A0A096N1D8_PAPAN Loading...

Thioredoxin domain-containing protein 9

Significantly diminishes the chaperonin TCP1 complex ATPase activity, thus negatively impacts protein folding, including that of actin or tubulin.

AlphaFold DB (F6YEB0), UniProt , Accession A0A096N1D8, Species PAPAN (Papio anubis, Olive baboon), Gene TXNDC9, Length 226 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	51	Low	61.6	Low	236 Å²	236	114.5 Å²	114.5	100%	1.163	64%	0.635	S	S	*	*				0	-9.9	0	-81.5	173.5	157.1	0	0	113.5
2	E	50.6	Low	62.7	Low	176 Å²	176	114.5 Å²	114.5	82%	0.822	62%	0.624	S	S	*	*	H	α-helix	trans	-87.4	-26.4	179.3	-66.5	-168	152.8	0	0	115.5	D4	E2-D4 PolarHBondContact O-N 3.41Å
3	A	54.2	Low	64.2	Low	73 Å²	73	111.5 Å²	111.5	60%	0.603	61%	0.611	S	S	*	*	H	α-helix	trans	-68.3	-32.7	-178.1	0	0	0	0	0	113.3	S6 V7	A3-S6 PolarHBondContact O-N 3.03Å; A3-S6 PolarHBondContact O-OG 3.37Å; A3-V7 PolarHBondContact O-N 2.99Å
4	D	55.6	Low	65.2	Low	134 Å²	134	112.2 Å²	112.2	72%	0.717	61%	0.613	S	S	*	*	H	α-helix	trans	-71.3	-35.7	-176.4	-142.3	18.7	0	0	0	112.3	E2 S6 D8	E2-D4 PolarHBondContact O-N 3.41Å; D4-S6 VanDerWaalsContact C-N 3.33Å; D4-S6 PolarHBondContact O-N 3.41Å; D4-D8 WeakPolarHBondContact O-CB 3.23Å; D4-D8 PolarHBondContact O-N 3.36Å
5	A	59.7	Low	65.9	Low	64 Å²	64	113 Å²	113	53%	0.529	61%	0.61	S	S	.	*	H	α-helix	trans	-70.1	-30.3	176.3	0	0	0	0	0	112.6	M9	A5-M9 VanDerWaalsContact O-CB 3.29Å; A5-M9 WeakPolarHBondContact O-CB 3.41Å; A5-M9 PolarHBondContact O-N 3.26Å
6	S	59.7	Low	66.9	Low	51 Å²	51	111.9 Å²	111.9	36%	0.357	60%	0.604	S	S	.	*	H	α-helix	trans	-71.9	-43.7	178.5	73.2	0	0	0	0	111.7	A3 D4 D8 M9 F10	A3-S6 PolarHBondContact O-N 3.03Å; A3-S6 PolarHBondContact O-OG 3.37Å; D4-S6 VanDerWaalsContact C-N 3.33Å; D4-S6 PolarHBondContact O-N 3.41Å; S6-D8 PolarHBondContact O-N 3.25Å; S6-M9 PolarHBondContact O-N 2.94Å; S6-F10 WeakPolarHBondContact O-CD2 3.15Å; S6-F10 PolarHBondContact O-N 3.44Å
7	V	65.7	Low	67.6	Low	98 Å²	98	112 Å²	112	59%	0.594	60%	0.6	S	S	*	*	H	α-helix	trans	-65.3	-40.8	178.1	177.6	0	0	0	0	111.1	A3 F10 S11	A3-V7 PolarHBondContact O-N 2.99Å; V7-F10 PolarHBondContact O-N 3.45Å; V7-S11 WeakPolarHBondContact O-CB 3.26Å; V7-S11 PolarHBondContact O-N 3.48Å
8	D	69.3	Low	68.5	Low	81 Å²	81	112.2 Å²	112.2	43%	0.433	60%	0.6	S	S	.	*	H	α-helix	trans	-68	-35.6	176.6	-163.6	38.8	0	0	0	112.1	D4 S6 K12	D4-D8 WeakPolarHBondContact O-CB 3.23Å; D4-D8 PolarHBondContact O-N 3.36Å; S6-D8 PolarHBondContact O-N 3.25Å; D8-K12 WeakPolarHBondContact O-CB 3.31Å; D8-K12 VanDerWaalsContact O-CG 3.27Å; D8-K12 WeakPolarHBondContact O-CG 3.43Å; D8-K12 PolarHBondContact O-N 3.36Å; D8-K12 IonicContact OD1-NZ 3.4Å; D8-K12 WeakPolarHBondContact OD2-CE 3.25Å; D8-K12 IonicContact OD2-NZ 2.78Å; D8-K12 PolarHBondContact OD2-NZ 2.95Å
9	M	68.9	Low	69.3	Low	127 Å²	127	110.7 Å²	110.7	63%	0.626	59%	0.592	S	S	*	*	H	α-helix	trans	-67	-44.6	172.6	-172.3	-171.2	-67	0	0	111.8	A5 S6 K12 V13	A5-M9 VanDerWaalsContact O-CB 3.29Å; A5-M9 WeakPolarHBondContact O-CB 3.41Å; A5-M9 PolarHBondContact O-N 3.26Å; S6-M9 PolarHBondContact O-N 2.94Å; M9-K12 PolarHBondContact O-N 2.95Å; M9-V13 VanDerWaalsContact O-CG2 3.26Å; M9-V13 WeakPolarHBondContact O-CG2 3.38Å; M9-V13 PolarHBondContact O-N 3.42Å
10	F	69.4	Low	70.1	Confident	150 Å²	150	110.9 Å²	110.9	66%	0.658	59%	0.589	S	S	*	*	H	α-helix	trans	-63.6	-40.3	176.5	-87	-73.7	0	0	0	112.1	S6 V7 V13 L14	S6-F10 WeakPolarHBondContact O-CD2 3.15Å; S6-F10 PolarHBondContact O-N 3.44Å; V7-F10 PolarHBondContact O-N 3.45Å; F10-V13 PolarHBondContact O-N 2.99Å; F10-L14 PolarHBondContact O-N 3.37Å
11	S	73.7	Confident	70.7	Confident	69 Å²	69	109.1 Å²	109.1	48%	0.483	58%	0.583	S	S	.	*	H	α-helix	trans	-61.5	-46.2	174.8	-169.5	0	0	0	0	111.7	V7 V13 L14 E15	V7-S11 WeakPolarHBondContact O-CB 3.26Å; V7-S11 PolarHBondContact O-N 3.48Å; S11-V13 VanDerWaalsContact C-N 3.34Å; S11-V13 PolarHBondContact O-N 3.36Å; S11-L14 PolarHBondContact O-N 3.29Å; S11-E15 WeakPolarHBondContact O-CB 3.29Å; S11-E15 PolarHBondContact O-N 3.5Å
12	K	74.9	Confident	72	Confident	115 Å²	115	100.9 Å²	100.9	50%	0.5	55%	0.546	S	S	.	.	H	α-helix	trans	-63.6	-37.8	177.2	-74	169.4	-169.6	164.9	0	112.5	D8 M9 N16	D8-K12 WeakPolarHBondContact O-CB 3.31Å; D8-K12 VanDerWaalsContact O-CG 3.27Å; D8-K12 WeakPolarHBondContact O-CG 3.43Å; D8-K12 PolarHBondContact O-N 3.36Å; D8-K12 IonicContact OD1-NZ 3.4Å; D8-K12 WeakPolarHBondContact OD2-CE 3.25Å; D8-K12 IonicContact OD2-NZ 2.78Å; D8-K12 PolarHBondContact OD2-NZ 2.95Å; M9-K12 PolarHBondContact O-N 2.95Å; K12-N16 VanDerWaalsContact O-CB 3.29Å; K12-N16 WeakPolarHBondContact O-CB 3.37Å; K12-N16 PolarHBondContact O-N 3.44Å
13	V	82.1	Confident	73.7	Confident	76 Å²	76	97.9 Å²	97.9	46%	0.461	53%	0.53	S	S	.	.	H	α-helix	trans	-66.1	-41.6	175.9	170.9	0	0	0	0	111.1	M9 F10 S11 N16 Q17	M9-V13 VanDerWaalsContact O-CG2 3.26Å; M9-V13 WeakPolarHBondContact O-CG2 3.38Å; M9-V13 PolarHBondContact O-N 3.42Å; F10-V13 PolarHBondContact O-N 2.99Å; S11-V13 VanDerWaalsContact C-N 3.34Å; S11-V13 PolarHBondContact O-N 3.36Å; V13-N16 PolarHBondContact O-N 2.73Å; V13-Q17 PolarHBondContact O-N 2.89Å
14	L	77.8	Confident	75.3	Confident	121 Å²	121	99.7 Å²	99.7	63%	0.634	53%	0.529	S	S	*	.	H	α-helix	trans	-65.6	-43.5	177.9	-137	99.7	0	0	0	111.8	F10 S11 N16 Q17 L18	F10-L14 PolarHBondContact O-N 3.37Å; S11-L14 PolarHBondContact O-N 3.29Å; L14-N16 VanDerWaalsContact C-N 3.34Å; L14-Q17 PolarHBondContact O-N 3.38Å; L14-L18 WeakPolarHBondContact O-CB 3.29Å; L14-L18 PolarHBondContact O-N 2.66Å
15	E	76.3	Confident	76.8	Confident	124 Å²	124	97.7 Å²	97.7	58%	0.579	52%	0.521	S	S	*	.	H	α-helix	trans	-62.9	-41.8	177	-169.2	174.6	-164.7	0	0	110.9	S11 L18 L19	S11-E15 WeakPolarHBondContact O-CB 3.29Å; S11-E15 PolarHBondContact O-N 3.5Å; E15-L18 PolarHBondContact O-N 2.75Å; E15-L19 WeakPolarHBondContact O-CB 3.27Å; E15-L19 PolarHBondContact O-N 3.37Å
16	N	81.8	Confident	78.1	Confident	96 Å²	96	99.9 Å²	99.9	51%	0.513	52%	0.52	S	S	.	.	H	α-helix	trans	-69.2	-36.9	178.4	-144.5	21.8	0	0	0	112.2	K12 V13 L14 L19 Q20	K12-N16 VanDerWaalsContact O-CB 3.29Å; K12-N16 WeakPolarHBondContact O-CB 3.37Å; K12-N16 PolarHBondContact O-N 3.44Å; V13-N16 PolarHBondContact O-N 2.73Å; L14-N16 VanDerWaalsContact C-N 3.34Å; N16-L19 PolarHBondContact O-N 3.47Å; N16-Q20 WeakPolarHBondContact O-CB 3.46Å; N16-Q20 VanDerWaalsContact O-CG 3.25Å; N16-Q20 WeakPolarHBondContact O-CG 3.5Å; N16-Q20 PolarHBondContact O-N 3.06Å
17	Q	78.6	Confident	79.5	Confident	113 Å²	113	103.7 Å²	103.7	53%	0.528	53%	0.532	S	S	.	.	H	α-helix	trans	-64.2	-45.2	171.1	-85.1	-174.8	-29.8	0	0	111.6	V13 L14 L19 Q20 T21	V13-Q17 PolarHBondContact O-N 2.89Å; L14-Q17 PolarHBondContact O-N 3.38Å; Q17-L19 VanDerWaalsContact C-N 3.32Å; Q17-L19 PolarHBondContact O-N 3.05Å; Q17-Q20 PolarHBondContact O-N 3.08Å; Q17-T21 WeakPolarHBondContact O-CG2 3.32Å; Q17-T21 PolarHBondContact O-N 3.05Å; Q17-T21 PolarHBondContact O-OG1 3.22Å
18	L	83	Confident	80.4	Confident	115 Å²	115	104.5 Å²	104.5	60%	0.602	53%	0.529	S	S	*	.	H	α-helix	trans	-59.5	-45.8	176.3	-174.8	66.7	0	0	0	110.5	L14 E15 Q20 T21 T22	L14-L18 WeakPolarHBondContact O-CB 3.29Å; L14-L18 PolarHBondContact O-N 2.66Å; E15-L18 PolarHBondContact O-N 2.75Å; L18-Q20 VanDerWaalsContact C-N 3.33Å; L18-Q20 PolarHBondContact O-N 3Å; L18-T21 WeakPolarHBondContact CA-OG1 3.35Å; L18-T21 PolarHBondContact O-N 3.15Å; L18-T21 PolarHBondContact O-OG1 3.36Å; L18-T22 PolarHBondContact O-N 3.36Å; L18-T22 PolarHBondContact O-OG1 3.34Å
19	L	84.6	Confident	81	Confident	85 Å²	85	105.5 Å²	105.5	45%	0.445	54%	0.535	S	S	.	.	H	α-helix	trans	-62.2	-40	178	-139.5	106.6	0	0	0	112.3	E15 N16 Q17 T22 K23	E15-L19 WeakPolarHBondContact O-CB 3.27Å; E15-L19 PolarHBondContact O-N 3.37Å; N16-L19 PolarHBondContact O-N 3.47Å; Q17-L19 VanDerWaalsContact C-N 3.32Å; Q17-L19 PolarHBondContact O-N 3.05Å; L19-T22 PolarHBondContact O-N 3.12Å; L19-K23 WeakPolarHBondContact O-CG 3.34Å; L19-K23 PolarHBondContact O-N 3.45Å
20	Q	84.9	Confident	81.8	Confident	113 Å²	113	104.4 Å²	104.4	53%	0.528	53%	0.531	S	S	.	.	H	α-helix	trans	-64.9	-42.9	174.3	-77.4	178.1	-17.3	0	0	111.6	N16 Q17 L18 K23 L24	N16-Q20 WeakPolarHBondContact O-CB 3.46Å; N16-Q20 VanDerWaalsContact O-CG 3.25Å; N16-Q20 WeakPolarHBondContact O-CG 3.5Å; N16-Q20 PolarHBondContact O-N 3.06Å; Q17-Q20 PolarHBondContact O-N 3.08Å; L18-Q20 VanDerWaalsContact C-N 3.33Å; L18-Q20 PolarHBondContact O-N 3Å; Q20-K23 PolarHBondContact O-N 3.48Å; Q20-L24 VanDerWaalsContact O-CG 3.31Å; Q20-L24 WeakPolarHBondContact O-CG 3.39Å; Q20-L24 PolarHBondContact O-N 3.02Å
21	T	82.3	Confident	82.6	Confident	75 Å²	75	99.1 Å²	99.1	46%	0.46	51%	0.513	S	S	.	.	H	α-helix	trans	-64	-41.1	176.3	55.6	0	0	0	0	112	Q17 L18 L24 V25	Q17-T21 WeakPolarHBondContact O-CG2 3.32Å; Q17-T21 PolarHBondContact O-N 3.05Å; Q17-T21 PolarHBondContact O-OG1 3.22Å; L18-T21 WeakPolarHBondContact CA-OG1 3.35Å; L18-T21 PolarHBondContact O-N 3.15Å; L18-T21 PolarHBondContact O-OG1 3.36Å; T21-L24 PolarHBondContact O-N 3.37Å; T21-V25 VanDerWaalsContact O-CG2 3.29Å; T21-V25 WeakPolarHBondContact O-CG2 3.29Å; T21-V25 PolarHBondContact O-N 3Å
22	T	79	Confident	83.1	Confident	63 Å²	63	100.2 Å²	100.2	39%	0.387	51%	0.51	S	S	.	.	H	α-helix	trans	-63.7	-44.4	177.3	-51.1	0	0	0	0	111.2	L18 L19 L24 V25 E26	L18-T22 PolarHBondContact O-N 3.36Å; L18-T22 PolarHBondContact O-OG1 3.34Å; L19-T22 PolarHBondContact O-N 3.12Å; T22-L24 PolarHBondContact O-N 3.45Å; T22-V25 PolarHBondContact O-N 3.03Å; T22-V25 VanDerWaalsContact O-N 3.16Å; T22-E26 WeakPolarHBondContact O-CG 3.47Å; T22-E26 PolarHBondContact O-N 3.34Å
23	K	86.8	Confident	83.4	Confident	113 Å²	113	98.7 Å²	98.7	49%	0.491	51%	0.507	S	S	.	.	H	α-helix	trans	-60.7	-42.7	176.3	-75.8	177.1	178.7	-178.2	0	112.8	L19 Q20 V25 E26 E27	L19-K23 WeakPolarHBondContact O-CG 3.34Å; L19-K23 PolarHBondContact O-N 3.45Å; Q20-K23 PolarHBondContact O-N 3.48Å; K23-V25 VanDerWaalsContact C-N 3.3Å; K23-V25 PolarHBondContact O-N 2.83Å; K23-E26 PolarHBondContact O-N 3.33Å; K23-E27 WeakPolarHBondContact O-CB 3.4Å; K23-E27 WeakPolarHBondContact O-CG 3.5Å; K23-E27 PolarHBondContact O-N 2.93Å
24	L	86.5	Confident	83.5	Confident	111 Å²	111	100.6 Å²	100.6	58%	0.581	51%	0.511	S	S	*	.	H	α-helix	trans	-64	-36.7	176.2	-71.3	170.8	0	0	0	112	Q20 T21 T22 H28	Q20-L24 VanDerWaalsContact O-CG 3.31Å; Q20-L24 WeakPolarHBondContact O-CG 3.39Å; Q20-L24 PolarHBondContact O-N 3.02Å; T21-L24 PolarHBondContact O-N 3.37Å; T22-L24 PolarHBondContact O-N 3.45Å; L24-H28 VanDerWaalsContact O-CB 3.29Å; L24-H28 WeakPolarHBondContact O-CB 3.37Å; L24-H28 PolarHBondContact O-N 3.16Å
25	V	87.7	Confident	83.7	Confident	91 Å²	91	100.5 Å²	100.5	55%	0.552	51%	0.505	S	S	*	.	H	α-helix	trans	-67.8	-43.8	174.7	171.2	0	0	0	0	111	T21 T22 K23 H28 L29	T21-V25 VanDerWaalsContact O-CG2 3.29Å; T21-V25 WeakPolarHBondContact O-CG2 3.29Å; T21-V25 PolarHBondContact O-N 3Å; T22-V25 PolarHBondContact O-N 3.03Å; T22-V25 VanDerWaalsContact O-N 3.16Å; K23-V25 VanDerWaalsContact C-N 3.3Å; K23-V25 PolarHBondContact O-N 2.83Å; V25-H28 PolarHBondContact O-N 3.07Å; V25-L29 WeakPolarHBondContact O-CB 3.29Å; V25-L29 PolarHBondContact O-N 3.06Å
26	E	86.8	Confident	83.5	Confident	111 Å²	111	98.8 Å²	98.8	52%	0.519	50%	0.499	S	S	.	.	H	α-helix	trans	-61.2	-50	176.1	-74.3	176.3	169.9	0	0	111.4	T22 K23 H28 L29 D30	T22-E26 WeakPolarHBondContact O-CG 3.47Å; T22-E26 PolarHBondContact O-N 3.34Å; K23-E26 PolarHBondContact O-N 3.33Å; E26-H28 VanDerWaalsContact C-N 3.28Å; E26-H28 PolarHBondContact O-N 3.4Å; E26-L29 WeakPolarHBondContact O-CA 3.31Å; E26-L29 WeakPolarHBondContact O-CB 3.39Å; E26-L29 PolarHBondContact O-N 3.13Å; E26-L29 VanDerWaalsContact O-N 3.07Å; E26-D30 PolarHBondContact O-N 3.42Å
27	E	89	Confident	83.2	Confident	130 Å²	130	100.6 Å²	100.6	61%	0.607	51%	0.509	S	S	*	.	H	α-helix	trans	-59.9	-38.6	176.9	-75.4	176.3	-178.8	0	0	112	K23 S31	K23-E27 WeakPolarHBondContact O-CB 3.4Å; K23-E27 WeakPolarHBondContact O-CG 3.5Å; K23-E27 PolarHBondContact O-N 2.93Å; E27-S31 WeakPolarHBondContact O-CB 3.41Å; E27-S31 PolarHBondContact O-N 2.98Å
28	H	85.9	Confident	83.1	Confident	115 Å²	115	101.5 Å²	101.5	53%	0.532	51%	0.513	S	S	.	.	H	α-helix	trans	-64.7	-43.8	174.7	-175.5	49.3	0	0	0	111.4	L24 V25 E26 S31 E32	L24-H28 VanDerWaalsContact O-CB 3.29Å; L24-H28 WeakPolarHBondContact O-CB 3.37Å; L24-H28 PolarHBondContact O-N 3.16Å; V25-H28 PolarHBondContact O-N 3.07Å; E26-H28 VanDerWaalsContact C-N 3.28Å; E26-H28 PolarHBondContact O-N 3.4Å; H28-S31 PolarHBondContact O-N 2.91Å; H28-S31 PolarHBondContact O-OG 3.45Å; H28-E32 IonicContact CE1-OE2 2.89Å; H28-E32 PolarHBondContact O-N 3.45Å
29	L	82.1	Confident	82.7	Confident	103 Å²	103	98.1 Å²	98.1	54%	0.539	50%	0.495	S	S	.	.	H	α-helix	trans	-61.7	-46.7	176.8	-131.6	75	0	0	0	111.5	V25 E26 S31 E32 I33	V25-L29 WeakPolarHBondContact O-CB 3.29Å; V25-L29 PolarHBondContact O-N 3.06Å; E26-L29 WeakPolarHBondContact O-CA 3.31Å; E26-L29 WeakPolarHBondContact O-CB 3.39Å; E26-L29 PolarHBondContact O-N 3.13Å; E26-L29 VanDerWaalsContact O-N 3.07Å; L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 3.32Å; L29-E32 WeakPolarHBondContact O-CB 3.45Å; L29-E32 PolarHBondContact O-N 3.3Å; L29-E32 VanDerWaalsContact O-N 3.13Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.38Å; L29-I33 PolarHBondContact O-N 2.96Å
30	D	85.1	Confident	82.5	Confident	103 Å²	103	99.8 Å²	99.8	55%	0.551	50%	0.504	S	S	*	.	H	α-helix	trans	-61.4	-39.8	177.9	-75.2	-14.8	0	0	0	111.2	E26 E32 I33 Q34	E26-D30 PolarHBondContact O-N 3.42Å; D30-E32 VanDerWaalsContact C-N 3.31Å; D30-E32 PolarHBondContact O-N 2.87Å; D30-I33 PolarHBondContact O-N 2.89Å; D30-Q34 WeakPolarHBondContact O-CB 3.41Å; D30-Q34 PolarHBondContact O-N 2.9Å
31	S	86.4	Confident	82.1	Confident	40 Å²	40	102.7 Å²	102.7	28%	0.28	52%	0.518	S	S	.	.	H	α-helix	trans	-65	-35.8	175.6	83.8	0	0	0	0	112.7	E27 H28 L29 K35	E27-S31 WeakPolarHBondContact O-CB 3.41Å; E27-S31 PolarHBondContact O-N 2.98Å; H28-S31 PolarHBondContact O-N 2.91Å; H28-S31 PolarHBondContact O-OG 3.45Å; L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 3.32Å; S31-K35 WeakPolarHBondContact O-CG 3.31Å; S31-K35 PolarHBondContact O-N 2.88Å
32	E	82.6	Confident	82.1	Confident	91 Å²	91	104.1 Å²	104.1	43%	0.425	52%	0.523	S	S	.	.	H	α-helix	trans	-73.2	-40	179.1	-153.2	80.5	177.7	0	0	110.3	H28 L29 D30 K35 L36	H28-E32 IonicContact CE1-OE2 2.89Å; H28-E32 PolarHBondContact O-N 3.45Å; L29-E32 WeakPolarHBondContact O-CB 3.45Å; L29-E32 PolarHBondContact O-N 3.3Å; L29-E32 VanDerWaalsContact O-N 3.13Å; D30-E32 VanDerWaalsContact C-N 3.31Å; D30-E32 PolarHBondContact O-N 2.87Å; E32-K35 PolarHBondContact O-N 2.69Å; E32-K35 IonicContact OE2-NZ 3.97Å; E32-L36 WeakPolarHBondContact O-CG 3.42Å; E32-L36 PolarHBondContact O-N 3.04Å
33	I	82.6	Confident	82.2	Confident	83 Å²	83	106 Å²	106	43%	0.426	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-47	173.9	-67.7	164.8	0	0	0	110.3	L29 D30 K35 L36 D37	L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.38Å; L29-I33 PolarHBondContact O-N 2.96Å; D30-I33 PolarHBondContact O-N 2.89Å; I33-K35 VanDerWaalsContact C-N 3.29Å; I33-K35 PolarHBondContact O-N 3.18Å; I33-L36 WeakPolarHBondContact O-CB 3.5Å; I33-L36 PolarHBondContact O-N 2.92Å; I33-L36 VanDerWaalsContact O-N 3.08Å; I33-D37 PolarHBondContact O-N 2.86Å
34	Q	83.9	Confident	81.9	Confident	117 Å²	117	104.1 Å²	104.1	55%	0.547	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-37.4	179	-169.9	179.1	16.7	0	0	112	D30 Q38	D30-Q34 WeakPolarHBondContact O-CB 3.41Å; D30-Q34 PolarHBondContact O-N 2.9Å; Q34-Q38 WeakPolarHBondContact O-CB 3.33Å; Q34-Q38 VanDerWaalsContact O-CG 3.23Å; Q34-Q38 WeakPolarHBondContact O-CG 3.49Å; Q34-Q38 PolarHBondContact O-N 3.49Å; Q34-Q38 VanDerWaalsContact O-N 3.12Å
