Å²	117.8	71%	0.706	65%	0.647	S	S	*	*	H	α-helix	trans	-83.6	-22.2	177.1	-73.2	179	170	0	0	113.6	A17 V19 Q23	A17-E21 WeakPolarHBondContact O-CG 3.46Å; A17-E21 PolarHBondContact O-N 3.41Å; V19-E21 VanDerWaalsContact C-N 3.32Å; V19-E21 PolarHBondContact O-N 3.01Å; E21-Q23 VanDerWaalsContact C-N 3.32Å; E21-Q23 PolarHBondContact O-N 3.31Å
22	A	37.2	Very low	53.3	Low	77 Å²	77	118.9 Å²	118.9	64%	0.636	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-11.9	-176.5	0	0	0	0	0	114.5	V18 V19	V18-A22 PolarHBondContact O-N 3.21Å; V19-A22 PolarHBondContact O-N 2.64Å
23	Q	42.5	Very low	55.1	Low	166 Å²	166	114.4 Å²	114.4	78%	0.776	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	3.9	-176.6	-157.3	74.5	11.9	0	0	114.4	E21	E21-Q23 VanDerWaalsContact C-N 3.32Å; E21-Q23 PolarHBondContact O-N 3.31Å
24	T	38.8	Very low	57	Low	122 Å²	122	113 Å²	113	75%	0.748	62%	0.619	S	S	*	*			trans	-115.4	41.5	-179.2	44.6	0	0	0	0	113.8
25	R	44.7	Very low	58.9	Low	234 Å²	234	113 Å²	113	88%	0.883	62%	0.616	S	S	*	*			trans	-97.9	85.6	153.1	-82.6	-174.2	178.5	174.4	1.2	108.6
26	T	43.8	Very low	61.1	Low	137 Å²	137	104.6 Å²	104.6	84%	0.84	59%	0.585	S	S	*	*	S	Bend	trans	172.5	132.8	147.7	23.8	0	0	0	0	111.4
27	A	46.8	Very low	63.1	Low	88 Å²	88	100.1 Å²	100.1	73%	0.727	56%	0.558	S	S	*	*			trans	64.8	106.5	178.6	0	0	0	0	0	116.2	A29	A27-A29 PolarHBondContact O-N 3.13Å
28	R	51.7	Low	65.1	Low	217 Å²	217	97.8 Å²	97.8	82%	0.819	54%	0.538	S	S	*	.			trans	-55.8	111	159.2	-179.2	177	-177.3	160.8	0.1	107.2	R30	R28-R30 PolarHBondContact O-N 3.27Å; R28-R30 VanDerWaalsContact O-N 3.1Å
29	A	60.7	Low	67.3	Low	88 Å²	88	98.3 Å²	98.3	73%	0.727	54%	0.538	S	S	*	.			trans	-57.5	118.4	178.5	0	0	0	0	0	109	A27 T31	A27-A29 PolarHBondContact O-N 3.13Å; A29-T31 PolarHBondContact O-N 3.18Å
30	R	71.6	Confident	69.4	Low	66 Å²	66	95 Å²	95	25%	0.249	52%	0.519	C	S	.	.			trans	-69	121.9	175.1	-173.9	177	-177.6	132.9	-2.9	107.9	R28 E32 L33 C37 I117 E127	R28-R30 PolarHBondContact O-N 3.27Å; R28-R30 VanDerWaalsContact O-N 3.1Å; R30-E32 WeakPolarHBondContact CD-O 3.49Å; R30-E32 WeakPolarHBondContact CG-O 3.01Å; R30-E32 PolarHBondContact NE-O 3.5Å; R30-L33 HydrophobicContact CB-CD2 3.96Å; R30-L33 HydrophobicContact CG-CD2 4.13Å; R30-C37 PolarHBondContact NH2-O 3.36Å; R30-I117 VanDerWaalsContact NH1-CG2 3.34Å; R30-E127 IonicContact CZ-OE2 2.76Å; R30-E127 IonicContact NH1-OE1 2.7Å; R30-E127 PolarHBondContact NH1-OE1 2.58Å; R30-E127 IonicContact NH1-OE2 3.57Å; R30-E127 PolarHBondContact NH1-OE2 2.83Å
31	T	75.8	Confident	71.9	Confident	145 Å²	145	97.2 Å²	97.2	89%	0.89	51%	0.514	S	S	*	.	S	Bend	trans	-77.3	-33.1	-179.3	21	0	0	0	0	112.6	A29	A29-T31 PolarHBondContact O-N 3.18Å
32	E	87.3	Confident	74.6	Confident	135 Å²	135	91.6 Å²	91.6	63%	0.631	49%	0.487	S	S	*	.			trans	-104.1	104.2	179.6	-65	180	-175.8	0	0	110.9	R30 V36	R30-E32 WeakPolarHBondContact CD-O 3.49Å; R30-E32 WeakPolarHBondContact CG-O 3.01Å; R30-E32 PolarHBondContact NE-O 3.5Å; E32-V36 HydrophobicContact CB-CG1 3.88Å
33	L	94.7	Very high	77.5	Confident	20 Å²	20	89.2 Å²	89.2	11%	0.105	46%	0.463	C	S	.	.			trans	-105.3	-15.6	-177.8	-58.5	-179.7	0	0	0	113.7	R30 G114 P115 A230 M233	R30-L33 HydrophobicContact CB-CD2 3.96Å; R30-L33 HydrophobicContact CG-CD2 4.13Å; L33-G114 VanDerWaalsContact O-CA 3.23Å; L33-G114 WeakPolarHBondContact O-CA 3.37Å; L33-P115 HydrophobicContact CB-CG 4.47Å; L33-P115 WeakPolarHBondContact O-CD 3.49Å; L33-A230 HydrophobicContact CB-CB 3.94Å; L33-A230 HydrophobicContact CD1-CB 4.06Å; L33-M233 HydrophobicContact CD1-CB 4.31Å; L33-M233 HydrophobicContact CD1-CE 4.46Å; L33-M233 HydrophobicContact CD1-SD 4.18Å
34	L	97.5	Very high	80.2	Confident	82 Å²	82	84.1 Å²	84.1	43%	0.429	44%	0.438	S	S	.	.	S	Bend	trans	-110.6	135.7	-173.8	-61.1	-179.5	0	0	0	110.5	V36 A226 R227 A230	L34-V36 WeakPolarHBondContact O-CG1 3.47Å; L34-A226 HydrophobicContact CD2-CB 3.96Å; L34-A226 WeakPolarHBondContact CD2-O 3.46Å; L34-R227 HydrophobicContact CD1-CG 4.04Å; L34-R227 HydrophobicContact CD2-CG 4.2Å; L34-A230 HydrophobicContact CD1-CB 4.48Å; L34-A230 HydrophobicContact CD2-CB 3.63Å; L34-A230 HydrophobicContact CG-CB 4Å
35	N	98	Very high	83	Confident	83 Å²	83	86.3 Å²	86.3	44%	0.444	44%	0.44	S	S	.	.	S	Bend	trans	54.8	54.4	177.2	-168.3	40.6	0	0	0	112.5	P47 N63 P111	N35-P47 WeakPolarHBondContact O-CG 3.47Å; N35-P47 WeakPolarHBondContact OD1-CG 3.29Å; N35-N63 PolarHBondContact OD1-ND2 2.98Å; N35-P111 VanDerWaalsContact CA-O 3.3Å; N35-P111 WeakPolarHBondContact CA-O 3.32Å; N35-P111 PolarHBondContact N-O 2.94Å
36	V	98	Very high	85.5	Confident	12 Å²	12	82 Å²	82	7%	0.073	43%	0.427	C	S	.	.			trans	-132.2	155.6	-176.9	-66.1	0	0	0	0	111	E32 L34 P111 I117	E32-V36 HydrophobicContact CB-CG1 3.88Å; L34-V36 WeakPolarHBondContact O-CG1 3.47Å; V36-P111 PolarHBondContact N-O 3.01Å; V36-P111 VanDerWaalsContact N-O 3.15Å; V36-P111 CarbonylContact O-C 3.33Å; V36-P111 WeakPolarHBondContact O-CA 3.37Å; V36-I117 HydrophobicContact CG2-CD1 4.23Å
37	C	98.3	Very high	88.1	Confident	7 Å²	7	76.7 Å²	76.7	5%	0.047	40%	0.396	C	S	.	.			trans	-102.7	148.2	170.6	-55.8	0	0	0	0	110.4	R30 H43 K44 P47 C65	R30-C37 PolarHBondContact NH2-O 3.36Å; C37-H43 HydrophobicContact CB-CB 4.5Å; C37-K44 WeakPolarHBondContact CB-O 3.24Å; C37-P47 VanDerWaalsContact SG-CD 3.52Å; C37-C65 WeakPolarHBondContact CA-SG 3.42Å; C37-C65 HydrophobicContact CB-CB 3.78Å; C37-C65 WeakPolarHBondContact CB-SG 3.35Å; C37-C65 WeakPolarHBondContact SG-CA 3.21Å; C37-C65 WeakPolarHBondContact SG-CB 3.2Å; C37-C65 CovalentContact SG-SG 2.03Å; C37-C65 PolarHBondContact SG-SG 2.84Å
38	M	96.2	Very high	90.6	Very high	5 Å²	5	73.2 Å²	73.2	3%	0.025	37%	0.368	C	S	.	.			trans	-81.8	148.5	171.8	75.7	-172.4	82.4	0	0	110.1	A40 H43 Y107 L113 I117 E127 V129	M38-A40 VanDerWaalsContact C-N 3.25Å; M38-A40 HydrophobicContact CG-CB 3.8Å; M38-A40 PolarHBondContact O-N 2.94Å; M38-A40 HydrophobicContact SD-CB 4.13Å; M38-H43 WeakPolarHBondContact O-CB 3.43Å; M38-H43 VanDerWaalsContact O-CG 3.31Å; M38-Y107 HydrophobicContact CE-CD2 4.25Å; M38-Y107 HydrophobicContact CE-CE2 4.14Å; M38-Y107 HydrophobicContact SD-CD2 4.47Å; M38-Y107 HydrophobicContact SD-CE2 3.78Å; M38-L113 HydrophobicContact CE-CD1 4.13Å; M38-I117 HydrophobicContact CB-CD1 3.6Å; M38-I117 HydrophobicContact CB-CG1 3.95Å; M38-I117 HydrophobicContact CB-CG2 3.99Å; M38-E127 WeakPolarHBondContact CA-OE2 3.18Å; M38-E127 HydrophobicContact CB-CB 4.2Å; M38-V129 HydrophobicContact CE-CG1 3.44Å; M38-V129 VanDerWaalsContact CE-CG1 3.44Å; M38-V129 HydrophobicContact SD-CG1 4.15Å
39	N	95.3	Very high	92.8	Very high	99 Å²	99	67.4 Å²	67.4	53%	0.529	36%	0.359	S	S	.	.			trans	-80.1	73.7	171.9	-171.1	-5.4	0	0	0	111.1	K126 E127	N39-K126 HydrophobicContact CB-CB 4.36Å; N39-K126 PolarHBondContact O-N 3.46Å; N39-E127 HydrophobicContact CB-CB 4.41Å; N39-E127 HydrophobicContact CB-CG 4.11Å; N39-E127 PolarHBondContact N-OE2 2.77Å; N39-E127 PolarHBondContact O-N 3.23Å
40	A	95	Very high	94.5	Very high	9 Å²	9	64.9 Å²	64.9	7%	0.074	33%	0.332	C	S	.	.	S	Bend	trans	-112.4	-169.9	171.4	0	0	0	0	0	111.2	M38 H42 H43 R125	M38-A40 VanDerWaalsContact C-N 3.25Å; M38-A40 HydrophobicContact CG-CB 3.8Å; M38-A40 PolarHBondContact O-N 2.94Å; M38-A40 HydrophobicContact SD-CB 4.13Å; A40-H42 PolarHBondContact O-N 3.24Å; A40-H43 WeakPolarHBondContact CB-ND1 3.12Å; A40-R125 HydrophobicContact CB-CB 4.01Å
41	K	96.1	Very high	95.6	Very high	98 Å²	98	67.6 Å²	67.6	43%	0.426	35%	0.351	S	S	.	.	S	Bend	trans	-64.6	-36.5	-162.4	-168.9	178.1	173.1	-169.1	0	114.5	L81 Y82 W124	K41-L81 PolarHBondContact NZ-O 3.24Å; K41-Y82 HydrophobicContact CB-CE1 4.23Å; K41-Y82 HydrophobicContact CD-CD1 4.17Å; K41-Y82 HydrophobicContact CD-CE1 3.81Å; K41-W124 HydrophobicContact CB-CE3 4.27Å
42	H	97.5	Very high	96.6	Very high	34 Å²	34	68.4 Å²	68.4	16%	0.157	34%	0.342	C	S	.	.	S	Bend	trans	-128.4	8.2	-170.3	-59	-69.8	0	0	0	114	A40 T70 Y80 L81 Y82	A40-H42 PolarHBondContact O-N 3.24Å; H42-T70 HydrophobicContact CB-CG2 4.29Å; H42-Y80 AromaticContact CE1-CE1 3.88Å; H42-L81 VanDerWaalsContact NE2-CA 3.32Å; H42-L81 WeakPolarHBondContact NE2-CA 3.19Å; H42-L81 PolarHBondContact NE2-O 2.73Å; H42-Y82 AromaticContact CD2-CZ 3.96Å
43	H	98.4	Very high	97.1	Very high	27 Å²	27	62.1 Å²	62.1	13%	0.125	31%	0.313	C	S	.	.			trans	-74.9	143	176.8	-68.5	70.6	0	0	0	110.9	C37 M38 A40 Y107 E108	C37-H43 HydrophobicContact CB-CB 4.5Å; M38-H43 WeakPolarHBondContact O-CB 3.43Å; M38-H43 VanDerWaalsContact O-CG 3.31Å; A40-H43 WeakPolarHBondContact CB-ND1 3.12Å; H43-Y107 AromaticContact CE1-CE1 3.76Å; H43-Y107 PolarHBondContact CE1-O 3.44Å; H43-Y107 PolarHBondContact NE2-O 2.99Å; H43-E108 PolarHBondContact CD2-O 3.08Å; H43-E108 IonicContact CE1-OE2 3.97Å; H43-E108 PolarHBondContact CE1-OE2 3.27Å; H43-E108 IonicContact ND1-OE2 2.93Å; H43-E108 PolarHBondContact ND1-OE2 3.39Å; H43-E108 PolarHBondContact NE2-O 3.38Å; H43-E108 IonicContact NE2-OE2 2.84Å
44	K	98.4	Very high	97.2	Very high	58 Å²	58	64 Å²	64	25%	0.252	32%	0.322	S	S	.	.			trans	-67.5	161.4	161.3	-62.8	-176	-62.2	-172	0	109.7	C37 E50 A64 C65 C66	C37-K44 WeakPolarHBondContact CB-O 3.24Å; K44-E50 IonicContact NZ-OE1 2.76Å; K44-E50 PolarHBondContact NZ-OE1 3.45Å; K44-A64 WeakPolarHBondContact CE-O 3.1Å; K44-A64 PolarHBondContact NZ-O 3.07Å; K44-C65 WeakPolarHBondContact CB-O 3.41Å; K44-C65 WeakPolarHBondContact CG-O 3.01Å; K44-C65 PolarHBondContact N-O 3.35Å; K44-C66 VanDerWaalsContact CE-O 3.31Å; K44-C66 WeakPolarHBondContact CE-O 3.27Å; K44-C66 PolarHBondContact NZ-O 3.24Å
45	E	97.1	Very high	97.2	Very high	168 Å²	168	65.4 Å²	65.4	79%	0.785	33%	0.326	S	S	*	.	S	Bend	trans	-64.9	-40.8	176.1	-168.8	-172.6	154.5	0	0	112
46	K	97.6	Very high	97.2	Very high	143 Å²	143	63.3 Å²	63.3	62%	0.622	31%	0.313	S	S	*	.	S	Bend	trans	-136.2	153.1	-178.4	-65.7	-177.6	-177.3	179.5	0	111.4
47	P	98.3	Very high	97.2	Very high	26 Å²	26	62.8 Å²	62.8	17%	0.169	31%	0.31	C	S	.	.			trans	-63.8	153.3	175.1	-21.9	34.7	0	0	0	112	N35 C37 N63 A64 P111	N35-P47 WeakPolarHBondContact O-CG 3.47Å; N35-P47 WeakPolarHBondContact OD1-CG 3.29Å; C37-P47 VanDerWaalsContact SG-CD 3.52Å; P47-N63 WeakPolarHBondContact CB-OD1 3.26Å; P47-A64 WeakPolarHBondContact CA-O 3.29Å; P47-P111 HydrophobicContact CB-CB 3.73Å; P47-P111 HydrophobicContact CG-CB 3.45Å; P47-P111 VanDerWaalsContact CG-CB 3.45Å
48	G	98.4	Very high	97.2	Very high	15 Å²	15	69.2 Å²	69.2	16%	0.155	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-171.4	170.3	168.7	0	0	0	0	0	112.2	N63 A64	G48-N63 PolarHBondContact N-OD1 3.07Å; G48-A64 PolarHBondContact N-O 3.43Å; G48-A64 VanDerWaalsContact N-O 3.08Å; G48-A64 PolarHBondContact O-N 3.33Å
49	P	98.2	Very high	97.4	Very high	96 Å²	96	69.6 Å²	69.6	62%	0.623	34%	0.336	S	S	*	.			trans	-60.4	141.9	179.4	-21.8	32.8	0	0	0	112.9	K61	P49-K61 WeakPolarHBondContact CA-O 3.48Å
50	E	97.8	Very high	97.5	Very high	35 Å²	35	65 Å²	65	16%	0.164	31%	0.311	C	S	.	.			trans	-141.5	79.9	177.3	-71.1	-77.8	167.2	0	0	109.4	K44 K52 L53 K61 A64 C66 T68	K44-E50 IonicContact NZ-OE1 2.76Å; K44-E50 PolarHBondContact NZ-OE1 3.45Å; E50-K52 PolarHBondContact O-N 3.27Å; E50-L53 HydrophobicContact CB-CD1 4.13Å; E50-L53 HydrophobicContact CB-CD2 3.64Å; E50-L53 HydrophobicContact CB-CG 3.63Å; E50-L53 HydrophobicContact CG-CD2 4.19Å; E50-L53 WeakPolarHBondContact O-CG 3.4Å; E50-L53 PolarHBondContact O-N 3Å; E50-K61 PolarHBondContact N-O 3.32Å; E50-K61 WeakPolarHBondContact O-CG 3.38Å; E50-A64 HydrophobicContact CB-CB 4.43Å; E50-A64 HydrophobicContact CG-CB 4.18Å; E50-C66 WeakPolarHBondContact CG-O 3.48Å; E50-T68 PolarHBondContact OE2-N 2.85Å; E50-T68 PolarHBondContact OE2-OG1 2.95Å
51	D	93.3	Very high	97.7	Very high	122 Å²	122	67.7 Å²	67.7	65%	0.652	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-11.6	-172.2	-64	-44.3	0	0	0	114.8	K61	D51-K61 WeakPolarHBondContact O-CD 3.03Å; D51-K61 WeakPolarHBondContact O-CE 3.04Å; D51-K61 PolarHBondContact O-NZ 3.28Å
52	K	96.8	Very high	97.7	Very high	162 Å²	162	71.2 Å²	71.2	70%	0.704	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	14.1	-175.6	-62.1	-178.4	-176.5	178.2	0	113.9	E50 H54 T68	E50-K52 PolarHBondContact O-N 3.27Å; K52-H54 PolarHBondContact O-N 3.48Å; K52-T68 HydrophobicContact CB-CG2 3.82Å; K52-T68 WeakPolarHBondContact CB-OG1 3.42Å
53	L	97.7	Very high	97.8	Very high	3 Å²	3	71.6 Å²	71.6	2%	0.016	34%	0.34	C	S	.	.			trans	-56.1	133.6	173.6	-62.9	-175.8	0	0	0	111.7	E50 C57 R58 W60 K61 A64 C66	E50-L53 HydrophobicContact CB-CD1 4.13Å; E50-L53 HydrophobicContact CB-CD2 3.64Å; E50-L53 HydrophobicContact CB-CG 3.63Å; E50-L53 HydrophobicContact CG-CD2 4.19Å; E50-L53 WeakPolarHBondContact O-CG 3.4Å; E50-L53 PolarHBondContact O-N 3Å; L53-C57 HydrophobicContact CB-CB 4.26Å; L53-C57 WeakPolarHBondContact CB-O 3.37Å; L53-C57 VanDerWaalsContact CD1-O 3.24Å; L53-C57 WeakPolarHBondContact CD1-O 3.35Å; L53-R58 WeakPolarHBondContact O-CG 3.07Å; L53-W60 HydrophobicContact CD1-CB 3.82Å; L53-K61 HydrophobicContact CB-CG 4Å; L53-K61 HydrophobicContact CD1-CG 4.48Å; L53-K61 HydrophobicContact CG-CG 4.35Å; L53-K61 WeakPolarHBondContact O-CE 3.38Å; L53-A64 HydrophobicContact CD1-CB 3.87Å; L53-C66 VanDerWaalsContact CD2-SG 3.59Å
54	H	97.4	Very high	97.8	Very high	61 Å²	61	70.3 Å²	70.3	28%	0.282	33%	0.334	S	S	.	.			trans	-78.4	137.4	-172.5	-167.9	63.4	0	0	0	111.9	K52 Q56 C57 S71 Q72 H75	K52-H54 PolarHBondContact O-N 3.48Å; H54-Q56 PolarHBondContact O-N 3.39Å; H54-Q56 VanDerWaalsContact O-N 3.08Å; H54-C57 WeakPolarHBondContact O-CA 3.28Å; H54-C57 WeakPolarHBondContact O-CB 3.07Å; H54-C57 PolarHBondContact O-N 2.04Å; H54-S71 PolarHBondContact N-OG 3.01Å; H54-Q72 HydrophobicContact CB-CG 3.91Å; H54-H75 AromaticContact CD2-CD2 3.88Å; H54-H75 AromaticContact CD2-CE1 3.9Å; H54-H75 AromaticContact CD2-CG 3.61Å; H54-H75 AromaticContact CD2-ND1 3.6Å
55	E	97.3	Very high	97.8	Very high	110 Å²	110	67.5 Å²	67.5	51%	0.514	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	31.1	-101.4	169.1	-65.5	-178.7	-178.9	0	0	116.7	C57 R58 H75	E55-C57 PolarHBondContact O-N 3.39Å; E55-R58 WeakPolarHBondContact O-CB 3.38Å; E55-R58 VanDerWaalsContact O-CD 3.29Å; E55-R58 WeakPolarHBondContact O-CD 3.1Å; E55-R58 WeakPolarHBondContact O-CG 3.33Å; E55-R58 PolarHBondContact O-N 3.18Å; E55-R58 VanDerWaalsContact O-N 3.08Å; E55-H75 WeakPolarHBondContact CB-NE2 3.5Å; E55-H75 IonicContact OE2-CD2 3.45Å
56	Q	98.3	Very high	97.9	Very high	40 Å²	40	59.5 Å²	59.5	19%	0.187	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-71.8	-17.8	-173	-60.5	-175.3	66.9	0	0	112.8	H54 R58 P59 W60 H75 R98 I101 Q102	H54-Q56 PolarHBondContact O-N 3.39Å; H54-Q56 VanDerWaalsContact O-N 3.08Å; Q56-R58 VanDerWaalsContact C-N 3.32Å; Q56-P59 WeakPolarHBondContact O-CD 3.01Å; Q56-W60 WeakPolarHBondContact O-CZ3 3.04Å; Q56-H75 WeakPolarHBondContact CB-NE2 3.44Å; Q56-H75 PolarHBondContact N-NE2 3.24Å; Q56-R98 PolarHBondContact OE1-O 3.47Å; Q56-I101 HydrophobicContact CB-CG2 3.99Å; Q56-I101 HydrophobicContact CG-CG2 4.33Å; Q56-Q102 HydrophobicContact CB-CG 4.45Å
57	C	98.6	Very high	97.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-86	0.6	173.3	-56.6	0	0	0	0	113.2	L53 H54 E55 P59 W60 C105	L53-C57 HydrophobicContact CB-CB 4.26Å; L53-C57 WeakPolarHBondContact CB-O 3.37Å; L53-C57 VanDerWaalsContact CD1-O 3.24Å; L53-C57 WeakPolarHBondContact CD1-O 3.35Å; H54-C57 WeakPolarHBondContact O-CA 3.28Å; H54-C57 WeakPolarHBondContact O-CB 3.07Å; H54-C57 PolarHBondContact O-N 2.04Å; E55-C57 PolarHBondContact O-N 3.39Å; C57-P59 VanDerWaalsContact C-N 3.29Å; C57-W60 HydrophobicContact CB-CE3 4.31Å; C57-W60 PolarHBondContact O-N 3.24Å; C57-C105 WeakPolarHBondContact CA-SG 3.4Å; C57-C105 HydrophobicContact CB-CB 3.87Å; C57-C105 WeakPolarHBondContact CB-SG 3.12Å; C57-C105 PolarHBondContact N-SG 3.36Å; C57-C105 WeakPolarHBondContact SG-CB 3.37Å; C57-C105 CovalentContact SG-SG 2.04Å; C57-C105 PolarHBondContact SG-SG 3.42Å
58	R	98.4	Very high	97.9	Very high	143 Å²	143	55 Å²	55	54%	0.54	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-55.3	-31.1	176.2	-72.4	174.3	178	-154.9	4.3	115.3	L53 E55 Q56 W60 K61	L53-R58 WeakPolarHBondContact O-CG 3.07Å; E55-R58 WeakPolarHBondContact O-CB 3.38Å; E55-R58 VanDerWaalsContact O-CD 3.29Å; E55-R58 WeakPolarHBondContact O-CD 3.1Å; E55-R58 WeakPolarHBondContact O-CG 3.33Å; E55-R58 PolarHBondContact O-N 3.18Å; E55-R58 VanDerWaalsContact O-N 3.08Å; Q56-R58 VanDerWaalsContact C-N 3.32Å; R58-W60 PolarHBondContact O-N 3.44Å; R58-W60 VanDerWaalsContact O-N 3.07Å; R58-K61 VanDerWaalsContact O-CG 3.3Å; R58-K61 WeakPolarHBondContact O-CG 3.49Å; R58-K61 PolarHBondContact O-N 3.23Å; R58-K61 VanDerWaalsContact O-N 3.17Å
59	P	98.6	Very high	97.9	Very high	12 Å²	12	58.1 Å²	58.1	8%	0.078	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-57.5	-24.8	-179.5	-28.3	36.9	0	0	0	114.7	Q56 C57 F214	Q56-P59 WeakPolarHBondContact O-CD 3.01Å; C57-P59 VanDerWaalsContact C-N 3.29Å; P59-F214 HydrophobicContact CB-CD1 4.33Å; P59-F214 HydrophobicContact CB-CD2 4.07Å; P59-F214 HydrophobicContact CB-CE1 3.89Å; P59-F214 HydrophobicContact CB-CE2 3.61Å; P59-F214 HydrophobicContact CB-CG 4.41Å; P59-F214 HydrophobicContact CB-CZ 3.51Å; P59-F214 WeakPolarHBondContact CG-O 3.4Å
60	W	98.7	Very high	97.9	Very high	3 Å²	3	53.9 Å²	53.9	1%	0.011	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-93.1	3.8	-177.6	-61.5	-86.2	0	0	0	114.8	L53 Q56 C57 R58 K62 N63 A64 C105 L106 C109 M212 F214	L53-W60 HydrophobicContact CD1-CB 3.82Å; Q56-W60 WeakPolarHBondContact O-CZ3 3.04Å; C57-W60 HydrophobicContact CB-CE3 4.31Å; C57-W60 PolarHBondContact O-N 3.24Å; R58-W60 PolarHBondContact O-N 3.44Å; R58-W60 VanDerWaalsContact O-N 3.07Å; W60-K62 VanDerWaalsContact C-N 3.26Å; W60-K62 PolarHBondContact O-N 3.35Å; W60-K62 VanDerWaalsContact O-N 3.09Å; W60-N63 CarbonylContact O-C 3.17Å; W60-N63 PolarHBondContact O-N 2.03Å; W60-A64 HydrophobicContact CB-CB 3.98Å; W60-A64 WeakPolarHBondContact O-CB 3.45Å; W60-C105 HydrophobicContact CE3-CB 3.9Å; W60-C105 HydrophobicContact CH2-CB 3.59Å; W60-C105 HydrophobicContact CZ3-CB 3.2Å; W60-L106 HydrophobicContact CH2-CB 4.38Å; W60-L106 HydrophobicContact CZ2-CB 3.99Å; W60-L106 HydrophobicContact CZ2-CD1 4.02Å; W60-C109 HydrophobicContact CB-CB 3.9Å; W60-C109 HydrophobicContact CD2-CB 3.99Å; W60-C109 HydrophobicContact CE3-CB 4.38Å; W60-C109 HydrophobicContact CG-CB 3.77Å; W60-M212 VanDerWaalsContact CH2-O 3.25Å; W60-M212 WeakPolarHBondContact CH2-O 3.44Å; W60-F214 HydrophobicContact CZ2-CE1 4.22Å
61	K	98.1	Very high	98	Very high	65 Å²	65	52.2 Å²	52.2	28%	0.283	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-39.8	-173.6	-79.9	-174	170.2	-165.9	0	114.9	P49 E50 D51 L53 R58 N63	P49-K61 WeakPolarHBondContact CA-O 3.48Å; E50-K61 PolarHBondContact N-O 3.32Å; E50-K61 WeakPolarHBondContact O-CG 3.38Å; D51-K61 WeakPolarHBondContact O-CD 3.03Å; D51-K61 WeakPolarHBondContact O-CE 3.04Å; D51-K61 PolarHBondContact O-NZ 3.28Å; L53-K61 HydrophobicContact CB-CG 4Å; L53-K61 HydrophobicContact CD1-CG 4.48Å; L53-K61 HydrophobicContact CG-CG 4.35Å; L53-K61 WeakPolarHBondContact O-CE 3.38Å; R58-K61 VanDerWaalsContact O-CG 3.3Å; R58-K61 WeakPolarHBondContact O-CG 3.49Å; R58-K61 PolarHBondContact O-N 3.23Å; R58-K61 VanDerWaalsContact O-N 3.17Å; K61-N63 VanDerWaalsContact C-N 3.27Å; K61-N63 PolarHBondContact O-N 2.87Å
62	K	97.6	Very high	98.2	Very high	172 Å²	172	50.3 Å²	50.3	75%	0.748	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-31.7	-178.3	-71	-175.9	177.4	176.9	0	112.5	W60	W60-K62 VanDerWaalsContact C-N 3.26Å; W60-K62 PolarHBondContact O-N 3.35Å; W60-K62 VanDerWaalsContact O-N 3.09Å