35	K	80.9	Confident	81.8	Confident	119 Å²	119	104.2 Å²	104.2	52%	0.517	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-45	171.8	-77.4	173.4	-169.2	162.8	0	111.5	S31 E32 I33 D37 Q38 M39	S31-K35 WeakPolarHBondContact O-CG 3.31Å; S31-K35 PolarHBondContact O-N 2.88Å; E32-K35 PolarHBondContact O-N 2.69Å; E32-K35 IonicContact OE2-NZ 3.97Å; I33-K35 VanDerWaalsContact C-N 3.29Å; I33-K35 PolarHBondContact O-N 3.18Å; K35-D37 VanDerWaalsContact C-N 3.34Å; K35-D37 PolarHBondContact O-N 3.3Å; K35-Q38 CarbonylContact O-C 3.52Å; K35-Q38 PolarHBondContact O-N 2.85Å; K35-Q38 VanDerWaalsContact O-N 3.15Å; K35-M39 VanDerWaalsContact O-CG 3.31Å; K35-M39 WeakPolarHBondContact O-CG 3.46Å; K35-M39 PolarHBondContact O-N 2.86Å
36	L	72.4	Confident	81.9	Confident	87 Å²	87	107.6 Å²	107.6	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-62.8	-39.6	179.6	-71.7	170.1	0	0	0	112.4	E32 I33 Q38 M39	E32-L36 WeakPolarHBondContact O-CG 3.42Å; E32-L36 PolarHBondContact O-N 3.04Å; I33-L36 WeakPolarHBondContact O-CB 3.5Å; I33-L36 PolarHBondContact O-N 2.92Å; I33-L36 VanDerWaalsContact O-N 3.08Å; L36-Q38 PolarHBondContact O-N 2.91Å; L36-M39 HydrophobicContact CD2-CE 3.49Å; L36-M39 VanDerWaalsContact CD2-CE 3.49Å; L36-M39 HydrophobicContact CD2-SD 3.99Å; L36-M39 PolarHBondContact O-N 3.05Å
37	D	75.3	Confident	81.8	Confident	134 Å²	134	105.3 Å²	105.3	72%	0.717	51%	0.514	S	S	*	.	H	α-helix	trans	-70.1	-22.8	176.1	-75.2	-14.1	0	0	0	112.7	I33 K35	I33-D37 PolarHBondContact O-N 2.86Å; K35-D37 VanDerWaalsContact C-N 3.34Å; K35-D37 PolarHBondContact O-N 3.3Å
38	Q	77	Confident	81.8	Confident	133 Å²	133	105.4 Å²	105.4	62%	0.621	51%	0.512	S	S	*	.	H	α-helix	trans	-93.1	-6.6	176.1	-72	176	9.7	0	0	113.7	Q34 K35 L36	Q34-Q38 WeakPolarHBondContact O-CB 3.33Å; Q34-Q38 VanDerWaalsContact O-CG 3.23Å; Q34-Q38 WeakPolarHBondContact O-CG 3.49Å; Q34-Q38 PolarHBondContact O-N 3.49Å; Q34-Q38 VanDerWaalsContact O-N 3.12Å; K35-Q38 CarbonylContact O-C 3.52Å; K35-Q38 PolarHBondContact O-N 2.85Å; K35-Q38 VanDerWaalsContact O-N 3.15Å; L36-Q38 PolarHBondContact O-N 2.91Å
39	M	75.3	Confident	82	Confident	44 Å²	44	105.7 Å²	105.7	22%	0.217	51%	0.513	C	S	.	.	S	Bend	trans	-71	136.7	176.1	-69.8	-170.4	-36	0	0	110.3	K35 L36 E43 L44 L47	K35-M39 VanDerWaalsContact O-CG 3.31Å; K35-M39 WeakPolarHBondContact O-CG 3.46Å; K35-M39 PolarHBondContact O-N 2.86Å; L36-M39 HydrophobicContact CD2-CE 3.49Å; L36-M39 VanDerWaalsContact CD2-CE 3.49Å; L36-M39 HydrophobicContact CD2-SD 3.99Å; L36-M39 PolarHBondContact O-N 3.05Å; M39-E43 HydrophobicContact CB-CB 4.41Å; M39-E43 HydrophobicContact CG-CG 4.42Å; M39-E43 HydrophobicContact SD-CG 4.14Å; M39-L44 HydrophobicContact CE-CB 4.36Å; M39-L44 HydrophobicContact CE-CD1 3.66Å; M39-L47 HydrophobicContact CE-CD2 4.38Å
40	D	79.8	Confident	82.4	Confident	120 Å²	120	107.6 Å²	107.6	64%	0.642	52%	0.517	S	S	*	.			trans	-67.3	154.9	174.7	-64.9	-40.7	0	0	0	111.3	D42 E43 L44	D40-D42 PolarHBondContact O-N 3.42Å; D40-E43 WeakPolarHBondContact O-CB 3.39Å; D40-E43 PolarHBondContact O-N 2.93Å; D40-L44 PolarHBondContact O-N 3.19Å
41	E	77.6	Confident	82.7	Confident	173 Å²	173	111 Å²	111	81%	0.808	52%	0.522	S	S	*	.	H	α-helix	trans	-55.3	-37.8	-179.7	-168.8	168.1	-165.7	0	0	112.1	E43 L44 E45	E41-E43 PolarHBondContact O-N 3.49Å; E41-L44 PolarHBondContact O-N 2.94Å; E41-E45 PolarHBondContact O-N 2.98Å
42	D	80.6	Confident	82.9	Confident	106 Å²	106	113 Å²	113	57%	0.567	53%	0.53	S	S	*	.	H	α-helix	trans	-64.9	-35.3	175	-70	-12.7	0	0	0	113.1	D40 R46	D40-D42 PolarHBondContact O-N 3.42Å; D42-R46 VanDerWaalsContact O-CG 3.32Å; D42-R46 WeakPolarHBondContact O-CG 3.43Å; D42-R46 PolarHBondContact O-N 3.35Å; D42-R46 VanDerWaalsContact O-N 3.07Å
43	E	82.8	Confident	83.4	Confident	103 Å²	103	113.4 Å²	113.4	48%	0.481	53%	0.532	S	S	.	.	H	α-helix	trans	-73.9	-39.9	178.5	-175.4	166	-152.7	0	0	111	M39 D40 E41 E45 R46 L47	M39-E43 HydrophobicContact CB-CB 4.41Å; M39-E43 HydrophobicContact CG-CG 4.42Å; M39-E43 HydrophobicContact SD-CG 4.14Å; D40-E43 WeakPolarHBondContact O-CB 3.39Å; D40-E43 PolarHBondContact O-N 2.93Å; E41-E43 PolarHBondContact O-N 3.49Å; E43-E45 VanDerWaalsContact C-N 3.3Å; E43-E45 PolarHBondContact O-N 3.27Å; E43-R46 PolarHBondContact O-N 2.92Å; E43-L47 PolarHBondContact O-N 3.45Å
44	L	79.5	Confident	83.9	Confident	72 Å²	72	112.3 Å²	112.3	38%	0.377	54%	0.535	S	S	.	.	H	α-helix	trans	-62.2	-38.7	172.9	-170.6	68.7	0	0	0	111.5	M39 D40 E41 L47 K48	M39-L44 HydrophobicContact CE-CB 4.36Å; M39-L44 HydrophobicContact CE-CD1 3.66Å; D40-L44 PolarHBondContact O-N 3.19Å; E41-L44 PolarHBondContact O-N 2.94Å; L44-L47 PolarHBondContact O-N 2.97Å; L44-K48 WeakPolarHBondContact O-CG 3.35Å; L44-K48 PolarHBondContact O-N 3.4Å
45	E	85.3	Confident	84.2	Confident	114 Å²	114	112.5 Å²	112.5	53%	0.533	54%	0.539	S	S	.	.	H	α-helix	trans	-64.2	-47.5	175	-170.1	163	-134.3	0	0	111.8	E41 E43 L47 K48 E49	E41-E45 PolarHBondContact O-N 2.98Å; E43-E45 VanDerWaalsContact C-N 3.3Å; E43-E45 PolarHBondContact O-N 3.27Å; E45-L47 VanDerWaalsContact C-N 3.27Å; E45-L47 PolarHBondContact O-N 3.05Å; E45-K48 WeakPolarHBondContact O-CB 3.32Å; E45-K48 PolarHBondContact O-N 3.02Å; E45-K48 VanDerWaalsContact O-N 3.12Å; E45-E49 WeakPolarHBondContact O-CG 3.44Å; E45-E49 PolarHBondContact O-N 3.07Å
46	R	88.1	Confident	84.8	Confident	162 Å²	162	113.9 Å²	113.9	61%	0.611	54%	0.541	S	S	*	.	H	α-helix	trans	-58.4	-37.3	174.4	-71.7	172	-174.4	174.8	5.8	112.8	D42 E43 K50	D42-R46 VanDerWaalsContact O-CG 3.32Å; D42-R46 WeakPolarHBondContact O-CG 3.43Å; D42-R46 PolarHBondContact O-N 3.35Å; D42-R46 VanDerWaalsContact O-N 3.07Å; E43-R46 PolarHBondContact O-N 2.92Å; R46-K50 WeakPolarHBondContact O-CG 3.35Å; R46-K50 PolarHBondContact O-N 3.12Å
47	L	84.9	Confident	85.9	Confident	63 Å²	63	115.1 Å²	115.1	33%	0.33	54%	0.543	S	S	.	.	H	α-helix	trans	-68	-40.9	177.2	-175.1	62.3	0	0	0	111.7	M39 E43 L44 E45 K50 R51	M39-L47 HydrophobicContact CE-CD2 4.38Å; E43-L47 PolarHBondContact O-N 3.45Å; L44-L47 PolarHBondContact O-N 2.97Å; E45-L47 VanDerWaalsContact C-N 3.27Å; E45-L47 PolarHBondContact O-N 3.05Å; L47-K50 PolarHBondContact O-N 3.42Å; L47-R51 PolarHBondContact O-N 3.46Å
48	K	89.4	Confident	86.6	Confident	131 Å²	131	111.4 Å²	111.4	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-61.6	-45.8	173.8	-72.8	169.4	-178	167.6	0	111.1	L44 E45 R51 L52	L44-K48 WeakPolarHBondContact O-CG 3.35Å; L44-K48 PolarHBondContact O-N 3.4Å; E45-K48 WeakPolarHBondContact O-CB 3.32Å; E45-K48 PolarHBondContact O-N 3.02Å; E45-K48 VanDerWaalsContact O-N 3.12Å; K48-R51 PolarHBondContact O-N 2.84Å; K48-L52 WeakPolarHBondContact O-CB 3.34Å; K48-L52 PolarHBondContact O-N 2.92Å
49	E	90.6	Very high	87.4	Confident	121 Å²	121	110.7 Å²	110.7	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-58.8	-47.8	176.8	-71.9	-176.5	157	0	0	112	E45 R51 L52 E53	E45-E49 WeakPolarHBondContact O-CG 3.44Å; E45-E49 PolarHBondContact O-N 3.07Å; E49-R51 PolarHBondContact O-N 3.23Å; E49-L52 PolarHBondContact O-N 2.95Å; E49-E53 WeakPolarHBondContact O-CB 3.27Å; E49-E53 PolarHBondContact O-N 3.45Å
50	K	91.1	Very high	88.3	Confident	144 Å²	144	114.4 Å²	114.4	63%	0.626	54%	0.544	S	S	*	.	H	α-helix	trans	-58.7	-44.4	176.5	-76.6	175.7	-178.6	174.9	0	112.4	R46 L47 E53 A54	R46-K50 WeakPolarHBondContact O-CG 3.35Å; R46-K50 PolarHBondContact O-N 3.12Å; L47-K50 PolarHBondContact O-N 3.42Å; K50-E53 PolarHBondContact O-N 3.3Å; K50-A54 WeakPolarHBondContact O-CB 3.41Å; K50-A54 PolarHBondContact O-N 3.04Å
51	R	91	Very high	89	Confident	174 Å²	174	112.7 Å²	112.7	66%	0.657	53%	0.532	S	S	*	.	H	α-helix	trans	-65.3	-42.6	177	-76.4	-170.9	177.1	-178.5	2	111.6	L47 K48 E49 E53 A54 L55	L47-R51 PolarHBondContact O-N 3.46Å; K48-R51 PolarHBondContact O-N 2.84Å; E49-R51 PolarHBondContact O-N 3.23Å; R51-E53 VanDerWaalsContact C-N 3.33Å; R51-E53 PolarHBondContact O-N 3.25Å; R51-A54 PolarHBondContact O-N 3.39Å; R51-L55 WeakPolarHBondContact O-CB 3.41Å; R51-L55 WeakPolarHBondContact O-CG 3.41Å; R51-L55 PolarHBondContact O-N 2.94Å
52	L	90.9	Very high	89.7	Confident	83 Å²	83	109.7 Å²	109.7	44%	0.435	52%	0.516	S	S	.	.	H	α-helix	trans	-62.9	-41.8	177.6	-177.9	61.2	0	0	0	111.3	K48 E49 L55 R56	K48-L52 WeakPolarHBondContact O-CB 3.34Å; K48-L52 PolarHBondContact O-N 2.92Å; E49-L52 PolarHBondContact O-N 2.95Å; L52-L55 PolarHBondContact O-N 3.12Å; L52-R56 WeakPolarHBondContact O-CB 3.4Å; L52-R56 VanDerWaalsContact O-CG 3.3Å; L52-R56 WeakPolarHBondContact O-CG 3.41Å; L52-R56 PolarHBondContact O-N 3.4Å
53	E	93.4	Very high	90.4	Very high	99 Å²	99	110 Å²	110	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-64.6	-44	175.7	-165.3	-170.8	175.2	0	0	111.7	E49 K50 R51 L55 R56 K57	E49-E53 WeakPolarHBondContact O-CB 3.27Å; E49-E53 PolarHBondContact O-N 3.45Å; K50-E53 PolarHBondContact O-N 3.3Å; R51-E53 VanDerWaalsContact C-N 3.33Å; R51-E53 PolarHBondContact O-N 3.25Å; E53-L55 PolarHBondContact O-N 3.23Å; E53-R56 PolarHBondContact O-N 3.45Å; E53-K57 HydrophobicContact CG-CD 4.38Å; E53-K57 WeakPolarHBondContact O-CB 3.4Å; E53-K57 WeakPolarHBondContact O-CG 3.49Å; E53-K57 PolarHBondContact O-N 2.95Å; E53-K57 WeakPolarHBondContact OE1-CE 3.43Å; E53-K57 IonicContact OE1-NZ 3.84Å; E53-K57 PolarHBondContact OE1-NZ 3.15Å; E53-K57 IonicContact OE2-NZ 2.89Å
54	A	92.1	Very high	91	Very high	59 Å²	59	109.5 Å²	109.5	49%	0.488	51%	0.512	S	S	.	.	H	α-helix	trans	-61	-44.1	176.1	0	0	0	0	0	112	K50 R51 K57 A58	K50-A54 WeakPolarHBondContact O-CB 3.41Å; K50-A54 PolarHBondContact O-N 3.04Å; R51-A54 PolarHBondContact O-N 3.39Å; A54-K57 PolarHBondContact O-N 3Å; A54-A58 WeakPolarHBondContact O-CB 3.09Å; A54-A58 PolarHBondContact O-N 2.59Å
55	L	91.1	Very high	91.7	Very high	121 Å²	121	108.7 Å²	108.7	63%	0.634	50%	0.504	S	S	*	.	H	α-helix	trans	-61.8	-44.6	175.3	-75.1	168.6	0	0	0	111.6	R51 L52 E53 A58 Q59	R51-L55 WeakPolarHBondContact O-CB 3.41Å; R51-L55 WeakPolarHBondContact O-CG 3.41Å; R51-L55 PolarHBondContact O-N 2.94Å; L52-L55 PolarHBondContact O-N 3.12Å; E53-L55 PolarHBondContact O-N 3.23Å; L55-A58 PolarHBondContact O-N 3.08Å; L55-Q59 WeakPolarHBondContact O-CB 3.41Å; L55-Q59 PolarHBondContact O-N 2.9Å
56	R	93.6	Very high	92.2	Very high	148 Å²	148	107.6 Å²	107.6	56%	0.558	50%	0.501	S	S	*	.	H	α-helix	trans	-60.9	-46.3	176.1	-77.3	174.8	178.3	162.2	-0.2	111.7	L52 E53 Q59 Q60	L52-R56 WeakPolarHBondContact O-CB 3.4Å; L52-R56 VanDerWaalsContact O-CG 3.3Å; L52-R56 WeakPolarHBondContact O-CG 3.41Å; L52-R56 PolarHBondContact O-N 3.4Å; E53-R56 PolarHBondContact O-N 3.45Å; R56-Q59 PolarHBondContact O-N 3.1Å; R56-Q60 VanDerWaalsContact O-CG 3.31Å; R56-Q60 WeakPolarHBondContact O-CG 3.38Å; R56-Q60 PolarHBondContact O-N 3.48Å
57	K	94.2	Very high	92.5	Very high	114 Å²	114	104.6 Å²	104.6	50%	0.496	51%	0.505	S	S	.	.	H	α-helix	trans	-62	-45.4	177.6	-75.3	176.2	-178.3	166.6	0	111.7	E53 A54 Q59 Q60 Q61	E53-K57 HydrophobicContact CG-CD 4.38Å; E53-K57 WeakPolarHBondContact O-CB 3.4Å; E53-K57 WeakPolarHBondContact O-CG 3.49Å; E53-K57 PolarHBondContact O-N 2.95Å; E53-K57 WeakPolarHBondContact OE1-CE 3.43Å; E53-K57 IonicContact OE1-NZ 3.84Å; E53-K57 PolarHBondContact OE1-NZ 3.15Å; E53-K57 IonicContact OE2-NZ 2.89Å; A54-K57 PolarHBondContact O-N 3Å; K57-Q59 VanDerWaalsContact C-N 3.32Å; K57-Q59 PolarHBondContact O-N 2.65Å; K57-Q60 PolarHBondContact O-N 3.27Å; K57-Q61 WeakPolarHBondContact O-CB 3.32Å; K57-Q61 PolarHBondContact O-N 2.92Å
58	A	90.3	Very high	92.9	Very high	55 Å²	55	104.6 Å²	104.6	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-40.4	177.4	0	0	0	0	0	111.9	A54 L55 K62	A54-A58 WeakPolarHBondContact O-CB 3.09Å; A54-A58 PolarHBondContact O-N 2.59Å; L55-A58 PolarHBondContact O-N 3.08Å; A58-K62 WeakPolarHBondContact O-CB 3.38Å; A58-K62 PolarHBondContact O-N 3.35Å
59	Q	93.1	Very high	93.1	Very high	119 Å²	119	98.9 Å²	98.9	56%	0.556	48%	0.481	S	S	*	.	H	α-helix	trans	-65	-45.4	175.9	-176.5	177.4	-6.7	0	0	112.1	L55 R56 K57 K62 Q63	L55-Q59 WeakPolarHBondContact O-CB 3.41Å; L55-Q59 PolarHBondContact O-N 2.9Å; R56-Q59 PolarHBondContact O-N 3.1Å; K57-Q59 VanDerWaalsContact C-N 3.32Å; K57-Q59 PolarHBondContact O-N 2.65Å; Q59-K62 PolarHBondContact O-N 3.29Å; Q59-Q63 WeakPolarHBondContact O-CG 3.43Å; Q59-Q63 PolarHBondContact O-N 3.49Å
60	Q	94.8	Very high	93.4	Very high	121 Å²	121	93.3 Å²	93.3	57%	0.565	45%	0.454	S	S	*	.	H	α-helix	trans	-61	-45.5	176.5	-73.8	171.9	1.7	0	0	111.5	R56 K57 K62 Q63 E64	R56-Q60 VanDerWaalsContact O-CG 3.31Å; R56-Q60 WeakPolarHBondContact O-CG 3.38Å; R56-Q60 PolarHBondContact O-N 3.48Å; K57-Q60 PolarHBondContact O-N 3.27Å; Q60-K62 VanDerWaalsContact C-N 3.34Å; Q60-K62 PolarHBondContact O-N 2.91Å; Q60-Q63 WeakPolarHBondContact O-CB 3.3Å; Q60-Q63 PolarHBondContact O-N 3.46Å; Q60-E64 PolarHBondContact O-N 2.93Å
61	Q	93.8	Very high	93.6	Very high	85 Å²	85	87 Å²	87	40%	0.397	43%	0.43	S	S	.	.	H	α-helix	trans	-61.4	-43	177.4	-175.3	173.4	27.6	0	0	111.6	K57 Q63 E64 W65	K57-Q61 WeakPolarHBondContact O-CB 3.32Å; K57-Q61 PolarHBondContact O-N 2.92Å; Q61-Q63 VanDerWaalsContact C-N 3.33Å; Q61-Q63 PolarHBondContact O-N 3.33Å; Q61-E64 WeakPolarHBondContact O-CB 3.36Å; Q61-E64 PolarHBondContact O-N 2.87Å; Q61-W65 HydrophobicContact CG-CD2 4.05Å; Q61-W65 HydrophobicContact CG-CE3 4.3Å; Q61-W65 HydrophobicContact CG-CH2 3.8Å; Q61-W65 HydrophobicContact CG-CZ2 3.53Å; Q61-W65 HydrophobicContact CG-CZ3 4.18Å; Q61-W65 PolarHBondContact O-N 3.25Å
62	K	93.3	Very high	93.9	Very high	110 Å²	110	84.5 Å²	84.5	48%	0.478	43%	0.426	S	S	.	.	H	α-helix	trans	-61.4	-41.4	174.6	-179.4	172.2	174.3	170.3	0	112	A58 Q59 Q60 W65 L66 L119	A58-K62 WeakPolarHBondContact O-CB 3.38Å; A58-K62 PolarHBondContact O-N 3.35Å; Q59-K62 PolarHBondContact O-N 3.29Å; Q60-K62 VanDerWaalsContact C-N 3.34Å; Q60-K62 PolarHBondContact O-N 2.91Å; K62-W65 PolarHBondContact O-N 3.12Å; K62-L66 HydrophobicContact CG-CD1 4.29Å; K62-L66 VanDerWaalsContact O-CG 3.3Å; K62-L66 WeakPolarHBondContact O-CG 3.45Å; K62-L66 PolarHBondContact O-N 3.25Å; K62-L119 HydrophobicContact CD-CD1 3.97Å; K62-L119 HydrophobicContact CG-CD1 3.84Å
63	Q	94.8	Very high	94.2	Very high	112 Å²	112	82.6 Å²	82.6	52%	0.523	41%	0.413	S	S	.	.	H	α-helix	trans	-64.5	-39.4	175.4	-73.9	176	-5.8	0	0	112.1	Q59 Q60 Q61 L66 S67	Q59-Q63 WeakPolarHBondContact O-CG 3.43Å; Q59-Q63 PolarHBondContact O-N 3.49Å; Q60-Q63 WeakPolarHBondContact O-CB 3.3Å; Q60-Q63 PolarHBondContact O-N 3.46Å; Q61-Q63 VanDerWaalsContact C-N 3.33Å; Q61-Q63 PolarHBondContact O-N 3.33Å; Q63-L66 PolarHBondContact O-N 3.28Å; Q63-S67 PolarHBondContact O-N 2.86Å
64	E	95.2	Very high	94.4	Very high	92 Å²	92	81.4 Å²	81.4	43%	0.43	41%	0.405	S	S	.	.	H	α-helix	trans	-64	-41.9	175.1	-170	-167.9	157.5	0	0	111.9	Q60 Q61 S67 K68	Q60-E64 PolarHBondContact O-N 2.93Å; Q61-E64 WeakPolarHBondContact O-CB 3.36Å; Q61-E64 PolarHBondContact O-N 2.87Å; E64-S67 PolarHBondContact O-N 3.19Å; E64-S67 PolarHBondContact O-OG 2.93Å; E64-K68 HydrophobicContact CG-CD 4.3Å; E64-K68 WeakPolarHBondContact O-CB 3.36Å; E64-K68 WeakPolarHBondContact O-CG 3.25Å; E64-K68 PolarHBondContact O-N 3.25Å; E64-K68 WeakPolarHBondContact OE1-CE 3.23Å; E64-K68 IonicContact OE1-NZ 2.59Å; E64-K68 PolarHBondContact OE1-NZ 2.92Å
65	W	95.5	Very high	94.6	Very high	56 Å²	56	82 Å²	82	21%	0.212	40%	0.398	C	S	.	.	H	α-helix	trans	-61.7	-45.4	174.6	-69.5	-29.9	0	0	0	111.6	Q61 K62 S67 K68 G69 H70 L119 E120	Q61-W65 HydrophobicContact CG-CD2 4.05Å; Q61-W65 HydrophobicContact CG-CE3 4.3Å; Q61-W65 HydrophobicContact CG-CH2 3.8Å; Q61-W65 HydrophobicContact CG-CZ2 3.53Å; Q61-W65 HydrophobicContact CG-CZ3 4.18Å; Q61-W65 PolarHBondContact O-N 3.25Å; K62-W65 PolarHBondContact O-N 3.12Å; W65-S67 PolarHBondContact O-N 3.37Å; W65-K68 CarbonylContact O-C 3.39Å; W65-K68 PolarHBondContact O-N 3.07Å; W65-G69 PolarHBondContact O-N 3.49Å; W65-G69 VanDerWaalsContact O-N 3.14Å; W65-H70 HydrophobicContact CB-CB 3.89Å; W65-H70 VanDerWaalsContact O-CB 3.29Å; W65-H70 WeakPolarHBondContact O-CB 3.24Å; W65-H70 PolarHBondContact O-CD2 2.72Å; W65-H70 PolarHBondContact O-N 3.45Å; W65-L119 WeakPolarHBondContact CB-O 3.31Å; W65-L119 HydrophobicContact CE3-CB 4.06Å; W65-E120 HydrophobicContact CH2-CB 3.58Å; W65-E120 HydrophobicContact CZ2-CB 3.81Å; W65-E120 HydrophobicContact CZ3-CB 3.99Å
66	L	94.5	Very high	94.9	Very high	90 Å²	90	76.4 Å²	76.4	47%	0.471	37%	0.368	S	S	.	.	H	α-helix	trans	-63.7	-39.7	177	-69.4	170	0	0	0	112.2	K62 Q63 K68 G69 L119	K62-L66 HydrophobicContact CG-CD1 4.29Å; K62-L66 VanDerWaalsContact O-CG 3.3Å; K62-L66 WeakPolarHBondContact O-CG 3.45Å; K62-L66 PolarHBondContact O-N 3.25Å; Q63-L66 PolarHBondContact O-N 3.28Å; L66-K68 VanDerWaalsContact C-N 3.28Å; L66-K68 PolarHBondContact O-N 3.32Å; L66-G69 WeakPolarHBondContact O-CA 3.37Å; L66-G69 PolarHBondContact O-N 2.82Å; L66-L119 HydrophobicContact CD2-CD2 4.15Å
67	S	94.7	Very high	94.9	Very high	100 Å²	100	73.6 Å²	73.6	70%	0.699	37%	0.369	S	S	*	.	H	α-helix	trans	-67.2	-30.6	177.4	72.5	0	0	0	0	112.6	Q63 E64 W65 G69	Q63-S67 PolarHBondContact O-N 2.86Å; E64-S67 PolarHBondContact O-N 3.19Å; E64-S67 PolarHBondContact O-OG 2.93Å; W65-S67 PolarHBondContact O-N 3.37Å; S67-G69 PolarHBondContact O-N 2.8Å
68	K	94.1	Very high	94.9	Very high	62 Å²	62	69.8 Å²	69.8	27%	0.27	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-2.8	169.8	-68.9	173.1	175.9	-178.2	0	112.6	E64 W65 L66 E88 K122	E64-K68 HydrophobicContact CG-CD 4.3Å; E64-K68 WeakPolarHBondContact O-CB 3.36Å; E64-K68 WeakPolarHBondContact O-CG 3.25Å; E64-K68 PolarHBondContact O-N 3.25Å; E64-K68 WeakPolarHBondContact OE1-CE 3.23Å; E64-K68 IonicContact OE1-NZ 2.59Å; E64-K68 PolarHBondContact OE1-NZ 2.92Å; W65-K68 CarbonylContact O-C 3.39Å; W65-K68 PolarHBondContact O-N 3.07Å; L66-K68 VanDerWaalsContact C-N 3.28Å; L66-K68 PolarHBondContact O-N 3.32Å; K68-E88 PolarHBondContact NZ-O 2.82Å; K68-K122 WeakPolarHBondContact O-CE 3.22Å; K68-K122 PolarHBondContact O-NZ 3.25Å
69	G	93.6	Very high	95.1	Very high	11 Å²	11	68.9 Å²	68.9	11%	0.113	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	34.4	179.5	0	0	0	0	0	114.5	W65 L66 S67 R74	W65-G69 PolarHBondContact O-N 3.49Å; W65-G69 VanDerWaalsContact O-N 3.14Å; L66-G69 WeakPolarHBondContact O-CA 3.37Å; L66-G69 PolarHBondContact O-N 2.82Å; S67-G69 PolarHBondContact O-N 2.8Å; G69-R74 PolarHBondContact O-NH1 2.85Å
70	H	96.6	Very high	95.2	Very high	4 Å²	4	72.1 Å²	72.1	2%	0.019	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	162.8	158	-64.3	-123.4	0	0	0	109.3	W65 E72 S89 L119 K122	W65-H70 HydrophobicContact CB-CB 3.89Å; W65-H70 VanDerWaalsContact O-CB 3.29Å; W65-H70 WeakPolarHBondContact O-CB 3.24Å; W65-H70 PolarHBondContact O-CD2 2.72Å; W65-H70 PolarHBondContact O-N 3.45Å; H70-E72 VanDerWaalsContact C-N 3.31Å; H70-S89 PolarHBondContact NE2-OG 3.06Å; H70-L119 WeakPolarHBondContact CB-O 3.45Å; H70-L119 PolarHBondContact ND1-O 3.01Å; H70-L119 VanDerWaalsContact ND1-O 3.14Å; H70-K122 PolarHBondContact ND1-N 3.45Å
71	G	95.6	Very high	95.2	Very high	11 Å²	11	67.6 Å²	67.6	11%	0.113	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	95	-17.5	-174.4	0	0	0	0	0	114.3	S115 K116	G71-S115 CarbonylContact C-O 3.43Å; G71-S115 WeakPolarHBondContact CA-O 3.4Å; G71-S115 CarbonylContact O-C 3.51Å; G71-S115 PolarHBondContact O-OG 2.78Å; G71-K116 WeakPolarHBondContact O-CG 3.39Å
72	E	96.3	Very high	95.3	Very high	123 Å²	123	63.9 Å²	63.9	58%	0.575	31%	0.312	S	S	*	.	S	Bend	trans	-118.1	152.9	-176.5	-62.7	-178.2	172.3	0	0	111.1	H70	H70-E72 VanDerWaalsContact C-N 3.31Å
73	Y	97.9	Very high	95.4	Very high	42 Å²	42	63.5 Å²	63.5	17%	0.165	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	107	169.9	177	-121.8	0	0	0	108.3	H95 D108 L111 A112 S115 F123 K125	Y73-H95 HydrophobicContact CE2-CB 4.47Å; Y73-H95 PolarHBondContact OH-ND1 3.22Å; Y73-D108 HydrophobicContact CE1-CB 3.95Å; Y73-D108 VanDerWaalsContact CE1-OD1 3.26Å; Y73-D108 WeakPolarHBondContact CE1-OD1 3.35Å; Y73-D108 VanDerWaalsContact CZ-OD1 3.31Å; Y73-D108 PolarHBondContact OH-OD1 2.89Å; Y73-L111 HydrophobicContact CD1-CB 4.45Å; Y73-L111 HydrophobicContact CD2-CB 3.97Å; Y73-L111 HydrophobicContact CD2-CD1 4.5Å; Y73-L111 HydrophobicContact CE1-CB 4.4Å; Y73-L111 HydrophobicContact CE2-CB 3.9Å; Y73-L111 HydrophobicContact CE2-CD1 3.66Å; Y73-L111 HydrophobicContact CE2-CG 4.45Å; Y73-L111 HydrophobicContact CG-CB 4.23Å; Y73-A112 HydrophobicContact CD1-CB 4.31Å; Y73-S115 PolarHBondContact N-OG 2.67Å; Y73-F123 HydrophobicContact CD2-CB 4.01Å; Y73-K125 HydrophobicContact CE1-CD 3.99Å; Y73-K125 HydrophobicContact CE2-CB 3.84Å; Y73-K125 HydrophobicContact CE2-CG 4.38Å; Y73-K125 VanDerWaalsContact OH-CB 3.31Å; Y73-K125 WeakPolarHBondContact OH-CB 3.46Å
74	R	96.8	Very high	95.4	Very high	74 Å²	74	63.1 Å²	63.1	28%	0.279	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	153.3	-173.6	68.9	172.1	178.8	-126.8	13.8	113.2	G69 E85 K122 L124 K125	G69-R74 PolarHBondContact O-NH1 2.85Å; R74-E85 IonicContact CZ-OE1 3.41Å; R74-E85 IonicContact NE-OE1 3.75Å; R74-E85 PolarHBondContact NE-OE1 3.41Å; R74-E85 IonicContact NH2-OE1 3.57Å; R74-E85 PolarHBondContact NH2-OE1 3.29Å; R74-E85 IonicContact NH2-OE2 3.87Å; R74-E85 PolarHBondContact NH2-OE2 3.44Å; R74-K122 VanDerWaalsContact NH2-CE 3.28Å; R74-L124 HydrophobicContact CG-CD2 3.72Å; R74-L124 CarbonylContact O-C 3.54Å; R74-L124 WeakPolarHBondContact O-CA 3.38Å; R74-K125 PolarHBondContact O-N 3.17Å
75	E	97.2	Very high	95.5	Very high	73 Å²	73	59.7 Å²	59.7	34%	0.341	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	135.9	169.9	-168.3	176.2	154.5	0	0	110.7	Y97 K125 K130	E75-Y97 HydrophobicContact CG-CE1 4.39Å; E75-Y97 PolarHBondContact OE1-OH 3.37Å; E75-Y97 VanDerWaalsContact OE1-OH 3.1Å; E75-Y97 PolarHBondContact OE2-OH 3.11Å; E75-K125 WeakPolarHBondContact CA-O 3.23Å; E75-K125 HydrophobicContact CB-CD 4.38Å; E75-K125 HydrophobicContact CB-CG 3.83Å; E75-K125 HydrophobicContact CG-CG 4.08Å; E75-K130 IonicContact OE1-NZ 3.19Å; E75-K130 PolarHBondContact OE1-NZ 2.81Å
76	I	96.8	Very high	95.4	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.015	29%	0.288	C	S	.	.			trans	-99.4	136.8	168.1	47.3	160.8	0	0	0	109.7	D81 F82 E85 L124 K125 L126	I76-D81 HydrophobicContact CB-CB 4.43Å; I76-F82 HydrophobicContact CD1-CB 3.55Å; I76-F82 HydrophobicContact CD1-CD2 4.12Å; I76-F82 HydrophobicContact CD1-CG 4.35Å; I76-E85 HydrophobicContact CG2-CG 4.18Å; I76-L124 HydrophobicContact CG2-CD1 4.39Å; I76-L124 HydrophobicContact CG2-CD2 4.06Å; I76-K125 VanDerWaalsContact CG1-O 3.28Å; I76-K125 WeakPolarHBondContact CG1-O 3.2Å; I76-K125 PolarHBondContact N-O 2.55Å; I76-L126 HydrophobicContact CD1-CB 4.05Å; I76-L126 HydrophobicContact CD1-CD1 4.03Å; I76-L126 HydrophobicContact CD1-CD2 4.07Å; I76-L126 HydrophobicContact CD1-CG 4.28Å; I76-L126 HydrophobicContact CG1-CB 3.96Å; I76-L126 HydrophobicContact CG1-CD1 3.89Å; I76-L126 HydrophobicContact CG1-CG 4.38Å; I76-L126 WeakPolarHBondContact O-CD1 3.31Å
77	P	94.2	Very high	95.5	Very high	89 Å²	89	62.4 Å²	62.4	58%	0.578	30%	0.304	S	S	*	.	S	Bend	trans	-80.6	-23.1	-169.3	28.1	-29.5	0	0	0	113.4	D81	P77-D81 WeakPolarHBondContact CD-OD2 3.36Å; P77-D81 VanDerWaalsContact CG-OD2 3.24Å; P77-D81 WeakPolarHBondContact CG-OD2 3.3Å
78	S	94.8	Very high	95.5	Very high	34 Å²	34	61.3 Å²	61.3	24%	0.238	29%	0.288	C	S	.	.	S	Bend	trans	-145.8	164.2	-177.6	78.4	0	0	0	0	113.8	R80 D81 F82	S78-R80 VanDerWaalsContact C-N 3.26Å; S78-R80 PolarHBondContact O-N 2.88Å; S78-R80 PolarHBondContact OG-N 2.89Å; S78-D81 WeakPolarHBondContact CB-OD2 3.46Å; S78-D81 PolarHBondContact N-OD2 3.48Å; S78-D81 PolarHBondContact O-N 2.9Å; S78-D81 PolarHBondContact OG-N 3.32Å; S78-D81 PolarHBondContact OG-OD2 2.82Å; S78-F82 PolarHBondContact O-N 3.32Å
79	E	94	Very high	95.5	Very high	35 Å²	35	58.7 Å²	58.7	16%	0.164	28%	0.277	C	S	.	.	H	α-helix	trans	-62.2	-32	173.5	-59.3	174.5	148.4	0	0	113.3	D81 F82 F83 A131 F133 L134	E79-D81 PolarHBondContact O-N 3.44Å; E79-F82 WeakPolarHBondContact O-CB 3.27Å; E79-F82 PolarHBondContact O-N 3.38Å; E79-F83 WeakPolarHBondContact O-CD2 3.35Å; E79-F83 PolarHBondContact O-N 2.98Å; E79-A131 HydrophobicContact CG-CB 3.4Å; E79-A131 VanDerWaalsContact CG-CB 3.4Å; E79-A131 WeakPolarHBondContact OE1-CA 3.47Å; E79-A131 VanDerWaalsContact OE1-O 3.09Å; E79-F133 WeakPolarHBondContact OE1-CA 3.27Å; E79-F133 WeakPolarHBondContact OE1-CB 3.41Å; E79-F133 PolarHBondContact OE1-N 3.01Å; E79-F133 WeakPolarHBondContact OE2-CB 3.23Å; E79-L134 HydrophobicContact CB-CB 4.39Å; E79-L134 HydrophobicContact CG-CB 3.89Å; E79-L134 PolarHBondContact OE1-N 3.45Å
80	R	94.6	Very high	95.6	Very high	187 Å²	187	65.4 Å²	65.4	71%	0.706	30%	0.303	S	S	*	.	H	α-helix	trans	-61.6	-42	178	-175.7	-173.1	66.1	-167.9	-2.2	110.1	S78 F82 F83 Q84	S78-R80 VanDerWaalsContact C-N 3.26Å; S78-R80 PolarHBondContact O-N 2.88Å; S78-R80 PolarHBondContact OG-N 2.89Å; R80-F82 VanDerWaalsContact C-N 3.31Å; R80-F82 PolarHBondContact O-N 3.04Å; R80-F83 PolarHBondContact O-N 3.33Å; R80-Q84 PolarHBondContact O-N 2.89Å
81	D	95.6	Very high	95.7	Very high	26 Å²	26	66.3 Å²	66.3	14%	0.139	31%	0.307	C	S	.	.	H	α-helix	trans	-67.6	-36.3	-179.1	-48.8	-43.9	0	0	0	110	I76 P77 S78 E79 F83 Q84 E85	I76-D81 HydrophobicContact CB-CB 4.43Å; P77-D81 WeakPolarHBondContact CD-OD2 3.36Å; P77-D81 VanDerWaalsContact CG-OD2 3.24Å; P77-D81 WeakPolarHBondContact CG-OD2 3.3Å; S78-D81 WeakPolarHBondContact CB-OD2 3.46Å; S78-D81 PolarHBondContact N-OD2 3.48Å; S78-D81 PolarHBondContact O-N 2.9Å; S78-D81 PolarHBondContact OG-N 3.32Å; S78-D81 PolarHBondContact OG-OD2 2.82Å; E79-D81 PolarHBondContact O-N 3.44Å; D81-F83 VanDerWaalsContact C-N 3.31Å; D81-F83 PolarHBondContact O-N 2.86Å; D81-Q84 WeakPolarHBondContact O-CB 3.5Å; D81-Q84 PolarHBondContact O-N 2.95Å; D81-E85 WeakPolarHBondContact O-CG 3.5Å; D81-E85 PolarHBondContact O-N 2.93Å
82	F	96	Very high	95.8	Very high	7 Å²	7	65.8 Å²	65.8	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-51.4	-48	171.9	174.3	-95.5	0	0	0	112.6	I76 S78 E79 R80 Q84 E85 V86 C94 L126 L134 L138 V149	I76-F82 HydrophobicContact CD1-CB 3.55Å; I76-F82 HydrophobicContact CD1-CD2 4.12Å; I76-F82 HydrophobicContact CD1-CG 4.35Å; S78-F82 PolarHBondContact O-N 3.32Å; E79-F82 WeakPolarHBondContact O-CB 3.27Å; E79-F82 PolarHBondContact O-N 3.38Å; R80-F82 VanDerWaalsContact C-N 3.31Å; R80-F82 PolarHBondContact O-N 3.04Å; F82-Q84 VanDerWaalsContact C-N 3.33Å; F82-Q84 PolarHBondContact O-N 3.33Å; F82-E85 PolarHBondContact O-N 3.34Å; F82-V86 HydrophobicContact CD1-CG2 4.3Å; F82-V86 HydrophobicContact CD2-CG2 4.33Å; F82-V86 HydrophobicContact CE1-CG2 3.91Å; F82-V86 HydrophobicContact CE2-CG2 3.93Å; F82-V86 HydrophobicContact CZ-CG2 3.73Å; F82-V86 WeakPolarHBondContact O-CB 3.47Å; F82-V86 VanDerWaalsContact O-CG2 3.31Å; F82-V86 WeakPolarHBondContact O-CG2 3.41Å; F82-V86 PolarHBondContact O-N 2.91Å; F82-C94 HydrophobicContact CD2-CB 4.09Å; F82-C94 HydrophobicContact CE2-CB 3.57Å; F82-L126 HydrophobicContact CB-CD2 4.47Å; F82-L134 HydrophobicContact CB-CD2 3.94Å; F82-L134 HydrophobicContact CD1-CD1 3.93Å; F82-L134 HydrophobicContact CD1-CD2 3.45Å; F82-L134 VanDerWaalsContact CD1-CD2 3.45Å; F82-L134 HydrophobicContact CD1-CG 4.36Å; F82-L134 HydrophobicContact CD2-CD2 4.05Å; F82-L134 HydrophobicContact CE1-CD1 3.91Å; F82-L134 HydrophobicContact CE1-CD2 3.89Å; F82-L134 HydrophobicContact CE2-CD2 4.43Å; F82-L134 HydrophobicContact CG-CD2 3.53Å; F82-L134 HydrophobicContact CZ-CD2 4.35Å; F82-L138 HydrophobicContact CZ-CD1 4.38Å; F82-V149 HydrophobicContact CZ-CG2 4.18Å
83	F	95	Very high	95.9	Very high	102 Å²	102	60 Å²	60	45%	0.447	28%	0.275	S	S	.	.	H	α-helix	trans	-66.2	-35.3	179.4	-66.8	-69.5	0	0	0	112.8	E79 R80 D81 K87 F133 L134	E79-F83 WeakPolarHBondContact O-CD2 3.35Å; E79-F83 PolarHBondContact O-N 2.98Å; R80-F83 PolarHBondContact O-N 3.33Å; D81-F83 VanDerWaalsContact C-N 3.31Å; D81-F83 PolarHBondContact O-N 2.86Å; F83-K87 WeakPolarHBondContact O-CB 3.22Å; F83-K87 PolarHBondContact O-N 3.26Å; F83-F133 HydrophobicContact CE2-CE1 4.47Å; F83-F133 HydrophobicContact CZ-CE1 4.32Å; F83-L134 HydrophobicContact CE1-CD1 4.28Å; F83-L134 HydrophobicContact CE2-CD1 4.35Å; F83-L134 HydrophobicContact CZ-CD1 3.74Å
84	Q	95.3	Very high	95.9	Very high	104 Å²	104	58 Å²	58	49%	0.486	27%	0.267	S	S	.	.	H	α-helix	trans	-63.7	-47.3	174.5	-179.5	168.1	4.5	0	0	110.9	R80 D81 F82 V86 K87 E88	R80-Q84 PolarHBondContact O-N 2.89Å; D81-Q84 WeakPolarHBondContact O-CB 3.5Å; D81-Q84 PolarHBondContact O-N 2.95Å; F82-Q84 VanDerWaalsContact C-N 3.33Å; F82-Q84 PolarHBondContact O-N 3.33Å; Q84-V86 VanDerWaalsContact C-N 3.35Å; Q84-V86 PolarHBondContact O-N 3.35Å; Q84-K87 WeakPolarHBondContact O-CB 3.32Å; Q84-K87 PolarHBondContact O-N 3.18Å; Q84-K87 VanDerWaalsContact O-N 3.1Å; Q84-E88 VanDerWaalsContact CG-OE1 3.27Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.46Å; Q84-E88 PolarHBondContact NE2-OE1 2.87Å; Q84-E88 WeakPolarHBondContact O-CG 3.41Å; Q84-E88 PolarHBondContact O-N 3.25Å
85	E	95.6	Very high	95.9	Very high	21 Å²	21	54.4 Å²	54.4	10%	0.098	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-41.4	-178.8	-61.2	-71	-156.3	0	0	112.5	R74 I76 D81 F82 K87 E88 S89 K122 L124	R74-E85 IonicContact CZ-OE1 3.41Å; R74-E85 IonicContact NE-OE1 3.75Å; R74-E85 PolarHBondContact NE-OE1 3.41Å; R74-E85 IonicContact NH2-OE1 3.57Å; R74-E85 PolarHBondContact NH2-OE1 3.29Å; R74-E85 IonicContact NH2-OE2 3.87Å; R74-E85 PolarHBondContact NH2-OE2 3.44Å; I76-E85 HydrophobicContact CG2-CG 4.18Å; D81-E85 WeakPolarHBondContact O-CG 3.5Å; D81-E85 PolarHBondContact O-N 2.93Å; F82-E85 PolarHBondContact O-N 3.34Å; E85-K87 VanDerWaalsContact C-N 3.29Å; E85-K87 PolarHBondContact O-N 3.5Å; E85-E88 PolarHBondContact O-N 3.46Å; E85-S89 WeakPolarHBondContact O-CB 3.33Å; E85-S89 PolarHBondContact O-N 3.34Å; E85-S89 VanDerWaalsContact O-N 3.16Å; E85-K122 IonicContact OE1-NZ 2.65Å; E85-K122 VanDerWaalsContact OE2-CE 3.23Å; E85-K122 WeakPolarHBondContact OE2-CE 3.39Å; E85-K122 IonicContact OE2-NZ 3.23Å; E85-K122 PolarHBondContact OE2-NZ 3.35Å; E85-L124 HydrophobicContact CB-CD1 3.58Å; E85-L124 HydrophobicContact CG-CD1 3.82Å
86	V	95.3	Very high	96	Very high	15 Å²	15	51 Å²	51	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-31	175.5	167.2	0	0	0	0	112.2	F82 Q84 V92 V149	F82-V86 HydrophobicContact CD1-CG2 4.3Å; F82-V86 HydrophobicContact CD2-CG2 4.33Å; F82-V86 HydrophobicContact CE1-CG2 3.91Å; F82-V86 HydrophobicContact CE2-CG2 3.93Å; F82-V86 HydrophobicContact CZ-CG2 3.73Å; F82-V86 WeakPolarHBondContact O-CB 3.47Å; F82-V86 VanDerWaalsContact O-CG2 3.31Å; F82-V86 WeakPolarHBondContact O-CG2 3.41Å; F82-V86 PolarHBondContact O-N 2.91Å; Q84-V86 VanDerWaalsContact C-N 3.35Å; Q84-V86 PolarHBondContact O-N 3.35Å; V86-V92 HydrophobicContact CG2-CB 4.29Å; V86-V92 HydrophobicContact CG2-CG1 4.25Å; V86-V92 HydrophobicContact CG2-CG2 4.29Å; V86-V149 HydrophobicContact CG1-CG1 3.6Å; V86-V149 HydrophobicContact CG2-CG1 4.15Å
87	K	94.9	Very high	96	Very high	187 Å²	187	51 Å²	51	81%	0.813	24%	0.237	S	C	*	.	H	α-helix	trans	-74.9	-35.8	176.5	-171.9	-177.7	179.2	-175.2	0	112.1	F83 Q84 E85	F83-K87 WeakPolarHBondContact O-CB 3.22Å; F83-K87 PolarHBondContact O-N 3.26Å; Q84-K87 WeakPolarHBondContact O-CB 3.32Å; Q84-K87 PolarHBondContact O-N 3.18Å; Q84-K87 VanDerWaalsContact O-N 3.1Å; E85-K87 VanDerWaalsContact C-N 3.29Å; E85-K87 PolarHBondContact O-N 3.5Å
88	E	94.8	Very high	96	Very high	78 Å²	78	51.9 Å²	51.9	36%	0.364	23%	0.229	S	C	.	.	H	α-helix	trans	-80.9	-21.5	-176.1	-70.9	175.8	-172	0	0	113.5	K68 Q84 E85	K68-E88 PolarHBondContact NZ-O 2.82Å; Q84-E88 VanDerWaalsContact CG-OE1 3.27Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.46Å; Q84-E88 PolarHBondContact NE2-OE1 2.87Å; Q84-E88 WeakPolarHBondContact O-CG 3.41Å; Q84-E88 PolarHBondContact O-N 3.25Å; E85-E88 PolarHBondContact O-N 3.46Å