63	N	98.4	Very high	98.3	Very high	42 Å²	42	43.6 Å²	43.6	23%	0.225	21%	0.206	C	C	.	.	S	Bend	trans	-163.8	106.8	-175.5	-168.4	29.8	0	0	0	110.7	N35 P47 G48 W60 K61	N35-N63 PolarHBondContact OD1-ND2 2.98Å; P47-N63 WeakPolarHBondContact CB-OD1 3.26Å; G48-N63 PolarHBondContact N-OD1 3.07Å; W60-N63 CarbonylContact O-C 3.17Å; W60-N63 PolarHBondContact O-N 2.03Å; K61-N63 VanDerWaalsContact C-N 3.27Å; K61-N63 PolarHBondContact O-N 2.87Å
64	A	98.7	Very high	98.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-136.2	152	-174.4	0	0	0	0	0	113.4	K44 P47 G48 E50 L53 W60 C109	K44-A64 WeakPolarHBondContact CE-O 3.1Å; K44-A64 PolarHBondContact NZ-O 3.07Å; P47-A64 WeakPolarHBondContact CA-O 3.29Å; G48-A64 PolarHBondContact N-O 3.43Å; G48-A64 VanDerWaalsContact N-O 3.08Å; G48-A64 PolarHBondContact O-N 3.33Å; E50-A64 HydrophobicContact CB-CB 4.43Å; E50-A64 HydrophobicContact CG-CB 4.18Å; L53-A64 HydrophobicContact CD1-CB 3.87Å; W60-A64 HydrophobicContact CB-CB 3.98Å; W60-A64 WeakPolarHBondContact O-CB 3.45Å; A64-C109 CarbonylContact C-O 3.58Å; A64-C109 WeakPolarHBondContact CA-O 3.27Å; A64-C109 HydrophobicContact CB-CB 4.24Å
65	C	98.8	Very high	98.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-90.8	-12	170.6	-72.1	0	0	0	0	114.6	C37 K44 E108 C109	C37-C65 WeakPolarHBondContact CA-SG 3.42Å; C37-C65 HydrophobicContact CB-CB 3.78Å; C37-C65 WeakPolarHBondContact CB-SG 3.35Å; C37-C65 WeakPolarHBondContact SG-CA 3.21Å; C37-C65 WeakPolarHBondContact SG-CB 3.2Å; C37-C65 CovalentContact SG-SG 2.03Å; C37-C65 PolarHBondContact SG-SG 2.84Å; K44-C65 WeakPolarHBondContact CB-O 3.41Å; K44-C65 WeakPolarHBondContact CG-O 3.01Å; K44-C65 PolarHBondContact N-O 3.35Å; C65-E108 CarbonylContact C-O 3.58Å; C65-E108 WeakPolarHBondContact CB-O 3.47Å; C65-C109 PolarHBondContact N-O 2.88Å
66	C	98.7	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-95.9	166.7	178.8	66.2	0	0	0	0	110.9	K44 E50 L53 T70 E108 C109	K44-C66 VanDerWaalsContact CE-O 3.31Å; K44-C66 WeakPolarHBondContact CE-O 3.27Å; K44-C66 PolarHBondContact NZ-O 3.24Å; E50-C66 WeakPolarHBondContact CG-O 3.48Å; L53-C66 VanDerWaalsContact CD2-SG 3.59Å; C66-T70 HydrophobicContact CB-CG2 3.91Å; C66-E108 HydrophobicContact CB-CB 4.05Å; C66-E108 WeakPolarHBondContact CB-O 3.25Å; C66-E108 PolarHBondContact N-O 3.45Å; C66-C109 HydrophobicContact CB-CB 3.88Å; C66-C109 WeakPolarHBondContact CB-SG 3.25Å; C66-C109 WeakPolarHBondContact SG-CB 3.17Å; C66-C109 CovalentContact SG-SG 2.03Å; C66-C109 PolarHBondContact SG-SG 3.25Å
67	S	98.5	Very high	98.1	Very high	38 Å²	38	43.1 Å²	43.1	27%	0.266	21%	0.205	S	C	.	.			trans	-96.1	166.2	169.8	73.7	0	0	0	0	111.6	N69 T70 S71	S67-N69 VanDerWaalsContact C-N 3.28Å; S67-N69 PolarHBondContact O-N 3.41Å; S67-N69 PolarHBondContact OG-N 3.5Å; S67-T70 PolarHBondContact N-OG1 2.78Å; S67-T70 WeakPolarHBondContact O-CB 3.2Å; S67-T70 PolarHBondContact O-N 2.03Å; S67-T70 PolarHBondContact OG-N 3.04Å; S67-T70 VanDerWaalsContact OG-N 3.07Å; S67-T70 PolarHBondContact OG-OG1 3.01Å; S67-S71 PolarHBondContact O-N 3.12Å
68	T	98.1	Very high	97.9	Very high	36 Å²	36	45.5 Å²	45.5	22%	0.221	22%	0.22	C	C	.	.	H	α-helix	trans	-52.2	-44.7	168	-63.1	0	0	0	0	112.5	E50 K52 T70 S71 Q72	E50-T68 PolarHBondContact OE2-N 2.85Å; E50-T68 PolarHBondContact OE2-OG1 2.95Å; K52-T68 HydrophobicContact CB-CG2 3.82Å; K52-T68 WeakPolarHBondContact CB-OG1 3.42Å; T68-T70 PolarHBondContact O-N 3.48Å; T68-S71 PolarHBondContact O-N 2.85Å; T68-S71 PolarHBondContact O-OG 2.79Å; T68-Q72 WeakPolarHBondContact O-CG 3.09Å; T68-Q72 PolarHBondContact O-N 3.08Å; T68-Q72 VanDerWaalsContact O-N 3.13Å
69	N	98.2	Very high	97.7	Very high	80 Å²	80	39.3 Å²	39.3	43%	0.428	20%	0.198	S	C	.	.	H	α-helix	trans	-61.4	-46.6	177.9	-177.8	32.4	0	0	0	111.4	S67 S71 Q72 E73	S67-N69 VanDerWaalsContact C-N 3.28Å; S67-N69 PolarHBondContact O-N 3.41Å; S67-N69 PolarHBondContact OG-N 3.5Å; N69-S71 VanDerWaalsContact C-N 3.25Å; N69-S71 PolarHBondContact O-N 3.15Å; N69-Q72 PolarHBondContact O-N 2.58Å; N69-Q72 VanDerWaalsContact O-N 3.11Å; N69-E73 WeakPolarHBondContact O-CG 3.15Å; N69-E73 PolarHBondContact O-N 3.15Å
70	T	98.4	Very high	97.3	Very high	8 Å²	8	46 Å²	46	5%	0.049	22%	0.223	C	C	.	.	H	α-helix	trans	-54.7	-44.1	176.8	-51	0	0	0	0	111.2	H42 C66 S67 T68 Q72 E73 A74 L81 E108	H42-T70 HydrophobicContact CB-CG2 4.29Å; C66-T70 HydrophobicContact CB-CG2 3.91Å; S67-T70 PolarHBondContact N-OG1 2.78Å; S67-T70 WeakPolarHBondContact O-CB 3.2Å; S67-T70 PolarHBondContact O-N 2.03Å; S67-T70 PolarHBondContact OG-N 3.04Å; S67-T70 VanDerWaalsContact OG-N 3.07Å; S67-T70 PolarHBondContact OG-OG1 3.01Å; T68-T70 PolarHBondContact O-N 3.48Å; T70-Q72 PolarHBondContact O-N 3.05Å; T70-E73 PolarHBondContact O-N 2.99Å; T70-A74 PolarHBondContact O-N 3.02Å; T70-L81 HydrophobicContact CG2-CD1 4.46Å; T70-L81 HydrophobicContact CG2-CD2 3.81Å; T70-E108 HydrophobicContact CG2-CB 3.86Å; T70-E108 HydrophobicContact CG2-CG 3.99Å
71	S	98.5	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.9	-34.8	179.5	75	0	0	0	0	113.9	H54 S67 T68 N69 H75	H54-S71 PolarHBondContact N-OG 3.01Å; S67-S71 PolarHBondContact O-N 3.12Å; T68-S71 PolarHBondContact O-N 2.85Å; T68-S71 PolarHBondContact O-OG 2.79Å; N69-S71 VanDerWaalsContact C-N 3.25Å; N69-S71 PolarHBondContact O-N 3.15Å; S71-H75 PolarHBondContact O-CE1 3.09Å; S71-H75 PolarHBondContact O-ND1 3.22Å
72	Q	98.4	Very high	97	Very high	82 Å²	82	45.7 Å²	45.7	38%	0.383	22%	0.221	S	C	.	.	H	α-helix	trans	-69.7	-44.3	175.3	-69.5	173.8	-17.7	0	0	110.7	H54 T68 N69 T70 A74 H75	H54-Q72 HydrophobicContact CB-CG 3.91Å; T68-Q72 WeakPolarHBondContact O-CG 3.09Å; T68-Q72 PolarHBondContact O-N 3.08Å; T68-Q72 VanDerWaalsContact O-N 3.13Å; N69-Q72 PolarHBondContact O-N 2.58Å; N69-Q72 VanDerWaalsContact O-N 3.11Å; T70-Q72 PolarHBondContact O-N 3.05Å; Q72-A74 VanDerWaalsContact C-N 3.27Å; Q72-A74 PolarHBondContact O-N 3.2Å; Q72-H75 PolarHBondContact O-N 2.73Å
73	E	98.4	Very high	97	Very high	21 Å²	21	44.7 Å²	44.7	10%	0.098	21%	0.212	C	C	.	.	H	α-helix	trans	-66.5	-27.5	178.4	-68.2	-61.8	129.2	0	0	112.6	N69 T70 H75 K76 S79 Y80 L81	N69-E73 WeakPolarHBondContact O-CG 3.15Å; N69-E73 PolarHBondContact O-N 3.15Å; T70-E73 PolarHBondContact O-N 2.99Å; E73-H75 PolarHBondContact O-N 2.85Å; E73-H75 VanDerWaalsContact O-N 3.1Å; E73-K76 PolarHBondContact O-N 3.24Å; E73-K76 VanDerWaalsContact O-N 3.17Å; E73-K76 WeakPolarHBondContact OE1-CD 3.33Å; E73-K76 WeakPolarHBondContact OE1-CE 3.29Å; E73-K76 IonicContact OE1-NZ 2.85Å; E73-K76 PolarHBondContact OE1-NZ 2.9Å; E73-S79 WeakPolarHBondContact O-CB 3.11Å; E73-S79 PolarHBondContact O-OG 3.4Å; E73-S79 VanDerWaalsContact O-OG 3.12Å; E73-S79 WeakPolarHBondContact OE2-CB 3.23Å; E73-Y80 WeakPolarHBondContact OE2-CB 3.42Å; E73-Y80 PolarHBondContact OE2-N 3.32Å; E73-L81 HydrophobicContact CB-CD1 4.34Å; E73-L81 HydrophobicContact CB-CD2 3.98Å; E73-L81 HydrophobicContact CB-CG 3.8Å
74	A	98	Very high	96.9	Very high	5 Å²	5	43.4 Å²	43.4	4%	0.041	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.1	173.6	0	0	0	0	0	113.3	T70 Q72 L81 T104	T70-A74 PolarHBondContact O-N 3.02Å; Q72-A74 VanDerWaalsContact C-N 3.27Å; Q72-A74 PolarHBondContact O-N 3.2Å; A74-L81 HydrophobicContact CB-CD1 4.31Å; A74-T104 HydrophobicContact CB-CG2 3.65Å
75	H	98.1	Very high	96.9	Very high	27 Å²	27	44.4 Å²	44.4	13%	0.125	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-6.8	-177.2	-62.9	66.2	0	0	0	113.3	H54 E55 Q56 S71 Q72 E73 I101	H54-H75 AromaticContact CD2-CD2 3.88Å; H54-H75 AromaticContact CD2-CE1 3.9Å; H54-H75 AromaticContact CD2-CG 3.61Å; H54-H75 AromaticContact CD2-ND1 3.6Å; E55-H75 WeakPolarHBondContact CB-NE2 3.5Å; E55-H75 IonicContact OE2-CD2 3.45Å; Q56-H75 WeakPolarHBondContact CB-NE2 3.44Å; Q56-H75 PolarHBondContact N-NE2 3.24Å; S71-H75 PolarHBondContact O-CE1 3.09Å; S71-H75 PolarHBondContact O-ND1 3.22Å; Q72-H75 PolarHBondContact O-N 2.73Å; E73-H75 PolarHBondContact O-N 2.85Å; E73-H75 VanDerWaalsContact O-N 3.1Å; H75-I101 WeakPolarHBondContact NE2-CG2 3.42Å
76	K	96.8	Very high	96.9	Very high	103 Å²	103	45.1 Å²	45.1	45%	0.448	21%	0.213	S	C	.	.	S	Bend	trans	-93.8	146.6	-177.1	-63.8	-178.3	-172.2	170.6	0	111.8	E73	E73-K76 PolarHBondContact O-N 3.24Å; E73-K76 VanDerWaalsContact O-N 3.17Å; E73-K76 WeakPolarHBondContact OE1-CD 3.33Å; E73-K76 WeakPolarHBondContact OE1-CE 3.29Å; E73-K76 IonicContact OE1-NZ 2.85Å; E73-K76 PolarHBondContact OE1-NZ 2.9Å
77	D	93.9	Very high	96.9	Very high	68 Å²	68	47.3 Å²	47.3	36%	0.364	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	140	167.8	-72.1	-46.3	0	0	0	110.6	S79 K97	D77-S79 PolarHBondContact O-N 2.95Å; D77-K97 WeakPolarHBondContact OD1-CE 3.16Å; D77-K97 IonicContact OD1-NZ 2.73Å; D77-K97 PolarHBondContact OD1-NZ 2.88Å; D77-K97 IonicContact OD2-NZ 3.85Å; D77-K97 PolarHBondContact OD2-NZ 3.38Å
78	V	94.2	Very high	96.9	Very high	51 Å²	51	46.4 Å²	46.4	31%	0.309	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	41.1	-180	-164.3	0	0	0	0	110.9	R83 F84 N85 F166	V78-R83 HydrophobicContact CG1-CB 4.12Å; V78-F84 VanDerWaalsContact CA-O 3.23Å; V78-F84 WeakPolarHBondContact CA-O 3.49Å; V78-F84 PolarHBondContact N-O 2.77Å; V78-N85 HydrophobicContact CG2-CB 3.94Å; V78-F166 HydrophobicContact CG1-CB 3.45Å; V78-F166 VanDerWaalsContact CG1-CB 3.45Å; V78-F166 HydrophobicContact CG1-CD1 4.24Å; V78-F166 HydrophobicContact CG1-CG 4.03Å; V78-F166 HydrophobicContact CG2-CB 4.47Å
79	S	93.9	Very high	96.9	Very high	13 Å²	13	45.8 Å²	45.8	9%	0.091	21%	0.213	C	C	.	.			trans	-65.5	163.9	-170.6	78.2	0	0	0	0	113.4	E73 D77 L81 Y82 R83	E73-S79 WeakPolarHBondContact O-CB 3.11Å; E73-S79 PolarHBondContact O-OG 3.4Å; E73-S79 VanDerWaalsContact O-OG 3.12Å; E73-S79 WeakPolarHBondContact OE2-CB 3.23Å; D77-S79 PolarHBondContact O-N 2.95Å; S79-L81 PolarHBondContact O-N 2.87Å; S79-L81 PolarHBondContact OG-N 3.38Å; S79-Y82 PolarHBondContact O-N 3.2Å; S79-R83 WeakPolarHBondContact O-CA 3.46Å; S79-R83 PolarHBondContact O-N 3.26Å
80	Y	91.9	Very high	96.9	Very high	151 Å²	151	44.2 Å²	44.2	59%	0.592	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-25	176.8	173.2	-97.7	0	0	0	113.2	H42 E73 Y82	H42-Y80 AromaticContact CE1-CE1 3.88Å; E73-Y80 WeakPolarHBondContact OE2-CB 3.42Å; E73-Y80 PolarHBondContact OE2-N 3.32Å; Y80-Y82 PolarHBondContact O-N 3.41Å
81	L	93.7	Very high	96.9	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-57.3	-176.2	-57.9	-177.6	0	0	0	111.2	K41 H42 T70 E73 A74 S79 T104	K41-L81 PolarHBondContact NZ-O 3.24Å; H42-L81 VanDerWaalsContact NE2-CA 3.32Å; H42-L81 WeakPolarHBondContact NE2-CA 3.19Å; H42-L81 PolarHBondContact NE2-O 2.73Å; T70-L81 HydrophobicContact CG2-CD1 4.46Å; T70-L81 HydrophobicContact CG2-CD2 3.81Å; E73-L81 HydrophobicContact CB-CD1 4.34Å; E73-L81 HydrophobicContact CB-CD2 3.98Å; E73-L81 HydrophobicContact CB-CG 3.8Å; A74-L81 HydrophobicContact CB-CD1 4.31Å; S79-L81 PolarHBondContact O-N 2.87Å; S79-L81 PolarHBondContact OG-N 3.38Å; L81-T104 HydrophobicContact CD1-CG2 3.75Å
82	Y	95.4	Very high	96.9	Very high	59 Å²	59	52.1 Å²	52.1	23%	0.231	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.5	1.5	-172.6	-57.8	-69.6	0	0	0	113.6	K41 H42 S79 Y80 F84 E108 W124	K41-Y82 HydrophobicContact CB-CE1 4.23Å; K41-Y82 HydrophobicContact CD-CD1 4.17Å; K41-Y82 HydrophobicContact CD-CE1 3.81Å; H42-Y82 AromaticContact CD2-CZ 3.96Å; S79-Y82 PolarHBondContact O-N 3.2Å; Y80-Y82 PolarHBondContact O-N 3.41Å; Y82-F84 PolarHBondContact O-N 2.04Å; Y82-E108 VanDerWaalsContact CE2-OE1 3.23Å; Y82-E108 WeakPolarHBondContact CE2-OE1 3.48Å; Y82-E108 VanDerWaalsContact CZ-OE1 3.26Å; Y82-E108 PolarHBondContact OH-OE1 2.95Å; Y82-W124 HydrophobicContact CE1-CE3 4.09Å; Y82-W124 AromaticContact CE1-CZ3 3.73Å; Y82-W124 HydrophobicContact CE1-CZ3 3.73Å
83	R	97.1	Very high	96.9	Very high	151 Å²	151	49.3 Å²	49.3	57%	0.57	24%	0.243	S	C	*	.			trans	49.4	37.9	-169.4	-58.5	-171.6	178.8	-155.4	-0.9	111.6	V78 S79 G165 F166	V78-R83 HydrophobicContact CG1-CB 4.12Å; S79-R83 WeakPolarHBondContact O-CA 3.46Å; S79-R83 PolarHBondContact O-N 3.26Å; R83-G165 WeakPolarHBondContact CB-O 3.29Å; R83-G165 WeakPolarHBondContact CD-O 3.01Å; R83-F166 WeakPolarHBondContact O-CA 3.2Å; R83-F166 VanDerWaalsContact O-CB 3.23Å; R83-F166 WeakPolarHBondContact O-CB 3.48Å
84	F	98	Very high	97	Very high	15 Å²	15	53 Å²	53	7%	0.066	27%	0.269	C	S	.	.			trans	-84.8	124.8	-174.7	-160.7	-84.3	0	0	0	110.4	V78 Y82 W86 W156 W160 W162 N167 W193	V78-F84 VanDerWaalsContact CA-O 3.23Å; V78-F84 WeakPolarHBondContact CA-O 3.49Å; V78-F84 PolarHBondContact N-O 2.77Å; Y82-F84 PolarHBondContact O-N 2.04Å; F84-W86 AromaticContact CD1-CD2 3.85Å; F84-W86 HydrophobicContact CD1-CD2 3.85Å; F84-W86 AromaticContact CD1-CE3 3.47Å; F84-W86 HydrophobicContact CD1-CE3 3.47Å; F84-W86 VanDerWaalsContact CD1-CE3 3.47Å; F84-W86 AromaticContact CD1-CH2 3.87Å; F84-W86 HydrophobicContact CD1-CH2 3.87Å; F84-W86 HydrophobicContact CD1-CZ2 4.22Å; F84-W86 AromaticContact CD1-CZ3 3.47Å; F84-W86 HydrophobicContact CD1-CZ3 3.47Å; F84-W86 VanDerWaalsContact CD1-CZ3 3.47Å; F84-W86 HydrophobicContact CE1-CD2 4.3Å; F84-W86 AromaticContact CE1-CE3 3.5Å; F84-W86 HydrophobicContact CE1-CE3 3.5Å; F84-W86 HydrophobicContact CE1-CH2 4.28Å; F84-W86 AromaticContact CE1-CZ3 3.48Å; F84-W86 HydrophobicContact CE1-CZ3 3.48Å; F84-W86 VanDerWaalsContact CE1-CZ3 3.48Å; F84-W86 HydrophobicContact CG-CH2 4.48Å; F84-W86 HydrophobicContact CG-CZ3 4.43Å; F84-W86 HydrophobicContact CZ-CZ3 4.44Å; F84-W156 AromaticContact CE1-CE3 3.6Å; F84-W156 HydrophobicContact CE1-CE3 3.6Å; F84-W156 AromaticContact CE1-CZ3 3.83Å; F84-W156 HydrophobicContact CE1-CZ3 3.83Å; F84-W156 HydrophobicContact CZ-CB 4.22Å; F84-W156 HydrophobicContact CZ-CD2 4.01Å; F84-W156 AromaticContact CZ-CE3 3.43Å; F84-W156 HydrophobicContact CZ-CE3 3.43Å; F84-W156 VanDerWaalsContact CZ-CE3 3.43Å; F84-W156 HydrophobicContact CZ-CG 4.38Å; F84-W156 HydrophobicContact CZ-CZ3 4.14Å; F84-W160 HydrophobicContact CE2-CZ2 4.2Å; F84-W160 AromaticContact CE2-NE1 3.75Å; F84-W160 HydrophobicContact CZ-CH2 4.45Å; F84-W160 AromaticContact CZ-CZ2 3.7Å; F84-W160 HydrophobicContact CZ-CZ2 3.7Å; F84-W162 HydrophobicContact CD2-CH2 4.34Å; F84-N167 VanDerWaalsContact CA-OD1 3.23Å; F84-N167 WeakPolarHBondContact CA-OD1 3.16Å; F84-N167 WeakPolarHBondContact CZ-ND2 3.44Å; F84-W193 HydrophobicContact CE2-CH2 4.29Å; F84-W193 HydrophobicContact CE2-CZ3 4.47Å; F84-W193 HydrophobicContact CZ-CH2 4.24Å
85	N	98.4	Very high	97	Very high	21 Å²	21	54.8 Å²	54.8	11%	0.112	28%	0.284	C	S	.	.			trans	-91.4	105.4	175.7	-177.4	20.7	0	0	0	110.1	V78 N87 H88 F166 N167	V78-N85 HydrophobicContact CG2-CB 3.94Å; N85-N87 PolarHBondContact O-N 2.95Å; N85-N87 WeakPolarHBondContact OD1-CA 3.18Å; N85-N87 WeakPolarHBondContact OD1-CB 3.2Å; N85-N87 PolarHBondContact OD1-N 3.37Å; N85-H88 PolarHBondContact O-ND1 3.23Å; N85-F166 HydrophobicContact CB-CD2 4.04Å; N85-N167 PolarHBondContact N-OD1 3.39Å; N85-N167 PolarHBondContact O-ND2 2.95Å
86	W	98.5	Very high	97	Very high	16 Å²	16	53.5 Å²	53.5	6%	0.061	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-29.8	171	-55.3	119.1	0	0	0	111.6	F84 H88 M92 F100 W156 W193	F84-W86 AromaticContact CD1-CD2 3.85Å; F84-W86 HydrophobicContact CD1-CD2 3.85Å; F84-W86 AromaticContact CD1-CE3 3.47Å; F84-W86 HydrophobicContact CD1-CE3 3.47Å; F84-W86 VanDerWaalsContact CD1-CE3 3.47Å; F84-W86 AromaticContact CD1-CH2 3.87Å; F84-W86 HydrophobicContact CD1-CH2 3.87Å; F84-W86 HydrophobicContact CD1-CZ2 4.22Å; F84-W86 AromaticContact CD1-CZ3 3.47Å; F84-W86 HydrophobicContact CD1-CZ3 3.47Å; F84-W86 VanDerWaalsContact CD1-CZ3 3.47Å; F84-W86 HydrophobicContact CE1-CD2 4.3Å; F84-W86 AromaticContact CE1-CE3 3.5Å; F84-W86 HydrophobicContact CE1-CE3 3.5Å; F84-W86 HydrophobicContact CE1-CH2 4.28Å; F84-W86 AromaticContact CE1-CZ3 3.48Å; F84-W86 HydrophobicContact CE1-CZ3 3.48Å; F84-W86 VanDerWaalsContact CE1-CZ3 3.48Å; F84-W86 HydrophobicContact CG-CH2 4.48Å; F84-W86 HydrophobicContact CG-CZ3 4.43Å; F84-W86 HydrophobicContact CZ-CZ3 4.44Å; W86-H88 VanDerWaalsContact C-N 3.31Å; W86-H88 PolarHBondContact O-N 3.3Å; W86-H88 PolarHBondContact O-ND1 3.44Å; W86-M92 HydrophobicContact CB-CE 4.07Å; W86-M92 HydrophobicContact CB-SD 4.05Å; W86-M92 WeakPolarHBondContact O-CE 3.42Å; W86-F100 HydrophobicContact CD2-CB 4.37Å; W86-F100 HydrophobicContact CE3-CB 4.11Å; W86-F100 AromaticContact CE3-CD1 3.86Å; W86-F100 HydrophobicContact CE3-CD1 3.86Å; W86-F100 HydrophobicContact CE3-CD2 4.46Å; W86-F100 HydrophobicContact CE3-CE1 4.34Å; W86-F100 AromaticContact CE3-CG 3.9Å; W86-F100 HydrophobicContact CE3-CG 3.9Å; W86-F100 HydrophobicContact CH2-CB 3.99Å; W86-F100 AromaticContact CH2-CD1 3.82Å; W86-F100 HydrophobicContact CH2-CD1 3.82Å; W86-F100 HydrophobicContact CH2-CG 4.23Å; W86-F100 HydrophobicContact CZ2-CB 4.22Å; W86-F100 HydrophobicContact CZ3-CB 3.94Å; W86-F100 AromaticContact CZ3-CD1 3.26Å; W86-F100 HydrophobicContact CZ3-CD1 3.26Å; W86-F100 AromaticContact CZ3-CE1 3.81Å; W86-F100 HydrophobicContact CZ3-CE1 3.81Å; W86-F100 AromaticContact CZ3-CG 3.72Å; W86-F100 HydrophobicContact CZ3-CG 3.72Å; W86-W156 AromaticContact CE3-CZ3 3.84Å; W86-W156 HydrophobicContact CE3-CZ3 3.84Å; W86-W156 HydrophobicContact CZ3-CE3 4.19Å; W86-W156 AromaticContact CZ3-CZ3 3.85Å; W86-W156 HydrophobicContact CZ3-CZ3 3.85Å; W86-W193 HydrophobicContact CH2-CH2 4.28Å; W86-W193 HydrophobicContact CH2-CZ2 4.1Å; W86-W193 HydrophobicContact CZ3-CH2 4.2Å; W86-W193 HydrophobicContact CZ3-CZ2 4.09Å
87	N	98.6	Very high	97.1	Very high	45 Å²	45	50.2 Å²	50.2	24%	0.241	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	35.2	-175	-54.9	-42	0	0	0	113.3	N85 C89 G90 M92	N85-N87 PolarHBondContact O-N 2.95Å; N85-N87 WeakPolarHBondContact OD1-CA 3.18Å; N85-N87 WeakPolarHBondContact OD1-CB 3.2Å; N85-N87 PolarHBondContact OD1-N 3.37Å; N87-C89 PolarHBondContact O-N 3.31Å; N87-G90 CarbonylContact C-O 3.28Å; N87-G90 VanDerWaalsContact C-O 3.28Å; N87-G90 WeakPolarHBondContact CA-O 3.44Å; N87-G90 VanDerWaalsContact CB-O 3.28Å; N87-G90 WeakPolarHBondContact CB-O 3.3Å; N87-G90 PolarHBondContact O-N 3.12Å; N87-M92 WeakPolarHBondContact OD1-CB 3.43Å; N87-M92 PolarHBondContact OD1-N 3.44Å
88	H	98.6	Very high	97.4	Very high	19 Å²	19	50.9 Å²	50.9	9%	0.088	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.3	-174.6	54.8	-90.9	0	0	0	114.1	N85 W86 T151 W156 W160	N85-H88 PolarHBondContact O-ND1 3.23Å; W86-H88 VanDerWaalsContact C-N 3.31Å; W86-H88 PolarHBondContact O-N 3.3Å; W86-H88 PolarHBondContact O-ND1 3.44Å; H88-T151 PolarHBondContact NE2-OG1 3.15Å; H88-W156 AromaticContact CE1-CE2 3.98Å; H88-W156 AromaticContact CE1-CH2 3.42Å; H88-W156 VanDerWaalsContact CE1-CH2 3.42Å; H88-W156 WeakPolarHBondContact CE1-CH2 3.04Å; H88-W156 AromaticContact CE1-CZ2 3.41Å; H88-W156 VanDerWaalsContact CE1-CZ2 3.41Å; H88-W156 WeakPolarHBondContact CE1-CZ2 3.45Å; H88-W156 AromaticContact CE1-CZ3 3.99Å; H88-W156 AromaticContact NE2-CZ2 3.68Å; H88-W160 HydrophobicContact CB-CZ3 4.07Å; H88-W160 AromaticContact CD2-CH2 3.63Å; H88-W160 AromaticContact CD2-CZ3 3.75Å; H88-W160 AromaticContact CE1-CH2 3.74Å; H88-W160 AromaticContact CG-CH2 3.71Å; H88-W160 AromaticContact CG-CZ3 3.71Å; H88-W160 AromaticContact ND1-CH2 3.76Å; H88-W160 AromaticContact NE2-CH2 3.64Å
89	C	98.6	Very high	97.6	Very high	23 Å²	23	48.7 Å²	48.7	16%	0.155	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	32.5	174.6	-80.8	0	0	0	0	112.6	N87 C169 C175	N87-C89 PolarHBondContact O-N 3.31Å; C89-C169 VanDerWaalsContact SG-SG 3.6Å; C89-C175 WeakPolarHBondContact CA-SG 3.06Å; C89-C175 HydrophobicContact CB-CB 3.67Å; C89-C175 WeakPolarHBondContact CB-SG 3.41Å; C89-C175 VanDerWaalsContact SG-CA 3.55Å; C89-C175 WeakPolarHBondContact SG-CB 3.26Å; C89-C175 CovalentContact SG-SG 2.04Å; C89-C175 PolarHBondContact SG-SG 2.91Å