89	S	95.4	Very high	95.9	Very high	7 Å²	7	55.3 Å²	55.3	5%	0.049	25%	0.245	C	C	.	.			trans	-127.4	134.8	-172.6	-57.8	0	0	0	0	112	H70 E85 K122	H70-S89 PolarHBondContact NE2-OG 3.06Å; E85-S89 WeakPolarHBondContact O-CB 3.33Å; E85-S89 PolarHBondContact O-N 3.34Å; E85-S89 VanDerWaalsContact O-N 3.16Å; S89-K122 WeakPolarHBondContact OG-CD 3.01Å
90	K	95.6	Very high	95.8	Very high	151 Å²	151	58.4 Å²	58.4	66%	0.657	27%	0.27	S	S	*	.	S	Bend	trans	-69.8	-42.5	-177.4	-66.6	-175.2	-179.8	-179.6	0	113.2	K150 D151	K90-K150 CarbonylContact O-C 3.59Å; K90-K150 VanDerWaalsContact O-CA 3.25Å; K90-K150 WeakPolarHBondContact O-CA 3.41Å; K90-D151 PolarHBondContact O-N 2.9Å
91	K	97.3	Very high	95.6	Very high	23 Å²	23	50.8 Å²	50.8	10%	0.1	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.6	-179.4	-63.2	-177.8	174.4	-160.9	0	108.5	E120 T121 K122 K150 D183 I184 N186	K91-E120 HydrophobicContact CD-CG 4.47Å; K91-T121 HydrophobicContact CB-CG2 4.07Å; K91-T121 VanDerWaalsContact CB-OG1 3.3Å; K91-T121 WeakPolarHBondContact CB-OG1 3.38Å; K91-K122 PolarHBondContact O-N 3.45Å; K91-K150 HydrophobicContact CG-CG 4.35Å; K91-D183 VanDerWaalsContact CE-O 3.27Å; K91-D183 WeakPolarHBondContact CE-O 3.35Å; K91-D183 PolarHBondContact NZ-O 3.41Å; K91-D183 IonicContact NZ-OD1 3.59Å; K91-D183 PolarHBondContact NZ-OD1 2.89Å; K91-I184 HydrophobicContact CB-CD1 3.95Å; K91-I184 WeakPolarHBondContact CD-O 3.28Å; K91-I184 HydrophobicContact CG-CD1 4.33Å; K91-N186 PolarHBondContact NZ-OD1 2.72Å
92	V	97.9	Very high	95.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.8	179.6	-177.3	0	0	0	0	109.9	V86 K122 L124 V149	V86-V92 HydrophobicContact CG2-CB 4.29Å; V86-V92 HydrophobicContact CG2-CG1 4.25Å; V86-V92 HydrophobicContact CG2-CG2 4.29Å; V92-K122 CarbonylContact C-O 3.46Å; V92-K122 WeakPolarHBondContact CA-O 3.37Å; V92-K122 HydrophobicContact CG2-CB 4.18Å; V92-L124 HydrophobicContact CG1-CD1 3.81Å; V92-L124 HydrophobicContact CG1-CG 4.43Å; V92-V149 HydrophobicContact CB-CB 4.38Å; V92-V149 PolarHBondContact N-O 3.28Å; V92-V149 PolarHBondContact O-N 3.14Å
93	V	98.1	Very high	95.4	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.3	169.2	176.8	0	0	0	0	107.4	L111 T121 K122 F123 L124 L146 L148 I184	V93-L111 HydrophobicContact CG1-CD2 4.37Å; V93-T121 HydrophobicContact CG2-CG2 3.73Å; V93-K122 PolarHBondContact N-O 3.17Å; V93-F123 HydrophobicContact CB-CD1 3.93Å; V93-F123 HydrophobicContact CB-CE1 4.14Å; V93-F123 HydrophobicContact CG1-CD1 4.16Å; V93-F123 HydrophobicContact CG1-CE1 4.35Å; V93-F123 HydrophobicContact CG2-CD1 4.46Å; V93-F123 HydrophobicContact CG2-CE1 4.19Å; V93-L124 PolarHBondContact O-N 2.83Å; V93-L146 HydrophobicContact CG1-CB 4.43Å; V93-L146 HydrophobicContact CG1-CD1 4.22Å; V93-L146 HydrophobicContact CG1-CD2 4.08Å; V93-L148 HydrophobicContact CB-CD2 4.43Å; V93-L148 HydrophobicContact CG1-CD2 3.96Å; V93-L148 HydrophobicContact CG2-CD2 3.96Å; V93-I184 HydrophobicContact CG2-CG1 3.69Å; V93-I184 HydrophobicContact CG2-CG2 3.95Å
94	C	98.1	Very high	95.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.3	178.1	-171.3	0	0	0	0	111.2	F82 F96 L124 L146 A147	F82-C94 HydrophobicContact CD2-CB 4.09Å; F82-C94 HydrophobicContact CE2-CB 3.57Å; C94-F96 HydrophobicContact CB-CE2 4.18Å; C94-L124 CarbonylContact C-O 3.49Å; C94-L124 WeakPolarHBondContact CA-O 3.39Å; C94-L146 WeakPolarHBondContact O-CA 3.26Å; C94-A147 PolarHBondContact N-O 2.89Å; C94-A147 PolarHBondContact O-N 2.83Å
95	H	98.2	Very high	95.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	108.7	175.4	176	-134.3	0	0	0	110.8	Y73 Y97 D108 L111 L124 K125 L126 P144 L146	Y73-H95 HydrophobicContact CE2-CB 4.47Å; Y73-H95 PolarHBondContact OH-ND1 3.22Å; H95-Y97 WeakPolarHBondContact CE1-CB 3.22Å; H95-Y97 PolarHBondContact O-N 2.77Å; H95-D108 IonicContact CE1-OD1 3.58Å; H95-D108 IonicContact ND1-OD1 3.01Å; H95-D108 PolarHBondContact ND1-OD1 3.38Å; H95-L111 HydrophobicContact CB-CD1 3.76Å; H95-L124 PolarHBondContact N-O 3.38Å; H95-K125 HydrophobicContact CB-CB 4.09Å; H95-K125 CarbonylContact O-C 3.57Å; H95-K125 VanDerWaalsContact O-CA 3.28Å; H95-K125 WeakPolarHBondContact O-CA 3.33Å; H95-L126 PolarHBondContact O-N 3.22Å; H95-P144 VanDerWaalsContact NE2-CB 3.26Å; H95-P144 WeakPolarHBondContact NE2-CB 3.29Å; H95-L146 HydrophobicContact CB-CD2 3.59Å
96	F	97.8	Very high	95.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	114.8	170.4	-70.1	-94.1	0	0	0	108.6	C94 L126 V128 L134 L138 I140 I143 T145 A147	C94-F96 HydrophobicContact CB-CE2 4.18Å; F96-L126 WeakPolarHBondContact CA-O 3.08Å; F96-L126 HydrophobicContact CE1-CD2 3.95Å; F96-L126 HydrophobicContact CZ-CD2 4.48Å; F96-V128 HydrophobicContact CB-CG1 3.94Å; F96-V128 HydrophobicContact CD1-CG1 4.3Å; F96-L134 HydrophobicContact CE1-CD2 3.76Å; F96-L134 HydrophobicContact CE1-CG 3.99Å; F96-L134 HydrophobicContact CZ-CD2 3.64Å; F96-L134 HydrophobicContact CZ-CG 3.96Å; F96-L138 HydrophobicContact CE2-CD1 4.06Å; F96-L138 HydrophobicContact CZ-CD1 3.66Å; F96-I140 HydrophobicContact CB-CG2 4Å; F96-I140 HydrophobicContact CD1-CG1 4.18Å; F96-I140 HydrophobicContact CD2-CD1 4.16Å; F96-I140 HydrophobicContact CD2-CG1 4.32Å; F96-I140 HydrophobicContact CE1-CG1 4.4Å; F96-I140 HydrophobicContact CE2-CD1 4.42Å; F96-I140 HydrophobicContact CG-CD1 4.41Å; F96-I140 HydrophobicContact CG-CG1 4.14Å; F96-I140 HydrophobicContact CG-CG2 4.31Å; F96-I143 HydrophobicContact CB-CD1 4.04Å; F96-I143 WeakPolarHBondContact O-CD1 3.41Å; F96-T145 PolarHBondContact N-O 2.81Å; F96-T145 PolarHBondContact O-N 3.28Å; F96-A147 HydrophobicContact CD2-CB 4.26Å; F96-A147 HydrophobicContact CE2-CB 3.67Å
97	Y	97.3	Very high	95.4	Very high	5 Å²	5	57.4 Å²	57.4	2%	0.02	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	166.3	-169.5	86.5	-83.7	0	0	0	112.6	E75 H95 D99 K125 L126 N127 V128	E75-Y97 HydrophobicContact CG-CE1 4.39Å; E75-Y97 PolarHBondContact OE1-OH 3.37Å; E75-Y97 VanDerWaalsContact OE1-OH 3.1Å; E75-Y97 PolarHBondContact OE2-OH 3.11Å; H95-Y97 WeakPolarHBondContact CE1-CB 3.22Å; H95-Y97 PolarHBondContact O-N 2.77Å; Y97-D99 WeakPolarHBondContact CE2-OD1 3.35Å; Y97-K125 HydrophobicContact CD1-CB 3.87Å; Y97-K125 HydrophobicContact CD1-CD 4.13Å; Y97-K125 HydrophobicContact CD1-CG 4.15Å; Y97-K125 HydrophobicContact CE1-CB 4.04Å; Y97-K125 HydrophobicContact CE1-CD 3.81Å; Y97-K125 HydrophobicContact CE1-CG 3.82Å; Y97-L126 VanDerWaalsContact CD1-C 3.43Å; Y97-L126 VanDerWaalsContact CD1-O 3.29Å; Y97-L126 WeakPolarHBondContact CD1-O 3.32Å; Y97-L126 VanDerWaalsContact CE1-C 3.46Å; Y97-L126 PolarHBondContact N-O 2.89Å; Y97-L126 VanDerWaalsContact N-O 3.08Å; Y97-N127 HydrophobicContact CE1-CB 3.88Å; Y97-N127 VanDerWaalsContact CE1-N 3.29Å; Y97-N127 HydrophobicContact CE2-CB 4.48Å; Y97-N127 WeakPolarHBondContact O-CA 3.37Å; Y97-V128 PolarHBondContact O-N 2.85Å
98	R	95.5	Very high	95.5	Very high	107 Å²	107	50.1 Å²	50.1	40%	0.404	24%	0.24	S	C	.	.			trans	-138.4	138	169.6	-171.4	-176.8	-68.3	168.5	-2.3	109.4	S100 A101 V128 E129 I143	R98-S100 VanDerWaalsContact CD-OG 3.28Å; R98-S100 WeakPolarHBondContact CD-OG 3.45Å; R98-S100 PolarHBondContact O-N 3.12Å; R98-A101 PolarHBondContact O-N 2.96Å; R98-V128 HydrophobicContact CB-CG2 4.2Å; R98-E129 IonicContact NE-OE1 2.74Å; R98-I143 HydrophobicContact CB-CG2 4.34Å
99	D	91.4	Very high	95.6	Very high	105 Å²	105	55.3 Å²	55.3	56%	0.561	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.7	-174.7	-67.8	-62.5	0	0	0	114.1	Y97 A101 N127	Y97-D99 WeakPolarHBondContact CE2-OD1 3.35Å; D99-A101 VanDerWaalsContact C-N 3.29Å; D99-A101 PolarHBondContact O-N 3.05Å; D99-N127 PolarHBondContact OD2-ND2 3.38Å
100	S	91.3	Very high	95.7	Very high	101 Å²	101	55.9 Å²	55.9	71%	0.706	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-12.9	178.8	55.9	0	0	0	0	114.3	R98	R98-S100 VanDerWaalsContact CD-OG 3.28Å; R98-S100 WeakPolarHBondContact CD-OG 3.45Å; R98-S100 PolarHBondContact O-N 3.12Å
101	A	91.1	Very high	95.8	Very high	27 Å²	27	48.7 Å²	48.7	22%	0.223	23%	0.226	C	C	.	.			trans	-94.3	108.5	-174.6	0	0	0	0	0	111.9	R98 D99 R103 C104 I143	R98-A101 PolarHBondContact O-N 2.96Å; D99-A101 VanDerWaalsContact C-N 3.29Å; D99-A101 PolarHBondContact O-N 3.05Å; A101-R103 VanDerWaalsContact C-N 3.29Å; A101-R103 PolarHBondContact O-N 2.94Å; A101-C104 VanDerWaalsContact O-CB 3.28Å; A101-C104 WeakPolarHBondContact O-CB 3.29Å; A101-C104 PolarHBondContact O-N 3.22Å; A101-I143 HydrophobicContact CB-CG2 4.38Å
102	F	93	Very high	95.8	Very high	137 Å²	137	49.3 Å²	49.3	60%	0.601	24%	0.236	S	C	*	.	H	α-helix	trans	-54.6	-41.1	-179.7	177.1	-103.9	0	0	0	113.5	C104 K105 I106	F102-C104 PolarHBondContact O-N 3.1Å; F102-C104 VanDerWaalsContact O-N 3.15Å; F102-K105 WeakPolarHBondContact O-CB 3.44Å; F102-K105 PolarHBondContact O-N 3.07Å; F102-I106 HydrophobicContact CD1-CD1 4.18Å; F102-I106 HydrophobicContact CE1-CD1 3.81Å; F102-I106 HydrophobicContact CE1-CG1 4.21Å
103	R	93.7	Very high	95.8	Very high	118 Å²	118	53.5 Å²	53.5	45%	0.445	26%	0.258	S	S	.	.	H	α-helix	trans	-60.3	-24.2	178.8	-73.8	-171.7	179.2	128.7	4.2	114.1	A101 K105 I106 L107 P144 F161 D168	A101-R103 VanDerWaalsContact C-N 3.29Å; A101-R103 PolarHBondContact O-N 2.94Å; R103-K105 VanDerWaalsContact C-N 3.3Å; R103-K105 PolarHBondContact O-N 2.97Å; R103-I106 HydrophobicContact CG-CD1 4.49Å; R103-I106 PolarHBondContact O-N 3.33Å; R103-L107 PolarHBondContact O-N 2.86Å; R103-P144 HydrophobicContact CB-CG 4.14Å; R103-F161 HydrophobicContact CB-CE1 4.16Å; R103-F161 HydrophobicContact CB-CE2 4.04Å; R103-F161 HydrophobicContact CB-CZ 3.54Å; R103-F161 HydrophobicContact CG-CD2 4.48Å; R103-F161 HydrophobicContact CG-CE2 3.71Å; R103-F161 HydrophobicContact CG-CZ 3.77Å; R103-F161 WeakPolarHBondContact O-CZ 3.47Å; R103-D168 IonicContact CZ-OD1 2.68Å; R103-D168 IonicContact NE-OD1 3.48Å; R103-D168 PolarHBondContact NE-OD1 2.94Å; R103-D168 IonicContact NE-OD2 2.72Å; R103-D168 IonicContact NH2-OD1 3.49Å
104	C	96	Very high	95.7	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.014	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-37.2	173.1	-64.5	0	0	0	0	111.5	A101 F102 I106 L107 D108 I143	A101-C104 VanDerWaalsContact O-CB 3.28Å; A101-C104 WeakPolarHBondContact O-CB 3.29Å; A101-C104 PolarHBondContact O-N 3.22Å; F102-C104 PolarHBondContact O-N 3.1Å; F102-C104 VanDerWaalsContact O-N 3.15Å; C104-I106 VanDerWaalsContact C-N 3.25Å; C104-I106 PolarHBondContact O-N 3.47Å; C104-L107 PolarHBondContact O-N 3.07Å; C104-D108 VanDerWaalsContact O-CG 3.28Å; C104-D108 PolarHBondContact O-N 3.12Å; C104-I143 WeakPolarHBondContact SG-CG2 3.33Å
105	K	95.6	Very high	95.7	Very high	129 Å²	129	53.6 Å²	53.6	56%	0.561	26%	0.258	S	S	*	.	H	α-helix	trans	-66.5	-29.6	179.6	-59	-177.1	178.3	-179.9	0	112.3	F102 R103 R109	F102-K105 WeakPolarHBondContact O-CB 3.44Å; F102-K105 PolarHBondContact O-N 3.07Å; R103-K105 VanDerWaalsContact C-N 3.3Å; R103-K105 PolarHBondContact O-N 2.97Å; K105-R109 PolarHBondContact O-N 2.84Å
106	I	95.4	Very high	95.6	Very high	23 Å²	23	61.3 Å²	61.3	12%	0.118	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-50.7	174.8	-58.9	173.4	0	0	0	109	F102 R103 C104 D108 R109 H110 F161 D168 F170	F102-I106 HydrophobicContact CD1-CD1 4.18Å; F102-I106 HydrophobicContact CE1-CD1 3.81Å; F102-I106 HydrophobicContact CE1-CG1 4.21Å; R103-I106 HydrophobicContact CG-CD1 4.49Å; R103-I106 PolarHBondContact O-N 3.33Å; C104-I106 VanDerWaalsContact C-N 3.25Å; C104-I106 PolarHBondContact O-N 3.47Å; I106-D108 VanDerWaalsContact C-N 3.33Å; I106-D108 PolarHBondContact O-N 3.16Å; I106-R109 WeakPolarHBondContact O-CB 3.47Å; I106-R109 PolarHBondContact O-N 2.98Å; I106-H110 PolarHBondContact O-CD2 3.35Å; I106-H110 PolarHBondContact O-N 2.65Å; I106-F161 HydrophobicContact CB-CZ 4.07Å; I106-F161 HydrophobicContact CD1-CE2 3.89Å; I106-F161 HydrophobicContact CD1-CZ 4.11Å; I106-F161 HydrophobicContact CG2-CE2 4.46Å; I106-F161 HydrophobicContact CG2-CZ 4.2Å; I106-D168 HydrophobicContact CD1-CB 3.74Å; I106-F170 HydrophobicContact CG2-CE1 3.94Å; I106-F170 HydrophobicContact CG2-CZ 4.1Å
107	L	96	Very high	95.4	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-59.3	-42.4	174.3	-99.6	119.7	0	0	0	112.7	R103 C104 R109 H110 L111 P144 L146 F161 L175	R103-L107 PolarHBondContact O-N 2.86Å; C104-L107 PolarHBondContact O-N 3.07Å; L107-R109 PolarHBondContact O-N 2.99Å; L107-H110 PolarHBondContact O-N 2.82Å; L107-H110 VanDerWaalsContact O-N 3.07Å; L107-L111 HydrophobicContact CB-CD1 4.19Å; L107-L111 HydrophobicContact CD2-CD1 3.89Å; L107-L111 HydrophobicContact CD2-CD2 4.45Å; L107-L111 HydrophobicContact CD2-CG 4.2Å; L107-L111 WeakPolarHBondContact O-CB 3.46Å; L107-L111 VanDerWaalsContact O-CG 3.25Å; L107-L111 WeakPolarHBondContact O-CG 3.48Å; L107-L111 PolarHBondContact O-N 3.14Å; L107-P144 HydrophobicContact CD1-CB 3.68Å; L107-P144 HydrophobicContact CD1-CG 3.44Å; L107-P144 VanDerWaalsContact CD1-CG 3.44Å; L107-L146 HydrophobicContact CD2-CD1 3.59Å; L107-L146 HydrophobicContact CD2-CD2 3.49Å; L107-L146 VanDerWaalsContact CD2-CD2 3.49Å; L107-L146 HydrophobicContact CD2-CG 3.57Å; L107-F161 HydrophobicContact CD1-CD1 4.27Å; L107-F161 HydrophobicContact CD1-CE1 3.47Å; L107-F161 VanDerWaalsContact CD1-CE1 3.47Å; L107-F161 HydrophobicContact CD1-CZ 4.33Å; L107-L175 HydrophobicContact CD2-CD2 4.48Å
108	D	96.9	Very high	95.4	Very high	35 Å²	35	67.2 Å²	67.2	19%	0.187	32%	0.318	C	S	.	.	H	α-helix	trans	-52.9	-41.4	178.7	-72.1	-25.7	0	0	0	111.5	Y73 H95 C104 I106 A112	Y73-D108 HydrophobicContact CE1-CB 3.95Å; Y73-D108 VanDerWaalsContact CE1-OD1 3.26Å; Y73-D108 WeakPolarHBondContact CE1-OD1 3.35Å; Y73-D108 VanDerWaalsContact CZ-OD1 3.31Å; Y73-D108 PolarHBondContact OH-OD1 2.89Å; H95-D108 IonicContact CE1-OD1 3.58Å; H95-D108 IonicContact ND1-OD1 3.01Å; H95-D108 PolarHBondContact ND1-OD1 3.38Å; C104-D108 VanDerWaalsContact O-CG 3.28Å; C104-D108 PolarHBondContact O-N 3.12Å; I106-D108 VanDerWaalsContact C-N 3.33Å; I106-D108 PolarHBondContact O-N 3.16Å; D108-A112 VanDerWaalsContact O-CB 3.24Å; D108-A112 WeakPolarHBondContact O-CB 3.33Å; D108-A112 PolarHBondContact O-N 3.4Å
109	R	96.4	Very high	95.4	Very high	187 Å²	187	63.4 Å²	63.4	71%	0.706	31%	0.305	S	S	*	.	H	α-helix	trans	-63.1	-49.8	176.7	-176.7	-171	-74.3	-168	-2.6	111.7	K105 I106 L107 I113	K105-R109 PolarHBondContact O-N 2.84Å; I106-R109 WeakPolarHBondContact O-CB 3.47Å; I106-R109 PolarHBondContact O-N 2.98Å; L107-R109 PolarHBondContact O-N 2.99Å; R109-I113 WeakPolarHBondContact O-CG1 3.39Å; R109-I113 PolarHBondContact O-N 3.01Å
110	H	97.1	Very high	95.5	Very high	18 Å²	18	59.5 Å²	59.5	8%	0.083	28%	0.283	C	S	.	.	H	α-helix	trans	-68.1	-43.1	-177.6	-64.8	-71.5	0	0	0	111.9	I106 L107 A112 I113 L114 F170 T172 L175	I106-H110 PolarHBondContact O-CD2 3.35Å; I106-H110 PolarHBondContact O-N 2.65Å; L107-H110 PolarHBondContact O-N 2.82Å; L107-H110 VanDerWaalsContact O-N 3.07Å; H110-A112 VanDerWaalsContact C-N 3.33Å; H110-A112 PolarHBondContact O-N 2.91Å; H110-I113 WeakPolarHBondContact O-CB 3.38Å; H110-I113 PolarHBondContact O-N 3.43Å; H110-I113 VanDerWaalsContact O-N 3.13Å; H110-L114 WeakPolarHBondContact O-CG 3.48Å; H110-L114 PolarHBondContact O-N 3.38Å; H110-F170 AromaticContact CD2-CE2 3.38Å; H110-F170 WeakPolarHBondContact CD2-CE2 3.36Å; H110-F170 AromaticContact CD2-CZ 3.6Å; H110-F170 PolarHBondContact CE1-O 3.13Å; H110-F170 AromaticContact CG-CE2 3.91Å; H110-F170 AromaticContact NE2-CE2 3.65Å; H110-F170 AromaticContact NE2-CZ 3.97Å; H110-F170 PolarHBondContact NE2-O 3.43Å; H110-T172 WeakPolarHBondContact ND1-CA 3.42Å; H110-T172 PolarHBondContact ND1-OG1 3.42Å; H110-L175 HydrophobicContact CB-CD2 3.71Å
111	L	97.8	Very high	95.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-36	179.4	-63.8	170.6	0	0	0	112	Y73 V93 H95 L107 I113 L114 S115 F123 L146 L175	Y73-L111 HydrophobicContact CD1-CB 4.45Å; Y73-L111 HydrophobicContact CD2-CB 3.97Å; Y73-L111 HydrophobicContact CD2-CD1 4.5Å; Y73-L111 HydrophobicContact CE1-CB 4.4Å; Y73-L111 HydrophobicContact CE2-CB 3.9Å; Y73-L111 HydrophobicContact CE2-CD1 3.66Å; Y73-L111 HydrophobicContact CE2-CG 4.45Å; Y73-L111 HydrophobicContact CG-CB 4.23Å; V93-L111 HydrophobicContact CG1-CD2 4.37Å; H95-L111 HydrophobicContact CB-CD1 3.76Å; L107-L111 HydrophobicContact CB-CD1 4.19Å; L107-L111 HydrophobicContact CD2-CD1 3.89Å; L107-L111 HydrophobicContact CD2-CD2 4.45Å; L107-L111 HydrophobicContact CD2-CG 4.2Å; L107-L111 WeakPolarHBondContact O-CB 3.46Å; L107-L111 VanDerWaalsContact O-CG 3.25Å; L107-L111 WeakPolarHBondContact O-CG 3.48Å; L107-L111 PolarHBondContact O-N 3.14Å; L111-I113 PolarHBondContact O-N 2.94Å; L111-L114 PolarHBondContact O-N 2.9Å; L111-S115 WeakPolarHBondContact O-CB 3.31Å; L111-S115 PolarHBondContact O-N 2.93Å; L111-F123 HydrophobicContact CD2-CD1 3.85Å; L111-F123 HydrophobicContact CD2-CE1 4.02Å; L111-L146 HydrophobicContact CD1-CD2 3.98Å; L111-L146 HydrophobicContact CD2-CD1 4.3Å; L111-L146 HydrophobicContact CD2-CD2 4.37Å; L111-L175 HydrophobicContact CD2-CD2 4.12Å
112	A	97.6	Very high	96.1	Very high	36 Å²	36	53.4 Å²	53.4	30%	0.298	24%	0.239	S	C	.	.	H	α-helix	trans	-65.8	-26.6	174.9	0	0	0	0	0	113.5	Y73 D108 H110 S115	Y73-A112 HydrophobicContact CD1-CB 4.31Å; D108-A112 VanDerWaalsContact O-CB 3.24Å; D108-A112 WeakPolarHBondContact O-CB 3.33Å; D108-A112 PolarHBondContact O-N 3.4Å; H110-A112 VanDerWaalsContact C-N 3.33Å; H110-A112 PolarHBondContact O-N 2.91Å; A112-S115 PolarHBondContact O-OG 2.95Å
113	I	97.3	Very high	96.4	Very high	89 Å²	89	46.9 Å²	46.9	46%	0.456	21%	0.211	S	C	.	.	H	α-helix	trans	-78.7	-48.3	172.9	-62.8	165.4	0	0	0	109.3	R109 H110 L111 S115 K116 K117 T172	R109-I113 WeakPolarHBondContact O-CG1 3.39Å; R109-I113 PolarHBondContact O-N 3.01Å; H110-I113 WeakPolarHBondContact O-CB 3.38Å; H110-I113 PolarHBondContact O-N 3.43Å; H110-I113 VanDerWaalsContact O-N 3.13Å; L111-I113 PolarHBondContact O-N 2.94Å; I113-S115 VanDerWaalsContact C-N 3.32Å; I113-S115 PolarHBondContact O-N 3.41Å; I113-K116 PolarHBondContact O-N 3.24Å; I113-K117 PolarHBondContact O-N 3.34Å; I113-T172 HydrophobicContact CB-CG2 4.3Å; I113-T172 HydrophobicContact CG2-CG2 4.09Å
114	L	97.1	Very high	96.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-35.3	-177.9	-69.4	176.4	0	0	0	112.9	H110 L111 K116 K117 H118 F123 T172 L175 E176 L179	H110-L114 WeakPolarHBondContact O-CG 3.48Å; H110-L114 PolarHBondContact O-N 3.38Å; L111-L114 PolarHBondContact O-N 2.9Å; L114-K116 PolarHBondContact O-N 3.46Å; L114-K117 PolarHBondContact O-N 3.17Å; L114-H118 PolarHBondContact O-N 3.44Å; L114-F123 HydrophobicContact CB-CE1 4.05Å; L114-F123 HydrophobicContact CB-CZ 3.92Å; L114-T172 HydrophobicContact CD1-CG2 4.36Å; L114-T172 HydrophobicContact CD2-CG2 3.66Å; L114-T172 HydrophobicContact CG-CG2 3.74Å; L114-L175 HydrophobicContact CD1-CB 4.37Å; L114-L175 HydrophobicContact CD1-CD2 3.83Å; L114-L175 HydrophobicContact CD1-CG 3.91Å; L114-E176 HydrophobicContact CD2-CB 3.82Å; L114-E176 HydrophobicContact CD2-CG 3.83Å; L114-L179 HydrophobicContact CD1-CD1 4.06Å
115	S	97.1	Very high	96.7	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-58.2	-37.2	178.9	74.4	0	0	0	0	112.3	G71 Y73 L111 A112 I113 F123	G71-S115 CarbonylContact C-O 3.43Å; G71-S115 WeakPolarHBondContact CA-O 3.4Å; G71-S115 CarbonylContact O-C 3.51Å; G71-S115 PolarHBondContact O-OG 2.78Å; Y73-S115 PolarHBondContact N-OG 2.67Å; L111-S115 WeakPolarHBondContact O-CB 3.31Å; L111-S115 PolarHBondContact O-N 2.93Å; A112-S115 PolarHBondContact O-OG 2.95Å; I113-S115 VanDerWaalsContact C-N 3.32Å; I113-S115 PolarHBondContact O-N 3.41Å; S115-F123 VanDerWaalsContact CA-CD2 3.44Å
116	K	95.9	Very high	96.8	Very high	162 Å²	162	37.1 Å²	37.1	70%	0.704	17%	0.171	S	C	*	.	H	α-helix	trans	-75.9	-29.1	179.4	-61.8	178.2	-175.1	-179.8	0	112.5	G71 I113 L114	G71-K116 WeakPolarHBondContact O-CG 3.39Å; I113-K116 PolarHBondContact O-N 3.24Å; L114-K116 PolarHBondContact O-N 3.46Å
117	K	95.1	Very high	96.8	Very high	123 Å²	123	36.2 Å²	36.2	54%	0.535	17%	0.167	S	C	.	.	H	α-helix	trans	-80.8	-38.4	-179.1	-170.5	179.9	179.6	-171	0	111.8	I113 L114 E176	I113-K117 PolarHBondContact O-N 3.34Å; L114-K117 PolarHBondContact O-N 3.17Å; K117-E176 WeakPolarHBondContact CE-OE1 3.28Å; K117-E176 IonicContact NZ-OE1 3.65Å; K117-E176 PolarHBondContact NZ-OE1 2.76Å; K117-E176 IonicContact NZ-OE2 2.85Å; K117-E176 PolarHBondContact NZ-OE2 3.44Å
118	H	95.9	Very high	96.9	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.032	17%	0.17	C	C	.	.			trans	-112.3	84.1	-173.6	-65.3	-78.8	0	0	0	111.5	L114 E120 T121 F123 E176 L185	L114-H118 PolarHBondContact O-N 3.44Å; H118-E120 VanDerWaalsContact C-OE2 3.25Å; H118-E120 VanDerWaalsContact CA-OE2 3.22Å; H118-E120 WeakPolarHBondContact CA-OE2 3.2Å; H118-E120 IonicContact CG-OE1 3.82Å; H118-E120 IonicContact ND1-OE1 2.49Å; H118-E120 PolarHBondContact ND1-OE1 3.24Å; H118-E120 IonicContact ND1-OE2 2.65Å; H118-E120 PolarHBondContact O-N 2.79Å; H118-T121 PolarHBondContact O-N 2.9Å; H118-T121 VanDerWaalsContact O-O 3.04Å; H118-F123 HydrophobicContact CB-CE2 4.04Å; H118-F123 HydrophobicContact CB-CZ 4.36Å; H118-E176 IonicContact CE1-OE1 3.7Å; H118-E176 PolarHBondContact CE1-OE1 3.08Å; H118-E176 IonicContact NE2-OE1 3.41Å; H118-E176 PolarHBondContact NE2-OE1 3.39Å; H118-L185 HydrophobicContact CB-CD2 3.72Å
119	L	95.5	Very high	96.7	Very high	27 Å²	27	41.3 Å²	41.3	14%	0.141	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-17.1	178.7	-63.4	-179.5	0	0	0	113.2	K62 W65 L66 H70 T121	K62-L119 HydrophobicContact CD-CD1 3.97Å; K62-L119 HydrophobicContact CG-CD1 3.84Å; W65-L119 WeakPolarHBondContact CB-O 3.31Å; W65-L119 HydrophobicContact CE3-CB 4.06Å; L66-L119 HydrophobicContact CD2-CD2 4.15Å; H70-L119 WeakPolarHBondContact CB-O 3.45Å; H70-L119 PolarHBondContact ND1-O 3.01Å; H70-L119 VanDerWaalsContact ND1-O 3.14Å; L119-T121 PolarHBondContact O-N 3.06Å
120	E	94.6	Very high	96.6	Very high	22 Å²	22	37.5 Å²	37.5	10%	0.103	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.6	175.9	71.7	-81.1	-167.4	0	0	113.1	W65 K91 H118 N186	W65-E120 HydrophobicContact CH2-CB 3.58Å; W65-E120 HydrophobicContact CZ2-CB 3.81Å; W65-E120 HydrophobicContact CZ3-CB 3.99Å; K91-E120 HydrophobicContact CD-CG 4.47Å; H118-E120 VanDerWaalsContact C-OE2 3.25Å; H118-E120 VanDerWaalsContact CA-OE2 3.22Å; H118-E120 WeakPolarHBondContact CA-OE2 3.2Å; H118-E120 IonicContact CG-OE1 3.82Å; H118-E120 IonicContact ND1-OE1 2.49Å; H118-E120 PolarHBondContact ND1-OE1 3.24Å; H118-E120 IonicContact ND1-OE2 2.65Å; H118-E120 PolarHBondContact O-N 2.79Å; E120-N186 HydrophobicContact CG-CB 4.38Å; E120-N186 WeakPolarHBondContact OE1-CB 3.32Å; E120-N186 PolarHBondContact OE1-N 3.47Å
121	T	97.3	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.1	-172.5	-63.4	0	0	0	0	111.1	K91 V93 H118 L119 F123 I184 L185	K91-T121 HydrophobicContact CB-CG2 4.07Å; K91-T121 VanDerWaalsContact CB-OG1 3.3Å; K91-T121 WeakPolarHBondContact CB-OG1 3.38Å; V93-T121 HydrophobicContact CG2-CG2 3.73Å; H118-T121 PolarHBondContact O-N 2.9Å; H118-T121 VanDerWaalsContact O-O 3.04Å; L119-T121 PolarHBondContact O-N 3.06Å; T121-F123 HydrophobicContact CG2-CD2 4.43Å; T121-F123 HydrophobicContact CG2-CE2 4Å; T121-F123 HydrophobicContact CG2-CZ 4.24Å; T121-F123 WeakPolarHBondContact O-CD2 3.3Å; T121-F123 WeakPolarHBondContact O-CE2 3.43Å; T121-I184 WeakPolarHBondContact CB-O 3.34Å; T121-I184 HydrophobicContact CG2-CG1 4.24Å; T121-I184 WeakPolarHBondContact CG2-O 3.31Å; T121-I184 PolarHBondContact OG1-O 3.47Å; T121-L185 HydrophobicContact CG2-CD2 3.8Å
122	K	97.4	Very high	96.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.8	179.6	-160.4	164	-175.2	167.4	0	110.8	K68 H70 R74 E85 S89 K91 V92 V93 L124	K68-K122 WeakPolarHBondContact O-CE 3.22Å; K68-K122 PolarHBondContact O-NZ 3.25Å; H70-K122 PolarHBondContact ND1-N 3.45Å; R74-K122 VanDerWaalsContact NH2-CE 3.28Å; E85-K122 IonicContact OE1-NZ 2.65Å; E85-K122 VanDerWaalsContact OE2-CE 3.23Å; E85-K122 WeakPolarHBondContact OE2-CE 3.39Å; E85-K122 IonicContact OE2-NZ 3.23Å; E85-K122 PolarHBondContact OE2-NZ 3.35Å; S89-K122 WeakPolarHBondContact OG-CD 3.01Å; K91-K122 PolarHBondContact O-N 3.45Å; V92-K122 CarbonylContact C-O 3.46Å; V92-K122 WeakPolarHBondContact CA-O 3.37Å; V92-K122 HydrophobicContact CG2-CB 4.18Å; V93-K122 PolarHBondContact N-O 3.17Å; K122-L124 HydrophobicContact CG-CD2 4.21Å; K122-L124 HydrophobicContact CG-CG 4.28Å
123	F	98.3	Very high	96.2	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.8	-179.9	-68.8	-97.1	0	0	0	110.5	Y73 V93 L111 L114 S115 H118 T121 L179 L185	Y73-F123 HydrophobicContact CD2-CB 4.01Å; V93-F123 HydrophobicContact CB-CD1 3.93Å; V93-F123 HydrophobicContact CB-CE1 4.14Å; V93-F123 HydrophobicContact CG1-CD1 4.16Å; V93-F123 HydrophobicContact CG1-CE1 4.35Å; V93-F123 HydrophobicContact CG2-CD1 4.46Å; V93-F123 HydrophobicContact CG2-CE1 4.19Å; L111-F123 HydrophobicContact CD2-CD1 3.85Å; L111-F123 HydrophobicContact CD2-CE1 4.02Å; L114-F123 HydrophobicContact CB-CE1 4.05Å; L114-F123 HydrophobicContact CB-CZ 3.92Å; S115-F123 VanDerWaalsContact CA-CD2 3.44Å; H118-F123 HydrophobicContact CB-CE2 4.04Å; H118-F123 HydrophobicContact CB-CZ 4.36Å; T121-F123 HydrophobicContact CG2-CD2 4.43Å; T121-F123 HydrophobicContact CG2-CE2 4Å; T121-F123 HydrophobicContact CG2-CZ 4.24Å; T121-F123 WeakPolarHBondContact O-CD2 3.3Å; T121-F123 WeakPolarHBondContact O-CE2 3.43Å; F123-L179 HydrophobicContact CE1-CD1 4.33Å; F123-L185 HydrophobicContact CE2-CD2 4.14Å; F123-L185 HydrophobicContact CZ-CD2 3.57Å
124	L	98.1	Very high	96	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	157.6	-175.7	-57.1	172.3	0	0	0	110	R74 I76 E85 V92 V93 C94 H95 K122	R74-L124 HydrophobicContact CG-CD2 3.72Å; R74-L124 CarbonylContact O-C 3.54Å; R74-L124 WeakPolarHBondContact O-CA 3.38Å; I76-L124 HydrophobicContact CG2-CD1 4.39Å; I76-L124 HydrophobicContact CG2-CD2 4.06Å; E85-L124 HydrophobicContact CB-CD1 3.58Å; E85-L124 HydrophobicContact CG-CD1 3.82Å; V92-L124 HydrophobicContact CG1-CD1 3.81Å; V92-L124 HydrophobicContact CG1-CG 4.43Å; V93-L124 PolarHBondContact O-N 2.83Å; C94-L124 CarbonylContact C-O 3.49Å; C94-L124 WeakPolarHBondContact CA-O 3.39Å; H95-L124 PolarHBondContact N-O 3.38Å; K122-L124 HydrophobicContact CG-CD2 4.21Å; K122-L124 HydrophobicContact CG-CG 4.28Å
125	K	97.8	Very high	95.9	Very high	42 Å²	42	41.1 Å²	41.1	18%	0.183	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.1	165.5	70.3	176.4	-171.1	172.4	0	111.6	Y73 R74 E75 I76 H95 Y97	Y73-K125 HydrophobicContact CE1-CD 3.99Å; Y73-K125 HydrophobicContact CE2-CB 3.84Å; Y73-K125 HydrophobicContact CE2-CG 4.38Å; Y73-K125 VanDerWaalsContact OH-CB 3.31Å; Y73-K125 WeakPolarHBondContact OH-CB 3.46Å; R74-K125 PolarHBondContact O-N 3.17Å; E75-K125 WeakPolarHBondContact CA-O 3.23Å; E75-K125 HydrophobicContact CB-CD 4.38Å; E75-K125 HydrophobicContact CB-CG 3.83Å; E75-K125 HydrophobicContact CG-CG 4.08Å; I76-K125 VanDerWaalsContact CG1-O 3.28Å; I76-K125 WeakPolarHBondContact CG1-O 3.2Å; I76-K125 PolarHBondContact N-O 2.55Å; H95-K125 HydrophobicContact CB-CB 4.09Å; H95-K125 CarbonylContact O-C 3.57Å; H95-K125 VanDerWaalsContact O-CA 3.28Å; H95-K125 WeakPolarHBondContact O-CA 3.33Å; Y97-K125 HydrophobicContact CD1-CB 3.87Å; Y97-K125 HydrophobicContact CD1-CD 4.13Å; Y97-K125 HydrophobicContact CD1-CG 4.15Å; Y97-K125 HydrophobicContact CE1-CB 4.04Å; Y97-K125 HydrophobicContact CE1-CD 3.81Å; Y97-K125 HydrophobicContact CE1-CG 3.82Å
126	L	97.8	Very high	95.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	124.9	-178.9	-177.9	60.3	0	0	0	109.4	I76 F82 H95 F96 Y97 V128 A131 L134	I76-L126 HydrophobicContact CD1-CB 4.05Å; I76-L126 HydrophobicContact CD1-CD1 4.03Å; I76-L126 HydrophobicContact CD1-CD2 4.07Å; I76-L126 HydrophobicContact CD1-CG 4.28Å; I76-L126 HydrophobicContact CG1-CB 3.96Å; I76-L126 HydrophobicContact CG1-CD1 3.89Å; I76-L126 HydrophobicContact CG1-CG 4.38Å; I76-L126 WeakPolarHBondContact O-CD1 3.31Å; F82-L126 HydrophobicContact CB-CD2 4.47Å; H95-L126 PolarHBondContact O-N 3.22Å; F96-L126 WeakPolarHBondContact CA-O 3.08Å; F96-L126 HydrophobicContact CE1-CD2 3.95Å; F96-L126 HydrophobicContact CZ-CD2 4.48Å; Y97-L126 VanDerWaalsContact CD1-C 3.43Å; Y97-L126 VanDerWaalsContact CD1-O 3.29Å; Y97-L126 WeakPolarHBondContact CD1-O 3.32Å; Y97-L126 VanDerWaalsContact CE1-C 3.46Å; Y97-L126 PolarHBondContact N-O 2.89Å; Y97-L126 VanDerWaalsContact N-O 3.08Å; L126-V128 PolarHBondContact O-N 3.36Å; L126-A131 HydrophobicContact CD1-CB 4Å; L126-A131 HydrophobicContact CD2-CB 3.45Å; L126-A131 VanDerWaalsContact CD2-CB 3.45Å; L126-A131 HydrophobicContact CG-CB 3.62Å; L126-L134 HydrophobicContact CD2-CD2 3.65Å
127	N	96.9	Very high	95.7	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	125.2	175.7	-174.4	-38.4	0	0	0	108.6	Y97 D99 E129 K130 A131	Y97-N127 HydrophobicContact CE1-CB 3.88Å; Y97-N127 VanDerWaalsContact CE1-N 3.29Å; Y97-N127 HydrophobicContact CE2-CB 4.48Å; Y97-N127 WeakPolarHBondContact O-CA 3.37Å; D99-N127 PolarHBondContact OD2-ND2 3.38Å; N127-E129 PolarHBondContact O-N 3.4Å; N127-E129 WeakPolarHBondContact OD1-CB 3.41Å; N127-E129 PolarHBondContact OD1-N 2.97Å; N127-K130 HydrophobicContact CB-CD 4.13Å; N127-K130 HydrophobicContact CB-CG 4.17Å; N127-K130 PolarHBondContact O-N 3.47Å; N127-A131 PolarHBondContact O-N 2.87Å
128	V	96.2	Very high	95.7	Very high	14 Å²	14	45 Å²	45	9%	0.085	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-60.9	-26.1	-178	-62.8	0	0	0	0	114	F96 Y97 R98 L126 K130 A131 I143	F96-V128 HydrophobicContact CB-CG1 3.94Å; F96-V128 HydrophobicContact CD1-CG1 4.3Å; Y97-V128 PolarHBondContact O-N 2.85Å; R98-V128 HydrophobicContact CB-CG2 4.2Å; L126-V128 PolarHBondContact O-N 3.36Å; V128-K130 VanDerWaalsContact C-N 3.31Å; V128-A131 CarbonylContact O-C 3.56Å; V128-A131 PolarHBondContact O-N 3.09Å; V128-I143 HydrophobicContact CG1-CD1 3.46Å; V128-I143 VanDerWaalsContact CG1-CD1 3.46Å; V128-I143 HydrophobicContact CG1-CG1 4.27Å
129	E	94.2	Very high	95.6	Very high	132 Å²	132	54.6 Å²	54.6	62%	0.617	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-72.4	-27.9	177.6	-61.5	177	-177.6	0	0	111.9	R98 N127 A131	R98-E129 IonicContact NE-OE1 2.74Å; N127-E129 PolarHBondContact O-N 3.4Å; N127-E129 WeakPolarHBondContact OD1-CB 3.41Å; N127-E129 PolarHBondContact OD1-N 2.97Å; E129-A131 VanDerWaalsContact C-N 3.28Å
130	K	93.8	Very high	95.5	Very high	106 Å²	106	54.4 Å²	54.4	46%	0.461	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-85.1	-5.8	174	-57.7	179.1	-171.7	168.8	0	112.3	E75 N127 V128	E75-K130 IonicContact OE1-NZ 3.19Å; E75-K130 PolarHBondContact OE1-NZ 2.81Å; N127-K130 HydrophobicContact CB-CD 4.13Å; N127-K130 HydrophobicContact CB-CG 4.17Å; N127-K130 PolarHBondContact O-N 3.47Å; V128-K130 VanDerWaalsContact C-N 3.31Å
131	A	94.6	Very high	95.5	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	28%	0.279	C	S	.	.			trans	-139.2	54.6	-169.6	0	0	0	0	0	115.2	E79 L126 N127 V128 E129 L134 C135	E79-A131 HydrophobicContact CG-CB 3.4Å; E79-A131 VanDerWaalsContact CG-CB 3.4Å; E79-A131 WeakPolarHBondContact OE1-CA 3.47Å; E79-A131 VanDerWaalsContact OE1-O 3.09Å; L126-A131 HydrophobicContact CD1-CB 4Å; L126-A131 HydrophobicContact CD2-CB 3.45Å; L126-A131 VanDerWaalsContact CD2-CB 3.45Å; L126-A131 HydrophobicContact CG-CB 3.62Å; N127-A131 PolarHBondContact O-N 2.87Å; V128-A131 CarbonylContact O-C 3.56Å; V128-A131 PolarHBondContact O-N 3.09Å; E129-A131 VanDerWaalsContact C-N 3.28Å; A131-L134 HydrophobicContact CB-CB 4.49Å; A131-C135 WeakPolarHBondContact O-CB 3.34Å; A131-C135 PolarHBondContact O-N 3.07Å; A131-C135 VanDerWaalsContact O-N 3.09Å; A131-C135 PolarHBondContact O-SG 3.39Å