90	G	97.8	Very high	97.8	Very high	47 Å²	47	48 Å²	48	49%	0.485	24%	0.243	S	C	.	.	S	Bend	trans	100.2	-178.6	-169.9	0	0	0	0	0	111.6	N87 M92	N87-G90 CarbonylContact C-O 3.28Å; N87-G90 VanDerWaalsContact C-O 3.28Å; N87-G90 WeakPolarHBondContact CA-O 3.44Å; N87-G90 VanDerWaalsContact CB-O 3.28Å; N87-G90 WeakPolarHBondContact CB-O 3.3Å; N87-G90 PolarHBondContact O-N 3.12Å; G90-M92 PolarHBondContact O-N 3.16Å
91	E	98.4	Very high	98.1	Very high	167 Å²	167	41.4 Å²	41.4	78%	0.78	22%	0.217	S	C	*	.	P	Polyproline II helix	trans	-63.3	121.7	-177.7	-170.1	177	171.3	0	0	111.2
92	M	98.8	Very high	98.4	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.034	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-74.2	130.6	173.2	179.8	-179.4	-76.1	0	0	109.3	W86 N87 G90 C96 K97 F100 W156	W86-M92 HydrophobicContact CB-CE 4.07Å; W86-M92 HydrophobicContact CB-SD 4.05Å; W86-M92 WeakPolarHBondContact O-CE 3.42Å; N87-M92 WeakPolarHBondContact OD1-CB 3.43Å; N87-M92 PolarHBondContact OD1-N 3.44Å; G90-M92 PolarHBondContact O-N 3.16Å; M92-C96 HydrophobicContact CG-CB 3.96Å; M92-C96 HydrophobicContact SD-CB 4.34Å; M92-K97 HydrophobicContact CG-CB 4.15Å; M92-K97 HydrophobicContact SD-CB 3.8Å; M92-K97 HydrophobicContact SD-CG 4.28Å; M92-F100 HydrophobicContact CE-CD2 3.93Å; M92-F100 HydrophobicContact CE-CE2 3.6Å; M92-F100 HydrophobicContact CE-CZ 4.28Å; M92-F100 HydrophobicContact SD-CD2 3.65Å; M92-F100 HydrophobicContact SD-CE2 3.87Å; M92-W156 HydrophobicContact CE-CH2 3.81Å; M92-W156 HydrophobicContact CE-CZ3 4.31Å
93	A	98.7	Very high	98.5	Very high	23 Å²	23	39.8 Å²	39.8	19%	0.19	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-55.5	134.9	178.5	0	0	0	0	0	110.7	A95 C96 K97 S149	A93-A95 PolarHBondContact O-N 2.75Å; A93-A95 VanDerWaalsContact O-N 3.15Å; A93-C96 HydrophobicContact CB-CB 4.41Å; A93-C96 WeakPolarHBondContact O-CA 3.47Å; A93-C96 WeakPolarHBondContact O-CB 3.33Å; A93-C96 PolarHBondContact O-N 3.35Å; A93-K97 PolarHBondContact O-N 3.01Å; A93-S149 PolarHBondContact N-OG 3.48Å; A93-S149 VanDerWaalsContact N-OG 3.13Å
94	P	98.7	Very high	98.6	Very high	99 Å²	99	33.2 Å²	33.2	64%	0.643	19%	0.189	S	C	*	.	H	α-helix	trans	-55.6	-35.6	-179.1	-29.2	35.7	0	0	0	113.8	C96 K97 R98	P94-C96 VanDerWaalsContact C-N 3.29Å; P94-C96 PolarHBondContact O-N 2.87Å; P94-K97 PolarHBondContact O-N 2.76Å; P94-R98 PolarHBondContact O-N 2.86Å
95	A	98.8	Very high	98.7	Very high	43 Å²	43	32.5 Å²	32.5	36%	0.355	19%	0.185	S	C	.	.	H	α-helix	trans	-61.4	-35.5	175.1	0	0	0	0	0	112.7	A93 R98 H99 D145	A93-A95 PolarHBondContact O-N 2.75Å; A93-A95 VanDerWaalsContact O-N 3.15Å; A95-R98 VanDerWaalsContact O-CD 3.29Å; A95-R98 WeakPolarHBondContact O-CD 3.18Å; A95-R98 WeakPolarHBondContact O-CG 3.35Å; A95-R98 PolarHBondContact O-NE 2.77Å; A95-H99 PolarHBondContact O-CD2 3.34Å; A95-H99 VanDerWaalsContact O-CD2 3.22Å; A95-D145 HydrophobicContact CB-CB 4.18Å; A95-D145 WeakPolarHBondContact O-CB 3.27Å
96	C	98.9	Very high	98.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-75.5	-46.8	173.9	-180	0	0	0	0	111.2	M92 A93 P94 R98 H99 D145 C146 S149	M92-C96 HydrophobicContact CG-CB 3.96Å; M92-C96 HydrophobicContact SD-CB 4.34Å; A93-C96 HydrophobicContact CB-CB 4.41Å; A93-C96 WeakPolarHBondContact O-CA 3.47Å; A93-C96 WeakPolarHBondContact O-CB 3.33Å; A93-C96 PolarHBondContact O-N 3.35Å; P94-C96 VanDerWaalsContact C-N 3.29Å; P94-C96 PolarHBondContact O-N 2.87Å; C96-R98 VanDerWaalsContact C-N 3.25Å; C96-R98 PolarHBondContact O-N 2.96Å; C96-H99 PolarHBondContact O-N 3.03Å; C96-H99 VanDerWaalsContact O-N 3.09Å; C96-D145 WeakPolarHBondContact CB-O 3.43Å; C96-C146 VanDerWaalsContact CA-SG 3.53Å; C96-C146 HydrophobicContact CB-CB 3.92Å; C96-C146 WeakPolarHBondContact CB-SG 3.41Å; C96-C146 VanDerWaalsContact SG-CA 3.5Å; C96-C146 WeakPolarHBondContact SG-CB 3.34Å; C96-C146 CovalentContact SG-SG 2.04Å; C96-C146 PolarHBondContact SG-SG 3.12Å; C96-S149 WeakPolarHBondContact CB-OG 3.33Å
97	K	98.8	Very high	98.7	Very high	34 Å²	34	31.8 Å²	31.8	15%	0.148	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-33.9	-177	-171.6	176.2	170.1	-175.7	0	112.5	D77 M92 A93 P94 H99 F100 I101	D77-K97 WeakPolarHBondContact OD1-CE 3.16Å; D77-K97 IonicContact OD1-NZ 2.73Å; D77-K97 PolarHBondContact OD1-NZ 2.88Å; D77-K97 IonicContact OD2-NZ 3.85Å; D77-K97 PolarHBondContact OD2-NZ 3.38Å; M92-K97 HydrophobicContact CG-CB 4.15Å; M92-K97 HydrophobicContact SD-CB 3.8Å; M92-K97 HydrophobicContact SD-CG 4.28Å; A93-K97 PolarHBondContact O-N 3.01Å; P94-K97 PolarHBondContact O-N 2.76Å; K97-H99 PolarHBondContact O-N 2.86Å; K97-F100 PolarHBondContact O-N 3.48Å; K97-F100 VanDerWaalsContact O-N 3.15Å; K97-I101 HydrophobicContact CG-CD1 4.28Å; K97-I101 WeakPolarHBondContact O-CG1 3.23Å; K97-I101 PolarHBondContact O-N 2.8Å
98	R	98.8	Very high	98.7	Very high	82 Å²	82	29.8 Å²	29.8	31%	0.309	17%	0.17	S	C	.	.	H	α-helix	trans	-54.3	-39.6	175.9	86.3	-163.4	173.8	89.7	-15.7	112.2	Q56 P94 A95 C96 I101 Q102 D145	Q56-R98 PolarHBondContact OE1-O 3.47Å; P94-R98 PolarHBondContact O-N 2.86Å; A95-R98 VanDerWaalsContact O-CD 3.29Å; A95-R98 WeakPolarHBondContact O-CD 3.18Å; A95-R98 WeakPolarHBondContact O-CG 3.35Å; A95-R98 PolarHBondContact O-NE 2.77Å; C96-R98 VanDerWaalsContact C-N 3.25Å; C96-R98 PolarHBondContact O-N 2.96Å; R98-I101 WeakPolarHBondContact O-CB 3.11Å; R98-I101 PolarHBondContact O-N 2.82Å; R98-Q102 WeakPolarHBondContact O-CG 3.38Å; R98-Q102 PolarHBondContact O-N 2.98Å; R98-D145 IonicContact CZ-OD2 2.78Å; R98-D145 IonicContact NE-OD2 3.6Å; R98-D145 PolarHBondContact NE-OD2 2.93Å; R98-D145 IonicContact NH2-OD2 3.83Å; R98-D145 PolarHBondContact NH2-OD2 2.96Å
99	H	98.9	Very high	98.7	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.019	17%	0.167	C	C	.	.	H	α-helix	trans	-69.9	-38	-179.3	-69.1	-75.1	0	0	0	111.9	A95 C96 K97 I101 Q102 D103 Q141 W142 D145 M212	A95-H99 PolarHBondContact O-CD2 3.34Å; A95-H99 VanDerWaalsContact O-CD2 3.22Å; C96-H99 PolarHBondContact O-N 3.03Å; C96-H99 VanDerWaalsContact O-N 3.09Å; K97-H99 PolarHBondContact O-N 2.86Å; H99-I101 VanDerWaalsContact C-N 3.29Å; H99-I101 PolarHBondContact O-N 3.22Å; H99-Q102 PolarHBondContact O-N 3.4Å; H99-D103 VanDerWaalsContact O-CB 3.31Å; H99-D103 WeakPolarHBondContact O-CB 3.48Å; H99-D103 PolarHBondContact O-N 3.2Å; H99-Q141 PolarHBondContact NE2-O 3.47Å; H99-W142 HydrophobicContact CB-CB 4Å; H99-W142 HydrophobicContact CB-CD2 4.06Å; H99-W142 HydrophobicContact CB-CG 3.53Å; H99-W142 AromaticContact CG-CD1 3.77Å; H99-W142 AromaticContact CG-CG 3.87Å; H99-D145 IonicContact CD2-OD2 3.18Å; H99-D145 IonicContact CE1-OD2 2.91Å; H99-D145 IonicContact NE2-OD2 2.68Å; H99-D145 PolarHBondContact NE2-OD2 3.48Å; H99-M212 HydrophobicContact CB-CE 4.44Å; H99-M212 VanDerWaalsContact O-CE 3.3Å; H99-M212 WeakPolarHBondContact O-CE 3.33Å
100	F	98.8	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.2	-34.1	172.3	-75.2	-77.3	0	0	0	112.8	W86 M92 K97 T104 W142 W156 F178 I192 W193	W86-F100 HydrophobicContact CD2-CB 4.37Å; W86-F100 HydrophobicContact CE3-CB 4.11Å; W86-F100 AromaticContact CE3-CD1 3.86Å; W86-F100 HydrophobicContact CE3-CD1 3.86Å; W86-F100 HydrophobicContact CE3-CD2 4.46Å; W86-F100 HydrophobicContact CE3-CE1 4.34Å; W86-F100 AromaticContact CE3-CG 3.9Å; W86-F100 HydrophobicContact CE3-CG 3.9Å; W86-F100 HydrophobicContact CH2-CB 3.99Å; W86-F100 AromaticContact CH2-CD1 3.82Å; W86-F100 HydrophobicContact CH2-CD1 3.82Å; W86-F100 HydrophobicContact CH2-CG 4.23Å; W86-F100 HydrophobicContact CZ2-CB 4.22Å; W86-F100 HydrophobicContact CZ3-CB 3.94Å; W86-F100 AromaticContact CZ3-CD1 3.26Å; W86-F100 HydrophobicContact CZ3-CD1 3.26Å; W86-F100 AromaticContact CZ3-CE1 3.81Å; W86-F100 HydrophobicContact CZ3-CE1 3.81Å; W86-F100 AromaticContact CZ3-CG 3.72Å; W86-F100 HydrophobicContact CZ3-CG 3.72Å; M92-F100 HydrophobicContact CE-CD2 3.93Å; M92-F100 HydrophobicContact CE-CE2 3.6Å; M92-F100 HydrophobicContact CE-CZ 4.28Å; M92-F100 HydrophobicContact SD-CD2 3.65Å; M92-F100 HydrophobicContact SD-CE2 3.87Å; K97-F100 PolarHBondContact O-N 3.48Å; K97-F100 VanDerWaalsContact O-N 3.15Å; F100-T104 WeakPolarHBondContact O-CB 3.46Å; F100-T104 PolarHBondContact O-N 3.27Å; F100-T104 PolarHBondContact O-OG1 3Å; F100-W142 AromaticContact CD1-CZ2 3.77Å; F100-W142 HydrophobicContact CD1-CZ2 3.77Å; F100-W142 AromaticContact CD2-NE1 3.95Å; F100-W142 AromaticContact CE1-CZ2 3.54Å; F100-W142 HydrophobicContact CE1-CZ2 3.54Å; F100-W142 HydrophobicContact CE2-CZ2 4.37Å; F100-W142 AromaticContact CE2-NE1 3.64Å; F100-W142 HydrophobicContact CG-CZ2 4.32Å; F100-W142 AromaticContact CZ-CZ2 3.86Å; F100-W142 HydrophobicContact CZ-CZ2 3.86Å; F100-W142 AromaticContact CZ-NE1 3.88Å; F100-W156 HydrophobicContact CD1-CZ3 4.19Å; F100-W156 AromaticContact CE1-CE3 3.83Å; F100-W156 HydrophobicContact CE1-CE3 3.83Å; F100-W156 AromaticContact CE1-CH2 3.98Å; F100-W156 HydrophobicContact CE1-CH2 3.98Å; F100-W156 AromaticContact CE1-CZ3 3.33Å; F100-W156 HydrophobicContact CE1-CZ3 3.33Å; F100-W156 HydrophobicContact CE2-CH2 4.14Å; F100-W156 HydrophobicContact CE2-CZ3 4.19Å; F100-W156 HydrophobicContact CZ-CE3 4.16Å; F100-W156 AromaticContact CZ-CH2 3.46Å; F100-W156 HydrophobicContact CZ-CH2 3.46Å; F100-W156 VanDerWaalsContact CZ-CH2 3.46Å; F100-W156 HydrophobicContact CZ-CZ2 4.4Å; F100-W156 AromaticContact CZ-CZ3 3.33Å; F100-W156 HydrophobicContact CZ-CZ3 3.33Å; F100-F178 HydrophobicContact CE2-CE2 4.45Å; F100-F178 HydrophobicContact CE2-CZ 4.19Å; F100-F178 HydrophobicContact CZ-CE2 4.32Å; F100-F178 AromaticContact CZ-CZ 3.88Å; F100-F178 HydrophobicContact CZ-CZ 3.88Å; F100-I192 HydrophobicContact CE1-CD1 3.56Å; F100-I192 HydrophobicContact CZ-CD1 3.57Å; F100-W193 HydrophobicContact CD1-CZ2 4.15Å; F100-W193 HydrophobicContact CE1-CZ2 4.15Å
101	I	98.8	Very high	98.8	Very high	12 Å²	12	25.8 Å²	25.8	6%	0.062	14%	0.137	C	C	.	.	H	α-helix	trans	-67.6	-45.7	172.9	-62.1	169.5	0	0	0	110.1	Q56 H75 K97 R98 H99 D103 T104 C105	Q56-I101 HydrophobicContact CB-CG2 3.99Å; Q56-I101 HydrophobicContact CG-CG2 4.33Å; H75-I101 WeakPolarHBondContact NE2-CG2 3.42Å; K97-I101 HydrophobicContact CG-CD1 4.28Å; K97-I101 WeakPolarHBondContact O-CG1 3.23Å; K97-I101 PolarHBondContact O-N 2.8Å; R98-I101 WeakPolarHBondContact O-CB 3.11Å; R98-I101 PolarHBondContact O-N 2.82Å; H99-I101 VanDerWaalsContact C-N 3.29Å; H99-I101 PolarHBondContact O-N 3.22Å; I101-D103 PolarHBondContact O-N 2.93Å; I101-T104 WeakPolarHBondContact O-CB 3.43Å; I101-T104 PolarHBondContact O-N 3Å; I101-C105 PolarHBondContact O-N 2.7Å; I101-C105 PolarHBondContact O-SG 3.41Å
102	Q	98.8	Very high	98.8	Very high	18 Å²	18	18.3 Å²	18.3	8%	0.084	10%	0.103	C	C	.	.	H	α-helix	trans	-63.1	-40.5	177.2	-69	178.6	-1.9	0	0	112.4	Q56 R98 H99 C105 L106 M212 W213	Q56-Q102 HydrophobicContact CB-CG 4.45Å; R98-Q102 WeakPolarHBondContact O-CG 3.38Å; R98-Q102 PolarHBondContact O-N 2.98Å; H99-Q102 PolarHBondContact O-N 3.4Å; Q102-C105 PolarHBondContact O-N 3.27Å; Q102-L106 WeakPolarHBondContact O-CB 3.32Å; Q102-L106 PolarHBondContact O-N 3.19Å; Q102-M212 HydrophobicContact CB-CE 4.18Å; Q102-W213 HydrophobicContact CG-CB 4.17Å; Q102-W213 HydrophobicContact CG-CG 4.27Å
103	D	98.8	Very high	98.8	Very high	9 Å²	9	18.1 Å²	18.1	5%	0.048	10%	0.102	C	C	.	.	H	α-helix	trans	-59.1	-46.9	172.7	169.4	59.4	0	0	0	110.8	H99 I101 C105 L106 Y107 W142 W193 Y197 M212	H99-D103 VanDerWaalsContact O-CB 3.31Å; H99-D103 WeakPolarHBondContact O-CB 3.48Å; H99-D103 PolarHBondContact O-N 3.2Å; I101-D103 PolarHBondContact O-N 2.93Å; D103-C105 PolarHBondContact O-N 3Å; D103-L106 PolarHBondContact O-N 3.25Å; D103-Y107 WeakPolarHBondContact O-CB 3.48Å; D103-Y107 PolarHBondContact O-N 2.73Å; D103-W142 HydrophobicContact CB-CH2 4.27Å; D103-W193 PolarHBondContact OD2-NE1 3.49Å; D103-Y197 WeakPolarHBondContact OD1-CE2 3.3Å; D103-Y197 VanDerWaalsContact OD1-CZ 3.3Å; D103-Y197 PolarHBondContact OD1-OH 3.05Å; D103-M212 HydrophobicContact CB-CE 3.82Å; D103-M212 HydrophobicContact CB-SD 4.26Å
104	T	98.8	Very high	98.7	Very high	13 Å²	13	17 Å²	17	8%	0.08	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-45.4	175	-55.7	0	0	0	0	111.1	A74 L81 F100 I101 L106 Y107 E108	A74-T104 HydrophobicContact CB-CG2 3.65Å; L81-T104 HydrophobicContact CD1-CG2 3.75Å; F100-T104 WeakPolarHBondContact O-CB 3.46Å; F100-T104 PolarHBondContact O-N 3.27Å; F100-T104 PolarHBondContact O-OG1 3Å; I101-T104 WeakPolarHBondContact O-CB 3.43Å; I101-T104 PolarHBondContact O-N 3Å; T104-L106 PolarHBondContact O-N 3.5Å; T104-Y107 PolarHBondContact O-N 2.93Å; T104-E108 HydrophobicContact CG2-CG 3.98Å; T104-E108 VanDerWaalsContact O-CB 3.29Å; T104-E108 WeakPolarHBondContact O-CB 3.37Å; T104-E108 VanDerWaalsContact O-CG 3.22Å; T104-E108 WeakPolarHBondContact O-CG 3.47Å; T104-E108 PolarHBondContact O-N 3.42Å
105	C	98.8	Very high	98.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.6	-43.4	176.6	-62.5	0	0	0	0	111.9	C57 W60 I101 Q102 D103 C109	C57-C105 WeakPolarHBondContact CA-SG 3.4Å; C57-C105 HydrophobicContact CB-CB 3.87Å; C57-C105 WeakPolarHBondContact CB-SG 3.12Å; C57-C105 PolarHBondContact N-SG 3.36Å; C57-C105 WeakPolarHBondContact SG-CB 3.37Å; C57-C105 CovalentContact SG-SG 2.04Å; C57-C105 PolarHBondContact SG-SG 3.42Å; W60-C105 HydrophobicContact CE3-CB 3.9Å; W60-C105 HydrophobicContact CH2-CB 3.59Å; W60-C105 HydrophobicContact CZ3-CB 3.2Å; I101-C105 PolarHBondContact O-N 2.7Å; I101-C105 PolarHBondContact O-SG 3.41Å; Q102-C105 PolarHBondContact O-N 3.27Å; D103-C105 PolarHBondContact O-N 3Å; C105-C109 WeakPolarHBondContact O-CA 3.32Å; C105-C109 WeakPolarHBondContact O-CB 3.35Å; C105-C109 PolarHBondContact O-N 3.29Å; C105-C109 PolarHBondContact O-SG 3.05Å; C105-C109 VanDerWaalsContact O-SG 3.4Å
106	L	98.9	Very high	98.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.5	-51	176.4	177.5	72.4	0	0	0	110.4	W60 Q102 D103 T104 S110 L113 Y197 I210 M212	W60-L106 HydrophobicContact CH2-CB 4.38Å; W60-L106 HydrophobicContact CZ2-CB 3.99Å; W60-L106 HydrophobicContact CZ2-CD1 4.02Å; Q102-L106 WeakPolarHBondContact O-CB 3.32Å; Q102-L106 PolarHBondContact O-N 3.19Å; D103-L106 PolarHBondContact O-N 3.25Å; T104-L106 PolarHBondContact O-N 3.5Å; L106-S110 WeakPolarHBondContact O-CB 3.49Å; L106-S110 PolarHBondContact O-N 2.77Å; L106-L113 HydrophobicContact CG-CD1 4.46Å; L106-Y197 HydrophobicContact CD2-CE1 4.03Å; L106-Y197 WeakPolarHBondContact CD2-OH 3.33Å; L106-I210 HydrophobicContact CD1-CG2 3.95Å; L106-I210 HydrophobicContact CD2-CG2 3.8Å; L106-M212 HydrophobicContact CB-CG 4.33Å; L106-M212 HydrophobicContact CD2-CB 4.41Å; L106-M212 HydrophobicContact CD2-CG 3.58Å
107	Y	98.8	Very high	98.6	Very high	23 Å²	23	12.5 Å²	12.5	9%	0.09	6%	0.056	C	C	.	.	H	α-helix	trans	-62	-47.7	-177.5	178.4	-94.8	0	0	0	112	M38 H43 D103 T104 R125 V129	M38-Y107 HydrophobicContact CE-CD2 4.25Å; M38-Y107 HydrophobicContact CE-CE2 4.14Å; M38-Y107 HydrophobicContact SD-CD2 4.47Å; M38-Y107 HydrophobicContact SD-CE2 3.78Å; H43-Y107 AromaticContact CE1-CE1 3.76Å; H43-Y107 PolarHBondContact CE1-O 3.44Å; H43-Y107 PolarHBondContact NE2-O 2.99Å; D103-Y107 WeakPolarHBondContact O-CB 3.48Å; D103-Y107 PolarHBondContact O-N 2.73Å; T104-Y107 PolarHBondContact O-N 2.93Å; Y107-R125 PolarHBondContact OH-NH1 3.47Å; Y107-V129 HydrophobicContact CD2-CG2 4Å; Y107-V129 HydrophobicContact CE2-CG2 4.05Å
108	E	98.8	Very high	98.3	Very high	2 Å²	2	15 Å²	15	1%	0.009	7%	0.068	C	C	.	.	H	α-helix	trans	-79.1	-34.2	-175.6	-60.9	-63	168.2	0	0	112.7	H43 C65 C66 T70 Y82 T104	H43-E108 PolarHBondContact CD2-O 3.08Å; H43-E108 IonicContact CE1-OE2 3.97Å; H43-E108 PolarHBondContact CE1-OE2 3.27Å; H43-E108 IonicContact ND1-OE2 2.93Å; H43-E108 PolarHBondContact ND1-OE2 3.39Å; H43-E108 PolarHBondContact NE2-O 3.38Å; H43-E108 IonicContact NE2-OE2 2.84Å; C65-E108 CarbonylContact C-O 3.58Å; C65-E108 WeakPolarHBondContact CB-O 3.47Å; C66-E108 HydrophobicContact CB-CB 4.05Å; C66-E108 WeakPolarHBondContact CB-O 3.25Å; C66-E108 PolarHBondContact N-O 3.45Å; T70-E108 HydrophobicContact CG2-CB 3.86Å; T70-E108 HydrophobicContact CG2-CG 3.99Å; Y82-E108 VanDerWaalsContact CE2-OE1 3.23Å; Y82-E108 WeakPolarHBondContact CE2-OE1 3.48Å; Y82-E108 VanDerWaalsContact CZ-OE1 3.26Å; Y82-E108 PolarHBondContact OH-OE1 2.95Å; T104-E108 HydrophobicContact CG2-CG 3.98Å; T104-E108 VanDerWaalsContact O-CB 3.29Å; T104-E108 WeakPolarHBondContact O-CB 3.37Å; T104-E108 VanDerWaalsContact O-CG 3.22Å; T104-E108 WeakPolarHBondContact O-CG 3.47Å; T104-E108 PolarHBondContact O-N 3.42Å
109	C	98.8	Very high	98	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.007	8%	0.08	C	C	.	.	H	α-helix	trans	-104.9	-24.8	-169.1	-52.6	0	0	0	0	114.6	W60 A64 C65 C66 C105 P111	W60-C109 HydrophobicContact CB-CB 3.9Å; W60-C109 HydrophobicContact CD2-CB 3.99Å; W60-C109 HydrophobicContact CE3-CB 4.38Å; W60-C109 HydrophobicContact CG-CB 3.77Å; A64-C109 CarbonylContact C-O 3.58Å; A64-C109 WeakPolarHBondContact CA-O 3.27Å; A64-C109 HydrophobicContact CB-CB 4.24Å; C65-C109 PolarHBondContact N-O 2.88Å; C66-C109 HydrophobicContact CB-CB 3.88Å; C66-C109 WeakPolarHBondContact CB-SG 3.25Å; C66-C109 WeakPolarHBondContact SG-CB 3.17Å; C66-C109 CovalentContact SG-SG 2.03Å; C66-C109 PolarHBondContact SG-SG 3.25Å; C105-C109 WeakPolarHBondContact O-CA 3.32Å; C105-C109 WeakPolarHBondContact O-CB 3.35Å; C105-C109 PolarHBondContact O-N 3.29Å; C105-C109 PolarHBondContact O-SG 3.05Å; C105-C109 VanDerWaalsContact O-SG 3.4Å; C109-P111 VanDerWaalsContact O-CD 3.28Å; C109-P111 WeakPolarHBondContact O-CD 3.45Å
110	S	98.8	Very high	97.2	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.021	9%	0.087	C	C	.	.			trans	-71.3	121.4	-170.8	-175.4	0	0	0	0	112.7	L106 N112	L106-S110 WeakPolarHBondContact O-CB 3.49Å; L106-S110 PolarHBondContact O-N 2.77Å; S110-N112 PolarHBondContact O-N 3.33Å; S110-N112 PolarHBondContact OG-N 3.47Å
111	P	98.6	Very high	96	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	5.1	172.2	37.3	-37	0	0	0	112.7	N35 V36 P47 C109	N35-P111 VanDerWaalsContact CA-O 3.3Å; N35-P111 WeakPolarHBondContact CA-O 3.32Å; N35-P111 PolarHBondContact N-O 2.94Å; V36-P111 PolarHBondContact N-O 3.01Å; V36-P111 VanDerWaalsContact N-O 3.15Å; V36-P111 CarbonylContact O-C 3.33Å; V36-P111 WeakPolarHBondContact O-CA 3.37Å; P47-P111 HydrophobicContact CB-CB 3.73Å; P47-P111 HydrophobicContact CG-CB 3.45Å; P47-P111 VanDerWaalsContact CG-CB 3.45Å; C109-P111 VanDerWaalsContact O-CD 3.28Å; C109-P111 WeakPolarHBondContact O-CD 3.45Å
112	N	98.8	Very high	95.3	Very high	10 Å²	10	26.5 Å²	26.5	5%	0.053	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	11.5	-171.3	-56.3	115.5	0	0	0	113	S110 W116 N220 N222 A226	S110-N112 PolarHBondContact O-N 3.33Å; S110-N112 PolarHBondContact OG-N 3.47Å; N112-W116 WeakPolarHBondContact O-CZ3 3.44Å; N112-N220 PolarHBondContact OD1-ND2 2.99Å; N112-N222 HydrophobicContact CB-CB 3.97Å; N112-A226 HydrophobicContact CB-CB 3.95Å; N112-A226 WeakPolarHBondContact O-CB 3.39Å
113	L	98.7	Very high	94.6	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	17%	0.17	C	C	.	.			trans	-91.9	0.1	179	-62.1	177.4	0	0	0	113.7	M38 L106 W116 I117 V129 V132 I210	M38-L113 HydrophobicContact CE-CD1 4.13Å; L106-L113 HydrophobicContact CG-CD1 4.46Å; L113-W116 HydrophobicContact CD2-CE3 4.38Å; L113-W116 PolarHBondContact O-N 3.41Å; L113-I117 PolarHBondContact O-N 3.36Å; L113-V129 HydrophobicContact CB-CG1 3.83Å; L113-V129 HydrophobicContact CD1-CG1 4.14Å; L113-V132 HydrophobicContact CD2-CG1 3.93Å; L113-V132 HydrophobicContact CD2-CG2 4.21Å; L113-I210 HydrophobicContact CD2-CG2 4.28Å