132	P	94.7	Very high	95.3	Very high	87 Å²	87	66 Å²	66	57%	0.565	30%	0.301	S	S	*	.	H	α-helix	trans	-66.5	-41.7	-177.5	28.1	-34.8	0	0	0	114.4	C135 E136	P132-C135 PolarHBondContact O-N 3.25Å; P132-E136 PolarHBondContact O-N 3.25Å
133	F	94.8	Very high	95.1	Very high	114 Å²	114	68.2 Å²	68.2	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-66.6	-40.6	-179.1	164.4	-94.7	0	0	0	111.5	E79 F83 E136 R137	E79-F133 WeakPolarHBondContact OE1-CA 3.27Å; E79-F133 WeakPolarHBondContact OE1-CB 3.41Å; E79-F133 PolarHBondContact OE1-N 3.01Å; E79-F133 WeakPolarHBondContact OE2-CB 3.23Å; F83-F133 HydrophobicContact CE2-CE1 4.47Å; F83-F133 HydrophobicContact CZ-CE1 4.32Å; F133-E136 PolarHBondContact O-N 3.41Å; F133-R137 VanDerWaalsContact O-CB 3.23Å; F133-R137 WeakPolarHBondContact O-CB 3.48Å; F133-R137 PolarHBondContact O-N 3.04Å
134	L	93.6	Very high	95	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-69.3	-39.4	177.7	-169.6	63.7	0	0	0	110.8	E79 F82 F83 F96 L126 A131 E136 R137 L138	E79-L134 HydrophobicContact CB-CB 4.39Å; E79-L134 HydrophobicContact CG-CB 3.89Å; E79-L134 PolarHBondContact OE1-N 3.45Å; F82-L134 HydrophobicContact CB-CD2 3.94Å; F82-L134 HydrophobicContact CD1-CD1 3.93Å; F82-L134 HydrophobicContact CD1-CD2 3.45Å; F82-L134 VanDerWaalsContact CD1-CD2 3.45Å; F82-L134 HydrophobicContact CD1-CG 4.36Å; F82-L134 HydrophobicContact CD2-CD2 4.05Å; F82-L134 HydrophobicContact CE1-CD1 3.91Å; F82-L134 HydrophobicContact CE1-CD2 3.89Å; F82-L134 HydrophobicContact CE2-CD2 4.43Å; F82-L134 HydrophobicContact CG-CD2 3.53Å; F82-L134 HydrophobicContact CZ-CD2 4.35Å; F83-L134 HydrophobicContact CE1-CD1 4.28Å; F83-L134 HydrophobicContact CE2-CD1 4.35Å; F83-L134 HydrophobicContact CZ-CD1 3.74Å; F96-L134 HydrophobicContact CE1-CD2 3.76Å; F96-L134 HydrophobicContact CE1-CG 3.99Å; F96-L134 HydrophobicContact CZ-CD2 3.64Å; F96-L134 HydrophobicContact CZ-CG 3.96Å; L126-L134 HydrophobicContact CD2-CD2 3.65Å; A131-L134 HydrophobicContact CB-CB 4.49Å; L134-E136 VanDerWaalsContact C-N 3.32Å; L134-E136 PolarHBondContact O-N 3.39Å; L134-R137 PolarHBondContact O-N 3.36Å; L134-L138 HydrophobicContact CD1-CD1 3.72Å; L134-L138 HydrophobicContact CD1-CG 3.9Å; L134-L138 HydrophobicContact CD2-CD1 4.42Å; L134-L138 HydrophobicContact CG-CD1 3.8Å; L134-L138 HydrophobicContact CG-CG 4.25Å; L134-L138 VanDerWaalsContact O-CB 3.29Å; L134-L138 WeakPolarHBondContact O-CB 3.3Å; L134-L138 WeakPolarHBondContact O-CG 3.38Å; L134-L138 PolarHBondContact O-N 2.9Å
135	C	94.9	Very high	94.9	Very high	17 Å²	17	68.4 Å²	68.4	12%	0.115	31%	0.314	C	S	.	.	H	α-helix	trans	-60	-42.5	173.2	-70.9	0	0	0	0	111.6	A131 P132 R139 I140	A131-C135 WeakPolarHBondContact O-CB 3.34Å; A131-C135 PolarHBondContact O-N 3.07Å; A131-C135 VanDerWaalsContact O-N 3.09Å; A131-C135 PolarHBondContact O-SG 3.39Å; P132-C135 PolarHBondContact O-N 3.25Å; C135-R139 CarbonylContact O-C 3.46Å; C135-R139 WeakPolarHBondContact O-CA 3.37Å; C135-R139 PolarHBondContact O-N 2.62Å; C135-I140 HydrophobicContact CB-CB 4.2Å; C135-I140 PolarHBondContact O-N 3.28Å
136	E	95.6	Very high	94.9	Very high	157 Å²	157	66.4 Å²	66.4	73%	0.734	31%	0.305	S	S	*	.	H	α-helix	trans	-66	-49.1	175.6	-174	177.4	-178.5	0	0	111.7	P132 F133 L134 L138 R139	P132-E136 PolarHBondContact O-N 3.25Å; F133-E136 PolarHBondContact O-N 3.41Å; L134-E136 VanDerWaalsContact C-N 3.32Å; L134-E136 PolarHBondContact O-N 3.39Å; E136-L138 PolarHBondContact O-N 3.32Å; E136-R139 PolarHBondContact O-N 2.89Å
137	R	93.3	Very high	94.9	Very high	188 Å²	188	66.4 Å²	66.4	71%	0.709	31%	0.305	S	S	*	.	H	α-helix	trans	-61.2	-41.9	-177.9	-177.7	61	172.3	171.1	-0.5	112.6	F133 L134 R139	F133-R137 VanDerWaalsContact O-CB 3.23Å; F133-R137 WeakPolarHBondContact O-CB 3.48Å; F133-R137 PolarHBondContact O-N 3.04Å; L134-R137 PolarHBondContact O-N 3.36Å; R137-R139 VanDerWaalsContact C-N 3.33Å
138	L	93.4	Very high	94.9	Very high	24 Å²	24	66.2 Å²	66.2	13%	0.126	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	2.5	177.9	-61.6	-177.9	0	0	0	112.8	F82 F96 L134 E136 I140 A147 Y157	F82-L138 HydrophobicContact CZ-CD1 4.38Å; F96-L138 HydrophobicContact CE2-CD1 4.06Å; F96-L138 HydrophobicContact CZ-CD1 3.66Å; L134-L138 HydrophobicContact CD1-CD1 3.72Å; L134-L138 HydrophobicContact CD1-CG 3.9Å; L134-L138 HydrophobicContact CD2-CD1 4.42Å; L134-L138 HydrophobicContact CG-CD1 3.8Å; L134-L138 HydrophobicContact CG-CG 4.25Å; L134-L138 VanDerWaalsContact O-CB 3.29Å; L134-L138 WeakPolarHBondContact O-CB 3.3Å; L134-L138 WeakPolarHBondContact O-CG 3.38Å; L134-L138 PolarHBondContact O-N 2.9Å; E136-L138 PolarHBondContact O-N 3.32Å; L138-I140 VanDerWaalsContact C-N 3.28Å; L138-I140 HydrophobicContact CB-CD1 3.98Å; L138-I140 HydrophobicContact CB-CG1 3.94Å; L138-I140 PolarHBondContact O-N 2.94Å; L138-A147 HydrophobicContact CD1-CB 4.43Å; L138-Y157 HydrophobicContact CB-CE1 4.36Å; L138-Y157 PolarHBondContact O-OH 2.49Å
139	R	94.1	Very high	95	Very high	209 Å²	209	65.7 Å²	65.7	79%	0.789	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	39.8	179.3	-56.5	178.3	178.8	176.5	-0.3	113.6	C135 E136 R137 K141	C135-R139 CarbonylContact O-C 3.46Å; C135-R139 WeakPolarHBondContact O-CA 3.37Å; C135-R139 PolarHBondContact O-N 2.62Å; E136-R139 PolarHBondContact O-N 2.89Å; R137-R139 VanDerWaalsContact C-N 3.33Å; R139-K141 PolarHBondContact O-N 3.41Å; R139-K141 VanDerWaalsContact O-N 3.12Å
140	I	94.7	Very high	95.1	Very high	22 Å²	22	61.7 Å²	61.7	11%	0.113	28%	0.282	C	S	.	.			trans	-73.2	102.5	176.7	-50.2	-59.8	0	0	0	109	F96 C135 L138 I143 T145 Y157	F96-I140 HydrophobicContact CB-CG2 4Å; F96-I140 HydrophobicContact CD1-CG1 4.18Å; F96-I140 HydrophobicContact CD2-CD1 4.16Å; F96-I140 HydrophobicContact CD2-CG1 4.32Å; F96-I140 HydrophobicContact CE1-CG1 4.4Å; F96-I140 HydrophobicContact CE2-CD1 4.42Å; F96-I140 HydrophobicContact CG-CD1 4.41Å; F96-I140 HydrophobicContact CG-CG1 4.14Å; F96-I140 HydrophobicContact CG-CG2 4.31Å; C135-I140 HydrophobicContact CB-CB 4.2Å; C135-I140 PolarHBondContact O-N 3.28Å; L138-I140 VanDerWaalsContact C-N 3.28Å; L138-I140 HydrophobicContact CB-CD1 3.98Å; L138-I140 HydrophobicContact CB-CG1 3.94Å; L138-I140 PolarHBondContact O-N 2.94Å; I140-I143 HydrophobicContact CG2-CD1 3.72Å; I140-T145 HydrophobicContact CD1-CG2 3.77Å; I140-Y157 HydrophobicContact CD1-CD1 4.19Å; I140-Y157 HydrophobicContact CD1-CE1 3.82Å
141	K	92.9	Very high	95.2	Very high	190 Å²	190	61.5 Å²	61.5	83%	0.826	29%	0.286	S	S	*	.			trans	-107.6	-23.3	-179.3	-66	-179.1	-179.3	-178.2	0	113.9	R139	R139-K141 PolarHBondContact O-N 3.41Å; R139-K141 VanDerWaalsContact O-N 3.12Å
142	V	93.8	Very high	95.1	Very high	75 Å²	75	63.9 Å²	63.9	46%	0.455	31%	0.31	S	S	.	.	S	Bend	trans	-121.2	143	-174.7	178.4	0	0	0	0	108.3	T145 V159	V142-T145 PolarHBondContact O-OG1 2.84Å; V142-V159 HydrophobicContact CB-CG1 3.7Å; V142-V159 HydrophobicContact CG1-CG1 4.01Å; V142-V159 HydrophobicContact CG2-CG1 4.22Å
143	I	93.7	Very high	95	Very high	47 Å²	47	67 Å²	67	24%	0.241	32%	0.315	C	S	.	.	S	Bend	trans	-127.3	136.2	179.3	-61.1	-63.3	0	0	0	108.7	F96 R98 A101 C104 V128 I140	F96-I143 HydrophobicContact CB-CD1 4.04Å; F96-I143 WeakPolarHBondContact O-CD1 3.41Å; R98-I143 HydrophobicContact CB-CG2 4.34Å; A101-I143 HydrophobicContact CB-CG2 4.38Å; C104-I143 WeakPolarHBondContact SG-CG2 3.33Å; V128-I143 HydrophobicContact CG1-CD1 3.46Å; V128-I143 VanDerWaalsContact CG1-CD1 3.46Å; V128-I143 HydrophobicContact CG1-CG1 4.27Å; I140-I143 HydrophobicContact CG2-CD1 3.72Å
144	P	95.7	Very high	95.1	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.013	31%	0.307	C	S	.	.	S	Bend	cis	-73.5	150.8	-0.6	31	-35.1	0	0	0	113.3	H95 R103 L107 G160 F161	H95-P144 VanDerWaalsContact NE2-CB 3.26Å; H95-P144 WeakPolarHBondContact NE2-CB 3.29Å; R103-P144 HydrophobicContact CB-CG 4.14Å; L107-P144 HydrophobicContact CD1-CB 3.68Å; L107-P144 HydrophobicContact CD1-CG 3.44Å; L107-P144 VanDerWaalsContact CD1-CG 3.44Å; P144-G160 VanDerWaalsContact O-CA 3.3Å; P144-G160 WeakPolarHBondContact O-CA 3.39Å; P144-G160 PolarHBondContact O-N 2.61Å; P144-F161 HydrophobicContact CG-CD1 4.49Å; P144-F161 HydrophobicContact CG-CE1 3.76Å
145	T	97.1	Very high	95.1	Very high	4 Å²	4	69 Å²	69	3%	0.025	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.7	168.7	-70.1	0	0	0	0	110.2	F96 I140 V142 Y157 V158 V159	F96-T145 PolarHBondContact N-O 2.81Å; F96-T145 PolarHBondContact O-N 3.28Å; I140-T145 HydrophobicContact CD1-CG2 3.77Å; V142-T145 PolarHBondContact O-OG1 2.84Å; T145-Y157 HydrophobicContact CG2-CD1 4.03Å; T145-V158 CarbonylContact C-O 3.57Å; T145-V158 WeakPolarHBondContact CA-O 3.22Å; T145-V159 HydrophobicContact CG2-CG2 4.28Å
146	L	97.7	Very high	95.1	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.1	167.5	-60.6	-178.1	0	0	0	109.9	V93 C94 H95 L107 L111 L148 Y157 V158 L175 L179	V93-L146 HydrophobicContact CG1-CB 4.43Å; V93-L146 HydrophobicContact CG1-CD1 4.22Å; V93-L146 HydrophobicContact CG1-CD2 4.08Å; C94-L146 WeakPolarHBondContact O-CA 3.26Å; H95-L146 HydrophobicContact CB-CD2 3.59Å; L107-L146 HydrophobicContact CD2-CD1 3.59Å; L107-L146 HydrophobicContact CD2-CD2 3.49Å; L107-L146 VanDerWaalsContact CD2-CD2 3.49Å; L107-L146 HydrophobicContact CD2-CG 3.57Å; L111-L146 HydrophobicContact CD1-CD2 3.98Å; L111-L146 HydrophobicContact CD2-CD1 4.3Å; L111-L146 HydrophobicContact CD2-CD2 4.37Å; L146-L148 HydrophobicContact CB-CD2 3.97Å; L146-Y157 VanDerWaalsContact O-CA 3.24Å; L146-Y157 WeakPolarHBondContact O-CA 3.49Å; L146-V158 HydrophobicContact CB-CB 4.03Å; L146-V158 HydrophobicContact CB-CG2 4.44Å; L146-V158 HydrophobicContact CD1-CB 4.23Å; L146-V158 HydrophobicContact CD1-CG2 4.37Å; L146-V158 HydrophobicContact CG-CB 4.34Å; L146-V158 PolarHBondContact N-O 2.89Å; L146-V158 PolarHBondContact O-N 3.37Å; L146-L175 HydrophobicContact CD1-CD1 4.01Å; L146-L179 HydrophobicContact CD1-CD2 4.11Å
147	A	97.4	Very high	95.2	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.5	164.4	0	0	0	0	0	109.5	C94 F96 L138 Y157	C94-A147 PolarHBondContact N-O 2.89Å; C94-A147 PolarHBondContact O-N 2.83Å; F96-A147 HydrophobicContact CD2-CB 4.26Å; F96-A147 HydrophobicContact CE2-CB 3.67Å; L138-A147 HydrophobicContact CD1-CB 4.43Å; A147-Y157 HydrophobicContact CB-CD1 3.99Å; A147-Y157 HydrophobicContact CB-CE1 3.79Å
148	L	97.5	Very high	95.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	110.4	-178.9	-45.4	-173	0	0	0	108	V93 L146 Q155 D156 V158 L179 S182 I184	V93-L148 HydrophobicContact CB-CD2 4.43Å; V93-L148 HydrophobicContact CG1-CD2 3.96Å; V93-L148 HydrophobicContact CG2-CD2 3.96Å; L146-L148 HydrophobicContact CB-CD2 3.97Å; L148-Q155 PolarHBondContact O-N 3.03Å; L148-D156 HydrophobicContact CB-CB 4.48Å; L148-D156 WeakPolarHBondContact CB-O 3.15Å; L148-D156 HydrophobicContact CD1-CB 4.16Å; L148-D156 PolarHBondContact N-O 3.48Å; L148-D156 PolarHBondContact O-N 3.36Å; L148-V158 HydrophobicContact CD1-CG2 4.19Å; L148-L179 HydrophobicContact CD1-CD2 3.77Å; L148-L179 HydrophobicContact CD2-CD2 3.41Å; L148-L179 VanDerWaalsContact CD2-CD2 3.41Å; L148-L179 HydrophobicContact CG-CD2 4.28Å; L148-S182 WeakPolarHBondContact CD1-OG 3.48Å; L148-I184 HydrophobicContact CB-CB 4.44Å; L148-I184 HydrophobicContact CB-CG1 4.24Å; L148-I184 HydrophobicContact CD1-CG2 4.32Å; L148-I184 HydrophobicContact CD2-CG2 4.44Å
149	V	97.3	Very high	95.3	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.024	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.1	-171.4	-176.8	0	0	0	0	109.8	F82 V86 V92 K153 I184	F82-V149 HydrophobicContact CZ-CG2 4.18Å; V86-V149 HydrophobicContact CG1-CG1 3.6Å; V86-V149 HydrophobicContact CG2-CG1 4.15Å; V92-V149 HydrophobicContact CB-CB 4.38Å; V92-V149 PolarHBondContact N-O 3.28Å; V92-V149 PolarHBondContact O-N 3.14Å; V149-K153 CarbonylContact C-O 3.56Å; V149-K153 WeakPolarHBondContact CA-O 3.35Å; V149-I184 VanDerWaalsContact O-CD1 3.23Å; V149-I184 WeakPolarHBondContact O-CD1 3.25Å
150	K	96.8	Very high	95.2	Very high	48 Å²	48	50 Å²	50	21%	0.209	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.5	177.5	-170.6	-177.6	171.2	-172	0	110	K90 K91 G152 K153 Q155 D183 I184	K90-K150 CarbonylContact O-C 3.59Å; K90-K150 VanDerWaalsContact O-CA 3.25Å; K90-K150 WeakPolarHBondContact O-CA 3.41Å; K91-K150 HydrophobicContact CG-CG 4.35Å; K150-G152 VanDerWaalsContact C-N 3.27Å; K150-G152 PolarHBondContact O-N 3.14Å; K150-K153 PolarHBondContact N-O 3.25Å; K150-K153 PolarHBondContact O-N 3.42Å; K150-K153 VanDerWaalsContact O-N 3.07Å; K150-K153 VanDerWaalsContact O-O 3.08Å; K150-Q155 HydrophobicContact CB-CG 3.46Å; K150-Q155 VanDerWaalsContact CB-CG 3.46Å; K150-D183 IonicContact NZ-OD2 2.66Å; K150-D183 PolarHBondContact NZ-OD2 2.89Å; K150-I184 HydrophobicContact CB-CD1 4.16Å
151	D	94.9	Very high	95	Very high	102 Å²	102	49.1 Å²	49.1	55%	0.545	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	43.9	-179.6	-58.5	-54	0	0	0	112.5	K90 K153	K90-D151 PolarHBondContact O-N 2.9Å; D151-K153 PolarHBondContact O-N 3.4Å
152	G	93	Very high	94.8	Very high	50 Å²	50	44.9 Å²	44.9	52%	0.515	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	2.9	179.3	0	0	0	0	0	115.5	K150	K150-G152 VanDerWaalsContact C-N 3.27Å; K150-G152 PolarHBondContact O-N 3.14Å
153	K	93.7	Very high	94.3	Very high	153 Å²	153	44.4 Å²	44.4	67%	0.665	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	139	179.5	-64.6	178.9	-177.8	175.9	0	110.7	V149 K150 D151 Q155	V149-K153 CarbonylContact C-O 3.56Å; V149-K153 WeakPolarHBondContact CA-O 3.35Å; K150-K153 PolarHBondContact N-O 3.25Å; K150-K153 PolarHBondContact O-N 3.42Å; K150-K153 VanDerWaalsContact O-N 3.07Å; K150-K153 VanDerWaalsContact O-O 3.08Å; D151-K153 PolarHBondContact O-N 3.4Å; K153-Q155 PolarHBondContact O-N 3.03Å
154	T	95.1	Very high	94	Very high	54 Å²	54	42.2 Å²	42.2	33%	0.331	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	119	172	-48.1	0	0	0	0	109.4	Y157	T154-Y157 HydrophobicContact CG2-CD2 4.29Å; T154-Y157 HydrophobicContact CG2-CE1 3.96Å; T154-Y157 HydrophobicContact CG2-CE2 3.59Å; T154-Y157 VanDerWaalsContact CG2-CZ 3.43Å
155	Q	94.9	Very high	93.4	Very high	103 Å²	103	44.9 Å²	44.9	48%	0.481	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-45.3	179.3	-64.4	-62.7	-18.8	0	0	111	L148 K150 K153	L148-Q155 PolarHBondContact O-N 3.03Å; K150-Q155 HydrophobicContact CB-CG 3.46Å; K150-Q155 VanDerWaalsContact CB-CG 3.46Å; K153-Q155 PolarHBondContact O-N 3.03Å
156	D	95.3	Very high	93	Very high	53 Å²	53	50.1 Å²	50.1	28%	0.283	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	170.1	-170.7	-167.6	15.9	0	0	0	110.9	L148 R178	L148-D156 HydrophobicContact CB-CB 4.48Å; L148-D156 WeakPolarHBondContact CB-O 3.15Å; L148-D156 HydrophobicContact CD1-CB 4.16Å; L148-D156 PolarHBondContact N-O 3.48Å; L148-D156 PolarHBondContact O-N 3.36Å; D156-R178 IonicContact OD1-NH2 3.73Å; D156-R178 IonicContact OD2-CZ 3.06Å; D156-R178 IonicContact OD2-NH1 3.45Å; D156-R178 PolarHBondContact OD2-NH1 2.92Å; D156-R178 IonicContact OD2-NH2 3.99Å; D156-R178 PolarHBondContact OD2-NH2 3.48Å
157	Y	96.2	Very high	92.6	Very high	68 Å²	68	52.4 Å²	52.4	27%	0.267	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	143.4	175.6	-63.3	-89.8	0	0	0	111.2	L138 I140 T145 L146 A147 T154 R178	L138-Y157 HydrophobicContact CB-CE1 4.36Å; L138-Y157 PolarHBondContact O-OH 2.49Å; I140-Y157 HydrophobicContact CD1-CD1 4.19Å; I140-Y157 HydrophobicContact CD1-CE1 3.82Å; T145-Y157 HydrophobicContact CG2-CD1 4.03Å; L146-Y157 VanDerWaalsContact O-CA 3.24Å; L146-Y157 WeakPolarHBondContact O-CA 3.49Å; A147-Y157 HydrophobicContact CB-CD1 3.99Å; A147-Y157 HydrophobicContact CB-CE1 3.79Å; T154-Y157 HydrophobicContact CG2-CD2 4.29Å; T154-Y157 HydrophobicContact CG2-CE1 3.96Å; T154-Y157 HydrophobicContact CG2-CE2 3.59Å; T154-Y157 VanDerWaalsContact CG2-CZ 3.43Å; Y157-R178 PolarHBondContact O-NH2 3.48Å