114	G	97.8	Very high	93.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-48.5	-42.6	-175.2	0	0	0	0	0	116.6	L33 W116 I117	L33-G114 VanDerWaalsContact O-CA 3.23Å; L33-G114 WeakPolarHBondContact O-CA 3.37Å; G114-W116 PolarHBondContact O-N 3.22Å; G114-I117 PolarHBondContact O-N 3.25Å; G114-I117 VanDerWaalsContact O-N 3.16Å
115	P	97.5	Very high	92.9	Very high	8 Å²	8	35.4 Å²	35.4	5%	0.052	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-58.9	-19.7	178.2	-25.9	36.7	0	0	0	114.7	L33 A226 A230 M233	L33-P115 HydrophobicContact CB-CG 4.47Å; L33-P115 WeakPolarHBondContact O-CD 3.49Å; P115-A226 HydrophobicContact CG-CB 4.42Å; P115-A230 HydrophobicContact CG-CB 4.28Å; P115-M233 HydrophobicContact CB-SD 3.8Å; P115-M233 WeakPolarHBondContact O-CE 3.48Å; P115-M233 VanDerWaalsContact O-SD 3.39Å
116	W	98	Very high	92.6	Very high	23 Å²	23	40.2 Å²	40.2	9%	0.087	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-112.3	4.4	-176.2	-56.7	-73.8	0	0	0	113.5	N112 L113 G114 Q118 V129 L130 V132 P133 I210 V225 Y229	N112-W116 WeakPolarHBondContact O-CZ3 3.44Å; L113-W116 HydrophobicContact CD2-CE3 4.38Å; L113-W116 PolarHBondContact O-N 3.41Å; G114-W116 PolarHBondContact O-N 3.22Å; W116-Q118 PolarHBondContact O-N 3.07Å; W116-V129 VanDerWaalsContact O-CA 3.32Å; W116-V129 WeakPolarHBondContact O-CA 3.46Å; W116-L130 WeakPolarHBondContact CB-O 3.25Å; W116-L130 PolarHBondContact O-N 3.48Å; W116-V132 HydrophobicContact CB-CG2 3.64Å; W116-V132 HydrophobicContact CD2-CB 4.49Å; W116-V132 HydrophobicContact CD2-CG2 4.14Å; W116-V132 HydrophobicContact CE3-CG1 4.37Å; W116-V132 HydrophobicContact CE3-CG2 4.19Å; W116-V132 HydrophobicContact CG-CB 4.45Å; W116-V132 HydrophobicContact CG-CG2 3.89Å; W116-P133 HydrophobicContact CH2-CG 3.99Å; W116-P133 HydrophobicContact CZ2-CG 3.36Å; W116-I210 HydrophobicContact CH2-CD1 3.86Å; W116-I210 HydrophobicContact CH2-CG1 3.76Å; W116-I210 HydrophobicContact CZ3-CD1 3.72Å; W116-I210 HydrophobicContact CZ3-CG1 3.71Å; W116-V225 HydrophobicContact CH2-CG1 4.13Å; W116-Y229 AromaticContact CH2-CD2 3.95Å; W116-Y229 HydrophobicContact CH2-CD2 3.95Å; W116-Y229 HydrophobicContact CH2-CG 4.27Å; W116-Y229 HydrophobicContact CZ2-CD1 4.16Å; W116-Y229 AromaticContact CZ2-CD2 3.5Å; W116-Y229 HydrophobicContact CZ2-CD2 3.5Å; W116-Y229 VanDerWaalsContact CZ2-CD2 3.5Å; W116-Y229 HydrophobicContact CZ2-CE2 4.06Å; W116-Y229 AromaticContact CZ2-CG 3.55Å; W116-Y229 HydrophobicContact CZ2-CG 3.55Å
117	I	97.1	Very high	92.3	Very high	17 Å²	17	41.5 Å²	41.5	9%	0.087	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.5	177	-59.8	172.2	0	0	0	109.5	R30 V36 M38 L113 G114 E127 R128 V129	R30-I117 VanDerWaalsContact NH1-CG2 3.34Å; V36-I117 HydrophobicContact CG2-CD1 4.23Å; M38-I117 HydrophobicContact CB-CD1 3.6Å; M38-I117 HydrophobicContact CB-CG1 3.95Å; M38-I117 HydrophobicContact CB-CG2 3.99Å; L113-I117 PolarHBondContact O-N 3.36Å; G114-I117 PolarHBondContact O-N 3.25Å; G114-I117 VanDerWaalsContact O-N 3.16Å; I117-E127 HydrophobicContact CG2-CB 3.67Å; I117-E127 HydrophobicContact CG2-CG 4.06Å; I117-R128 CarbonylContact C-O 3.54Å; I117-R128 WeakPolarHBondContact CA-O 3.28Å; I117-V129 HydrophobicContact CG1-CG1 4.18Å
118	Q	94.1	Very high	92.1	Very high	86 Å²	86	41.1 Å²	41.1	40%	0.402	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	145.2	174.4	-60.8	-168.1	23.4	0	0	110.8	W116 V120 E127 R128 L130	W116-Q118 PolarHBondContact O-N 3.07Å; Q118-V120 PolarHBondContact O-N 3.27Å; Q118-E127 CarbonylContact O-C 3.6Å; Q118-E127 VanDerWaalsContact O-CA 3.3Å; Q118-E127 WeakPolarHBondContact O-CA 3.46Å; Q118-R128 PolarHBondContact N-O 2.92Å; Q118-R128 PolarHBondContact O-N 3.17Å; Q118-L130 HydrophobicContact CB-CD1 4.27Å; Q118-L130 HydrophobicContact CG-CB 4.48Å; Q118-L130 HydrophobicContact CG-CD1 4.34Å
119	Q	91.5	Very high	92.1	Very high	120 Å²	120	41 Å²	41	56%	0.561	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	127.8	172.3	-70.5	-174.1	-23.8	0	0	110	K126 E127	Q119-K126 WeakPolarHBondContact CA-O 3.41Å; Q119-E127 HydrophobicContact CG-CG 4.32Å
120	V	83	Confident	92.1	Very high	26 Å²	26	42.5 Å²	42.5	16%	0.158	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	105.1	171.8	-67.2	0	0	0	0	106.6	Q118 Q122 R125 K126 R128	Q118-V120 PolarHBondContact O-N 3.27Å; V120-Q122 HydrophobicContact CB-CG 4.3Å; V120-Q122 HydrophobicContact CG2-CG 4.42Å; V120-Q122 PolarHBondContact O-N 3.24Å; V120-R125 HydrophobicContact CG2-CG 4.2Å; V120-K126 CarbonylContact C-O 3.57Å; V120-K126 PolarHBondContact N-O 3.13Å; V120-K126 CarbonylContact O-C 3.56Å; V120-R128 HydrophobicContact CB-CG 4.3Å; V120-R128 HydrophobicContact CG1-CG 3.72Å; V120-R128 HydrophobicContact CG2-CB 3.8Å; V120-R128 HydrophobicContact CG2-CG 3.52Å
121	D	73.9	Confident	92	Very high	133 Å²	133	45.7 Å²	45.7	71%	0.711	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	78.5	179.3	-89.4	-52.2	0	0	0	110.6	K126	D121-K126 WeakPolarHBondContact OD1-CD 3.37Å; D121-K126 IonicContact OD1-NZ 2.8Å; D121-K126 PolarHBondContact OD1-NZ 3.36Å
122	Q	83.3	Confident	92.1	Very high	60 Å²	60	45.6 Å²	45.6	28%	0.28	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	161.2	176.6	-65.1	-179.7	-4.7	0	0	110.1	V120 W124 R125	V120-Q122 HydrophobicContact CB-CG 4.3Å; V120-Q122 HydrophobicContact CG2-CG 4.42Å; V120-Q122 PolarHBondContact O-N 3.24Å; Q122-W124 PolarHBondContact O-N 3.12Å; Q122-R125 CarbonylContact C-O 3.57Å; Q122-R125 HydrophobicContact CB-CG 4.33Å; Q122-R125 PolarHBondContact N-O 2.75Å; Q122-R125 VanDerWaalsContact OE1-NE 3.16Å
123	S	83.3	Confident	92	Very high	129 Å²	129	45.6 Å²	45.6	90%	0.902	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-25	-174.6	52.8	0	0	0	0	114.6
124	W	78.7	Confident	92.1	Very high	89 Å²	89	45.4 Å²	45.4	34%	0.337	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-3.7	-172.3	62.3	-90.2	0	0	0	114.5	K41 Y82 Q122	K41-W124 HydrophobicContact CB-CE3 4.27Å; Y82-W124 HydrophobicContact CE1-CE3 4.09Å; Y82-W124 AromaticContact CE1-CZ3 3.73Å; Y82-W124 HydrophobicContact CE1-CZ3 3.73Å; Q122-W124 PolarHBondContact O-N 3.12Å
125	R	84.4	Confident	92.1	Very high	9 Å²	9	45.4 Å²	45.4	3%	0.034	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	146.3	175.3	60	176.3	174.2	-165.2	-8.3	110.1	A40 Y107 V120 Q122 E127	A40-R125 HydrophobicContact CB-CB 4.01Å; Y107-R125 PolarHBondContact OH-NH1 3.47Å; V120-R125 HydrophobicContact CG2-CG 4.2Å; Q122-R125 CarbonylContact C-O 3.57Å; Q122-R125 HydrophobicContact CB-CG 4.33Å; Q122-R125 PolarHBondContact N-O 2.75Å; Q122-R125 VanDerWaalsContact OE1-NE 3.16Å; R125-E127 WeakPolarHBondContact CD-O 3.4Å
126	K	91.2	Very high	92.2	Very high	101 Å²	101	49 Å²	49	44%	0.439	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-24.7	175.1	-66.8	-54.1	-162.3	172.2	0	112.5	N39 Q119 V120 D121	N39-K126 HydrophobicContact CB-CB 4.36Å; N39-K126 PolarHBondContact O-N 3.46Å; Q119-K126 WeakPolarHBondContact CA-O 3.41Å; V120-K126 CarbonylContact C-O 3.57Å; V120-K126 PolarHBondContact N-O 3.13Å; V120-K126 CarbonylContact O-C 3.56Å; D121-K126 WeakPolarHBondContact OD1-CD 3.37Å; D121-K126 IonicContact OD1-NZ 2.8Å; D121-K126 PolarHBondContact OD1-NZ 3.36Å
127	E	93.6	Very high	92.2	Very high	28 Å²	28	50 Å²	50	13%	0.131	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	154.6	175.9	-64.3	-173.9	133.9	0	0	110.6	R30 M38 N39 I117 Q118 Q119 R125	R30-E127 IonicContact CZ-OE2 2.76Å; R30-E127 IonicContact NH1-OE1 2.7Å; R30-E127 PolarHBondContact NH1-OE1 2.58Å; R30-E127 IonicContact NH1-OE2 3.57Å; R30-E127 PolarHBondContact NH1-OE2 2.83Å; M38-E127 WeakPolarHBondContact CA-OE2 3.18Å; M38-E127 HydrophobicContact CB-CB 4.2Å; N39-E127 HydrophobicContact CB-CB 4.41Å; N39-E127 HydrophobicContact CB-CG 4.11Å; N39-E127 PolarHBondContact N-OE2 2.77Å; N39-E127 PolarHBondContact O-N 3.23Å; I117-E127 HydrophobicContact CG2-CB 3.67Å; I117-E127 HydrophobicContact CG2-CG 4.06Å; Q118-E127 CarbonylContact O-C 3.6Å; Q118-E127 VanDerWaalsContact O-CA 3.3Å; Q118-E127 WeakPolarHBondContact O-CA 3.46Å; Q119-E127 HydrophobicContact CG-CG 4.32Å; R125-E127 WeakPolarHBondContact CD-O 3.4Å
128	R	95.1	Very high	92.3	Very high	14 Å²	14	49.7 Å²	49.7	5%	0.053	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	168	168.4	71.4	173.6	-71.1	178.2	-4.5	109.9	I117 Q118 V120 L130 H157 W193 T194 S196	I117-R128 CarbonylContact C-O 3.54Å; I117-R128 WeakPolarHBondContact CA-O 3.28Å; Q118-R128 PolarHBondContact N-O 2.92Å; Q118-R128 PolarHBondContact O-N 3.17Å; V120-R128 HydrophobicContact CB-CG 4.3Å; V120-R128 HydrophobicContact CG1-CG 3.72Å; V120-R128 HydrophobicContact CG2-CB 3.8Å; V120-R128 HydrophobicContact CG2-CG 3.52Å; R128-L130 HydrophobicContact CG-CG 4.19Å; R128-H157 PolarHBondContact NH2-CE1 3.43Å; R128-H157 VanDerWaalsContact NH2-CE1 3.3Å; R128-W193 PolarHBondContact NH2-O 3.42Å; R128-T194 PolarHBondContact NH2-O 2.93Å; R128-S196 PolarHBondContact NH2-OG 2.77Å
129	V	97.8	Very high	92.5	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	146.4	166.3	-62.7	0	0	0	0	111.7	M38 Y107 L113 W116 I117 V132	M38-V129 HydrophobicContact CE-CG1 3.44Å; M38-V129 VanDerWaalsContact CE-CG1 3.44Å; M38-V129 HydrophobicContact SD-CG1 4.15Å; Y107-V129 HydrophobicContact CD2-CG2 4Å; Y107-V129 HydrophobicContact CE2-CG2 4.05Å; L113-V129 HydrophobicContact CB-CG1 3.83Å; L113-V129 HydrophobicContact CD1-CG1 4.14Å; W116-V129 VanDerWaalsContact O-CA 3.32Å; W116-V129 WeakPolarHBondContact O-CA 3.46Å; I117-V129 HydrophobicContact CG1-CG1 4.18Å; V129-V132 HydrophobicContact CB-CG2 3.68Å; V129-V132 HydrophobicContact CG1-CG2 4.28Å; V129-V132 HydrophobicContact CG2-CG2 3.96Å
130	L	97.9	Very high	92.9	Very high	31 Å²	31	43.2 Å²	43.2	16%	0.162	22%	0.219	C	C	.	.			trans	-139.4	137.8	172.5	-72.2	176.3	0	0	0	110.8	W116 Q118 R128 V132 Y195 S196	W116-L130 WeakPolarHBondContact CB-O 3.25Å; W116-L130 PolarHBondContact O-N 3.48Å; Q118-L130 HydrophobicContact CB-CD1 4.27Å; Q118-L130 HydrophobicContact CG-CB 4.48Å; Q118-L130 HydrophobicContact CG-CD1 4.34Å; R128-L130 HydrophobicContact CG-CG 4.19Å; L130-V132 VanDerWaalsContact C-N 3.3Å; L130-V132 PolarHBondContact O-N 3.04Å; L130-Y195 CarbonylContact C-O 3.41Å; L130-Y195 VanDerWaalsContact CA-O 3.32Å; L130-Y195 WeakPolarHBondContact CA-O 3.3Å; L130-Y195 WeakPolarHBondContact CD2-O 3.45Å; L130-S196 CarbonylContact C-O 3.56Å
131	N	98.4	Very high	93.6	Very high	70 Å²	70	46.6 Å²	46.6	37%	0.374	23%	0.233	S	C	.	.	S	Bend	trans	57.6	35.7	177.3	-53.4	-59.6	0	0	0	114.6	Y195 S196 K198	N131-Y195 PolarHBondContact N-O 3.23Å; N131-S196 PolarHBondContact N-O 2.53Å; N131-S196 VanDerWaalsContact N-O 3.15Å; N131-K198 HydrophobicContact CB-CB 3.91Å; N131-K198 HydrophobicContact CB-CD 4.39Å
132	V	98.9	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-60.9	127	172.3	175	0	0	0	0	109	L113 W116 V129 L130 L134 S196 Y197 K198 I210	L113-V132 HydrophobicContact CD2-CG1 3.93Å; L113-V132 HydrophobicContact CD2-CG2 4.21Å; W116-V132 HydrophobicContact CB-CG2 3.64Å; W116-V132 HydrophobicContact CD2-CB 4.49Å; W116-V132 HydrophobicContact CD2-CG2 4.14Å; W116-V132 HydrophobicContact CE3-CG1 4.37Å; W116-V132 HydrophobicContact CE3-CG2 4.19Å; W116-V132 HydrophobicContact CG-CB 4.45Å; W116-V132 HydrophobicContact CG-CG2 3.89Å; V129-V132 HydrophobicContact CB-CG2 3.68Å; V129-V132 HydrophobicContact CG1-CG2 4.28Å; V129-V132 HydrophobicContact CG2-CG2 3.96Å; L130-V132 VanDerWaalsContact C-N 3.3Å; L130-V132 PolarHBondContact O-N 3.04Å; V132-L134 VanDerWaalsContact C-N 3.27Å; V132-L134 PolarHBondContact O-N 2.7Å; V132-S196 PolarHBondContact N-O 3.15Å; V132-Y197 HydrophobicContact CB-CD1 3.68Å; V132-Y197 HydrophobicContact CB-CE1 4.07Å; V132-Y197 HydrophobicContact CG1-CD1 3.87Å; V132-Y197 HydrophobicContact CG1-CE1 3.96Å; V132-Y197 WeakPolarHBondContact O-CA 3.48Å; V132-K198 PolarHBondContact O-N 3.49Å; V132-I210 HydrophobicContact CG1-CB 3.9Å; V132-I210 HydrophobicContact CG1-CG1 3.82Å; V132-I210 HydrophobicContact CG1-CG2 4.11Å
133	P	98.8	Very high	95.6	Very high	9 Å²	9	39.4 Å²	39.4	6%	0.058	19%	0.193	C	C	.	.			trans	-77.5	74.9	-174.8	32.4	-36.2	0	0	0	110.4	W116 C135 K198 C209 I210 Y229	W116-P133 HydrophobicContact CH2-CG 3.99Å; W116-P133 HydrophobicContact CZ2-CG 3.36Å; P133-C135 PolarHBondContact O-N 3.31Å; P133-K198 VanDerWaalsContact CA-O 3.32Å; P133-K198 WeakPolarHBondContact CA-O 3.44Å; P133-C209 CarbonylContact O-C 3.5Å; P133-C209 WeakPolarHBondContact O-CA 3.43Å; P133-C209 VanDerWaalsContact O-CB 3.23Å; P133-C209 WeakPolarHBondContact O-CB 3.37Å; P133-I210 HydrophobicContact CG-CG1 4.39Å; P133-I210 PolarHBondContact O-N 2.76Å; P133-Y229 HydrophobicContact CG-CD2 4.45Å; P133-Y229 HydrophobicContact CG-CE2 3.84Å
134	L	98.9	Very high	96.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-59.6	134.4	178.1	-173.6	63.7	0	0	0	109.9	V132 D138 C139 C189 Y197 S200 M212	V132-L134 VanDerWaalsContact C-N 3.27Å; V132-L134 PolarHBondContact O-N 2.7Å; L134-D138 HydrophobicContact CD1-CB 3.9Å; L134-D138 HydrophobicContact CG-CB 4.14Å; L134-C139 HydrophobicContact CD2-CB 3.97Å; L134-C139 HydrophobicContact CG-CB 4.49Å; L134-C189 HydrophobicContact CD2-CB 4.13Å; L134-Y197 HydrophobicContact CB-CD1 3.86Å; L134-Y197 HydrophobicContact CB-CG 4.2Å; L134-Y197 HydrophobicContact CD1-CD1 4.49Å; L134-Y197 HydrophobicContact CD1-CE1 4.41Å; L134-Y197 HydrophobicContact CD2-CD1 4.41Å; L134-Y197 HydrophobicContact CD2-CD2 4.44Å; L134-Y197 HydrophobicContact CD2-CG 4.26Å; L134-Y197 HydrophobicContact CG-CD1 4.49Å; L134-S200 WeakPolarHBondContact O-CB 3.17Å; L134-S200 PolarHBondContact O-N 3.03Å; L134-M212 HydrophobicContact CD1-CB 4.26Å; L134-M212 HydrophobicContact CD1-CG 3.66Å; L134-M212 HydrophobicContact CD1-SD 3.76Å; L134-M212 HydrophobicContact CD2-SD 3.96Å
135	C	98.9	Very high	97.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.163	C	C	.	.			trans	-60.1	145.7	177.4	-69	0	0	0	0	111.4	P133 E137 D138 C139 R204 C209 I210 Q211	P133-C135 PolarHBondContact O-N 3.31Å; C135-E137 VanDerWaalsContact C-N 3.34Å; C135-E137 PolarHBondContact O-N 2.78Å; C135-D138 WeakPolarHBondContact CB-OD2 3.31Å; C135-D138 PolarHBondContact O-N 3.23Å; C135-C139 PolarHBondContact O-N 3.44Å; C135-R204 HydrophobicContact CB-CG 3.87Å; C135-C209 WeakPolarHBondContact CA-SG 3.28Å; C135-C209 HydrophobicContact CB-CB 3.87Å; C135-C209 WeakPolarHBondContact CB-SG 3.23Å; C135-C209 WeakPolarHBondContact SG-CB 3.19Å; C135-C209 PolarHBondContact SG-O 2.91Å; C135-C209 CovalentContact SG-SG 2.04Å; C135-C209 PolarHBondContact SG-SG 3.49Å; C135-I210 PolarHBondContact N-O 2.83Å; C135-I210 PolarHBondContact SG-O 2.81Å; C135-I210 VanDerWaalsContact SG-O 3.41Å; C135-Q211 HydrophobicContact CB-CG 4.48Å; C135-Q211 VanDerWaalsContact SG-CG 3.55Å
136	K	98.8	Very high	98	Very high	82 Å²	82	34 Å²	34	36%	0.357	16%	0.162	S	C	.	.	H	α-helix	trans	-52.6	-51	-177.8	-177.3	-175	171.2	-172.1	0	112	D138 C139 E140 Y202	K136-D138 PolarHBondContact O-N 3.27Å; K136-C139 PolarHBondContact O-N 2.99Å; K136-E140 VanDerWaalsContact CE-CD 3.42Å; K136-E140 WeakPolarHBondContact CE-OE1 3.34Å; K136-E140 WeakPolarHBondContact CE-OE2 3.49Å; K136-E140 HydrophobicContact CG-CG 4.35Å; K136-E140 IonicContact NZ-OE1 3.83Å; K136-E140 WeakPolarHBondContact O-CG 3.41Å; K136-E140 PolarHBondContact O-N 2.86Å; K136-Y202 PolarHBondContact N-O 2.82Å
137	E	98.8	Very high	98.3	Very high	44 Å²	44	36 Å²	36	21%	0.206	17%	0.166	C	C	.	.	H	α-helix	trans	-69	-34.5	-174.7	-61.8	72.3	-153.3	0	0	112.7	C135 C139 E140 Q141 S203 R204	C135-E137 VanDerWaalsContact C-N 3.34Å; C135-E137 PolarHBondContact O-N 2.78Å; E137-C139 VanDerWaalsContact C-N 3.29Å; E137-C139 PolarHBondContact O-N 2.59Å; E137-E140 PolarHBondContact O-N 2.69Å; E137-Q141 VanDerWaalsContact O-CB 3.29Å; E137-Q141 WeakPolarHBondContact O-CB 3.36Å; E137-Q141 VanDerWaalsContact O-CG 3.24Å; E137-Q141 WeakPolarHBondContact O-CG 3.49Å; E137-Q141 PolarHBondContact O-N 3.22Å; E137-S203 WeakPolarHBondContact OE1-CB 3.44Å; E137-S203 PolarHBondContact OE1-OG 2.8Å; E137-S203 WeakPolarHBondContact OE2-CA 3.37Å; E137-S203 WeakPolarHBondContact OE2-CB 3.38Å; E137-R204 HydrophobicContact CB-CG 4.19Å; E137-R204 PolarHBondContact OE2-N 2.99Å
138	D	98.9	Very high	98.5	Very high	11 Å²	11	39.5 Å²	39.5	6%	0.059	19%	0.19	C	C	.	.	H	α-helix	trans	-60.7	-42.9	174.7	-67.2	-122.8	0	0	0	110.6	L134 C135 K136 W142 R204 Q211 M212	L134-D138 HydrophobicContact CD1-CB 3.9Å; L134-D138 HydrophobicContact CG-CB 4.14Å; C135-D138 WeakPolarHBondContact CB-OD2 3.31Å; C135-D138 PolarHBondContact O-N 3.23Å; K136-D138 PolarHBondContact O-N 3.27Å; D138-W142 WeakPolarHBondContact O-CB 3.42Å; D138-W142 PolarHBondContact O-N 3.45Å; D138-R204 IonicContact OD1-NH1 3.67Å; D138-R204 PolarHBondContact OD1-NH1 3.47Å; D138-R204 VanDerWaalsContact OD2-CD 3.23Å; D138-R204 WeakPolarHBondContact OD2-CD 3.04Å; D138-R204 WeakPolarHBondContact OD2-CG 3.39Å; D138-R204 IonicContact OD2-CZ 3.14Å; D138-R204 IonicContact OD2-NE 2.58Å; D138-R204 IonicContact OD2-NH1 3.05Å; D138-R204 PolarHBondContact OD2-NH1 3.33Å; D138-Q211 WeakPolarHBondContact OD1-CA 3.36Å; D138-M212 PolarHBondContact OD1-N 3.24Å
139	C	98.9	Very high	98.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-71.2	-45.3	178.5	-178.6	0	0	0	0	112.9	L134 C135 K136 E137 W142 W143 P185 C189 V199	L134-C139 HydrophobicContact CD2-CB 3.97Å; L134-C139 HydrophobicContact CG-CB 4.49Å; C135-C139 PolarHBondContact O-N 3.44Å; K136-C139 PolarHBondContact O-N 2.99Å; E137-C139 VanDerWaalsContact C-N 3.29Å; E137-C139 PolarHBondContact O-N 2.59Å; C139-W142 PolarHBondContact O-N 3.06Å; C139-W143 WeakPolarHBondContact O-CB 3.32Å; C139-W143 PolarHBondContact O-N 3.23Å; C139-P185 PolarHBondContact SG-O 3.28Å; C139-C189 WeakPolarHBondContact CA-SG 3.23Å; C139-C189 HydrophobicContact CB-CB 4.07Å; C139-C189 WeakPolarHBondContact CB-SG 3.23Å; C139-C189 WeakPolarHBondContact SG-CB 3.47Å; C139-C189 CovalentContact SG-SG 2.03Å; C139-C189 PolarHBondContact SG-SG 2.04Å; C139-V199 HydrophobicContact CB-CG1 4.1Å; C139-V199 HydrophobicContact CB-CG2 3.9Å; C139-V199 WeakPolarHBondContact SG-CG2 3.46Å
140	E	98.9	Very high	98.8	Very high	71 Å²	71	44.4 Å²	44.4	33%	0.332	21%	0.209	S	C	.	.	H	α-helix	trans	-62.5	-45.5	179.8	-72.4	177.3	160.3	0	0	111.6	K136 E137 W142 W143 D144 P185	K136-E140 VanDerWaalsContact CE-CD 3.42Å; K136-E140 WeakPolarHBondContact CE-OE1 3.34Å; K136-E140 WeakPolarHBondContact CE-OE2 3.49Å; K136-E140 HydrophobicContact CG-CG 4.35Å; K136-E140 IonicContact NZ-OE1 3.83Å; K136-E140 WeakPolarHBondContact O-CG 3.41Å; K136-E140 PolarHBondContact O-N 2.86Å; E137-E140 PolarHBondContact O-N 2.69Å; E140-W142 PolarHBondContact O-N 2.77Å; E140-W143 PolarHBondContact O-N 3.15Å; E140-D144 PolarHBondContact O-N 2.93Å; E140-P185 HydrophobicContact CG-CB 4.09Å; E140-P185 HydrophobicContact CG-CG 4.06Å
141	Q	98.9	Very high	98.8	Very high	97 Å²	97	43 Å²	43	45%	0.453	20%	0.202	S	C	.	.	H	α-helix	trans	-66	-38.3	177.9	-71.1	179.1	33.2	0	0	112.6	H99 E137 W143 D144 D145	H99-Q141 PolarHBondContact NE2-O 3.47Å; E137-Q141 VanDerWaalsContact O-CB 3.29Å; E137-Q141 WeakPolarHBondContact O-CB 3.36Å; E137-Q141 VanDerWaalsContact O-CG 3.24Å; E137-Q141 WeakPolarHBondContact O-CG 3.49Å; E137-Q141 PolarHBondContact O-N 3.22Å; Q141-W143 VanDerWaalsContact C-N 3.34Å; Q141-D144 PolarHBondContact O-N 3.45Å; Q141-D145 WeakPolarHBondContact O-CB 3.36Å; Q141-D145 PolarHBondContact O-N 3.22Å
142	W	98.9	Very high	98.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.4	-47.7	174	179.9	9.3	0	0	0	110.9	H99 F100 D103 D138 C139 E140 D144 C146 L188 I192 W193 Y197 M212	H99-W142 HydrophobicContact CB-CB 4Å; H99-W142 HydrophobicContact CB-CD2 4.06Å; H99-W142 HydrophobicContact CB-CG 3.53Å; H99-W142 AromaticContact CG-CD1 3.77Å; H99-W142 AromaticContact CG-CG 3.87Å; F100-W142 AromaticContact CD1-CZ2 3.77Å; F100-W142 HydrophobicContact CD1-CZ2 3.77Å; F100-W142 AromaticContact CD2-NE1 3.95Å; F100-W142 AromaticContact CE1-CZ2 3.54Å; F100-W142 HydrophobicContact CE1-CZ2 3.54Å; F100-W142 HydrophobicContact CE2-CZ2 4.37Å; F100-W142 AromaticContact CE2-NE1 3.64Å; F100-W142 HydrophobicContact CG-CZ2 4.32Å; F100-W142 AromaticContact CZ-CZ2 3.86Å; F100-W142 HydrophobicContact CZ-CZ2 3.86Å; F100-W142 AromaticContact CZ-NE1 3.88Å; D103-W142 HydrophobicContact CB-CH2 4.27Å; D138-W142 WeakPolarHBondContact O-CB 3.42Å; D138-W142 PolarHBondContact O-N 3.45Å; C139-W142 PolarHBondContact O-N 3.06Å; E140-W142 PolarHBondContact O-N 2.77Å; W142-D144 PolarHBondContact O-N 2.89Å; W142-C146 VanDerWaalsContact CD1-SG 3.55Å; W142-C146 WeakPolarHBondContact O-CB 3.47Å; W142-C146 PolarHBondContact O-N 2.97Å; W142-C146 PolarHBondContact O-SG 3.37Å; W142-C146 VanDerWaalsContact O-SG 3.39Å; W142-L188 HydrophobicContact CD2-CD2 4.15Å; W142-L188 HydrophobicContact CG-CD2 4Å; W142-I192 HydrophobicContact CH2-CG2 4.1Å; W142-I192 HydrophobicContact CZ2-CD1 4.46Å; W142-W193 AromaticContact CH2-NE1 3.92Å; W142-Y197 HydrophobicContact CZ3-CE2 4.36Å; W142-M212 HydrophobicContact CD2-CE 4.46Å; W142-M212 HydrophobicContact CE3-CE 3.95Å; W142-M212 HydrophobicContact CE3-SD 3.97Å; W142-M212 HydrophobicContact CZ3-CE 4.2Å; W142-M212 HydrophobicContact CZ3-SD 3.96Å
143	W	98.9	Very high	98.8	Very high	42 Å²	42	41.2 Å²	41.2	16%	0.159	19%	0.191	C	C	.	.	H	α-helix	trans	-60.8	-46.2	178.3	-177.8	81.7	0	0	0	112.6	C139 E140 Q141 C146 H179 F182 P185 L188	C139-W143 WeakPolarHBondContact O-CB 3.32Å; C139-W143 PolarHBondContact O-N 3.23Å; E140-W143 PolarHBondContact O-N 3.15Å; Q141-W143 VanDerWaalsContact C-N 3.34Å; W143-C146 PolarHBondContact O-N 3.43Å; W143-H179 AromaticContact CD1-CD2 3.98Å; W143-H179 AromaticContact CD1-NE2 3.87Å; W143-H179 AromaticContact CD2-CE1 3.68Å; W143-H179 AromaticContact CD2-NE2 3.47Å; W143-H179 AromaticContact CE2-CD2 3.58Å; W143-H179 AromaticContact CE2-CE1 3.41Å; W143-H179 VanDerWaalsContact CE2-CE1 3.41Å; W143-H179 AromaticContact CE2-CG 3.86Å; W143-H179 AromaticContact CE2-ND1 3.81Å; W143-H179 AromaticContact CE2-NE2 3.3Å; W143-H179 VanDerWaalsContact CE2-NE2 3.3Å; W143-H179 AromaticContact CE3-CE1 3.77Å; W143-H179 AromaticContact CE3-NE2 3.97Å; W143-H179 AromaticContact CG-NE2 3.87Å; W143-H179 AromaticContact CH2-CE1 3.43Å; W143-H179 VanDerWaalsContact CH2-CE1 3.43Å; W143-H179 WeakPolarHBondContact CH2-CE1 3.47Å; W143-H179 AromaticContact CH2-ND1 3.64Å; W143-H179 HydrophobicContact CZ2-CB 4.42Å; W143-H179 AromaticContact CZ2-CD2 3.92Å; W143-H179 AromaticContact CZ2-CE1 3.3Å; W143-H179 WeakPolarHBondContact CZ2-CE1 3.47Å; W143-H179 AromaticContact CZ2-CG 3.7Å; W143-H179 AromaticContact CZ2-ND1 3.35Å; W143-H179 WeakPolarHBondContact CZ2-ND1 3.47Å; W143-H179 AromaticContact CZ2-NE2 3.7Å; W143-H179 AromaticContact CZ3-CE1 3.66Å; W143-H179 AromaticContact NE1-CD2 3.44Å; W143-H179 PolarHBondContact NE1-CD2 3.34Å; W143-H179 AromaticContact NE1-CG 3.97Å; W143-H179 AromaticContact NE1-NE2 3.54Å; W143-H179 PolarHBondContact O-NE2 3.05Å; W143-F182 PolarHBondContact NE1-O 3.3Å; W143-P185 HydrophobicContact CB-CB 3.88Å; W143-P185 HydrophobicContact CB-CG 3.97Å; W143-P185 HydrophobicContact CD2-CG 3.74Å; W143-P185 HydrophobicContact CE3-CG 3.8Å; W143-P185 HydrophobicContact CG-CB 4.09Å; W143-P185 HydrophobicContact CG-CG 3.83Å; W143-L188 VanDerWaalsContact CA-CD2 3.48Å; W143-L188 HydrophobicContact CB-CD2 3.79Å; W143-L188 HydrophobicContact CG-CD2 4.33Å
144	D	98.9	Very high	98.8	Very high	67 Å²	67	43.4 Å²	43.4	36%	0.358	21%	0.206	S	C	.	.	H	α-helix	trans	-64	-45.3	-179.4	-85.6	-31.4	0	0	0	112.8	E140 Q141 W142 C146 R147	E140-D144 PolarHBondContact O-N 2.93Å; Q141-D144 PolarHBondContact O-N 3.45Å; W142-D144 PolarHBondContact O-N 2.89Å; D144-C146 PolarHBondContact O-N 3.11Å; D144-R147 WeakPolarHBondContact O-CB 3.5Å; D144-R147 PolarHBondContact O-N 3.19Å; D144-R147 IonicContact OD1-CZ 3.8Å; D144-R147 IonicContact OD1-NH2 2.75Å; D144-R147 PolarHBondContact OD1-NH2 3.37Å
145	D	98.9	Very high	98.8	Very high	47 Å²	47	45.5 Å²	45.5	25%	0.251	22%	0.218	S	C	.	.	H	α-helix	trans	-69	-18.1	-179.9	-76	-13.4	0	0	0	113.4	A95 C96 R98 H99 Q141	A95-D145 HydrophobicContact CB-CB 4.18Å; A95-D145 WeakPolarHBondContact O-CB 3.27Å; C96-D145 WeakPolarHBondContact CB-O 3.43Å; R98-D145 IonicContact CZ-OD2 2.78Å; R98-D145 IonicContact NE-OD2 3.6Å; R98-D145 PolarHBondContact NE-OD2 2.93Å; R98-D145 IonicContact NH2-OD2 3.83Å; R98-D145 PolarHBondContact NH2-OD2 2.96Å; H99-D145 IonicContact CD2-OD2 3.18Å; H99-D145 IonicContact CE1-OD2 2.91Å; H99-D145 IonicContact NE2-OD2 2.68Å; H99-D145 PolarHBondContact NE2-OD2 3.48Å; Q141-D145 WeakPolarHBondContact O-CB 3.36Å; Q141-D145 PolarHBondContact O-N 3.22Å
146	C	98.9	Very high	98.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.6	173.9	-70.9	0	0	0	0	114.3	C96 W142 W143 D144 T148 S149 F178	C96-C146 VanDerWaalsContact CA-SG 3.53Å; C96-C146 HydrophobicContact CB-CB 3.92Å; C96-C146 WeakPolarHBondContact CB-SG 3.41Å; C96-C146 VanDerWaalsContact SG-CA 3.5Å; C96-C146 WeakPolarHBondContact SG-CB 3.34Å; C96-C146 CovalentContact SG-SG 2.04Å; C96-C146 PolarHBondContact SG-SG 3.12Å; W142-C146 VanDerWaalsContact CD1-SG 3.55Å; W142-C146 WeakPolarHBondContact O-CB 3.47Å; W142-C146 PolarHBondContact O-N 2.97Å; W142-C146 PolarHBondContact O-SG 3.37Å; W142-C146 VanDerWaalsContact O-SG 3.39Å; W143-C146 PolarHBondContact O-N 3.43Å; D144-C146 PolarHBondContact O-N 3.11Å; C146-T148 PolarHBondContact O-N 3.24Å; C146-T148 VanDerWaalsContact O-N 3.12Å; C146-S149 WeakPolarHBondContact O-CB 3.44Å; C146-S149 PolarHBondContact O-N 2.95Å; C146-F178 HydrophobicContact CB-CB 4.47Å; C146-F178 HydrophobicContact CB-CD1 3.51Å; C146-F178 HydrophobicContact CB-CD2 4.4Å; C146-F178 HydrophobicContact CB-CE1 3.66Å; C146-F178 HydrophobicContact CB-CG 3.9Å; C146-F178 HydrophobicContact CB-CZ 4.22Å; C146-F178 WeakPolarHBondContact O-CB 3.33Å
147	R	98.6	Very high	98.6	Very high	142 Å²	142	44.2 Å²	44.2	54%	0.536	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-36.9	-178.2	-175.2	179.6	-63.3	162.8	4.7	114.1	D144	D144-R147 WeakPolarHBondContact O-CB 3.5Å; D144-R147 PolarHBondContact O-N 3.19Å; D144-R147 IonicContact OD1-CZ 3.8Å; D144-R147 IonicContact OD1-NH2 2.75Å; D144-R147 PolarHBondContact OD1-NH2 3.37Å
148	T	98.6	Very high	98.4	Very high	101 Å²	101	48.6 Å²	48.6	62%	0.62	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-4.6	-177.4	60.6	0	0	0	0	113.9	C146	C146-T148 PolarHBondContact O-N 3.24Å; C146-T148 VanDerWaalsContact O-N 3.12Å
149	S	98.8	Very high	98.3	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.007	25%	0.253	C	S	.	.			trans	-87.2	172.3	177.3	-66.3	0	0	0	0	111	A93 C96 C146 F178	A93-S149 PolarHBondContact N-OG 3.48Å; A93-S149 VanDerWaalsContact N-OG 3.13Å; C96-S149 WeakPolarHBondContact CB-OG 3.33Å; C146-S149 WeakPolarHBondContact O-CB 3.44Å; C146-S149 PolarHBondContact O-N 2.95Å; S149-F178 WeakPolarHBondContact O-CB 3.46Å; S149-F178 PolarHBondContact O-N 3.28Å
150	Y	98.9	Very high	98.2	Very high	118 Å²	118	51.4 Å²	51.4	46%	0.463	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.9	-178.5	-67.9	-101.6	0	0	0	110.8	Q176 P177	Y150-Q176 VanDerWaalsContact CA-O 3.31Å; Y150-Q176 WeakPolarHBondContact CA-O 3.04Å; Y150-Q176 VanDerWaalsContact CD1-C 3.42Å; Y150-Q176 WeakPolarHBondContact CD1-O 3.38Å; Y150-P177 HydrophobicContact CD1-CG 4.4Å; Y150-P177 HydrophobicContact CE1-CB 4.39Å; Y150-P177 HydrophobicContact CE1-CG 3.86Å
151	T	98.9	Very high	98.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	170.4	171	-168.8	0	0	0	0	110.5	H88 K153 W156 C175 Q176 F178 Y181 F182	H88-T151 PolarHBondContact NE2-OG1 3.15Å; T151-K153 PolarHBondContact OG1-N 2.96Å; T151-K153 PolarHBondContact OG1-O 3.05Å; T151-W156 WeakPolarHBondContact OG1-CZ2 3.31Å; T151-W156 PolarHBondContact OG1-NE1 3.43Å; T151-C175 WeakPolarHBondContact O-CA 3.49Å; T151-Q176 PolarHBondContact N-O 2.96Å; T151-Q176 PolarHBondContact O-N 3.38Å; T151-Q176 VanDerWaalsContact O-O 3.09Å; T151-F178 HydrophobicContact CG2-CD2 4.1Å; T151-F178 HydrophobicContact CG2-CE2 4.41Å; T151-Y181 HydrophobicContact CG2-CD2 3.62Å; T151-Y181 HydrophobicContact CG2-CG 3.97Å; T151-Y181 WeakPolarHBondContact O-CD2 3.48Å; T151-Y181 VanDerWaalsContact O-CE2 3.25Å; T151-Y181 WeakPolarHBondContact O-CE2 3.33Å; T151-F182 HydrophobicContact CG2-CD2 4.39Å; T151-F182 HydrophobicContact CG2-CE2 4.03Å
152	C	98.8	Very high	98.1	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.02	25%	0.254	C	S	.	.	S	Bend	trans	-120.7	3.2	177.7	57.1	0	0	0	0	112.8	C169 A173 A174 Y181	C152-C169 HydrophobicContact CB-CB 3.84Å; C152-C169 WeakPolarHBondContact CB-SG 3.42Å; C152-C169 VanDerWaalsContact SG-CA 3.53Å; C152-C169 WeakPolarHBondContact SG-CB 3.5Å; C152-C169 CovalentContact SG-SG 2.03Å; C152-C169 PolarHBondContact SG-SG 3.39Å; C152-A173 HydrophobicContact CB-CB 4.12Å; C152-A174 WeakPolarHBondContact CA-O 3.2Å; C152-A174 WeakPolarHBondContact CB-O 3.25Å; C152-Y181 PolarHBondContact O-OH 3.08Å
153	K	98.6	Very high	98	Very high	31 Å²	31	57.7 Å²	57.7	14%	0.135	29%	0.292	C	S	.	.			trans	-149.9	148	-173.5	-67.6	174.1	57.5	65.6	0	111.5	T151 N155 W156 K158 G159 W160 P170	T151-K153 PolarHBondContact OG1-N 2.96Å; T151-K153 PolarHBondContact OG1-O 3.05Å; K153-N155 WeakPolarHBondContact CE-O 3.37Å; K153-W156 PolarHBondContact O-NE1 3.49Å; K153-K158 WeakPolarHBondContact CE-O 3.43Å; K153-K158 PolarHBondContact NZ-O 2.92Å; K153-G159 WeakPolarHBondContact CE-O 3.36Å; K153-G159 PolarHBondContact NZ-O 3.37Å; K153-G159 VanDerWaalsContact NZ-O 3.08Å; K153-W160 HydrophobicContact CD-CD2 3.81Å; K153-W160 HydrophobicContact CD-CE3 3.75Å; K153-W160 HydrophobicContact CD-CG 4.49Å; K153-W160 HydrophobicContact CD-CH2 4.02Å; K153-W160 HydrophobicContact CD-CZ2 4.08Å; K153-W160 HydrophobicContact CD-CZ3 3.86Å; K153-P170 HydrophobicContact CD-CG 4.23Å
154	S	98.3	Very high	97.9	Very high	54 Å²	54	58 Å²	58	38%	0.378	30%	0.301	S	S	.	.	S	Bend	trans	-96.5	-17.3	170.7	53.9	0	0	0	0	114.1	F182 E191 I192	S154-F182 WeakPolarHBondContact O-CE1 2.96Å; S154-E191 CarbonylContact O-C 3.57Å; S154-I192 WeakPolarHBondContact O-CA 3.34Å
155	N	98.1	Very high	97.8	Very high	45 Å²	45	56.3 Å²	56.3	24%	0.241	30%	0.299	C	S	.	.			trans	-115.4	114	172.4	-178.5	-38.5	0	0	0	109.5	K153 H157 K158 T194	K153-N155 WeakPolarHBondContact CE-O 3.37Å; N155-H157 PolarHBondContact OD1-N 3.19Å; N155-K158 PolarHBondContact OD1-N 3.42Å; N155-T194 PolarHBondContact ND2-OG1 3.4Å; N155-T194 PolarHBondContact OD1-OG1 3.31Å
156	W	98.5	Very high	97.7	Very high	3 Å²	3	56.9 Å²	56.9	1%	0.011	30%	0.3	C	S	.	.	S	Bend	trans	-98.3	-1.8	-174.9	-72.7	24.6	0	0	0	113.7	F84 W86 H88 M92 F100 T151 K153 W160 F178 F182 I192 W193	F84-W156 AromaticContact CE1-CE3 3.6Å; F84-W156 HydrophobicContact CE1-CE3 3.6Å; F84-W156 AromaticContact CE1-CZ3 3.83Å; F84-W156 HydrophobicContact CE1-CZ3 3.83Å; F84-W156 HydrophobicContact CZ-CB 4.22Å; F84-W156 HydrophobicContact CZ-CD2 4.01Å; F84-W156 AromaticContact CZ-CE3 3.43Å; F84-W156 HydrophobicContact CZ-CE3 3.43Å; F84-W156 VanDerWaalsContact CZ-CE3 3.43Å; F84-W156 HydrophobicContact CZ-CG 4.38Å; F84-W156 HydrophobicContact CZ-CZ3 4.14Å; W86-W156 AromaticContact CE3-CZ3 3.84Å; W86-W156 HydrophobicContact CE3-CZ3 3.84Å; W86-W156 HydrophobicContact CZ3-CE3 4.19Å; W86-W156 AromaticContact CZ3-CZ3 3.85Å; W86-W156 HydrophobicContact CZ3-CZ3 3.85Å; H88-W156 AromaticContact CE1-CE2 3.98Å; H88-W156 AromaticContact CE1-CH2 3.42Å; H88-W156 VanDerWaalsContact CE1-CH2 3.42Å; H88-W156 WeakPolarHBondContact CE1-CH2 3.04Å; H88-W156 AromaticContact CE1-CZ2 3.41Å; H88-W156 VanDerWaalsContact CE1-CZ2 3.41Å; H88-W156 WeakPolarHBondContact CE1-CZ2 3.45Å; H88-W156 AromaticContact CE1-CZ3 3.99Å; H88-W156 AromaticContact NE2-CZ2 3.68Å; M92-W156 HydrophobicContact CE-CH2 3.81Å; M92-W156 HydrophobicContact CE-CZ3 4.31Å; F100-W156 HydrophobicContact CD1-CZ3 4.19Å; F100-W156 AromaticContact CE1-CE3 3.83Å; F100-W156 HydrophobicContact CE1-CE3 3.83Å; F100-W156 AromaticContact CE1-CH2 3.98Å; F100-W156 HydrophobicContact CE1-CH2 3.98Å; F100-W156 AromaticContact CE1-CZ3 3.33Å; F100-W156 HydrophobicContact CE1-CZ3 3.33Å; F100-W156 HydrophobicContact CE2-CH2 4.14Å; F100-W156 HydrophobicContact CE2-CZ3 4.19Å; F100-W156 HydrophobicContact CZ-CE3 4.16Å; F100-W156 AromaticContact CZ-CH2 3.46Å; F100-W156 HydrophobicContact CZ-CH2 3.46Å; F100-W156 VanDerWaalsContact CZ-CH2 3.46Å; F100-W156 HydrophobicContact CZ-CZ2 4.4Å; F100-W156 AromaticContact CZ-CZ3 3.33Å; F100-W156 HydrophobicContact CZ-CZ3 3.33Å; T151-W156 WeakPolarHBondContact OG1-CZ2 3.31Å; T151-W156 PolarHBondContact OG1-NE1 3.43Å; K153-W156 PolarHBondContact O-NE1 3.49Å; W156-W160 HydrophobicContact CB-CZ2 4Å; W156-W160 AromaticContact CD1-CZ2 3.77Å; W156-W160 HydrophobicContact CD2-CH2 4.47Å; W156-W160 AromaticContact CD2-CZ2 3.9Å; W156-W160 HydrophobicContact CD2-CZ2 3.9Å; W156-W160 HydrophobicContact CG-CH2 4.49Å; W156-W160 AromaticContact CG-CZ2 3.62Å; W156-W160 HydrophobicContact CG-CZ2 3.62Å; W156-W160 PolarHBondContact O-NE1 2.97Å; W156-F178 AromaticContact CH2-CE2 3.81Å; W156-F178 HydrophobicContact CH2-CE2 3.81Å; W156-F178 HydrophobicContact CH2-CZ 4.28Å; W156-F178 AromaticContact CZ2-CE2 3.66Å; W156-F178 HydrophobicContact CZ2-CE2 3.66Å; W156-F178 HydrophobicContact CZ2-CZ 4.16Å; W156-F182 AromaticContact NE1-CZ 3.98Å; W156-I192 HydrophobicContact CB-CG1 3.93Å; W156-I192 WeakPolarHBondContact CB-O 3.43Å; W156-I192 HydrophobicContact CD2-CD1 3.77Å; W156-I192 HydrophobicContact CD2-CG1 3.75Å; W156-I192 HydrophobicContact CE3-CD1 3.91Å; W156-I192 HydrophobicContact CE3-CG1 4.16Å; W156-I192 HydrophobicContact CG-CD1 4.2Å; W156-I192 HydrophobicContact CG-CG1 3.63Å; W156-I192 HydrophobicContact CH2-CD1 4.29Å; W156-I192 HydrophobicContact CZ2-CD1 4.17Å; W156-I192 HydrophobicContact CZ3-CD1 4.17Å; W156-I192 PolarHBondContact N-O 3.2Å; W156-W193 HydrophobicContact CB-CE3 4.02Å; W156-W193 HydrophobicContact CB-CH2 4.05Å; W156-W193 HydrophobicContact CB-CZ3 3.58Å; W156-W193 HydrophobicContact CE3-CH2 4.12Å; W156-W193 HydrophobicContact CE3-CZ2 4.43Å
157	H	95.4	Very high	97.7	Very high	51 Å²	51	56.9 Å²	56.9	24%	0.236	30%	0.3	C	S	.	.	S	Bend	trans	-79.9	-29.1	170.5	-84.6	142.2	0	0	0	113.4	R128 N155 W193 T194	R128-H157 PolarHBondContact NH2-CE1 3.43Å; R128-H157 VanDerWaalsContact NH2-CE1 3.3Å; N155-H157 PolarHBondContact OD1-N 3.19Å; H157-W193 AromaticContact CD2-CE3 3.82Å; H157-W193 VanDerWaalsContact CE1-C 3.49Å; H157-W193 PolarHBondContact CE1-O 2.91Å; H157-W193 PolarHBondContact ND1-O 3.09Å; H157-W193 AromaticContact NE2-CE3 3.89Å; H157-T194 PolarHBondContact ND1-OG1 2.89Å
158	K	94.5	Very high	97.7	Very high	137 Å²	137	54.7 Å²	54.7	60%	0.596	29%	0.294	S	S	*	.	S	Bend	trans	-138.6	155.1	-168.9	-64.7	-174.9	-179.3	-178.9	0	113.6	K153 N155	K153-K158 WeakPolarHBondContact CE-O 3.43Å; K153-K158 PolarHBondContact NZ-O 2.92Å; N155-K158 PolarHBondContact OD1-N 3.42Å
159	G	96.2	Very high	97.7	Very high	51 Å²	51	51.2 Å²	51.2	53%	0.526	27%	0.274	S	S	.	.			trans	76.5	31.2	172.1	0	0	0	0	0	114.2	K153 P170	K153-G159 WeakPolarHBondContact CE-O 3.36Å; K153-G159 PolarHBondContact NZ-O 3.37Å; K153-G159 VanDerWaalsContact NZ-O 3.08Å; G159-P170 WeakPolarHBondContact O-CG 3.43Å
160	W	98.2	Very high	97.6	Very high	18 Å²	18	53.1 Å²	53.1	7%	0.068	29%	0.286	C	S	.	.			trans	-88.8	154.5	167.1	-65.7	105.4	0	0	0	110.7	F84 H88 K153 W156 W162 N167	F84-W160 HydrophobicContact CE2-CZ2 4.2Å; F84-W160 AromaticContact CE2-NE1 3.75Å; F84-W160 HydrophobicContact CZ-CH2 4.45Å; F84-W160 AromaticContact CZ-CZ2 3.7Å; F84-W160 HydrophobicContact CZ-CZ2 3.7Å; H88-W160 HydrophobicContact CB-CZ3 4.07Å; H88-W160 AromaticContact CD2-CH2 3.63Å; H88-W160 AromaticContact CD2-CZ3 3.75Å; H88-W160 AromaticContact CE1-CH2 3.74Å; H88-W160 AromaticContact CG-CH2 3.71Å; H88-W160 AromaticContact CG-CZ3 3.71Å; H88-W160 AromaticContact ND1-CH2 3.76Å; H88-W160 AromaticContact NE2-CH2 3.64Å; K153-W160 HydrophobicContact CD-CD2 3.81Å; K153-W160 HydrophobicContact CD-CE3 3.75Å; K153-W160 HydrophobicContact CD-CG 4.49Å; K153-W160 HydrophobicContact CD-CH2 4.02Å; K153-W160 HydrophobicContact CD-CZ2 4.08Å; K153-W160 HydrophobicContact CD-CZ3 3.86Å; W156-W160 HydrophobicContact CB-CZ2 4Å; W156-W160 AromaticContact CD1-CZ2 3.77Å; W156-W160 HydrophobicContact CD2-CH2 4.47Å; W156-W160 AromaticContact CD2-CZ2 3.9Å; W156-W160 HydrophobicContact CD2-CZ2 3.9Å; W156-W160 HydrophobicContact CG-CH2 4.49Å; W156-W160 AromaticContact CG-CZ2 3.62Å; W156-W160 HydrophobicContact CG-CZ2 3.62Å; W156-W160 PolarHBondContact O-NE1 2.97Å; W160-W162 HydrophobicContact CB-CZ2 4.39Å; W160-N167 HydrophobicContact CB-CB 3.7Å; W160-N167 HydrophobicContact CD2-CB 3.68Å; W160-N167 HydrophobicContact CE3-CB 3.83Å; W160-N167 HydrophobicContact CG-CB 3.64Å
161	N	98.1	Very high	97.4	Very high	54 Å²	54	54.4 Å²	54.4	29%	0.289	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-85.4	121.2	164.8	-178.6	-19.7	0	0	0	109.3	T163 N167 K168	N161-T163 WeakPolarHBondContact OD1-CB 3.34Å; N161-T163 PolarHBondContact OD1-N 2.84Å; N161-T163 PolarHBondContact OD1-OG1 3.29Å; N161-N167 CarbonylContact O-C 3.41Å; N161-N167 WeakPolarHBondContact O-CA 3.33Å; N161-K168 HydrophobicContact CB-CB 4.37Å; N161-K168 PolarHBondContact N-O 3.36Å; N161-K168 PolarHBondContact O-N 2.92Å
162	W	97.4	Very high	97.1	Very high	115 Å²	115	58.4 Å²	58.4	44%	0.436	35%	0.347	S	S	.	.			trans	-109.4	8.3	-178.2	-67	96.1	0	0	0	114	F84 W160 S164 G165 F166 N167	F84-W162 HydrophobicContact CD2-CH2 4.34Å; W160-W162 HydrophobicContact CB-CZ2 4.39Å; W162-S164 PolarHBondContact O-N 2.98Å; W162-S164 VanDerWaalsContact O-N 3.11Å; W162-G165 PolarHBondContact O-N 2.97Å; W162-F166 VanDerWaalsContact CE3-C 3.47Å; W162-N167 HydrophobicContact CD2-CB 4.27Å; W162-N167 HydrophobicContact CE3-CB 4.21Å; W162-N167 HydrophobicContact CH2-CB 3.76Å; W162-N167 HydrophobicContact CZ2-CB 3.81Å; W162-N167 HydrophobicContact CZ3-CB 3.97Å; W162-N167 VanDerWaalsContact CZ3-N 3.33Å
163	T	97.4	Very high	97	Very high	131 Å²	131	59.8 Å²	59.8	80%	0.804	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.7	-173.3	-58.4	0	0	0	0	113.3	N161 G165	N161-T163 WeakPolarHBondContact OD1-CB 3.34Å; N161-T163 PolarHBondContact OD1-N 2.84Å; N161-T163 PolarHBondContact OD1-OG1 3.29Å; T163-G165 VanDerWaalsContact C-N 3.29Å; T163-G165 PolarHBondContact O-N 3.36Å
164	S	95.9	Very high	96.9	Very high	49 Å²	49	60.6 Å²	60.6	34%	0.343	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	9.1	176.8	55.9	0	0	0	0	114.6	W162 F166 K168	W162-S164 PolarHBondContact O-N 2.98Å; W162-S164 VanDerWaalsContact O-N 3.11Å; S164-F166 VanDerWaalsContact C-N 3.31Å; S164-F166 WeakPolarHBondContact O-CD1 3.43Å; S164-F166 PolarHBondContact O-N 3.41Å; S164-K168 WeakPolarHBondContact OG-CD 3.5Å; S164-K168 WeakPolarHBondContact OG-CE 3.49Å
165	G	96.3	Very high	96.9	Very high	32 Å²	32	60.9 Å²	60.9	33%	0.33	37%	0.372	S	S	.	.	S	Bend	trans	83.1	-0.1	-179.1	0	0	0	0	0	115.4	R83 W162 T163	R83-G165 WeakPolarHBondContact CB-O 3.29Å; R83-G165 WeakPolarHBondContact CD-O 3.01Å; W162-G165 PolarHBondContact O-N 2.97Å; T163-G165 VanDerWaalsContact C-N 3.29Å; T163-G165 PolarHBondContact O-N 3.36Å