158	V	95.4	Very high	92.3	Very high	4 Å²	4	55 Å²	55	2%	0.024	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	108.9	163.5	-173.7	0	0	0	0	107.4	T145 L146 L148 D163 R178 L179	T145-V158 CarbonylContact C-O 3.57Å; T145-V158 WeakPolarHBondContact CA-O 3.22Å; L146-V158 HydrophobicContact CB-CB 4.03Å; L146-V158 HydrophobicContact CB-CG2 4.44Å; L146-V158 HydrophobicContact CD1-CB 4.23Å; L146-V158 HydrophobicContact CD1-CG2 4.37Å; L146-V158 HydrophobicContact CG-CB 4.34Å; L146-V158 PolarHBondContact N-O 2.89Å; L146-V158 PolarHBondContact O-N 3.37Å; L148-V158 HydrophobicContact CD1-CG2 4.19Å; V158-D163 HydrophobicContact CG1-CB 4.45Å; V158-R178 HydrophobicContact CG2-CG 3.96Å; V158-L179 HydrophobicContact CG2-CD2 4.33Å
159	V	94.6	Very high	92	Very high	58 Å²	58	61.8 Å²	61.8	35%	0.352	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.8	-173.7	-175.4	0	0	0	0	109.7	V142 T145	V142-V159 HydrophobicContact CB-CG1 3.7Å; V142-V159 HydrophobicContact CG1-CG1 4.01Å; V142-V159 HydrophobicContact CG2-CG1 4.22Å; T145-V159 HydrophobicContact CG2-CG2 4.28Å
160	G	91	Very high	91.7	Very high	11 Å²	11	61.9 Å²	61.9	11%	0.113	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	-141.4	-173.9	0	0	0	0	0	111.2	P144	P144-G160 VanDerWaalsContact O-CA 3.3Å; P144-G160 WeakPolarHBondContact O-CA 3.39Å; P144-G160 PolarHBondContact O-N 2.61Å
161	F	91.9	Very high	91.6	Very high	4 Å²	4	62 Å²	62	2%	0.018	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	12.8	178.8	-60	-8	0	0	0	112.4	R103 I106 L107 P144 D163 L164 G165 N166 T167 D168 F170	R103-F161 HydrophobicContact CB-CE1 4.16Å; R103-F161 HydrophobicContact CB-CE2 4.04Å; R103-F161 HydrophobicContact CB-CZ 3.54Å; R103-F161 HydrophobicContact CG-CD2 4.48Å; R103-F161 HydrophobicContact CG-CE2 3.71Å; R103-F161 HydrophobicContact CG-CZ 3.77Å; R103-F161 WeakPolarHBondContact O-CZ 3.47Å; I106-F161 HydrophobicContact CB-CZ 4.07Å; I106-F161 HydrophobicContact CD1-CE2 3.89Å; I106-F161 HydrophobicContact CD1-CZ 4.11Å; I106-F161 HydrophobicContact CG2-CE2 4.46Å; I106-F161 HydrophobicContact CG2-CZ 4.2Å; L107-F161 HydrophobicContact CD1-CD1 4.27Å; L107-F161 HydrophobicContact CD1-CE1 3.47Å; L107-F161 VanDerWaalsContact CD1-CE1 3.47Å; L107-F161 HydrophobicContact CD1-CZ 4.33Å; P144-F161 HydrophobicContact CG-CD1 4.49Å; P144-F161 HydrophobicContact CG-CE1 3.76Å; F161-D163 VanDerWaalsContact C-N 3.3Å; F161-D163 PolarHBondContact O-N 2.85Å; F161-L164 HydrophobicContact CB-CB 4.46Å; F161-L164 HydrophobicContact CD1-CD1 4.44Å; F161-L164 CarbonylContact O-C 3.52Å; F161-L164 WeakPolarHBondContact O-CA 3.15Å; F161-L164 PolarHBondContact O-N 3.39Å; F161-G165 PolarHBondContact O-N 3.4Å; F161-N166 VanDerWaalsContact O-CA 3.22Å; F161-N166 WeakPolarHBondContact O-CA 3.5Å; F161-N166 PolarHBondContact O-N 3.34Å; F161-T167 WeakPolarHBondContact CD2-O 3.31Å; F161-D168 VanDerWaalsContact CD2-OD1 3.31Å; F161-D168 WeakPolarHBondContact CD2-OD1 3.43Å; F161-D168 HydrophobicContact CE2-CB 4.31Å; F161-D168 WeakPolarHBondContact CE2-OD1 3.46Å; F161-F170 AromaticContact CD1-CE1 3.86Å; F161-F170 HydrophobicContact CD1-CE1 3.86Å; F161-F170 HydrophobicContact CD2-CD1 4.27Å; F161-F170 AromaticContact CD2-CE1 3.98Å; F161-F170 HydrophobicContact CD2-CE1 3.98Å; F161-F170 AromaticContact CE1-CE1 3.87Å; F161-F170 HydrophobicContact CE1-CE1 3.87Å; F161-F170 HydrophobicContact CE1-CZ 4.44Å; F161-F170 HydrophobicContact CE2-CD1 4.46Å; F161-F170 AromaticContact CE2-CE1 3.87Å; F161-F170 HydrophobicContact CE2-CE1 3.87Å; F161-F170 HydrophobicContact CG-CD1 4.36Å; F161-F170 AromaticContact CG-CE1 3.98Å; F161-F170 HydrophobicContact CG-CE1 3.98Å; F161-F170 AromaticContact CZ-CE1 3.83Å; F161-F170 HydrophobicContact CZ-CE1 3.83Å
162	T	88.3	Confident	91.6	Very high	102 Å²	102	58.7 Å²	58.7	63%	0.626	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-57.7	-44.5	-175	-56.6	0	0	0	0	111.8	L164	T162-L164 PolarHBondContact O-N 3.18Å
163	D	83.9	Confident	91.5	Very high	65 Å²	65	62.2 Å²	62.2	35%	0.348	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-74.7	-8.7	177.7	-65.5	-5	0	0	0	113.4	V158 F161 R178	V158-D163 HydrophobicContact CG1-CB 4.45Å; F161-D163 VanDerWaalsContact C-N 3.3Å; F161-D163 PolarHBondContact O-N 2.85Å; D163-R178 HydrophobicContact CB-CG 4.31Å; D163-R178 IonicContact OD2-CZ 2.72Å; D163-R178 IonicContact OD2-NE 2.77Å; D163-R178 PolarHBondContact OD2-NE 3.13Å; D163-R178 IonicContact OD2-NH2 3.98Å; D163-R178 PolarHBondContact OD2-NH2 3.4Å
164	L	85.9	Confident	91.5	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-109.4	22.2	-176.4	-55.2	173.6	0	0	0	111.8	F161 T162 N166 F170 L175 R178 F196	F161-L164 HydrophobicContact CB-CB 4.46Å; F161-L164 HydrophobicContact CD1-CD1 4.44Å; F161-L164 CarbonylContact O-C 3.52Å; F161-L164 WeakPolarHBondContact O-CA 3.15Å; F161-L164 PolarHBondContact O-N 3.39Å; T162-L164 PolarHBondContact O-N 3.18Å; L164-N166 VanDerWaalsContact C-N 3.33Å; L164-F170 HydrophobicContact CB-CB 4.23Å; L164-F170 HydrophobicContact CB-CD1 4.1Å; L164-F170 HydrophobicContact CB-CG 4.03Å; L164-F170 HydrophobicContact CD1-CD1 3.97Å; L164-F170 HydrophobicContact CD1-CD2 3.94Å; L164-F170 HydrophobicContact CD1-CE1 3.74Å; L164-F170 HydrophobicContact CD1-CE2 3.73Å; L164-F170 HydrophobicContact CD1-CG 4.07Å; L164-F170 HydrophobicContact CD1-CZ 3.62Å; L164-L175 HydrophobicContact CD1-CD1 4.16Å; L164-L175 HydrophobicContact CD2-CB 4.5Å; L164-L175 HydrophobicContact CD2-CD1 4.3Å; L164-R178 HydrophobicContact CD2-CB 4.08Å; L164-R178 HydrophobicContact CD2-CG 4.38Å; L164-F196 HydrophobicContact CB-CZ 4.16Å; L164-F196 HydrophobicContact CD2-CZ 3.94Å; L164-F196 WeakPolarHBondContact O-CE1 3.46Å
165	G	83.9	Confident	91.5	Very high	59 Å²	59	52.4 Å²	52.4	61%	0.608	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	10.1	-179.4	0	0	0	0	0	114.6	F161 T167	F161-G165 PolarHBondContact O-N 3.4Å; G165-T167 PolarHBondContact O-N 3.21Å
166	N	88.1	Confident	91.5	Very high	114 Å²	114	48 Å²	48	61%	0.61	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	33	179.9	-161.8	39.7	0	0	0	113.6	F161 L164	F161-N166 VanDerWaalsContact O-CA 3.22Å; F161-N166 WeakPolarHBondContact O-CA 3.5Å; F161-N166 PolarHBondContact O-N 3.34Å; L164-N166 VanDerWaalsContact C-N 3.33Å
167	T	89	Confident	91.4	Very high	49 Å²	49	47.1 Å²	47.1	30%	0.301	27%	0.268	S	S	.	.			trans	-113	148.6	176.1	-179.7	0	0	0	0	109.7	F161 G165 D169 F170	F161-T167 WeakPolarHBondContact CD2-O 3.31Å; G165-T167 PolarHBondContact O-N 3.21Å; T167-D169 VanDerWaalsContact C-N 3.28Å; T167-D169 PolarHBondContact OG1-N 2.83Å; T167-F170 HydrophobicContact CG2-CB 4.22Å; T167-F170 WeakPolarHBondContact O-CD1 3.45Å
168	D	91.5	Very high	91.3	Very high	54 Å²	54	45.4 Å²	45.4	29%	0.289	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.8	175.4	-69	-10.7	0	0	0	111.9	R103 I106 F161	R103-D168 IonicContact CZ-OD1 2.68Å; R103-D168 IonicContact NE-OD1 3.48Å; R103-D168 PolarHBondContact NE-OD1 2.94Å; R103-D168 IonicContact NE-OD2 2.72Å; R103-D168 IonicContact NH2-OD1 3.49Å; I106-D168 HydrophobicContact CD1-CB 3.74Å; F161-D168 VanDerWaalsContact CD2-OD1 3.31Å; F161-D168 WeakPolarHBondContact CD2-OD1 3.43Å; F161-D168 HydrophobicContact CE2-CB 4.31Å; F161-D168 WeakPolarHBondContact CE2-OD1 3.46Å
169	D	91.3	Very high	91.2	Very high	142 Å²	142	45.2 Å²	45.2	76%	0.759	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	30.5	-175.2	-61.3	-49.8	0	0	0	113.7	T167	T167-D169 VanDerWaalsContact C-N 3.28Å; T167-D169 PolarHBondContact OG1-N 2.83Å
170	F	91.9	Very high	91.2	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.031	24%	0.244	C	C	.	.			trans	-68.4	152.8	177.4	66.8	-93.6	0	0	0	111.8	I106 H110 F161 L164 T167 L175 F196	I106-F170 HydrophobicContact CG2-CE1 3.94Å; I106-F170 HydrophobicContact CG2-CZ 4.1Å; H110-F170 AromaticContact CD2-CE2 3.38Å; H110-F170 WeakPolarHBondContact CD2-CE2 3.36Å; H110-F170 AromaticContact CD2-CZ 3.6Å; H110-F170 PolarHBondContact CE1-O 3.13Å; H110-F170 AromaticContact CG-CE2 3.91Å; H110-F170 AromaticContact NE2-CE2 3.65Å; H110-F170 AromaticContact NE2-CZ 3.97Å; H110-F170 PolarHBondContact NE2-O 3.43Å; F161-F170 AromaticContact CD1-CE1 3.86Å; F161-F170 HydrophobicContact CD1-CE1 3.86Å; F161-F170 HydrophobicContact CD2-CD1 4.27Å; F161-F170 AromaticContact CD2-CE1 3.98Å; F161-F170 HydrophobicContact CD2-CE1 3.98Å; F161-F170 AromaticContact CE1-CE1 3.87Å; F161-F170 HydrophobicContact CE1-CE1 3.87Å; F161-F170 HydrophobicContact CE1-CZ 4.44Å; F161-F170 HydrophobicContact CE2-CD1 4.46Å; F161-F170 AromaticContact CE2-CE1 3.87Å; F161-F170 HydrophobicContact CE2-CE1 3.87Å; F161-F170 HydrophobicContact CG-CD1 4.36Å; F161-F170 AromaticContact CG-CE1 3.98Å; F161-F170 HydrophobicContact CG-CE1 3.98Å; F161-F170 AromaticContact CZ-CE1 3.83Å; F161-F170 HydrophobicContact CZ-CE1 3.83Å; L164-F170 HydrophobicContact CB-CB 4.23Å; L164-F170 HydrophobicContact CB-CD1 4.1Å; L164-F170 HydrophobicContact CB-CG 4.03Å; L164-F170 HydrophobicContact CD1-CD1 3.97Å; L164-F170 HydrophobicContact CD1-CD2 3.94Å; L164-F170 HydrophobicContact CD1-CE1 3.74Å; L164-F170 HydrophobicContact CD1-CE2 3.73Å; L164-F170 HydrophobicContact CD1-CG 4.07Å; L164-F170 HydrophobicContact CD1-CZ 3.62Å; T167-F170 HydrophobicContact CG2-CB 4.22Å; T167-F170 WeakPolarHBondContact O-CD1 3.45Å; F170-L175 HydrophobicContact CD2-CB 4.35Å; F170-L175 HydrophobicContact CE2-CB 3.97Å; F170-L175 HydrophobicContact CE2-CD2 4.33Å; F170-F196 HydrophobicContact CB-CE1 4.19Å
171	T	93.4	Very high	91.2	Very high	51 Å²	51	44.7 Å²	44.7	31%	0.313	26%	0.257	S	S	.	.			trans	-82.9	160.3	-177.9	64.5	0	0	0	0	112.3	E173 S174 L175	T171-E173 PolarHBondContact O-N 3.07Å; T171-S174 WeakPolarHBondContact O-CB 3.01Å; T171-S174 PolarHBondContact O-N 3.19Å; T171-S174 WeakPolarHBondContact OG1-CB 3.19Å; T171-S174 PolarHBondContact OG1-N 3.31Å; T171-S174 PolarHBondContact OG1-OG 3.32Å; T171-L175 PolarHBondContact O-N 3.29Å
172	T	94.7	Very high	91.2	Very high	32 Å²	32	45.5 Å²	45.5	20%	0.196	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-37.2	173.1	-54.9	0	0	0	0	111.7	H110 I113 L114 S174 L175 E176	H110-T172 WeakPolarHBondContact ND1-CA 3.42Å; H110-T172 PolarHBondContact ND1-OG1 3.42Å; I113-T172 HydrophobicContact CB-CG2 4.3Å; I113-T172 HydrophobicContact CG2-CG2 4.09Å; L114-T172 HydrophobicContact CD1-CG2 4.36Å; L114-T172 HydrophobicContact CD2-CG2 3.66Å; L114-T172 HydrophobicContact CG-CG2 3.74Å; T172-S174 VanDerWaalsContact C-N 3.27Å; T172-S174 PolarHBondContact O-N 3.4Å; T172-L175 PolarHBondContact O-N 3.37Å; T172-E176 WeakPolarHBondContact O-CB 3.45Å; T172-E176 PolarHBondContact O-N 3.05Å
173	E	92.6	Very high	91.4	Very high	123 Å²	123	44.3 Å²	44.3	58%	0.575	25%	0.252	S	S	*	.	H	α-helix	trans	-62.2	-35.3	177.4	-62	173.2	175.3	0	0	112.5	T171 E176 W177	T171-E173 PolarHBondContact O-N 3.07Å; E173-E176 WeakPolarHBondContact O-CB 3.35Å; E173-E176 PolarHBondContact O-N 2.74Å; E173-W177 VanDerWaalsContact O-CB 3.31Å; E173-W177 WeakPolarHBondContact O-CB 3.37Å; E173-W177 PolarHBondContact O-N 3.26Å
174	S	92.4	Very high	91.9	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-45.4	176.1	-78.1	0	0	0	0	112.3	T171 T172 R178 F196	T171-S174 WeakPolarHBondContact O-CB 3.01Å; T171-S174 PolarHBondContact O-N 3.19Å; T171-S174 WeakPolarHBondContact OG1-CB 3.19Å; T171-S174 PolarHBondContact OG1-N 3.31Å; T171-S174 PolarHBondContact OG1-OG 3.32Å; T172-S174 VanDerWaalsContact C-N 3.27Å; T172-S174 PolarHBondContact O-N 3.4Å; S174-R178 PolarHBondContact O-N 2.82Å; S174-F196 WeakPolarHBondContact OG-CD1 3.44Å; S174-F196 WeakPolarHBondContact OG-CE1 3.28Å; S174-F196 WeakPolarHBondContact OG-CZ 3.48Å
175	L	94.7	Very high	92.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.2	-41.7	172.8	179.8	61	0	0	0	111.3	L107 H110 L111 L114 L146 L164 F170 T171 T172 W177 R178 L179	L107-L175 HydrophobicContact CD2-CD2 4.48Å; H110-L175 HydrophobicContact CB-CD2 3.71Å; L111-L175 HydrophobicContact CD2-CD2 4.12Å; L114-L175 HydrophobicContact CD1-CB 4.37Å; L114-L175 HydrophobicContact CD1-CD2 3.83Å; L114-L175 HydrophobicContact CD1-CG 3.91Å; L146-L175 HydrophobicContact CD1-CD1 4.01Å; L164-L175 HydrophobicContact CD1-CD1 4.16Å; L164-L175 HydrophobicContact CD2-CB 4.5Å; L164-L175 HydrophobicContact CD2-CD1 4.3Å; F170-L175 HydrophobicContact CD2-CB 4.35Å; F170-L175 HydrophobicContact CE2-CB 3.97Å; F170-L175 HydrophobicContact CE2-CD2 4.33Å; T171-L175 PolarHBondContact O-N 3.29Å; T172-L175 PolarHBondContact O-N 3.37Å; L175-W177 PolarHBondContact O-N 3.42Å; L175-R178 PolarHBondContact O-N 3.35Å; L175-L179 HydrophobicContact CD1-CD1 4.25Å; L175-L179 HydrophobicContact CD1-CG 4.19Å; L175-L179 HydrophobicContact CG-CD1 4.07Å; L175-L179 HydrophobicContact CG-CG 4.41Å; L175-L179 VanDerWaalsContact O-CG 3.27Å; L175-L179 WeakPolarHBondContact O-CG 3.45Å; L175-L179 PolarHBondContact O-N 2.99Å
176	E	94.8	Very high	92.7	Very high	9 Å²	9	43.1 Å²	43.1	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-57.1	-48.2	177.2	-165.2	-178.1	163.2	0	0	111.8	L114 K117 H118 T172 E173 R178 L179 G180 L185 Y187	L114-E176 HydrophobicContact CD2-CB 3.82Å; L114-E176 HydrophobicContact CD2-CG 3.83Å; K117-E176 WeakPolarHBondContact CE-OE1 3.28Å; K117-E176 IonicContact NZ-OE1 3.65Å; K117-E176 PolarHBondContact NZ-OE1 2.76Å; K117-E176 IonicContact NZ-OE2 2.85Å; K117-E176 PolarHBondContact NZ-OE2 3.44Å; H118-E176 IonicContact CE1-OE1 3.7Å; H118-E176 PolarHBondContact CE1-OE1 3.08Å; H118-E176 IonicContact NE2-OE1 3.41Å; H118-E176 PolarHBondContact NE2-OE1 3.39Å; T172-E176 WeakPolarHBondContact O-CB 3.45Å; T172-E176 PolarHBondContact O-N 3.05Å; E173-E176 WeakPolarHBondContact O-CB 3.35Å; E173-E176 PolarHBondContact O-N 2.74Å; E176-R178 PolarHBondContact O-N 3.25Å; E176-L179 PolarHBondContact O-N 2.68Å; E176-G180 PolarHBondContact O-N 3.08Å; E176-L185 HydrophobicContact CG-CD1 4.2Å; E176-Y187 HydrophobicContact CG-CD2 4.01Å; E176-Y187 HydrophobicContact CG-CE2 4.28Å
177	W	93.3	Very high	92.7	Very high	36 Å²	36	40.3 Å²	40.3	14%	0.136	21%	0.213	C	C	.	.	H	α-helix	trans	-58.6	-48.1	176.2	175.2	89.1	0	0	0	110.9	E173 L175 L179 G180 C181 Y187 N190 L191 P194 P195 F196	E173-W177 VanDerWaalsContact O-CB 3.31Å; E173-W177 WeakPolarHBondContact O-CB 3.37Å; E173-W177 PolarHBondContact O-N 3.26Å; L175-W177 PolarHBondContact O-N 3.42Å; W177-L179 VanDerWaalsContact C-N 3.3Å; W177-L179 PolarHBondContact O-N 3.48Å; W177-G180 CarbonylContact O-C 3.58Å; W177-G180 WeakPolarHBondContact O-CA 3.29Å; W177-G180 PolarHBondContact O-N 3.49Å; W177-C181 VanDerWaalsContact CE2-SG 3.57Å; W177-C181 VanDerWaalsContact CZ2-SG 3.56Å; W177-C181 PolarHBondContact O-N 2.87Å; W177-C181 PolarHBondContact O-SG 3.03Å; W177-Y187 HydrophobicContact CB-CE2 4.36Å; W177-Y187 AromaticContact CD1-CE1 3.77Å; W177-Y187 AromaticContact CD1-CZ 3.92Å; W177-N190 PolarHBondContact NE1-O 2.94Å; W177-L191 WeakPolarHBondContact CZ2-O 3.37Å; W177-L191 PolarHBondContact NE1-O 3.37Å; W177-P194 HydrophobicContact CD2-CB 4.3Å; W177-P194 HydrophobicContact CE3-CB 4.26Å; W177-P194 HydrophobicContact CH2-CB 3.66Å; W177-P194 HydrophobicContact CH2-CG 4.39Å; W177-P194 HydrophobicContact CZ2-CB 3.65Å; W177-P194 HydrophobicContact CZ2-CG 4.3Å; W177-P194 HydrophobicContact CZ3-CB 3.96Å; W177-P195 HydrophobicContact CB-CG 4Å; W177-P195 VanDerWaalsContact CG-CD 3.48Å; W177-P195 HydrophobicContact CG-CG 4.27Å; W177-F196 HydrophobicContact CE3-CE2 4.37Å