166	F	97.7	Very high	96.9	Very high	59 Å²	59	62 Å²	62	26%	0.259	38%	0.376	S	S	.	.	S	Bend	trans	-145.8	160.9	173.3	57.2	-95.2	0	0	0	109.4	V78 R83 N85 W162 S164 K168	V78-F166 HydrophobicContact CG1-CB 3.45Å; V78-F166 VanDerWaalsContact CG1-CB 3.45Å; V78-F166 HydrophobicContact CG1-CD1 4.24Å; V78-F166 HydrophobicContact CG1-CG 4.03Å; V78-F166 HydrophobicContact CG2-CB 4.47Å; R83-F166 WeakPolarHBondContact O-CA 3.2Å; R83-F166 VanDerWaalsContact O-CB 3.23Å; R83-F166 WeakPolarHBondContact O-CB 3.48Å; N85-F166 HydrophobicContact CB-CD2 4.04Å; W162-F166 VanDerWaalsContact CE3-C 3.47Å; S164-F166 VanDerWaalsContact C-N 3.31Å; S164-F166 WeakPolarHBondContact O-CD1 3.43Å; S164-F166 PolarHBondContact O-N 3.41Å; F166-K168 HydrophobicContact CD2-CG 4.27Å; F166-K168 HydrophobicContact CE2-CD 4.35Å; F166-K168 VanDerWaalsContact CE2-CE 3.5Å; F166-K168 HydrophobicContact CE2-CG 3.94Å; F166-K168 PolarHBondContact O-N 3.49Å
167	N	98.3	Very high	97	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	39%	0.392	C	S	.	.			trans	-69.2	133.4	-176.5	59.9	-62.7	0	0	0	112.4	F84 N85 W160 N161 W162	F84-N167 VanDerWaalsContact CA-OD1 3.23Å; F84-N167 WeakPolarHBondContact CA-OD1 3.16Å; F84-N167 WeakPolarHBondContact CZ-ND2 3.44Å; N85-N167 PolarHBondContact N-OD1 3.39Å; N85-N167 PolarHBondContact O-ND2 2.95Å; W160-N167 HydrophobicContact CB-CB 3.7Å; W160-N167 HydrophobicContact CD2-CB 3.68Å; W160-N167 HydrophobicContact CE3-CB 3.83Å; W160-N167 HydrophobicContact CG-CB 3.64Å; N161-N167 CarbonylContact O-C 3.41Å; N161-N167 WeakPolarHBondContact O-CA 3.33Å; W162-N167 HydrophobicContact CD2-CB 4.27Å; W162-N167 HydrophobicContact CE3-CB 4.21Å; W162-N167 HydrophobicContact CH2-CB 3.76Å; W162-N167 HydrophobicContact CZ2-CB 3.81Å; W162-N167 HydrophobicContact CZ3-CB 3.97Å; W162-N167 VanDerWaalsContact CZ3-N 3.33Å
168	K	98.4	Very high	97.1	Very high	96 Å²	96	62 Å²	62	42%	0.417	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-125.1	155.6	167.7	-69.9	-176.7	173.4	177	0	109.8	N161 S164 F166	N161-K168 HydrophobicContact CB-CB 4.37Å; N161-K168 PolarHBondContact N-O 3.36Å; N161-K168 PolarHBondContact O-N 2.92Å; S164-K168 WeakPolarHBondContact OG-CD 3.5Å; S164-K168 WeakPolarHBondContact OG-CE 3.49Å; F166-K168 HydrophobicContact CD2-CG 4.27Å; F166-K168 HydrophobicContact CE2-CD 4.35Å; F166-K168 VanDerWaalsContact CE2-CE 3.5Å; F166-K168 HydrophobicContact CE2-CG 3.94Å; F166-K168 PolarHBondContact O-N 3.49Å
169	C	98.5	Very high	97.3	Very high	28 Å²	28	57.2 Å²	57.2	19%	0.189	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-53.4	135.9	173.1	-64.5	0	0	0	0	110.7	C89 C152	C89-C169 VanDerWaalsContact SG-SG 3.6Å; C152-C169 HydrophobicContact CB-CB 3.84Å; C152-C169 WeakPolarHBondContact CB-SG 3.42Å; C152-C169 VanDerWaalsContact SG-CA 3.53Å; C152-C169 WeakPolarHBondContact SG-CB 3.5Å; C152-C169 CovalentContact SG-SG 2.03Å; C152-C169 PolarHBondContact SG-SG 3.39Å
170	P	97.1	Very high	97.4	Very high	40 Å²	40	61 Å²	61	26%	0.26	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-65.5	157.5	174.8	28.3	-33.8	0	0	0	110.3	K153 G159 G172 A173	K153-P170 HydrophobicContact CD-CG 4.23Å; G159-P170 WeakPolarHBondContact O-CG 3.43Å; P170-G172 PolarHBondContact O-N 2.97Å; P170-A173 HydrophobicContact CG-CB 3.73Å; P170-A173 WeakPolarHBondContact O-CB 3.46Å; P170-A173 PolarHBondContact O-N 3.03Å; P170-A173 VanDerWaalsContact O-N 3.08Å
171	V	93.9	Very high	97.5	Very high	146 Å²	146	62.6 Å²	62.6	89%	0.885	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	130.9	-179.9	-178.9	0	0	0	0	109.9	A173	V171-A173 VanDerWaalsContact C-N 3.3Å; V171-A173 PolarHBondContact O-N 3.08Å
172	G	92.5	Very high	97.5	Very high	83 Å²	83	60 Å²	60	86%	0.856	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-7.3	-179.3	0	0	0	0	0	115.4	P170 A174	P170-G172 PolarHBondContact O-N 2.97Å; G172-A174 PolarHBondContact O-N 3.16Å
173	A	96.8	Very high	97.6	Very high	32 Å²	32	58.4 Å²	58.4	26%	0.264	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-79.5	119.5	171.9	0	0	0	0	0	110.6	C152 P170 V171	C152-A173 HydrophobicContact CB-CB 4.12Å; P170-A173 HydrophobicContact CG-CB 3.73Å; P170-A173 WeakPolarHBondContact O-CB 3.46Å; P170-A173 PolarHBondContact O-N 3.03Å; P170-A173 VanDerWaalsContact O-N 3.08Å; V171-A173 VanDerWaalsContact C-N 3.3Å; V171-A173 PolarHBondContact O-N 3.08Å
174	A	97.1	Very high	97.6	Very high	48 Å²	48	55 Å²	55	40%	0.397	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-81.3	139.1	179.4	0	0	0	0	0	111.3	C152 G172 Q176 Y181	C152-A174 WeakPolarHBondContact CA-O 3.2Å; C152-A174 WeakPolarHBondContact CB-O 3.25Å; G172-A174 PolarHBondContact O-N 3.16Å; A174-Q176 HydrophobicContact CB-CG 4.46Å; A174-Q176 PolarHBondContact O-N 3.1Å; A174-Y181 PolarHBondContact O-OH 3.14Å
175	C	98.7	Very high	97.8	Very high	60 Å²	60	54 Å²	54	41%	0.405	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-73.7	124.2	166.3	-71.5	0	0	0	0	109.5	C89 T151	C89-C175 WeakPolarHBondContact CA-SG 3.06Å; C89-C175 HydrophobicContact CB-CB 3.67Å; C89-C175 WeakPolarHBondContact CB-SG 3.41Å; C89-C175 VanDerWaalsContact SG-CA 3.55Å; C89-C175 WeakPolarHBondContact SG-CB 3.26Å; C89-C175 CovalentContact SG-SG 2.04Å; C89-C175 PolarHBondContact SG-SG 2.91Å; T151-C175 WeakPolarHBondContact O-CA 3.49Å
176	Q	98.8	Very high	97.9	Very high	70 Å²	70	56.7 Å²	56.7	33%	0.327	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	161.4	178.4	-63.9	-64.7	-16.1	0	0	109.7	Y150 T151 A174 F180 Y181	Y150-Q176 VanDerWaalsContact CA-O 3.31Å; Y150-Q176 WeakPolarHBondContact CA-O 3.04Å; Y150-Q176 VanDerWaalsContact CD1-C 3.42Å; Y150-Q176 WeakPolarHBondContact CD1-O 3.38Å; T151-Q176 PolarHBondContact N-O 2.96Å; T151-Q176 PolarHBondContact O-N 3.38Å; T151-Q176 VanDerWaalsContact O-O 3.09Å; A174-Q176 HydrophobicContact CB-CG 4.46Å; A174-Q176 PolarHBondContact O-N 3.1Å; Q176-F180 HydrophobicContact CB-CB 3.71Å; Q176-F180 HydrophobicContact CB-CD1 3.61Å; Q176-F180 HydrophobicContact CB-CD2 4.46Å; Q176-F180 HydrophobicContact CB-CE1 4.36Å; Q176-F180 HydrophobicContact CB-CG 3.67Å; Q176-F180 HydrophobicContact CG-CD1 3.72Å; Q176-F180 HydrophobicContact CG-CE1 3.96Å; Q176-F180 HydrophobicContact CG-CG 4.03Å; Q176-F180 HydrophobicContact CG-CZ 4.45Å; Q176-Y181 HydrophobicContact CB-CD2 4.16Å; Q176-Y181 HydrophobicContact CB-CE2 3.77Å; Q176-Y181 HydrophobicContact CG-CE2 4.04Å
177	P	98.8	Very high	97.9	Very high	53 Å²	53	56.1 Å²	56.1	34%	0.344	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.2	144.6	172.1	-26.9	35.2	0	0	0	110.8	Y150 H179 F180	Y150-P177 HydrophobicContact CD1-CG 4.4Å; Y150-P177 HydrophobicContact CE1-CB 4.39Å; Y150-P177 HydrophobicContact CE1-CG 3.86Å; P177-H179 PolarHBondContact O-N 2.84Å; P177-H179 VanDerWaalsContact O-N 3.1Å; P177-F180 WeakPolarHBondContact O-CB 3.09Å; P177-F180 PolarHBondContact O-N 3.08Å
178	F	98.8	Very high	98	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-53.2	-40.2	-172.4	-154.3	-97.4	0	0	0	112.9	F100 C146 S149 T151 W156 F180 Y181 F182 L188 I192	F100-F178 HydrophobicContact CE2-CE2 4.45Å; F100-F178 HydrophobicContact CE2-CZ 4.19Å; F100-F178 HydrophobicContact CZ-CE2 4.32Å; F100-F178 AromaticContact CZ-CZ 3.88Å; F100-F178 HydrophobicContact CZ-CZ 3.88Å; C146-F178 HydrophobicContact CB-CB 4.47Å; C146-F178 HydrophobicContact CB-CD1 3.51Å; C146-F178 HydrophobicContact CB-CD2 4.4Å; C146-F178 HydrophobicContact CB-CE1 3.66Å; C146-F178 HydrophobicContact CB-CG 3.9Å; C146-F178 HydrophobicContact CB-CZ 4.22Å; C146-F178 WeakPolarHBondContact O-CB 3.33Å; S149-F178 WeakPolarHBondContact O-CB 3.46Å; S149-F178 PolarHBondContact O-N 3.28Å; T151-F178 HydrophobicContact CG2-CD2 4.1Å; T151-F178 HydrophobicContact CG2-CE2 4.41Å; W156-F178 AromaticContact CH2-CE2 3.81Å; W156-F178 HydrophobicContact CH2-CE2 3.81Å; W156-F178 HydrophobicContact CH2-CZ 4.28Å; W156-F178 AromaticContact CZ2-CE2 3.66Å; W156-F178 HydrophobicContact CZ2-CE2 3.66Å; W156-F178 HydrophobicContact CZ2-CZ 4.16Å; F178-F180 PolarHBondContact O-N 3.36Å; F178-Y181 PolarHBondContact O-N 2.79Å; F178-F182 AromaticContact CD1-CD2 3.63Å; F178-F182 HydrophobicContact CD1-CD2 3.63Å; F178-F182 HydrophobicContact CD1-CE2 4.32Å; F178-F182 AromaticContact CE1-CD2 3.41Å; F178-F182 HydrophobicContact CE1-CD2 3.41Å; F178-F182 VanDerWaalsContact CE1-CD2 3.41Å; F178-F182 AromaticContact CE1-CE2 3.79Å; F178-F182 HydrophobicContact CE1-CE2 3.79Å; F178-F182 HydrophobicContact CE1-CG 4.29Å; F178-F182 HydrophobicContact CE2-CD2 4.42Å; F178-F182 HydrophobicContact CE2-CE2 4.18Å; F178-F182 HydrophobicContact CG-CD2 4.24Å; F178-F182 AromaticContact CZ-CD2 3.82Å; F178-F182 HydrophobicContact CZ-CD2 3.82Å; F178-F182 AromaticContact CZ-CE2 3.68Å; F178-F182 HydrophobicContact CZ-CE2 3.68Å; F178-F182 WeakPolarHBondContact O-CD2 3.37Å; F178-F182 PolarHBondContact O-N 3.17Å; F178-F182 VanDerWaalsContact O-N 3.08Å; F178-L188 HydrophobicContact CE1-CD1 3.47Å; F178-L188 VanDerWaalsContact CE1-CD1 3.47Å; F178-L188 HydrophobicContact CE1-CD2 3.95Å; F178-L188 HydrophobicContact CE1-CG 4.32Å; F178-L188 HydrophobicContact CZ-CD1 3.89Å; F178-I192 HydrophobicContact CZ-CD1 4.16Å
179	H	98.8	Very high	98	Very high	37 Å²	37	51.6 Å²	51.6	17%	0.171	32%	0.318	C	S	.	.	H	α-helix	trans	-69.9	-13.8	179.6	-67.1	-173.4	0	0	0	114.1	W143 P177 F182 P183	W143-H179 AromaticContact CD1-CD2 3.98Å; W143-H179 AromaticContact CD1-NE2 3.87Å; W143-H179 AromaticContact CD2-CE1 3.68Å; W143-H179 AromaticContact CD2-NE2 3.47Å; W143-H179 AromaticContact CE2-CD2 3.58Å; W143-H179 AromaticContact CE2-CE1 3.41Å; W143-H179 VanDerWaalsContact CE2-CE1 3.41Å; W143-H179 AromaticContact CE2-CG 3.86Å; W143-H179 AromaticContact CE2-ND1 3.81Å; W143-H179 AromaticContact CE2-NE2 3.3Å; W143-H179 VanDerWaalsContact CE2-NE2 3.3Å; W143-H179 AromaticContact CE3-CE1 3.77Å; W143-H179 AromaticContact CE3-NE2 3.97Å; W143-H179 AromaticContact CG-NE2 3.87Å; W143-H179 AromaticContact CH2-CE1 3.43Å; W143-H179 VanDerWaalsContact CH2-CE1 3.43Å; W143-H179 WeakPolarHBondContact CH2-CE1 3.47Å; W143-H179 AromaticContact CH2-ND1 3.64Å; W143-H179 HydrophobicContact CZ2-CB 4.42Å; W143-H179 AromaticContact CZ2-CD2 3.92Å; W143-H179 AromaticContact CZ2-CE1 3.3Å; W143-H179 WeakPolarHBondContact CZ2-CE1 3.47Å; W143-H179 AromaticContact CZ2-CG 3.7Å; W143-H179 AromaticContact CZ2-ND1 3.35Å; W143-H179 WeakPolarHBondContact CZ2-ND1 3.47Å; W143-H179 AromaticContact CZ2-NE2 3.7Å; W143-H179 AromaticContact CZ3-CE1 3.66Å; W143-H179 AromaticContact NE1-CD2 3.44Å; W143-H179 PolarHBondContact NE1-CD2 3.34Å; W143-H179 AromaticContact NE1-CG 3.97Å; W143-H179 AromaticContact NE1-NE2 3.54Å; W143-H179 PolarHBondContact O-NE2 3.05Å; P177-H179 PolarHBondContact O-N 2.84Å; P177-H179 VanDerWaalsContact O-N 3.1Å; H179-F182 WeakPolarHBondContact CA-O 2.91Å; H179-F182 CarbonylContact O-C 3.26Å; H179-F182 VanDerWaalsContact O-C 3.26Å; H179-P183 WeakPolarHBondContact O-CA 3.23Å
180	F	98.8	Very high	98	Very high	131 Å²	131	51.4 Å²	51.4	58%	0.575	32%	0.315	S	S	*	.	H	α-helix	trans	-65.7	-46.5	171.1	179.9	-90.4	0	0	0	111.3	Q176 P177 F178	Q176-F180 HydrophobicContact CB-CB 3.71Å; Q176-F180 HydrophobicContact CB-CD1 3.61Å; Q176-F180 HydrophobicContact CB-CD2 4.46Å; Q176-F180 HydrophobicContact CB-CE1 4.36Å; Q176-F180 HydrophobicContact CB-CG 3.67Å; Q176-F180 HydrophobicContact CG-CD1 3.72Å; Q176-F180 HydrophobicContact CG-CE1 3.96Å; Q176-F180 HydrophobicContact CG-CG 4.03Å; Q176-F180 HydrophobicContact CG-CZ 4.45Å; P177-F180 WeakPolarHBondContact O-CB 3.09Å; P177-F180 PolarHBondContact O-N 3.08Å; F178-F180 PolarHBondContact O-N 3.36Å
181	Y	98.8	Very high	98.1	Very high	50 Å²	50	52.1 Å²	52.1	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-82.8	-21.2	177.9	-76.2	-77.9	0	0	0	112.9	T151 C152 A174 Q176 F178	T151-Y181 HydrophobicContact CG2-CD2 3.62Å; T151-Y181 HydrophobicContact CG2-CG 3.97Å; T151-Y181 WeakPolarHBondContact O-CD2 3.48Å; T151-Y181 VanDerWaalsContact O-CE2 3.25Å; T151-Y181 WeakPolarHBondContact O-CE2 3.33Å; C152-Y181 PolarHBondContact O-OH 3.08Å; A174-Y181 PolarHBondContact O-OH 3.14Å; Q176-Y181 HydrophobicContact CB-CD2 4.16Å; Q176-Y181 HydrophobicContact CB-CE2 3.77Å; Q176-Y181 HydrophobicContact CG-CE2 4.04Å; F178-Y181 PolarHBondContact O-N 2.79Å
182	F	98.8	Very high	98.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.273	C	S	.	.			trans	-127.6	79.9	179.2	-57.6	-68	0	0	0	110.8	W143 T151 S154 W156 F178 H179 T184 V187 L188 I192	W143-F182 PolarHBondContact NE1-O 3.3Å; T151-F182 HydrophobicContact CG2-CD2 4.39Å; T151-F182 HydrophobicContact CG2-CE2 4.03Å; S154-F182 WeakPolarHBondContact O-CE1 2.96Å; W156-F182 AromaticContact NE1-CZ 3.98Å; F178-F182 AromaticContact CD1-CD2 3.63Å; F178-F182 HydrophobicContact CD1-CD2 3.63Å; F178-F182 HydrophobicContact CD1-CE2 4.32Å; F178-F182 AromaticContact CE1-CD2 3.41Å; F178-F182 HydrophobicContact CE1-CD2 3.41Å; F178-F182 VanDerWaalsContact CE1-CD2 3.41Å; F178-F182 AromaticContact CE1-CE2 3.79Å; F178-F182 HydrophobicContact CE1-CE2 3.79Å; F178-F182 HydrophobicContact CE1-CG 4.29Å; F178-F182 HydrophobicContact CE2-CD2 4.42Å; F178-F182 HydrophobicContact CE2-CE2 4.18Å; F178-F182 HydrophobicContact CG-CD2 4.24Å; F178-F182 AromaticContact CZ-CD2 3.82Å; F178-F182 HydrophobicContact CZ-CD2 3.82Å; F178-F182 AromaticContact CZ-CE2 3.68Å; F178-F182 HydrophobicContact CZ-CE2 3.68Å; F178-F182 WeakPolarHBondContact O-CD2 3.37Å; F178-F182 PolarHBondContact O-N 3.17Å; F178-F182 VanDerWaalsContact O-N 3.08Å; H179-F182 WeakPolarHBondContact CA-O 2.91Å; H179-F182 CarbonylContact O-C 3.26Å; H179-F182 VanDerWaalsContact O-C 3.26Å; F182-T184 PolarHBondContact O-N 3.17Å; F182-V187 HydrophobicContact CD1-CG1 4.3Å; F182-L188 HydrophobicContact CB-CB 3.97Å; F182-L188 HydrophobicContact CB-CD1 4.46Å; F182-L188 VanDerWaalsContact CD1-CA 3.47Å; F182-L188 HydrophobicContact CD1-CB 4.16Å; F182-L188 HydrophobicContact CD1-CD1 3.98Å; F182-L188 HydrophobicContact CD2-CD1 3.88Å; F182-L188 HydrophobicContact CE1-CD1 4.07Å; F182-L188 HydrophobicContact CE2-CD1 3.99Å; F182-L188 HydrophobicContact CG-CB 4.12Å; F182-L188 HydrophobicContact CG-CD1 3.85Å; F182-L188 HydrophobicContact CZ-CD1 4.08Å; F182-I192 HydrophobicContact CE1-CB 3.91Å; F182-I192 HydrophobicContact CE1-CG1 4.33Å; F182-I192 HydrophobicContact CE2-CD1 4.09Å; F182-I192 HydrophobicContact CZ-CB 3.86Å; F182-I192 HydrophobicContact CZ-CD1 3.76Å; F182-I192 HydrophobicContact CZ-CG1 3.75Å
183	P	98.8	Very high	98.6	Very high	81 Å²	81	42.4 Å²	42.4	53%	0.526	24%	0.237	S	C	.	.			trans	-66.2	-21.1	-171.8	-24.4	36.2	0	0	0	114.9	H179	H179-P183 WeakPolarHBondContact O-CA 3.23Å
184	T	98.9	Very high	98.6	Very high	61 Å²	61	42.5 Å²	42.5	37%	0.374	23%	0.234	S	C	.	.	S	Bend	trans	-138.8	160.7	178	73	0	0	0	0	110.7	F182 I186 V187 L188	F182-T184 PolarHBondContact O-N 3.17Å; T184-I186 VanDerWaalsContact C-N 3.28Å; T184-I186 PolarHBondContact O-N 3.28Å; T184-V187 PolarHBondContact O-N 3.1Å; T184-V187 VanDerWaalsContact O-N 3.14Å; T184-V187 WeakPolarHBondContact OG1-CG2 3.22Å; T184-V187 PolarHBondContact OG1-N 3.37Å; T184-L188 PolarHBondContact O-N 2.95Å; T184-L188 VanDerWaalsContact O-N 3.07Å
185	P	98.9	Very high	98.7	Very high	26 Å²	26	45.2 Å²	45.2	17%	0.169	24%	0.235	C	C	.	.	H	α-helix	trans	-54.2	-44.6	174.2	-26.3	33.4	0	0	0	112.7	C139 E140 W143 V187 L188 C189	C139-P185 PolarHBondContact SG-O 3.28Å; E140-P185 HydrophobicContact CG-CB 4.09Å; E140-P185 HydrophobicContact CG-CG 4.06Å; W143-P185 HydrophobicContact CB-CB 3.88Å; W143-P185 HydrophobicContact CB-CG 3.97Å; W143-P185 HydrophobicContact CD2-CG 3.74Å; W143-P185 HydrophobicContact CE3-CG 3.8Å; W143-P185 HydrophobicContact CG-CB 4.09Å; W143-P185 HydrophobicContact CG-CG 3.83Å; P185-V187 VanDerWaalsContact C-N 3.3Å; P185-V187 PolarHBondContact O-N 3.45Å; P185-L188 WeakPolarHBondContact O-CB 3.29Å; P185-L188 PolarHBondContact O-N 3.28Å; P185-L188 VanDerWaalsContact O-N 3.1Å; P185-C189 PolarHBondContact O-N 3.3Å; P185-C189 PolarHBondContact O-SG 2.85Å; P185-C189 VanDerWaalsContact O-SG 3.35Å
186	I	98.7	Very high	98.7	Very high	89 Å²	89	42.6 Å²	42.6	46%	0.456	22%	0.218	S	C	.	.	H	α-helix	trans	-59.6	-42.6	179.6	-61.6	175	0	0	0	111	T184 N190 V199	T184-I186 VanDerWaalsContact C-N 3.28Å; T184-I186 PolarHBondContact O-N 3.28Å; I186-N190 WeakPolarHBondContact CG2-ND2 3.15Å; I186-N190 WeakPolarHBondContact O-CB 3.39Å; I186-N190 VanDerWaalsContact O-CG 3.26Å; I186-N190 PolarHBondContact O-N 3.47Å; I186-V199 HydrophobicContact CG1-CB 4.39Å; I186-V199 HydrophobicContact CG1-CG1 4.5Å
187	V	98.8	Very high	98.7	Very high	48 Å²	48	39.4 Å²	39.4	29%	0.291	20%	0.203	S	C	.	.	H	α-helix	trans	-64.1	-41.6	177.3	175.8	0	0	0	0	110.6	F182 T184 P185 E191	F182-V187 HydrophobicContact CD1-CG1 4.3Å; T184-V187 PolarHBondContact O-N 3.1Å; T184-V187 VanDerWaalsContact O-N 3.14Å; T184-V187 WeakPolarHBondContact OG1-CG2 3.22Å; T184-V187 PolarHBondContact OG1-N 3.37Å; P185-V187 VanDerWaalsContact C-N 3.3Å; P185-V187 PolarHBondContact O-N 3.45Å; V187-E191 HydrophobicContact CG1-CG 4.06Å; V187-E191 WeakPolarHBondContact O-CB 3.37Å; V187-E191 VanDerWaalsContact O-CG 3.29Å; V187-E191 WeakPolarHBondContact O-CG 3.39Å; V187-E191 PolarHBondContact O-N 3.4Å
188	L	98.9	Very high	98.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-55.8	-63.9	173.6	172.3	57.1	0	0	0	111.8	W142 W143 F178 F182 T184 P185 N190 E191 I192	W142-L188 HydrophobicContact CD2-CD2 4.15Å; W142-L188 HydrophobicContact CG-CD2 4Å; W143-L188 VanDerWaalsContact CA-CD2 3.48Å; W143-L188 HydrophobicContact CB-CD2 3.79Å; W143-L188 HydrophobicContact CG-CD2 4.33Å; F178-L188 HydrophobicContact CE1-CD1 3.47Å; F178-L188 VanDerWaalsContact CE1-CD1 3.47Å; F178-L188 HydrophobicContact CE1-CD2 3.95Å; F178-L188 HydrophobicContact CE1-CG 4.32Å; F178-L188 HydrophobicContact CZ-CD1 3.89Å; F182-L188 HydrophobicContact CB-CB 3.97Å; F182-L188 HydrophobicContact CB-CD1 4.46Å; F182-L188 VanDerWaalsContact CD1-CA 3.47Å; F182-L188 HydrophobicContact CD1-CB 4.16Å; F182-L188 HydrophobicContact CD1-CD1 3.98Å; F182-L188 HydrophobicContact CD2-CD1 3.88Å; F182-L188 HydrophobicContact CE1-CD1 4.07Å; F182-L188 HydrophobicContact CE2-CD1 3.99Å; F182-L188 HydrophobicContact CG-CB 4.12Å; F182-L188 HydrophobicContact CG-CD1 3.85Å; F182-L188 HydrophobicContact CZ-CD1 4.08Å; T184-L188 PolarHBondContact O-N 2.95Å; T184-L188 VanDerWaalsContact O-N 3.07Å; P185-L188 WeakPolarHBondContact O-CB 3.29Å; P185-L188 PolarHBondContact O-N 3.28Å; P185-L188 VanDerWaalsContact O-N 3.1Å; L188-N190 VanDerWaalsContact C-N 3.33Å; L188-N190 PolarHBondContact O-N 3.5Å; L188-E191 PolarHBondContact O-N 3.4Å; L188-I192 HydrophobicContact CD1-CB 4.08Å; L188-I192 HydrophobicContact CD1-CD1 3.6Å; L188-I192 HydrophobicContact CD1-CG1 4.44Å; L188-I192 HydrophobicContact CD1-CG2 4.25Å; L188-I192 VanDerWaalsContact O-CB 3.26Å; L188-I192 WeakPolarHBondContact O-CB 3.43Å; L188-I192 WeakPolarHBondContact O-CG2 3.14Å; L188-I192 PolarHBondContact O-N 2.84Å
189	C	98.8	Very high	98.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-68	-34.9	-167.3	-55.5	0	0	0	0	111.9	L134 C139 P185 Y197 V199	L134-C189 HydrophobicContact CD2-CB 4.13Å; C139-C189 WeakPolarHBondContact CA-SG 3.23Å; C139-C189 HydrophobicContact CB-CB 4.07Å; C139-C189 WeakPolarHBondContact CB-SG 3.23Å; C139-C189 WeakPolarHBondContact SG-CB 3.47Å; C139-C189 CovalentContact SG-SG 2.03Å; C139-C189 PolarHBondContact SG-SG 2.04Å; P185-C189 PolarHBondContact O-N 3.3Å; P185-C189 PolarHBondContact O-SG 2.85Å; P185-C189 VanDerWaalsContact O-SG 3.35Å; C189-Y197 WeakPolarHBondContact O-CB 3.44Å; C189-V199 HydrophobicContact CB-CG2 3.44Å; C189-V199 VanDerWaalsContact CB-CG2 3.44Å