178	R	94.3	Very high	92.3	Very high	31 Å²	31	43.7 Å²	43.7	12%	0.117	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-39	-179.4	176.7	58.5	-172.3	96	-4.2	112.5	D156 Y157 V158 D163 L164 S174 L175 E176	D156-R178 IonicContact OD1-NH2 3.73Å; D156-R178 IonicContact OD2-CZ 3.06Å; D156-R178 IonicContact OD2-NH1 3.45Å; D156-R178 PolarHBondContact OD2-NH1 2.92Å; D156-R178 IonicContact OD2-NH2 3.99Å; D156-R178 PolarHBondContact OD2-NH2 3.48Å; Y157-R178 PolarHBondContact O-NH2 3.48Å; V158-R178 HydrophobicContact CG2-CG 3.96Å; D163-R178 HydrophobicContact CB-CG 4.31Å; D163-R178 IonicContact OD2-CZ 2.72Å; D163-R178 IonicContact OD2-NE 2.77Å; D163-R178 PolarHBondContact OD2-NE 3.13Å; D163-R178 IonicContact OD2-NH2 3.98Å; D163-R178 PolarHBondContact OD2-NH2 3.4Å; L164-R178 HydrophobicContact CD2-CB 4.08Å; L164-R178 HydrophobicContact CD2-CG 4.38Å; S174-R178 PolarHBondContact O-N 2.82Å; L175-R178 PolarHBondContact O-N 3.35Å; E176-R178 PolarHBondContact O-N 3.25Å
179	L	94.8	Very high	91.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-69.9	-40.3	174.4	-66.2	177.6	0	0	0	110.6	L114 F123 L146 L148 V158 L175 E176 W177 C181 S182 I184 L185	L114-L179 HydrophobicContact CD1-CD1 4.06Å; F123-L179 HydrophobicContact CE1-CD1 4.33Å; L146-L179 HydrophobicContact CD1-CD2 4.11Å; L148-L179 HydrophobicContact CD1-CD2 3.77Å; L148-L179 HydrophobicContact CD2-CD2 3.41Å; L148-L179 VanDerWaalsContact CD2-CD2 3.41Å; L148-L179 HydrophobicContact CG-CD2 4.28Å; V158-L179 HydrophobicContact CG2-CD2 4.33Å; L175-L179 HydrophobicContact CD1-CD1 4.25Å; L175-L179 HydrophobicContact CD1-CG 4.19Å; L175-L179 HydrophobicContact CG-CD1 4.07Å; L175-L179 HydrophobicContact CG-CG 4.41Å; L175-L179 VanDerWaalsContact O-CG 3.27Å; L175-L179 WeakPolarHBondContact O-CG 3.45Å; L175-L179 PolarHBondContact O-N 2.99Å; E176-L179 PolarHBondContact O-N 2.68Å; W177-L179 VanDerWaalsContact C-N 3.3Å; W177-L179 PolarHBondContact O-N 3.48Å; L179-C181 VanDerWaalsContact C-N 3.3Å; L179-C181 PolarHBondContact O-N 2.88Å; L179-S182 PolarHBondContact O-N 3.15Å; L179-S182 VanDerWaalsContact O-N 3.08Å; L179-S182 PolarHBondContact O-OG 3.36Å; L179-I184 HydrophobicContact CB-CG2 3.68Å; L179-I184 HydrophobicContact CD2-CG2 3.98Å; L179-I184 HydrophobicContact CG-CG2 4.36Å; L179-I184 WeakPolarHBondContact O-CG2 3.28Å; L179-I184 PolarHBondContact O-N 2.52Å; L179-L185 HydrophobicContact CB-CD1 3.48Å; L179-L185 VanDerWaalsContact CB-CD1 3.48Å; L179-L185 HydrophobicContact CB-CG 3.8Å; L179-L185 HydrophobicContact CD1-CD1 3.79Å; L179-L185 HydrophobicContact CD1-CG 4.47Å; L179-L185 HydrophobicContact CG-CD1 4.29Å
180	G	93.7	Very high	91	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-55.5	-40.5	172.3	0	0	0	0	0	113.5	E176 W177 S182 D183	E176-G180 PolarHBondContact O-N 3.08Å; W177-G180 CarbonylContact O-C 3.58Å; W177-G180 WeakPolarHBondContact O-CA 3.29Å; W177-G180 PolarHBondContact O-N 3.49Å; G180-S182 PolarHBondContact O-N 3.24Å; G180-S182 VanDerWaalsContact O-N 3.15Å; G180-D183 PolarHBondContact O-N 3.25Å
181	C	91.7	Very high	90.4	Very high	56 Å²	56	43.1 Å²	43.1	38%	0.378	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.3	176.2	-64.1	0	0	0	0	114	W177 L179	W177-C181 VanDerWaalsContact CE2-SG 3.57Å; W177-C181 VanDerWaalsContact CZ2-SG 3.56Å; W177-C181 PolarHBondContact O-N 2.87Å; W177-C181 PolarHBondContact O-SG 3.03Å; L179-C181 VanDerWaalsContact C-N 3.3Å; L179-C181 PolarHBondContact O-N 2.88Å
182	S	91.2	Very high	89.4	Confident	20 Å²	20	48.6 Å²	48.6	14%	0.14	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	4.4	176.5	66.6	0	0	0	0	114.3	L148 L179 G180 I184	L148-S182 WeakPolarHBondContact CD1-OG 3.48Å; L179-S182 PolarHBondContact O-N 3.15Å; L179-S182 VanDerWaalsContact O-N 3.08Å; L179-S182 PolarHBondContact O-OG 3.36Å; G180-S182 PolarHBondContact O-N 3.24Å; G180-S182 VanDerWaalsContact O-N 3.15Å; S182-I184 PolarHBondContact O-N 2.91Å; S182-I184 VanDerWaalsContact O-N 3.12Å; S182-I184 WeakPolarHBondContact OG-CG2 3.26Å
183	D	92.1	Very high	88.5	Confident	77 Å²	77	53.3 Å²	53.3	41%	0.412	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	25.5	-173.3	-173.6	23.8	0	0	0	113.2	K91 K150 G180	K91-D183 VanDerWaalsContact CE-O 3.27Å; K91-D183 WeakPolarHBondContact CE-O 3.35Å; K91-D183 PolarHBondContact NZ-O 3.41Å; K91-D183 IonicContact NZ-OD1 3.59Å; K91-D183 PolarHBondContact NZ-OD1 2.89Å; K150-D183 IonicContact NZ-OD2 2.66Å; K150-D183 PolarHBondContact NZ-OD2 2.89Å; G180-D183 PolarHBondContact O-N 3.25Å
184	I	95.1	Very high	87.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-85	-14.3	172.1	-152.8	64	0	0	0	111.7	K91 V93 T121 L148 V149 K150 L179 S182	K91-I184 HydrophobicContact CB-CD1 3.95Å; K91-I184 WeakPolarHBondContact CD-O 3.28Å; K91-I184 HydrophobicContact CG-CD1 4.33Å; V93-I184 HydrophobicContact CG2-CG1 3.69Å; V93-I184 HydrophobicContact CG2-CG2 3.95Å; T121-I184 WeakPolarHBondContact CB-O 3.34Å; T121-I184 HydrophobicContact CG2-CG1 4.24Å; T121-I184 WeakPolarHBondContact CG2-O 3.31Å; T121-I184 PolarHBondContact OG1-O 3.47Å; L148-I184 HydrophobicContact CB-CB 4.44Å; L148-I184 HydrophobicContact CB-CG1 4.24Å; L148-I184 HydrophobicContact CD1-CG2 4.32Å; L148-I184 HydrophobicContact CD2-CG2 4.44Å; V149-I184 VanDerWaalsContact O-CD1 3.23Å; V149-I184 WeakPolarHBondContact O-CD1 3.25Å; K150-I184 HydrophobicContact CB-CD1 4.16Å; L179-I184 HydrophobicContact CB-CG2 3.68Å; L179-I184 HydrophobicContact CD2-CG2 3.98Å; L179-I184 HydrophobicContact CG-CG2 4.36Å; L179-I184 WeakPolarHBondContact O-CG2 3.28Å; L179-I184 PolarHBondContact O-N 2.52Å; S182-I184 PolarHBondContact O-N 2.91Å; S182-I184 VanDerWaalsContact O-N 3.12Å; S182-I184 WeakPolarHBondContact OG-CG2 3.26Å
185	L	94.4	Very high	86.5	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	28%	0.281	C	S	.	.	S	Bend	trans	-129.9	151.1	172.4	-58	-179.6	0	0	0	109.7	H118 T121 F123 E176 L179 Y187	H118-L185 HydrophobicContact CB-CD2 3.72Å; T121-L185 HydrophobicContact CG2-CD2 3.8Å; F123-L185 HydrophobicContact CE2-CD2 4.14Å; F123-L185 HydrophobicContact CZ-CD2 3.57Å; E176-L185 HydrophobicContact CG-CD1 4.2Å; L179-L185 HydrophobicContact CB-CD1 3.48Å; L179-L185 VanDerWaalsContact CB-CD1 3.48Å; L179-L185 HydrophobicContact CB-CG 3.8Å; L179-L185 HydrophobicContact CD1-CD1 3.79Å; L179-L185 HydrophobicContact CD1-CG 4.47Å; L179-L185 HydrophobicContact CG-CD1 4.29Å; L185-Y187 VanDerWaalsContact C-N 3.33Å; L185-Y187 PolarHBondContact O-N 3.34Å; L185-Y187 VanDerWaalsContact O-N 3.1Å
186	N	91.1	Very high	85.1	Confident	96 Å²	96	52.7 Å²	52.7	51%	0.513	29%	0.29	S	S	.	.			trans	-81.5	86.4	169.2	-63.3	-7	0	0	0	108.2	K91 E120	K91-N186 PolarHBondContact NZ-OD1 2.72Å; E120-N186 HydrophobicContact CG-CB 4.38Å; E120-N186 WeakPolarHBondContact OE1-CB 3.32Å; E120-N186 PolarHBondContact OE1-N 3.47Å
187	Y	88.3	Confident	83.3	Confident	56 Å²	56	59 Å²	59	22%	0.22	32%	0.319	C	S	.	.			trans	-82.5	128.4	179.8	-175	-112.4	0	0	0	110.8	E176 W177 L185 G189 L191	E176-Y187 HydrophobicContact CG-CD2 4.01Å; E176-Y187 HydrophobicContact CG-CE2 4.28Å; W177-Y187 HydrophobicContact CB-CE2 4.36Å; W177-Y187 AromaticContact CD1-CE1 3.77Å; W177-Y187 AromaticContact CD1-CZ 3.92Å; L185-Y187 VanDerWaalsContact C-N 3.33Å; L185-Y187 PolarHBondContact O-N 3.34Å; L185-Y187 VanDerWaalsContact O-N 3.1Å; Y187-G189 WeakPolarHBondContact CD1-O 3.24Å; Y187-G189 WeakPolarHBondContact CE1-O 3.48Å; Y187-L191 HydrophobicContact CD1-CD1 3.75Å; Y187-L191 HydrophobicContact CD1-CG 4.09Å
188	S	80.4	Confident	81	Confident	120 Å²	120	64.9 Å²	64.9	84%	0.839	35%	0.353	S	S	*	.			trans	-93.3	-5.1	-178.7	61.4	0	0	0	0	114.2
189	G	77.8	Confident	79	Confident	31 Å²	31	69.5 Å²	69.5	32%	0.32	38%	0.376	S	S	.	.	S	Bend	trans	-92	-176.1	179.9	0	0	0	0	0	113.4	Y187 L191	Y187-G189 WeakPolarHBondContact CD1-O 3.24Å; Y187-G189 WeakPolarHBondContact CE1-O 3.48Å; G189-L191 PolarHBondContact O-N 3.3Å
190	N	77.9	Confident	76.6	Confident	84 Å²	84	78.8 Å²	78.8	45%	0.449	42%	0.417	S	S	.	.			trans	-79.4	116.7	177	-171.2	-10.2	0	0	0	110.9	W177 M192	W177-N190 PolarHBondContact NE1-O 2.94Å; N190-M192 VanDerWaalsContact C-N 3.26Å; N190-M192 PolarHBondContact O-N 3.22Å; N190-M192 WeakPolarHBondContact OD1-CB 3.24Å; N190-M192 PolarHBondContact OD1-N 3.22Å
191	L	79.3	Confident	74.3	Confident	76 Å²	76	88.1 Å²	88.1	40%	0.398	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.3	178.6	-75.7	82.1	0	0	0	113	W177 Y187 G189	W177-L191 WeakPolarHBondContact CZ2-O 3.37Å; W177-L191 PolarHBondContact NE1-O 3.37Å; Y187-L191 HydrophobicContact CD1-CD1 3.75Å; Y187-L191 HydrophobicContact CD1-CG 4.09Å; G189-L191 PolarHBondContact O-N 3.3Å
192	M	73.6	Confident	71.5	Confident	165 Å²	165	95.9 Å²	95.9	81%	0.813	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-19.1	-177.9	-64.5	-63.2	168.3	0	0	113.3	N190 P194	N190-M192 VanDerWaalsContact C-N 3.26Å; N190-M192 PolarHBondContact O-N 3.22Å; N190-M192 WeakPolarHBondContact OD1-CB 3.24Å; N190-M192 PolarHBondContact OD1-N 3.22Å; M192-P194 WeakPolarHBondContact O-CD 3.34Å
193	E	74.3	Confident	69.1	Low	131 Å²	131	97.9 Å²	97.9	61%	0.612	51%	0.508	S	S	*	.	S	Bend	trans	-113.3	97.9	-178.4	-71.6	179.6	-179.9	0	0	109.8
194	P	73.9	Confident	66.4	Low	27 Å²	27	99.8 Å²	99.8	18%	0.175	52%	0.523	C	S	.	.			trans	-62.6	135.5	176.4	21.9	-29.8	0	0	0	110.4	W177 M192 F196 Q197	W177-P194 HydrophobicContact CD2-CB 4.3Å; W177-P194 HydrophobicContact CE3-CB 4.26Å; W177-P194 HydrophobicContact CH2-CB 3.66Å; W177-P194 HydrophobicContact CH2-CG 4.39Å; W177-P194 HydrophobicContact CZ2-CB 3.65Å; W177-P194 HydrophobicContact CZ2-CG 4.3Å; W177-P194 HydrophobicContact CZ3-CB 3.96Å; M192-P194 WeakPolarHBondContact O-CD 3.34Å; P194-F196 HydrophobicContact CB-CD2 4.12Å; P194-F196 PolarHBondContact O-N 2.62Å; P194-Q197 HydrophobicContact CG-CG 3.96Å; P194-Q197 PolarHBondContact O-N 2.88Å
195	P	70.1	Confident	63.5	Low	46 Å²	46	107.1 Å²	107.1	30%	0.299	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-62.1	-13	-179	25.1	-34.5	0	0	0	113.5	W177	W177-P195 HydrophobicContact CB-CG 4Å; W177-P195 VanDerWaalsContact CG-CD 3.48Å; W177-P195 HydrophobicContact CG-CG 4.27Å
196	F	65	Low	60.8	Low	40 Å²	40	115.7 Å²	115.7	18%	0.175	60%	0.599	C	S	.	*	G	3₁₀ helix	trans	-77.5	-18.8	179.5	-53.6	-83.5	0	0	0	115.3	L164 F170 S174 W177 P194 N198 Q199	L164-F196 HydrophobicContact CB-CZ 4.16Å; L164-F196 HydrophobicContact CD2-CZ 3.94Å; L164-F196 WeakPolarHBondContact O-CE1 3.46Å; F170-F196 HydrophobicContact CB-CE1 4.19Å; S174-F196 WeakPolarHBondContact OG-CD1 3.44Å; S174-F196 WeakPolarHBondContact OG-CE1 3.28Å; S174-F196 WeakPolarHBondContact OG-CZ 3.48Å; W177-F196 HydrophobicContact CE3-CE2 4.37Å; P194-F196 HydrophobicContact CB-CD2 4.12Å; P194-F196 PolarHBondContact O-N 2.62Å; F196-N198 PolarHBondContact O-N 3.19Å; F196-N198 VanDerWaalsContact O-N 3.12Å; F196-Q199 PolarHBondContact O-N 3.04Å
197	Q	56.5	Low	58.3	Low	140 Å²	140	117.6 Å²	117.6	65%	0.654	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-66.1	-18.2	-170.1	-93.1	171.5	-6.3	0	0	114.1	P194	P194-Q197 HydrophobicContact CG-CG 3.96Å; P194-Q197 PolarHBondContact O-N 2.88Å
198	N	45.2	Very low	56	Low	161 Å²	161	123.5 Å²	123.5	86%	0.861	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-91.6	-0	179.6	-73.8	-26.9	0	0	0	115.3	F196	F196-N198 PolarHBondContact O-N 3.19Å; F196-N198 VanDerWaalsContact O-N 3.12Å
199	Q	52.1	Low	54	Low	128 Å²	128	125.9 Å²	125.9	60%	0.598	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-87.3	-1.2	179.6	-69.2	-171.8	-10.9	0	0	114.5	F196 K201	F196-Q199 PolarHBondContact O-N 3.04Å; Q199-K201 PolarHBondContact O-N 2.92Å
200	K	45.5	Very low	52	Low	194 Å²	194	131.4 Å²	131.4	84%	0.843	66%	0.662	S	S	*	*			trans	-91.7	90.4	170.6	-76.7	-173.8	-179	176.3	0	111.2
201	K	44	Very low	50.5	Low	200 Å²	200	137 Å²	137	87%	0.87	68%	0.682	S	S	*	*				163.2	84.7	129	-86.8	177.9	-167.8	-175.3	0	110.2	Q199	Q199-K201 PolarHBondContact O-N 2.92Å
202	F	34.5	Very low	48.6	Very low	218 Å²	218	142.5 Å²	142.5	96%	0.956	70%	0.702	S	S	*	*	S	Bend	trans	-128.6	100.8	152	-134.2	-94.2	0	0	0	108.7
203	G	39.8	Very low	47	Very low	63 Å²	63	140.7 Å²	140.7	65%	0.649	70%	0.701	S	S	*	*			trans	69.2	75.3	153.9	0	0	0	0	0	119.6
204	T	35.9	Very low	45.5	Very low	117 Å²	117	142.1 Å²	142.1	72%	0.718	71%	0.711	S	S	*	*			trans	-91.2	91.3	143.1	54.1	0	0	0	0	108.2	F206	T204-F206 PolarHBondContact O-N 3Å
205	N	33.7	Very low	43.6	Very low	153 Å²	153	152.5 Å²	152.5	82%	0.818	75%	0.747	S	S	*	*			trans	-70.4	87.9	161.9	-75	-26.3	0	0	0	107.6	T207	N205-T207 PolarHBondContact O-N 2.97Å
206	F	38.1	Very low	42.1	Very low	183 Å²	183	154 Å²	154	80%	0.803	77%	0.77	S	S	*	*			trans	-63.4	99.4	160.7	-93.3	-97.2	0	0	0	107.5	T204 K208	T204-F206 PolarHBondContact O-N 3Å; F206-K208 VanDerWaalsContact C-N 3.28Å; F206-K208 PolarHBondContact O-N 3.1Å
207	T	37.8	Very low	40.7	Very low	137 Å²	137	161 Å²	161	84%	0.84	80%	0.801	S	S	*	*			trans	-68.7	96.6	160.6	37.6	0	0	0	0	107.5	N205 L209	N205-T207 PolarHBondContact O-N 2.97Å; T207-L209 PolarHBondContact O-N 3.42Å; T207-L209 VanDerWaalsContact O-N 3.12Å
208	K	40.2	Very low	39.9	Very low	180 Å²	180	162 Å²	162	78%	0.783	80%	0.803	S	S	*	*			trans	-50.4	109.1	173.6	-169	178.7	-176.2	-176.7	0	109.5	F206 E210	F206-K208 VanDerWaalsContact C-N 3.28Å; F206-K208 PolarHBondContact O-N 3.1Å; K208-E210 PolarHBondContact O-N 3.06Å; K208-E210 VanDerWaalsContact O-N 3.11Å
209	L	38.2	Very low	39.4	Very low	169 Å²	169	163.9 Å²	163.9	89%	0.885	80%	0.799	S	S	*	*			trans	-66.8	105.7	168.9	-154.6	82.5	0	0	0	107.7	T207 K211	T207-L209 PolarHBondContact O-N 3.42Å; T207-L209 VanDerWaalsContact O-N 3.12Å; L209-K211 PolarHBondContact O-N 3.19Å
210	E	36.7	Very low	39	Very low	148 Å²	148	164.4 Å²	164.4	69%	0.692	81%	0.806	S	S	*	*			trans	-70.2	113.6	175.3	-71.1	-160.5	147.4	0	0	110.3	K208 K212	K208-E210 PolarHBondContact O-N 3.06Å; K208-E210 VanDerWaalsContact O-N 3.11Å; E210-K212 PolarHBondContact O-N 2.74Å
211	K	45.3	Very low	38.8	Very low	202 Å²	202	160.9 Å²	160.9	88%	0.878	81%	0.806	S	S	*	*			trans	-68.7	115.2	161.8	-76.1	178.2	174.4	176.3	0	108.7	L209	L209-K211 PolarHBondContact O-N 3.19Å
212	K	40.1	Very low	39.1	Very low	190 Å²	190	158.8 Å²	158.8	83%	0.826	80%	0.804	S	S	*	*			trans	-108.2	108.7	160.1	-76.3	-173.5	178.2	177.3	0	110	E210	E210-K212 PolarHBondContact O-N 2.74Å
213	T	40.7	Very low	39.8	Very low	127 Å²	127	154 Å²	154	78%	0.779	80%	0.798	S	S	*	*			trans	-93.7	143.2	160	-39.6	0	0	0	0	107.6
214	I	42.3	Very low	40.5	Very low	161 Å²	161	157.9 Å²	157.9	83%	0.826	80%	0.803	S	S	*	*			trans	146.8	94.9	158.8	-75.7	153.9	0	0	0	106.8
215	R	34.6	Very low	41.1	Very low	246 Å²	246	159.7 Å²	159.7	93%	0.928	81%	0.809	S	S	*	*				70.4	89.5	83.4	-152.6	-180	-168.9	-173.2	2.8	114.5
216	G	37.1	Very low	41.8	Very low	76 Å²	76	163.7 Å²	163.7	78%	0.784	83%	0.83	S	S	*	*			trans	94.5	112.8	133.6	0	0	0	0	0	119.9
217	K	36.8	Very low	42	Very low	189 Å²	189	162.8 Å²	162.8	82%	0.822	83%	0.832	S	S	*	*				-169.8	133.5	120.2	-128.4	174.1	178.4	179.6	0	111.6
218	K	39.6	Very low	42.2	Very low	161 Å²	161	164.1 Å²	164.1	70%	0.7	83%	0.831	S	S	*	*			trans	-75.3	134.9	177.6	178.2	-172	-171.4	-176.8	0	110.8
219	Y	35.3	Very low	42.3	Very low	200 Å²	200	163.2 Å²	163.2	78%	0.784	83%	0.834	S	S	*	*			trans	-157.4	129.3	140.6	-69.7	-66.2	0	0	0	110
220	D	43.7	Very low	42.5	Very low	139 Å²	139	162.9 Å²	162.9	74%	0.743	83%	0.831	S	S	*	*			trans	-63.8	152.1	175.6	-54.1	-68.5	0	0	0	112.5
221	S	41	Very low	42.9	Very low	120 Å²	120	163.8 Å²	163.8	84%	0.839	84%	0.84	S	S	*	*			trans	-174.5	120.5	130.5	-167.3	0	0	0	0	110.5
222	D	49.1	Very low	42.7	Very low	156 Å²	156	161.3 Å²	161.3	83%	0.834	84%	0.837	S	S	*	*			trans	-57	146.9	164	-61.9	-49.8	0	0	0	111.9
223	S	49.4	Very low	42.9	Very low	118 Å²	118	159.2 Å²	159.2	83%	0.825	84%	0.838	S	S	*	*			trans	-166	121.1	136.6	-161.4	0	0	0	0	110.4
224	D	54.5	Low	43.1	Very low	143 Å²	143	161.7 Å²	161.7	77%	0.765	84%	0.842	S	S	*	*			trans	-60.9	152	162.4	-64.1	-55.2	0	0	0	111.5
225	D	50	Low	43.2	Very low	155 Å²	155	161.8 Å²	161.8	83%	0.829	84%	0.844	S	S	*	*				175.5	126.9	120.8	-92.3	-26.5	0	0	0	112
226	D	47.1	Very low	44	Very low	238 Å²	238	154.1 Å²	154.1	100%	1.273	84%	0.836	S	S	*	*			trans	28	0	160.7	-77.5	-28.4	0	0	0	122.4

Retrieved 226 of 226 residues in 90.2 ms (Link to these results)

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