190	N	98.8	Very high	98.6	Very high	24 Å²	24	42.9 Å²	42.9	13%	0.128	22%	0.215	C	C	.	.	H	α-helix	trans	-76	-44.5	178.4	-67.5	5.5	0	0	0	112.2	I186 L188 Y195 Y197 K198 V199	I186-N190 WeakPolarHBondContact CG2-ND2 3.15Å; I186-N190 WeakPolarHBondContact O-CB 3.39Å; I186-N190 VanDerWaalsContact O-CG 3.26Å; I186-N190 PolarHBondContact O-N 3.47Å; L188-N190 VanDerWaalsContact C-N 3.33Å; L188-N190 PolarHBondContact O-N 3.5Å; N190-Y195 HydrophobicContact CB-CD1 4.21Å; N190-Y195 HydrophobicContact CB-CE1 4.28Å; N190-Y195 VanDerWaalsContact O-CA 3.27Å; N190-Y195 WeakPolarHBondContact O-CA 3.43Å; N190-Y195 PolarHBondContact O-N 2.95Å; N190-Y197 PolarHBondContact OD1-O 3.12Å; N190-K198 WeakPolarHBondContact OD1-CA 3.22Å; N190-V199 WeakPolarHBondContact OD1-CG2 3.24Å; N190-V199 PolarHBondContact OD1-N 3.28Å
191	E	98.6	Very high	98.6	Very high	55 Å²	55	43.9 Å²	43.9	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-89.6	-34.9	-166.7	-59.2	-60	152.9	0	0	113.8	S154 V187 L188 W193 T194 Y195	S154-E191 CarbonylContact O-C 3.57Å; V187-E191 HydrophobicContact CG1-CG 4.06Å; V187-E191 WeakPolarHBondContact O-CB 3.37Å; V187-E191 VanDerWaalsContact O-CG 3.29Å; V187-E191 WeakPolarHBondContact O-CG 3.39Å; V187-E191 PolarHBondContact O-N 3.4Å; L188-E191 PolarHBondContact O-N 3.4Å; E191-W193 PolarHBondContact O-N 3.22Å; E191-W193 VanDerWaalsContact O-N 3.12Å; E191-T194 PolarHBondContact O-N 3.46Å; E191-Y195 VanDerWaalsContact CD-OH 3.27Å; E191-Y195 WeakPolarHBondContact OE1-CE1 3.27Å; E191-Y195 PolarHBondContact OE1-OH 2.89Å; E191-Y195 PolarHBondContact OE2-OH 3.42Å
192	I	98.8	Very high	98.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-42.9	-171.1	-165.7	161.9	0	0	0	111.7	F100 W142 S154 W156 F178 F182 L188	F100-I192 HydrophobicContact CE1-CD1 3.56Å; F100-I192 HydrophobicContact CZ-CD1 3.57Å; W142-I192 HydrophobicContact CH2-CG2 4.1Å; W142-I192 HydrophobicContact CZ2-CD1 4.46Å; S154-I192 WeakPolarHBondContact O-CA 3.34Å; W156-I192 HydrophobicContact CB-CG1 3.93Å; W156-I192 WeakPolarHBondContact CB-O 3.43Å; W156-I192 HydrophobicContact CD2-CD1 3.77Å; W156-I192 HydrophobicContact CD2-CG1 3.75Å; W156-I192 HydrophobicContact CE3-CD1 3.91Å; W156-I192 HydrophobicContact CE3-CG1 4.16Å; W156-I192 HydrophobicContact CG-CD1 4.2Å; W156-I192 HydrophobicContact CG-CG1 3.63Å; W156-I192 HydrophobicContact CH2-CD1 4.29Å; W156-I192 HydrophobicContact CZ2-CD1 4.17Å; W156-I192 HydrophobicContact CZ3-CD1 4.17Å; W156-I192 PolarHBondContact N-O 3.2Å; F178-I192 HydrophobicContact CZ-CD1 4.16Å; F182-I192 HydrophobicContact CE1-CB 3.91Å; F182-I192 HydrophobicContact CE1-CG1 4.33Å; F182-I192 HydrophobicContact CE2-CD1 4.09Å; F182-I192 HydrophobicContact CZ-CB 3.86Å; F182-I192 HydrophobicContact CZ-CD1 3.76Å; F182-I192 HydrophobicContact CZ-CG1 3.75Å; L188-I192 HydrophobicContact CD1-CB 4.08Å; L188-I192 HydrophobicContact CD1-CD1 3.6Å; L188-I192 HydrophobicContact CD1-CG1 4.44Å; L188-I192 HydrophobicContact CD1-CG2 4.25Å; L188-I192 VanDerWaalsContact O-CB 3.26Å; L188-I192 WeakPolarHBondContact O-CB 3.43Å; L188-I192 WeakPolarHBondContact O-CG2 3.14Å; L188-I192 PolarHBondContact O-N 2.84Å
193	W	98.4	Very high	98.6	Very high	26 Å²	26	49.7 Å²	49.7	10%	0.098	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	28.8	176.6	-59.5	133.6	0	0	0	113	F84 W86 F100 D103 R128 W142 W156 H157 E191 Y195 S196	F84-W193 HydrophobicContact CE2-CH2 4.29Å; F84-W193 HydrophobicContact CE2-CZ3 4.47Å; F84-W193 HydrophobicContact CZ-CH2 4.24Å; W86-W193 HydrophobicContact CH2-CH2 4.28Å; W86-W193 HydrophobicContact CH2-CZ2 4.1Å; W86-W193 HydrophobicContact CZ3-CH2 4.2Å; W86-W193 HydrophobicContact CZ3-CZ2 4.09Å; F100-W193 HydrophobicContact CD1-CZ2 4.15Å; F100-W193 HydrophobicContact CE1-CZ2 4.15Å; D103-W193 PolarHBondContact OD2-NE1 3.49Å; R128-W193 PolarHBondContact NH2-O 3.42Å; W142-W193 AromaticContact CH2-NE1 3.92Å; W156-W193 HydrophobicContact CB-CE3 4.02Å; W156-W193 HydrophobicContact CB-CH2 4.05Å; W156-W193 HydrophobicContact CB-CZ3 3.58Å; W156-W193 HydrophobicContact CE3-CH2 4.12Å; W156-W193 HydrophobicContact CE3-CZ2 4.43Å; H157-W193 AromaticContact CD2-CE3 3.82Å; H157-W193 VanDerWaalsContact CE1-C 3.49Å; H157-W193 PolarHBondContact CE1-O 2.91Å; H157-W193 PolarHBondContact ND1-O 3.09Å; H157-W193 AromaticContact NE2-CE3 3.89Å; E191-W193 PolarHBondContact O-N 3.22Å; E191-W193 VanDerWaalsContact O-N 3.12Å; W193-Y195 PolarHBondContact O-N 2.76Å; W193-S196 PolarHBondContact O-N 3.41Å; W193-S196 PolarHBondContact O-OG 3.49Å
194	T	97.6	Very high	98.6	Very high	34 Å²	34	50.1 Å²	50.1	21%	0.209	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	59.6	173.1	-37.8	0	0	0	0	112.1	R128 N155 H157 E191 S196	R128-T194 PolarHBondContact NH2-O 2.93Å; N155-T194 PolarHBondContact ND2-OG1 3.4Å; N155-T194 PolarHBondContact OD1-OG1 3.31Å; H157-T194 PolarHBondContact ND1-OG1 2.89Å; E191-T194 PolarHBondContact O-N 3.46Å; T194-S196 VanDerWaalsContact C-N 3.31Å; T194-S196 PolarHBondContact O-N 2.98Å
195	Y	98.3	Very high	98.5	Very high	105 Å²	105	50.4 Å²	50.4	41%	0.412	26%	0.264	S	S	.	.	S	Bend	trans	61.7	28.8	179.7	-50.9	-70.3	0	0	0	115.3	L130 N131 N190 E191 W193 Y197	L130-Y195 CarbonylContact C-O 3.41Å; L130-Y195 VanDerWaalsContact CA-O 3.32Å; L130-Y195 WeakPolarHBondContact CA-O 3.3Å; L130-Y195 WeakPolarHBondContact CD2-O 3.45Å; N131-Y195 PolarHBondContact N-O 3.23Å; N190-Y195 HydrophobicContact CB-CD1 4.21Å; N190-Y195 HydrophobicContact CB-CE1 4.28Å; N190-Y195 VanDerWaalsContact O-CA 3.27Å; N190-Y195 WeakPolarHBondContact O-CA 3.43Å; N190-Y195 PolarHBondContact O-N 2.95Å; E191-Y195 VanDerWaalsContact CD-OH 3.27Å; E191-Y195 WeakPolarHBondContact OE1-CE1 3.27Å; E191-Y195 PolarHBondContact OE1-OH 2.89Å; E191-Y195 PolarHBondContact OE2-OH 3.42Å; W193-Y195 PolarHBondContact O-N 2.76Å; Y195-Y197 PolarHBondContact O-N 3.48Å
196	S	98.6	Very high	98.5	Very high	5 Å²	5	51.4 Å²	51.4	4%	0.035	27%	0.271	C	S	.	.	S	Bend	trans	-56.9	-42.3	162.2	-74.3	0	0	0	0	110.5	R128 L130 N131 V132 W193 T194	R128-S196 PolarHBondContact NH2-OG 2.77Å; L130-S196 CarbonylContact C-O 3.56Å; N131-S196 PolarHBondContact N-O 2.53Å; N131-S196 VanDerWaalsContact N-O 3.15Å; V132-S196 PolarHBondContact N-O 3.15Å; W193-S196 PolarHBondContact O-N 3.41Å; W193-S196 PolarHBondContact O-OG 3.49Å; T194-S196 VanDerWaalsContact C-N 3.31Å; T194-S196 PolarHBondContact O-N 2.98Å
197	Y	98.8	Very high	98.5	Very high	3 Å²	3	47.5 Å²	47.5	1%	0.012	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-105.8	153.8	173.3	-57.5	-68.6	0	0	0	111.7	D103 L106 V132 L134 W142 C189 N190 Y195	D103-Y197 WeakPolarHBondContact OD1-CE2 3.3Å; D103-Y197 VanDerWaalsContact OD1-CZ 3.3Å; D103-Y197 PolarHBondContact OD1-OH 3.05Å; L106-Y197 HydrophobicContact CD2-CE1 4.03Å; L106-Y197 WeakPolarHBondContact CD2-OH 3.33Å; V132-Y197 HydrophobicContact CB-CD1 3.68Å; V132-Y197 HydrophobicContact CB-CE1 4.07Å; V132-Y197 HydrophobicContact CG1-CD1 3.87Å; V132-Y197 HydrophobicContact CG1-CE1 3.96Å; V132-Y197 WeakPolarHBondContact O-CA 3.48Å; L134-Y197 HydrophobicContact CB-CD1 3.86Å; L134-Y197 HydrophobicContact CB-CG 4.2Å; L134-Y197 HydrophobicContact CD1-CD1 4.49Å; L134-Y197 HydrophobicContact CD1-CE1 4.41Å; L134-Y197 HydrophobicContact CD2-CD1 4.41Å; L134-Y197 HydrophobicContact CD2-CD2 4.44Å; L134-Y197 HydrophobicContact CD2-CG 4.26Å; L134-Y197 HydrophobicContact CG-CD1 4.49Å; W142-Y197 HydrophobicContact CZ3-CE2 4.36Å; C189-Y197 WeakPolarHBondContact O-CB 3.44Å; N190-Y197 PolarHBondContact OD1-O 3.12Å; Y195-Y197 PolarHBondContact O-N 3.48Å
198	K	98.7	Very high	98.5	Very high	125 Å²	125	49.5 Å²	49.5	54%	0.543	26%	0.255	S	S	.	.			trans	-131	103.7	161.4	177.5	178.7	-179.9	178.8	0	106.2	N131 V132 P133 N190 S200	N131-K198 HydrophobicContact CB-CB 3.91Å; N131-K198 HydrophobicContact CB-CD 4.39Å; V132-K198 PolarHBondContact O-N 3.49Å; P133-K198 VanDerWaalsContact CA-O 3.32Å; P133-K198 WeakPolarHBondContact CA-O 3.44Å; N190-K198 WeakPolarHBondContact OD1-CA 3.22Å; K198-S200 PolarHBondContact O-N 3.46Å
199	V	98.5	Very high	98.5	Very high	24 Å²	24	49.5 Å²	49.5	15%	0.145	26%	0.255	C	S	.	.			trans	-53.2	131.2	-175.8	-178.3	0	0	0	0	110.6	C139 I186 C189 N190	C139-V199 HydrophobicContact CB-CG1 4.1Å; C139-V199 HydrophobicContact CB-CG2 3.9Å; C139-V199 WeakPolarHBondContact SG-CG2 3.46Å; I186-V199 HydrophobicContact CG1-CB 4.39Å; I186-V199 HydrophobicContact CG1-CG1 4.5Å; C189-V199 HydrophobicContact CB-CG2 3.44Å; C189-V199 VanDerWaalsContact CB-CG2 3.44Å; N190-V199 WeakPolarHBondContact OD1-CG2 3.24Å; N190-V199 PolarHBondContact OD1-N 3.28Å
200	S	98.4	Very high	98.5	Very high	13 Å²	13	49.5 Å²	49.5	9%	0.091	26%	0.255	C	S	.	.			trans	-85.8	148.7	177.7	-168.6	0	0	0	0	110.5	L134 K198 Y202	L134-S200 WeakPolarHBondContact O-CB 3.17Å; L134-S200 PolarHBondContact O-N 3.03Å; K198-S200 PolarHBondContact O-N 3.46Å; S200-Y202 PolarHBondContact O-N 2.88Å; S200-Y202 WeakPolarHBondContact OG-CD2 3.41Å; S200-Y202 PolarHBondContact OG-N 3.5Å
201	N	97.8	Very high	98.5	Very high	152 Å²	152	49.1 Å²	49.1	81%	0.813	25%	0.253	S	S	*	.	S	Bend	trans	-76.6	-9.6	168.6	-67.7	-11.4	0	0	0	112.2
202	Y	98.6	Very high	98.4	Very high	119 Å²	119	46.5 Å²	46.5	47%	0.467	24%	0.241	S	C	.	.	S	Bend	trans	-80.3	141.6	177	-67.3	-78.3	0	0	0	111.5	K136 S200 R208 C209	K136-Y202 PolarHBondContact N-O 2.82Å; S200-Y202 PolarHBondContact O-N 2.88Å; S200-Y202 WeakPolarHBondContact OG-CD2 3.41Å; S200-Y202 PolarHBondContact OG-N 3.5Å; Y202-R208 HydrophobicContact CD1-CB 3.82Å; Y202-R208 HydrophobicContact CD1-CG 4.14Å; Y202-R208 HydrophobicContact CD2-CB 3.54Å; Y202-R208 HydrophobicContact CD2-CG 4.45Å; Y202-R208 HydrophobicContact CE1-CB 4.14Å; Y202-R208 HydrophobicContact CE1-CG 4.09Å; Y202-R208 HydrophobicContact CE2-CB 3.91Å; Y202-R208 HydrophobicContact CE2-CG 4.43Å; Y202-R208 HydrophobicContact CG-CB 3.51Å; Y202-R208 HydrophobicContact CG-CG 4.33Å; Y202-C209 PolarHBondContact O-SG 2.99Å
203	S	98.6	Very high	98.3	Very high	54 Å²	54	51.1 Å²	51.1	38%	0.378	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-84.6	162.6	175.4	-65.1	0	0	0	0	112.5	E137 S206 C209	E137-S203 WeakPolarHBondContact OE1-CB 3.44Å; E137-S203 PolarHBondContact OE1-OG 2.8Å; E137-S203 WeakPolarHBondContact OE2-CA 3.37Å; E137-S203 WeakPolarHBondContact OE2-CB 3.38Å; S203-S206 WeakPolarHBondContact O-CB 3.05Å; S203-S206 PolarHBondContact O-N 3.47Å; S203-S206 PolarHBondContact O-OG 3.37Å; S203-C209 VanDerWaalsContact C-SG 3.56Å; S203-C209 PolarHBondContact O-SG 2.81Å
204	R	98.6	Very high	98.3	Very high	89 Å²	89	50.1 Å²	50.1	34%	0.336	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	141.8	170.5	-65.2	176.6	65	88.7	-2.5	111.4	C135 E137 D138 S206 Q211 W213	C135-R204 HydrophobicContact CB-CG 3.87Å; E137-R204 HydrophobicContact CB-CG 4.19Å; E137-R204 PolarHBondContact OE2-N 2.99Å; D138-R204 IonicContact OD1-NH1 3.67Å; D138-R204 PolarHBondContact OD1-NH1 3.47Å; D138-R204 VanDerWaalsContact OD2-CD 3.23Å; D138-R204 WeakPolarHBondContact OD2-CD 3.04Å; D138-R204 WeakPolarHBondContact OD2-CG 3.39Å; D138-R204 IonicContact OD2-CZ 3.14Å; D138-R204 IonicContact OD2-NE 2.58Å; D138-R204 IonicContact OD2-NH1 3.05Å; D138-R204 PolarHBondContact OD2-NH1 3.33Å; R204-S206 VanDerWaalsContact C-N 3.26Å; R204-S206 PolarHBondContact O-N 3.27Å; R204-Q211 HydrophobicContact CG-CG 4.15Å; R204-W213 PolarHBondContact NH1-O 2.95Å; R204-W213 PolarHBondContact NH2-O 3.37Å
205	G	98.1	Very high	98.3	Very high	68 Å²	68	51.6 Å²	51.6	70%	0.701	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-4.2	-179.3	0	0	0	0	0	115.6	G207 Q211	G205-G207 VanDerWaalsContact C-N 3.25Å; G205-G207 PolarHBondContact O-N 3.39Å; G205-Q211 VanDerWaalsContact N-NE2 3.19Å
206	S	98.4	Very high	98.2	Very high	47 Å²	47	49 Å²	49	33%	0.329	26%	0.257	S	S	.	.	S	Bend	trans	-70	-15.8	178.3	59.3	0	0	0	0	115.2	S203 R204 R208	S203-S206 WeakPolarHBondContact O-CB 3.05Å; S203-S206 PolarHBondContact O-N 3.47Å; S203-S206 PolarHBondContact O-OG 3.37Å; R204-S206 VanDerWaalsContact C-N 3.26Å; R204-S206 PolarHBondContact O-N 3.27Å; S206-R208 PolarHBondContact O-N 3.03Å; S206-R208 PolarHBondContact OG-N 3.2Å; S206-R208 VanDerWaalsContact OG-N 3.16Å
207	G	98.4	Very high	98.1	Very high	6 Å²	6	53.2 Å²	53.2	6%	0.062	29%	0.292	C	S	.	.	S	Bend	trans	69.5	10	-167.7	0	0	0	0	0	113.9	G205	G205-G207 VanDerWaalsContact C-N 3.25Å; G205-G207 PolarHBondContact O-N 3.39Å
208	R	98.6	Very high	98	Very high	90 Å²	90	60.9 Å²	60.9	34%	0.34	33%	0.328	S	S	.	.	S	Bend	trans	-123.4	6.4	-173.9	-55.8	-58.1	171.2	113	-3	114.8	Y202 S206 Y229	Y202-R208 HydrophobicContact CD1-CB 3.82Å; Y202-R208 HydrophobicContact CD1-CG 4.14Å; Y202-R208 HydrophobicContact CD2-CB 3.54Å; Y202-R208 HydrophobicContact CD2-CG 4.45Å; Y202-R208 HydrophobicContact CE1-CB 4.14Å; Y202-R208 HydrophobicContact CE1-CG 4.09Å; Y202-R208 HydrophobicContact CE2-CB 3.91Å; Y202-R208 HydrophobicContact CE2-CG 4.43Å; Y202-R208 HydrophobicContact CG-CB 3.51Å; Y202-R208 HydrophobicContact CG-CG 4.33Å; S206-R208 PolarHBondContact O-N 3.03Å; S206-R208 PolarHBondContact OG-N 3.2Å; S206-R208 VanDerWaalsContact OG-N 3.16Å; R208-Y229 PolarHBondContact O-OH 3.08Å; R208-Y229 VanDerWaalsContact O-OH 3.12Å
209	C	98.9	Very high	97.9	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.007	32%	0.319	C	S	.	.	S	Bend	trans	-147.7	149.7	176.6	61	0	0	0	0	110.5	P133 C135 Y202 S203 V225	P133-C209 CarbonylContact O-C 3.5Å; P133-C209 WeakPolarHBondContact O-CA 3.43Å; P133-C209 VanDerWaalsContact O-CB 3.23Å; P133-C209 WeakPolarHBondContact O-CB 3.37Å; C135-C209 WeakPolarHBondContact CA-SG 3.28Å; C135-C209 HydrophobicContact CB-CB 3.87Å; C135-C209 WeakPolarHBondContact CB-SG 3.23Å; C135-C209 WeakPolarHBondContact SG-CB 3.19Å; C135-C209 PolarHBondContact SG-O 2.91Å; C135-C209 CovalentContact SG-SG 2.04Å; C135-C209 PolarHBondContact SG-SG 3.49Å; Y202-C209 PolarHBondContact O-SG 2.99Å; S203-C209 VanDerWaalsContact C-SG 3.56Å; S203-C209 PolarHBondContact O-SG 2.81Å; C209-V225 WeakPolarHBondContact O-CG2 3.4Å
210	I	98.9	Very high	97.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-80.4	132.6	178	-66.1	-65.7	0	0	0	109.5	L106 L113 W116 V132 P133 C135 N222 V225	L106-I210 HydrophobicContact CD1-CG2 3.95Å; L106-I210 HydrophobicContact CD2-CG2 3.8Å; L113-I210 HydrophobicContact CD2-CG2 4.28Å; W116-I210 HydrophobicContact CH2-CD1 3.86Å; W116-I210 HydrophobicContact CH2-CG1 3.76Å; W116-I210 HydrophobicContact CZ3-CD1 3.72Å; W116-I210 HydrophobicContact CZ3-CG1 3.71Å; V132-I210 HydrophobicContact CG1-CB 3.9Å; V132-I210 HydrophobicContact CG1-CG1 3.82Å; V132-I210 HydrophobicContact CG1-CG2 4.11Å; P133-I210 HydrophobicContact CG-CG1 4.39Å; P133-I210 PolarHBondContact O-N 2.76Å; C135-I210 PolarHBondContact N-O 2.83Å; C135-I210 PolarHBondContact SG-O 2.81Å; C135-I210 VanDerWaalsContact SG-O 3.41Å; I210-N222 WeakPolarHBondContact CA-OD1 3.46Å; I210-N222 HydrophobicContact CD1-CB 3.81Å; I210-V225 HydrophobicContact CD1-CB 3.92Å; I210-V225 HydrophobicContact CD1-CG1 3.7Å; I210-V225 HydrophobicContact CG1-CG1 4.07Å
211	Q	98.8	Very high	98	Very high	15 Å²	15	58 Å²	58	7%	0.07	33%	0.327	C	S	.	.			trans	-96.8	127.1	173.1	-62.3	179.7	39.3	0	0	109	C135 D138 R204 G205 W213 P221 N222	C135-Q211 HydrophobicContact CB-CG 4.48Å; C135-Q211 VanDerWaalsContact SG-CG 3.55Å; D138-Q211 WeakPolarHBondContact OD1-CA 3.36Å; R204-Q211 HydrophobicContact CG-CG 4.15Å; G205-Q211 VanDerWaalsContact N-NE2 3.19Å; Q211-W213 VanDerWaalsContact C-N 3.29Å; Q211-P221 HydrophobicContact CB-CG 4.39Å; Q211-P221 HydrophobicContact CG-CG 4.37Å; Q211-N222 PolarHBondContact N-OD1 3.16Å; Q211-N222 PolarHBondContact O-ND2 3.03Å
212	M	96.6	Very high	98	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	29%	0.288	C	S	.	.	S	Bend	trans	-67.3	-32.4	175.5	-98.8	167.5	51.4	0	0	111.7	W60 H99 Q102 D103 L106 L134 D138 W142	W60-M212 VanDerWaalsContact CH2-O 3.25Å; W60-M212 WeakPolarHBondContact CH2-O 3.44Å; H99-M212 HydrophobicContact CB-CE 4.44Å; H99-M212 VanDerWaalsContact O-CE 3.3Å; H99-M212 WeakPolarHBondContact O-CE 3.33Å; Q102-M212 HydrophobicContact CB-CE 4.18Å; D103-M212 HydrophobicContact CB-CE 3.82Å; D103-M212 HydrophobicContact CB-SD 4.26Å; L106-M212 HydrophobicContact CB-CG 4.33Å; L106-M212 HydrophobicContact CD2-CB 4.41Å; L106-M212 HydrophobicContact CD2-CG 3.58Å; L134-M212 HydrophobicContact CD1-CB 4.26Å; L134-M212 HydrophobicContact CD1-CG 3.66Å; L134-M212 HydrophobicContact CD1-SD 3.76Å; L134-M212 HydrophobicContact CD2-SD 3.96Å; D138-M212 PolarHBondContact OD1-N 3.24Å; W142-M212 HydrophobicContact CD2-CE 4.46Å; W142-M212 HydrophobicContact CE3-CE 3.95Å; W142-M212 HydrophobicContact CE3-SD 3.97Å; W142-M212 HydrophobicContact CZ3-CE 4.2Å; W142-M212 HydrophobicContact CZ3-SD 3.96Å
213	W	96.8	Very high	98	Very high	96 Å²	96	48.7 Å²	48.7	36%	0.364	28%	0.283	S	S	.	.	S	Bend	trans	-141.7	146.7	177.4	-168.1	91	0	0	0	111.2	Q102 R204 Q211	Q102-W213 HydrophobicContact CG-CB 4.17Å; Q102-W213 HydrophobicContact CG-CG 4.27Å; R204-W213 PolarHBondContact NH1-O 2.95Å; R204-W213 PolarHBondContact NH2-O 3.37Å; Q211-W213 VanDerWaalsContact C-N 3.29Å
214	F	98.4	Very high	98	Very high	5 Å²	5	51.5 Å²	51.5	2%	0.022	29%	0.29	C	S	.	.			trans	-153.6	160	-178.8	58.2	-88	0	0	0	110.7	P59 W60 P216 G219 N220 P221	P59-F214 HydrophobicContact CB-CD1 4.33Å; P59-F214 HydrophobicContact CB-CD2 4.07Å; P59-F214 HydrophobicContact CB-CE1 3.89Å; P59-F214 HydrophobicContact CB-CE2 3.61Å; P59-F214 HydrophobicContact CB-CG 4.41Å; P59-F214 HydrophobicContact CB-CZ 3.51Å; P59-F214 WeakPolarHBondContact CG-O 3.4Å; W60-F214 HydrophobicContact CZ2-CE1 4.22Å; F214-P216 WeakPolarHBondContact O-CD 2.95Å; F214-G219 WeakPolarHBondContact CD2-O 3.32Å; F214-N220 HydrophobicContact CE2-CB 3.75Å; F214-N220 HydrophobicContact CZ-CB 3.78Å; F214-P221 HydrophobicContact CB-CG 3.98Å; F214-P221 HydrophobicContact CD1-CG 4.47Å; F214-P221 HydrophobicContact CG-CG 4.16Å
215	D	97.6	Very high	98	Very high	65 Å²	65	47.3 Å²	47.3	35%	0.348	27%	0.274	S	S	.	.			trans	-78.1	113.3	173	175.9	8.4	0	0	0	110.2	A217 Q218	D215-A217 PolarHBondContact O-N 2.92Å; D215-A217 VanDerWaalsContact OD1-CB 3.31Å; D215-A217 WeakPolarHBondContact OD1-CB 3.41Å; D215-A217 PolarHBondContact OD1-N 2.8Å; D215-Q218 PolarHBondContact O-N 3.44Å; D215-Q218 VanDerWaalsContact O-N 3.1Å; D215-Q218 PolarHBondContact OD2-NE2 2.79Å
216	P	95.4	Very high	98	Very high	52 Å²	52	44.1 Å²	44.1	34%	0.338	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-65.9	-18.4	-178.4	25.2	-32.5	0	0	0	114.1	F214 Q218 G219	F214-P216 WeakPolarHBondContact O-CD 2.95Å; P216-Q218 PolarHBondContact O-N 3.25Å; P216-G219 PolarHBondContact O-N 2.9Å
217	A	96.9	Very high	98	Very high	92 Å²	92	47.8 Å²	47.8	76%	0.76	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-66.3	-25.4	175.2	0	0	0	0	0	112	D215	D215-A217 PolarHBondContact O-N 2.92Å; D215-A217 VanDerWaalsContact OD1-CB 3.31Å; D215-A217 WeakPolarHBondContact OD1-CB 3.41Å; D215-A217 PolarHBondContact OD1-N 2.8Å
218	Q	97.1	Very high	98	Very high	164 Å²	164	51 Å²	51	77%	0.766	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-94.6	4.9	178.4	-63.1	177.9	58.7	0	0	113	D215 P216	D215-Q218 PolarHBondContact O-N 3.44Å; D215-Q218 VanDerWaalsContact O-N 3.1Å; D215-Q218 PolarHBondContact OD2-NE2 2.79Å; P216-Q218 PolarHBondContact O-N 3.25Å
219	G	97.4	Very high	97.9	Very high	35 Å²	35	49.3 Å²	49.3	36%	0.361	25%	0.254	S	S	.	.			trans	83.8	170.6	-175.9	0	0	0	0	0	113.3	F214 P216 P221	F214-G219 WeakPolarHBondContact CD2-O 3.32Å; P216-G219 PolarHBondContact O-N 2.9Å; G219-P221 WeakPolarHBondContact O-CD 3.3Å
220	N	98.6	Very high	97.7	Very high	31 Å²	31	49.6 Å²	49.6	17%	0.166	26%	0.256	C	S	.	.			trans	-89.6	109.2	179.8	179.2	-5	0	0	0	110.2	N112 F214 N222 E223	N112-N220 PolarHBondContact OD1-ND2 2.99Å; F214-N220 HydrophobicContact CE2-CB 3.75Å; F214-N220 HydrophobicContact CZ-CB 3.78Å; N220-N222 PolarHBondContact O-N 3.18Å; N220-N222 VanDerWaalsContact OD1-CB 3.26Å; N220-N222 WeakPolarHBondContact OD1-CB 3.23Å; N220-N222 PolarHBondContact OD1-N 3.07Å; N220-E223 HydrophobicContact CB-CG 4.17Å; N220-E223 PolarHBondContact O-N 2.86Å
221	P	98.6	Very high	97.4	Very high	36 Å²	36	52.8 Å²	52.8	23%	0.234	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.9	-177.6	29.6	-35.4	0	0	0	112.6	Q211 F214 G219 E223 E224 V225	Q211-P221 HydrophobicContact CB-CG 4.39Å; Q211-P221 HydrophobicContact CG-CG 4.37Å; F214-P221 HydrophobicContact CB-CG 3.98Å; F214-P221 HydrophobicContact CD1-CG 4.47Å; F214-P221 HydrophobicContact CG-CG 4.16Å; G219-P221 WeakPolarHBondContact O-CD 3.3Å; P221-E223 PolarHBondContact O-N 3.18Å; P221-E224 PolarHBondContact O-N 3.24Å; P221-V225 WeakPolarHBondContact O-CG2 3.35Å
222	N	98.8	Very high	97.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-71.9	-17.3	-175.8	-62.2	-38.1	0	0	0	112.7	N112 I210 Q211 N220 V225 A226	N112-N222 HydrophobicContact CB-CB 3.97Å; I210-N222 WeakPolarHBondContact CA-OD1 3.46Å; I210-N222 HydrophobicContact CD1-CB 3.81Å; Q211-N222 PolarHBondContact N-OD1 3.16Å; Q211-N222 PolarHBondContact O-ND2 3.03Å; N220-N222 PolarHBondContact O-N 3.18Å; N220-N222 VanDerWaalsContact OD1-CB 3.26Å; N220-N222 WeakPolarHBondContact OD1-CB 3.23Å; N220-N222 PolarHBondContact OD1-N 3.07Å; N222-V225 PolarHBondContact O-N 3.11Å; N222-A226 WeakPolarHBondContact O-CB 3.05Å; N222-A226 PolarHBondContact O-N 3.33Å
223	E	98.6	Very high	96.5	Very high	76 Å²	76	59.7 Å²	59.7	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-43.3	174.7	-60.7	-176.1	-164.3	0	0	111.9	N220 P221 A226 R227	N220-E223 HydrophobicContact CB-CG 4.17Å; N220-E223 PolarHBondContact O-N 2.86Å; P221-E223 PolarHBondContact O-N 3.18Å; E223-A226 PolarHBondContact O-N 3.17Å; E223-R227 VanDerWaalsContact CB-NH2 3.34Å; E223-R227 WeakPolarHBondContact O-CG 3.09Å; E223-R227 PolarHBondContact O-N 2.95Å; E223-R227 VanDerWaalsContact O-N 3.09Å; E223-R227 IonicContact OE2-NH2 3.98Å; E223-R227 PolarHBondContact OE2-NH2 2.69Å
224	E	98.4	Very high	95.4	Very high	113 Å²	113	59.5 Å²	59.5	53%	0.528	34%	0.34	S	S	.	.	H	α-helix	trans	-64.6	-44.3	176.4	-173.3	-170.9	161	0	0	111.1	P221 A226 R227 F228	P221-E224 PolarHBondContact O-N 3.24Å; E224-A226 VanDerWaalsContact C-N 3.34Å; E224-A226 PolarHBondContact O-N 3.34Å; E224-R227 PolarHBondContact O-N 3.38Å; E224-F228 PolarHBondContact O-N 3.48Å
225	V	98.8	Very high	93.5	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.006	37%	0.369	C	S	.	.	H	α-helix	trans	-59.6	-46.6	179	-175.4	0	0	0	0	110.3	W116 C209 I210 P221 N222 R227 F228 Y229	W116-V225 HydrophobicContact CH2-CG1 4.13Å; C209-V225 WeakPolarHBondContact O-CG2 3.4Å; I210-V225 HydrophobicContact CD1-CB 3.92Å; I210-V225 HydrophobicContact CD1-CG1 3.7Å; I210-V225 HydrophobicContact CG1-CG1 4.07Å; P221-V225 WeakPolarHBondContact O-CG2 3.35Å; N222-V225 PolarHBondContact O-N 3.11Å; V225-R227 PolarHBondContact O-N 2.68Å; V225-F228 PolarHBondContact O-N 2.96Å; V225-Y229 HydrophobicContact CG1-CD2 3.91Å; V225-Y229 HydrophobicContact CG1-CE2 3.98Å; V225-Y229 WeakPolarHBondContact O-CD2 3.47Å; V225-Y229 PolarHBondContact O-N 3.05Å
226	A	98.4	Very high	91.3	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-61.4	-43.8	177.7	0	0	0	0	0	112	L34 N112 P115 N222 E223 E224 F228 Y229 A230	L34-A226 HydrophobicContact CD2-CB 3.96Å; L34-A226 WeakPolarHBondContact CD2-O 3.46Å; N112-A226 HydrophobicContact CB-CB 3.95Å; N112-A226 WeakPolarHBondContact O-CB 3.39Å; P115-A226 HydrophobicContact CG-CB 4.42Å; N222-A226 WeakPolarHBondContact O-CB 3.05Å; N222-A226 PolarHBondContact O-N 3.33Å; E223-A226 PolarHBondContact O-N 3.17Å; E224-A226 VanDerWaalsContact C-N 3.34Å; E224-A226 PolarHBondContact O-N 3.34Å; A226-F228 PolarHBondContact O-N 2.03Å; A226-Y229 PolarHBondContact O-N 3.27Å; A226-A230 WeakPolarHBondContact O-CB 3.42Å; A226-A230 PolarHBondContact O-N 3.13Å
227	R	98	Very high	89.1	Confident	125 Å²	125	61.9 Å²	61.9	47%	0.472	38%	0.382	S	S	.	.	H	α-helix	trans	-59.6	-45.2	175.6	-71.6	-178.5	-140.4	109.9	-0.3	111.6	L34 E223 E224 V225 A231	L34-R227 HydrophobicContact CD1-CG 4.04Å; L34-R227 HydrophobicContact CD2-CG 4.2Å; E223-R227 VanDerWaalsContact CB-NH2 3.34Å; E223-R227 WeakPolarHBondContact O-CG 3.09Å; E223-R227 PolarHBondContact O-N 2.95Å; E223-R227 VanDerWaalsContact O-N 3.09Å; E223-R227 IonicContact OE2-NH2 3.98Å; E223-R227 PolarHBondContact OE2-NH2 2.69Å; E224-R227 PolarHBondContact O-N 3.38Å; V225-R227 PolarHBondContact O-N 2.68Å; R227-A231 WeakPolarHBondContact O-CB 3Å; R227-A231 PolarHBondContact O-N 2.91Å
228	F	97.6	Very high	86.8	Confident	72 Å²	72	62.1 Å²	62.1	32%	0.316	38%	0.376	S	S	.	.	H	α-helix	trans	-58.6	-51.2	179	173.8	-98.6	0	0	0	111.8	E224 V225 A226 A232	E224-F228 PolarHBondContact O-N 3.48Å; V225-F228 PolarHBondContact O-N 2.96Å; A226-F228 PolarHBondContact O-N 2.03Å; F228-A232 PolarHBondContact O-N 3.25Å
229	Y	97.1	Very high	84.5	Confident	55 Å²	55	63 Å²	63	22%	0.216	37%	0.373	C	S	.	.	H	α-helix	trans	-71.9	-36.9	-178.7	-80.5	-82.2	0	0	0	113.1	W116 P133 R208 V225 A226 A231 A232 M233	W116-Y229 AromaticContact CH2-CD2 3.95Å; W116-Y229 HydrophobicContact CH2-CD2 3.95Å; W116-Y229 HydrophobicContact CH2-CG 4.27Å; W116-Y229 HydrophobicContact CZ2-CD1 4.16Å; W116-Y229 AromaticContact CZ2-CD2 3.5Å; W116-Y229 HydrophobicContact CZ2-CD2 3.5Å; W116-Y229 VanDerWaalsContact CZ2-CD2 3.5Å; W116-Y229 HydrophobicContact CZ2-CE2 4.06Å; W116-Y229 AromaticContact CZ2-CG 3.55Å; W116-Y229 HydrophobicContact CZ2-CG 3.55Å; P133-Y229 HydrophobicContact CG-CD2 4.45Å; P133-Y229 HydrophobicContact CG-CE2 3.84Å; R208-Y229 PolarHBondContact O-OH 3.08Å; R208-Y229 VanDerWaalsContact O-OH 3.12Å; V225-Y229 HydrophobicContact CG1-CD2 3.91Å; V225-Y229 HydrophobicContact CG1-CE2 3.98Å; V225-Y229 WeakPolarHBondContact O-CD2 3.47Å; V225-Y229 PolarHBondContact O-N 3.05Å; A226-Y229 PolarHBondContact O-N 3.27Å; Y229-A231 VanDerWaalsContact C-N 3.35Å; Y229-A231 PolarHBondContact O-N 2.84Å; Y229-A232 PolarHBondContact O-N 3.18Å; Y229-M233 VanDerWaalsContact O-CG 3.27Å; Y229-M233 WeakPolarHBondContact O-CG 3.41Å; Y229-M233 PolarHBondContact O-N 3.39Å; Y229-M233 VanDerWaalsContact O-N 3.08Å
230	A	95.5	Very high	82.2	Confident	7 Å²	7	64.9 Å²	64.9	6%	0.058	38%	0.384	C	S	.	.	H	α-helix	trans	-60.6	-44.2	175.1	0	0	0	0	0	111.7	L33 L34 P115 A226 A232 M233 S234	L33-A230 HydrophobicContact CB-CB 3.94Å; L33-A230 HydrophobicContact CD1-CB 4.06Å; L34-A230 HydrophobicContact CD1-CB 4.48Å; L34-A230 HydrophobicContact CD2-CB 3.63Å; L34-A230 HydrophobicContact CG-CB 4Å; P115-A230 HydrophobicContact CG-CB 4.28Å; A226-A230 WeakPolarHBondContact O-CB 3.42Å; A226-A230 PolarHBondContact O-N 3.13Å; A230-A232 PolarHBondContact O-N 3.45Å; A230-M233 PolarHBondContact O-N 2.95Å; A230-S234 PolarHBondContact O-N 2.87Å; A230-S234 PolarHBondContact O-OG 3.38Å
231	A	93.1	Very high	80	Confident	67 Å²	67	65.4 Å²	65.4	55%	0.554	39%	0.393	S	S	*	.	H	α-helix	trans	-61.6	-42.8	177.5	0	0	0	0	0	112.3	R227 Y229 M233 S234 G235	R227-A231 WeakPolarHBondContact O-CB 3Å; R227-A231 PolarHBondContact O-N 2.91Å; Y229-A231 VanDerWaalsContact C-N 3.35Å; Y229-A231 PolarHBondContact O-N 2.84Å; A231-M233 VanDerWaalsContact C-N 3.28Å; A231-M233 PolarHBondContact O-N 3.2Å; A231-S234 PolarHBondContact O-N 3.44Å; A231-G235 PolarHBondContact O-N 3.43Å
232	A	90.4	Very high	77.9	Confident	59 Å²	59	70.2 Å²	70.2	49%	0.488	41%	0.407	S	S	.	.	H	α-helix	trans	-62.5	-34.6	176.4	0	0	0	0	0	112.7	F228 Y229 A230	F228-A232 PolarHBondContact O-N 3.25Å; Y229-A232 PolarHBondContact O-N 3.18Å; A230-A232 PolarHBondContact O-N 3.45Å
233	M	85.4	Confident	76	Confident	102 Å²	102	74.4 Å²	74.4	50%	0.502	43%	0.434	S	S	.	.	H	α-helix	trans	-74.3	-37.5	178.1	-67.6	172.8	75.3	0	0	112.6	L33 P115 Y229 A230 A231	L33-M233 HydrophobicContact CD1-CB 4.31Å; L33-M233 HydrophobicContact CD1-CE 4.46Å; L33-M233 HydrophobicContact CD1-SD 4.18Å; P115-M233 HydrophobicContact CB-SD 3.8Å; P115-M233 WeakPolarHBondContact O-CE 3.48Å; P115-M233 VanDerWaalsContact O-SD 3.39Å; Y229-M233 VanDerWaalsContact O-CG 3.27Å; Y229-M233 WeakPolarHBondContact O-CG 3.41Å; Y229-M233 PolarHBondContact O-N 3.39Å; Y229-M233 VanDerWaalsContact O-N 3.08Å; A230-M233 PolarHBondContact O-N 2.95Å; A231-M233 VanDerWaalsContact C-N 3.28Å; A231-M233 PolarHBondContact O-N 3.2Å
234	S	72.7	Confident	74.1	Confident	93 Å²	93	76.2 Å²	76.2	65%	0.65	45%	0.445	S	S	*	.	H	α-helix	trans	-75.3	-28.8	176.6	-57.4	0	0	0	0	113.1	A230 A231 A236	A230-S234 PolarHBondContact O-N 2.87Å; A230-S234 PolarHBondContact O-OG 3.38Å; A231-S234 PolarHBondContact O-N 3.44Å; S234-A236 VanDerWaalsContact C-N 3.29Å; S234-A236 PolarHBondContact O-N 3.15Å
235	G	58.4	Low	72.3	Confident	62 Å²	62	76.1 Å²	76.1	64%	0.639	45%	0.448	S	S	*	.	H	α-helix	trans	-72	-16.8	177.9	0	0	0	0	0	114.7	A231 G237	A231-G235 PolarHBondContact O-N 3.43Å; G235-G237 PolarHBondContact O-N 3.31Å; G235-G237 VanDerWaalsContact O-N 3.12Å
236	A	52.8	Low	70.6	Confident	83 Å²	83	81.2 Å²	81.2	69%	0.686	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	24.6	177.6	0	0	0	0	0	113.8	S234	S234-A236 VanDerWaalsContact C-N 3.29Å; S234-A236 PolarHBondContact O-N 3.15Å
237	G	47.7	Very low	69.1	Low	26 Å²	26	83.9 Å²	83.9	27%	0.268	49%	0.493	S	S	.	.	S	Bend	trans	-72.5	167.2	178.2	0	0	0	0	0	113.8	G235 W239 A240	G235-G237 PolarHBondContact O-N 3.31Å; G235-G237 VanDerWaalsContact O-N 3.12Å; G237-W239 PolarHBondContact O-N 2.03Å; G237-A240 PolarHBondContact O-N 3.35Å
238	P	49.6	Very low	67.7	Low	97 Å²	97	82.6 Å²	82.6	63%	0.63	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-59.4	-9.1	-175.8	21.4	-32	0	0	0	115.3	A240 A241	P238-A240 PolarHBondContact O-N 2.94Å; P238-A241 PolarHBondContact O-N 2.91Å; P238-A241 VanDerWaalsContact O-N 3.15Å
239	W	49	Very low	66.3	Low	184 Å²	184	81.4 Å²	81.4	70%	0.697	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-68.4	-23.1	178.3	-63.3	62.5	0	0	0	112.4	G237 A241 W242 P243	G237-W239 PolarHBondContact O-N 2.03Å; W239-A241 VanDerWaalsContact C-N 3.28Å; W239-A241 PolarHBondContact O-N 2.93Å; W239-W242 HydrophobicContact CD2-CE3 4.19Å; W239-W242 HydrophobicContact CD2-CH2 4.35Å; W239-W242 AromaticContact CD2-CZ3 3.82Å; W239-W242 HydrophobicContact CD2-CZ3 3.82Å; W239-W242 HydrophobicContact CE3-CE3 4.01Å; W239-W242 HydrophobicContact CE3-CH2 4.45Å; W239-W242 AromaticContact CE3-CZ3 3.59Å; W239-W242 HydrophobicContact CE3-CZ3 3.59Å; W239-W242 HydrophobicContact CH2-CH2 4.33Å; W239-W242 HydrophobicContact CH2-CZ3 4.04Å; W239-W242 HydrophobicContact CZ2-CH2 4.21Å; W239-W242 HydrophobicContact CZ2-CZ3 4.23Å; W239-W242 HydrophobicContact CZ3-CH2 4.45Å; W239-W242 AromaticContact CZ3-CZ3 3.72Å; W239-W242 HydrophobicContact CZ3-CZ3 3.72Å; W239-P243 WeakPolarHBondContact O-CD 3.37Å
240	A	48.8	Very low	65.1	Low	73 Å²	73	84.1 Å²	84.1	60%	0.603	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-72.1	-21	173.3	0	0	0	0	0	113.1	G237 P238	G237-A240 PolarHBondContact O-N 3.35Å; P238-A240 PolarHBondContact O-N 2.94Å
241	A	52.2	Low	63.8	Low	43 Å²	43	87.5 Å²	87.5	36%	0.355	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-15.7	179.2	0	0	0	0	0	113.4	P238 W239 L244 L245	P238-A241 PolarHBondContact O-N 2.91Å; P238-A241 VanDerWaalsContact O-N 3.15Å; W239-A241 VanDerWaalsContact C-N 3.28Å; W239-A241 PolarHBondContact O-N 2.93Å; A241-L244 PolarHBondContact O-N 2.81Å; A241-L245 HydrophobicContact CB-CD1 4.38Å; A241-L245 WeakPolarHBondContact O-CG 3.47Å; A241-L245 PolarHBondContact O-N 2.84Å
242	W	54.5	Low	62.5	Low	137 Å²	137	88.5 Å²	88.5	52%	0.519	53%	0.532	S	S	.	.	H	α-helix	trans	-59.7	-42	179.1	-84.6	-4.1	0	0	0	114.9	W239 L244 L245 L246	W239-W242 HydrophobicContact CD2-CE3 4.19Å; W239-W242 HydrophobicContact CD2-CH2 4.35Å; W239-W242 AromaticContact CD2-CZ3 3.82Å; W239-W242 HydrophobicContact CD2-CZ3 3.82Å; W239-W242 HydrophobicContact CE3-CE3 4.01Å; W239-W242 HydrophobicContact CE3-CH2 4.45Å; W239-W242 AromaticContact CE3-CZ3 3.59Å; W239-W242 HydrophobicContact CE3-CZ3 3.59Å; W239-W242 HydrophobicContact CH2-CH2 4.33Å; W239-W242 HydrophobicContact CH2-CZ3 4.04Å; W239-W242 HydrophobicContact CZ2-CH2 4.21Å; W239-W242 HydrophobicContact CZ2-CZ3 4.23Å; W239-W242 HydrophobicContact CZ3-CH2 4.45Å; W239-W242 AromaticContact CZ3-CZ3 3.72Å; W239-W242 HydrophobicContact CZ3-CZ3 3.72Å; W242-L244 VanDerWaalsContact C-N 3.27Å; W242-L244 PolarHBondContact O-N 2.98Å; W242-L245 PolarHBondContact O-N 2.95Å; W242-L246 WeakPolarHBondContact O-CB 3.49Å; W242-L246 PolarHBondContact O-N 3.04Å
243	P	59.1	Low	61.3	Low	87 Å²	87	91 Å²	91	57%	0.565	54%	0.536	S	S	*	.	H	α-helix	trans	-63.8	-34.7	176.6	-19.9	31.7	0	0	0	112.4	W239 S247	W239-P243 WeakPolarHBondContact O-CD 3.37Å; P243-S247 WeakPolarHBondContact O-CB 3.41Å; P243-S247 PolarHBondContact O-N 2.8Å; P243-S247 PolarHBondContact O-OG 2.82Å
244	L	58.6	Low	60.3	Low	115 Å²	115	96.3 Å²	96.3	60%	0.602	55%	0.551	S	S	*	*	H	α-helix	trans	-73.1	-39	178.2	-85.7	154.1	0	0	0	112.2	A241 W242 S247 L248	A241-L244 PolarHBondContact O-N 2.81Å; W242-L244 VanDerWaalsContact C-N 3.27Å; W242-L244 PolarHBondContact O-N 2.98Å; L244-S247 WeakPolarHBondContact CA-OG 3.42Å; L244-S247 PolarHBondContact O-OG 3.27Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 PolarHBondContact O-N 2.95Å
245	L	60.2	Low	59.6	Low	111 Å²	111	98.3 Å²	98.3	58%	0.581	55%	0.554	S	S	*	*	H	α-helix	trans	-72.4	-38.5	176.5	-73.4	164.7	0	0	0	112.3	A241 W242 A249	A241-L245 HydrophobicContact CB-CD1 4.38Å; A241-L245 WeakPolarHBondContact O-CG 3.47Å; A241-L245 PolarHBondContact O-N 2.84Å; W242-L245 PolarHBondContact O-N 2.95Å; L245-A249 WeakPolarHBondContact O-CB 3.08Å; L245-A249 PolarHBondContact O-N 2.98Å
246	L	64.1	Low	59.4	Low	108 Å²	108	100.3 Å²	100.3	57%	0.565	55%	0.549	S	S	*	.	H	α-helix	trans	-65.6	-42.6	174.1	-90.3	150.5	0	0	0	111.9	W242 A249 L250	W242-L246 WeakPolarHBondContact O-CB 3.49Å; W242-L246 PolarHBondContact O-N 3.04Å; L246-A249 PolarHBondContact O-N 3.36Å; L246-L250 WeakPolarHBondContact O-CB 3.5Å; L246-L250 WeakPolarHBondContact O-CD1 3.47Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 3.44Å; L246-L250 PolarHBondContact O-N 3.1Å
247	S	66.4	Low	59.6	Low	55 Å²	55	103.6 Å²	103.6	39%	0.385	57%	0.567	S	S	.	*	H	α-helix	trans	-66.6	-41.3	175.9	48.4	0	0	0	0	112	P243 L244 A249 L250 T251	P243-S247 WeakPolarHBondContact O-CB 3.41Å; P243-S247 PolarHBondContact O-N 2.8Å; P243-S247 PolarHBondContact O-OG 2.82Å; L244-S247 WeakPolarHBondContact CA-OG 3.42Å; L244-S247 PolarHBondContact O-OG 3.27Å; S247-A249 PolarHBondContact O-N 2.79Å; S247-L250 PolarHBondContact O-N 3.09Å; S247-T251 VanDerWaalsContact O-CG2 3.25Å; S247-T251 WeakPolarHBondContact O-CG2 3.48Å; S247-T251 PolarHBondContact O-N 3.07Å; S247-T251 PolarHBondContact O-OG1 3.38Å
248	L	68	Low	60.2	Low	99 Å²	99	107.5 Å²	107.5	52%	0.518	58%	0.582	S	S	.	*	H	α-helix	trans	-60.5	-46.1	172.3	-111.2	95.9	0	0	0	111.9	L244 L250 T251 L252	L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 PolarHBondContact O-N 2.95Å; L248-L250 PolarHBondContact O-N 3.24Å; L248-T251 WeakPolarHBondContact CA-OG1 3.41Å; L248-T251 PolarHBondContact O-N 3.38Å; L248-T251 PolarHBondContact O-OG1 2.74Å; L248-L252 WeakPolarHBondContact O-CB 3.44Å; L248-L252 PolarHBondContact O-N 2.87Å
249	A	68.5	Low	60.7	Low	47 Å²	47	108.1 Å²	108.1	39%	0.388	58%	0.58	S	S	.	*	H	α-helix	trans	-61.2	-42.7	179.4	0	0	0	0	0	112.1	L245 L246 S247 L252 L253	L245-A249 WeakPolarHBondContact O-CB 3.08Å; L245-A249 PolarHBondContact O-N 2.98Å; L246-A249 PolarHBondContact O-N 3.36Å; S247-A249 PolarHBondContact O-N 2.79Å; A249-L252 PolarHBondContact O-N 3.5Å; A249-L253 WeakPolarHBondContact O-CB 3.44Å; A249-L253 WeakPolarHBondContact O-CD1 3.31Å; A249-L253 PolarHBondContact O-N 3.3Å
250	L	71.4	Confident	61.4	Low	111 Å²	111	103.8 Å²	103.8	58%	0.581	57%	0.573	S	S	*	*	H	α-helix	trans	-65.5	-39.9	177	-73.2	165.2	0	0	0	112.4	L246 S247 L248 L253 W254	L246-L250 WeakPolarHBondContact O-CB 3.5Å; L246-L250 WeakPolarHBondContact O-CD1 3.47Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 3.44Å; L246-L250 PolarHBondContact O-N 3.1Å; S247-L250 PolarHBondContact O-N 3.09Å; L248-L250 PolarHBondContact O-N 3.24Å; L250-L253 PolarHBondContact O-N 3.2Å; L250-W254 PolarHBondContact O-N 3.34Å
251	T	68.5	Low	62.1	Low	78 Å²	78	105.6 Å²	105.6	48%	0.479	57%	0.571	S	S	.	*	H	α-helix	trans	-67	-38.8	176.6	59	0	0	0	0	112.4	S247 L248 W254 L255	S247-T251 VanDerWaalsContact O-CG2 3.25Å; S247-T251 WeakPolarHBondContact O-CG2 3.48Å; S247-T251 PolarHBondContact O-N 3.07Å; S247-T251 PolarHBondContact O-OG1 3.38Å; L248-T251 WeakPolarHBondContact CA-OG1 3.41Å; L248-T251 PolarHBondContact O-N 3.38Å; L248-T251 PolarHBondContact O-OG1 2.74Å; T251-W254 PolarHBondContact O-N 3.08Å; T251-L255 WeakPolarHBondContact O-CG 3.1Å; T251-L255 PolarHBondContact O-N 3.48Å; T251-L255 VanDerWaalsContact O-N 3.08Å
252	L	67	Low	62.8	Low	88 Å²	88	109.6 Å²	109.6	46%	0.461	59%	0.585	S	S	.	*	H	α-helix	trans	-66.8	-39.3	174.8	-87	152.1	0	0	0	112.4	L248 A249 W254 L255 L256	L248-L252 WeakPolarHBondContact O-CB 3.44Å; L248-L252 PolarHBondContact O-N 2.87Å; A249-L252 PolarHBondContact O-N 3.5Å; L252-W254 VanDerWaalsContact C-N 3.33Å; L252-L255 PolarHBondContact O-N 2.76Å; L252-L256 WeakPolarHBondContact O-CB 3.08Å; L252-L256 WeakPolarHBondContact O-CD1 3.5Å; L252-L256 VanDerWaalsContact O-CG 3.25Å; L252-L256 WeakPolarHBondContact O-CG 3.39Å; L252-L256 PolarHBondContact O-N 3.29Å
253	L	65.2	Low	63.3	Low	112 Å²	112	107.7 Å²	107.7	59%	0.586	59%	0.589	S	S	*	*	H	α-helix	trans	-63.7	-37.5	174.2	-91.9	150.1	0	0	0	112.3	A249 L250 L256 S257	A249-L253 WeakPolarHBondContact O-CB 3.44Å; A249-L253 WeakPolarHBondContact O-CD1 3.31Å; A249-L253 PolarHBondContact O-N 3.3Å; L250-L253 PolarHBondContact O-N 3.2Å; L253-L256 PolarHBondContact O-N 3.44Å; L253-S257 PolarHBondContact O-N 2.84Å; L253-S257 PolarHBondContact O-OG 3.02Å
254	W	64.7	Low	63.6	Low	214 Å²	214	109.2 Å²	109.2	81%	0.811	59%	0.591	S	S	*	*	H	α-helix	trans	-71.5	-34.4	177.9	-154.3	64.9	0	0	0	112.8	L250 T251 L252 L256	L250-W254 PolarHBondContact O-N 3.34Å; T251-W254 PolarHBondContact O-N 3.08Å; L252-W254 VanDerWaalsContact C-N 3.33Å; W254-L256 VanDerWaalsContact C-N 3.29Å; W254-L256 PolarHBondContact O-N 2.85Å
255	L	57.7	Low	64	Low	135 Å²	135	108.8 Å²	108.8	71%	0.707	59%	0.59	S	S	*	*	H	α-helix	trans	-75.2	-15.3	176.3	-72.3	165.2	0	0	0	114	T251 L252	T251-L255 WeakPolarHBondContact O-CG 3.1Å; T251-L255 PolarHBondContact O-N 3.48Å; T251-L255 VanDerWaalsContact O-N 3.08Å; L252-L255 PolarHBondContact O-N 2.76Å
256	L	53.6	Low	64.3	Low	103 Å²	103	108.6 Å²	108.6	54%	0.539	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.4	-1.3	-178.5	-69	168.3	0	0	0	113.5	M5 L252 L253 W254	M5-L256 HydrophobicContact CE-CD2 3.86Å; L252-L256 WeakPolarHBondContact O-CB 3.08Å; L252-L256 WeakPolarHBondContact O-CD1 3.5Å; L252-L256 VanDerWaalsContact O-CG 3.25Å; L252-L256 WeakPolarHBondContact O-CG 3.39Å; L252-L256 PolarHBondContact O-N 3.29Å; L253-L256 PolarHBondContact O-N 3.44Å; W254-L256 VanDerWaalsContact C-N 3.29Å; W254-L256 PolarHBondContact O-N 2.85Å
257	S	56.7	Low	64.3	Low	153 Å²	153	108.6 Å²	108.6	100%	1.07	59%	0.593	S	S	*	*			trans	-98.2	0	173.5	-57	0	0	0	0	110.5	L253	L253-S257 PolarHBondContact O-N 2.84Å; L253-S257 PolarHBondContact O-OG 3.02Å

Retrieved 257 of 257 residues in 157 ms (Link to these results)

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