A0A096N6H8_PAPAN Loading...

Adenylyltransferase and sulfurtransferase MOCS3

Plays a central role in 2-thiolation of mcm(5)S(2)U at tRNA wobble positions of cytosolic tRNA(Lys), tRNA(Glu) and tRNA(Gln). Also essential during biosynthesis of the molybdenum cofactor. Acts by mediating the C-terminal thiocarboxylation of sulfur carriers URM1 and MOCS2A. Its N-terminus first activates URM1 and MOCS2A as acyl-adenylates (-COAMP), then the persulfide sulfur on the catalytic cysteine is transferred to URM1 and MOCS2A to form thiocarboxylation (-COSH) of their C-terminus. The reaction probably involves hydrogen sulfide that is generated from the persulfide intermediate and that acts as nucleophile towards URM1 and MOCS2A. Subsequently, a transient disulfide bond is formed. Does not use thiosulfate as sulfur donor; NFS1 probably acting as a sulfur donor for thiocarboxylation reactions.

AlphaFold DB , UniProt , Accession A0A096N6H8, Species PAPAN (Papio anubis, Olive baboon), Gene MOCS3, Length 460 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	55.8	Low	78.8	Confident	245 Å²	245	117.7 Å²	117.7	100%	1.207	61%	0.609	S	S	*	*				0	116.6	0	-65.1	-179.5	-157.3	0	0	105.6
2	A	55.4	Low	79.7	Confident	67 Å²	67	113 Å²	113	55%	0.554	60%	0.6	S	S	*	*			trans	-55.9	140.1	176.2	0	0	0	0	0	108.9	E6 V7	A2-E6 WeakPolarHBondContact CA-OE2 3.38Å; A2-V7 HydrophobicContact CB-CG2 4.31Å
3	S	74.2	Confident	80.6	Confident	52 Å²	52	111.8 Å²	111.8	36%	0.364	59%	0.589	S	S	.	*			trans	-64.2	147.9	-178.4	86.9	0	0	0	0	108.9	E5 E6 V7	S3-E5 PolarHBondContact O-N 3Å; S3-E5 VanDerWaalsContact O-N 3.08Å; S3-E5 PolarHBondContact OG-N 2.97Å; S3-E6 PolarHBondContact N-OE2 2.91Å; S3-E6 WeakPolarHBondContact O-CB 3.44Å; S3-E6 PolarHBondContact O-N 3.21Å; S3-E6 PolarHBondContact OG-N 3.15Å; S3-E6 VanDerWaalsContact OG-N 3.15Å; S3-V7 PolarHBondContact O-N 3.49Å
4	R	79	Confident	81.3	Confident	219 Å²	219	109.6 Å²	109.6	83%	0.826	58%	0.582	S	S	*	*	H	α-helix	trans	-57.4	-26.1	178.5	-170.4	176.5	176.6	-177.6	-1.2	111.9	L8	R4-L8 WeakPolarHBondContact O-CG 3.28Å; R4-L8 PolarHBondContact O-N 3.48Å
5	E	80.1	Confident	81.9	Confident	157 Å²	157	106.3 Å²	106.3	73%	0.734	57%	0.571	S	S	*	*	H	α-helix	trans	-71.5	-40.2	173.1	-72.9	178.1	148.8	0	0	112.7	S3 V7 L8 A9	S3-E5 PolarHBondContact O-N 3Å; S3-E5 VanDerWaalsContact O-N 3.08Å; S3-E5 PolarHBondContact OG-N 2.97Å; E5-V7 VanDerWaalsContact C-N 3.33Å; E5-V7 PolarHBondContact O-N 3.08Å; E5-L8 PolarHBondContact O-N 3.42Å; E5-A9 WeakPolarHBondContact O-CB 3.41Å; E5-A9 PolarHBondContact O-N 3.45Å
6	E	85.3	Confident	82.6	Confident	109 Å²	109	107.9 Å²	107.9	51%	0.509	57%	0.574	S	S	.	*	H	α-helix	trans	-62.5	-40.1	175.2	-78.7	175.1	146.4	0	0	111.8	A2 S3 A9 L10	A2-E6 WeakPolarHBondContact CA-OE2 3.38Å; S3-E6 PolarHBondContact N-OE2 2.91Å; S3-E6 WeakPolarHBondContact O-CB 3.44Å; S3-E6 PolarHBondContact O-N 3.21Å; S3-E6 PolarHBondContact OG-N 3.15Å; S3-E6 VanDerWaalsContact OG-N 3.15Å; E6-A9 PolarHBondContact O-N 2.95Å; E6-L10 WeakPolarHBondContact O-CB 3.31Å; E6-L10 VanDerWaalsContact O-CG 3.31Å; E6-L10 WeakPolarHBondContact O-CG 3.46Å; E6-L10 PolarHBondContact O-N 3.32Å
7	V	84.8	Confident	83.1	Confident	66 Å²	66	110.1 Å²	110.1	40%	0.4	57%	0.573	S	S	.	*	H	α-helix	trans	-65.3	-42.4	177.8	177.9	0	0	0	0	111.1	A2 S3 E5 L10 Q11	A2-V7 HydrophobicContact CB-CG2 4.31Å; S3-V7 PolarHBondContact O-N 3.49Å; E5-V7 VanDerWaalsContact C-N 3.33Å; E5-V7 PolarHBondContact O-N 3.08Å; V7-L10 PolarHBondContact O-N 3.27Å; V7-Q11 WeakPolarHBondContact O-CB 3.33Å; V7-Q11 VanDerWaalsContact O-CG 3.28Å; V7-Q11 WeakPolarHBondContact O-CG 3.29Å; V7-Q11 PolarHBondContact O-N 2.91Å
8	L	87.1	Confident	83.5	Confident	99 Å²	99	110.4 Å²	110.4	52%	0.518	57%	0.571	S	S	.	*	H	α-helix	trans	-67.7	-38.4	177.8	-73.4	168.6	0	0	0	112.1	R4 E5 Q11 A12	R4-L8 WeakPolarHBondContact O-CG 3.28Å; R4-L8 PolarHBondContact O-N 3.48Å; E5-L8 PolarHBondContact O-N 3.42Å; L8-Q11 PolarHBondContact O-N 3.3Å; L8-A12 PolarHBondContact O-N 3.5Å
9	A	89.9	Confident	84	Confident	60 Å²	60	111.8 Å²	111.8	50%	0.496	57%	0.574	S	S	.	*	H	α-helix	trans	-64	-45	175.7	0	0	0	0	0	111.7	E5 E6 Q11 A12 E13	E5-A9 WeakPolarHBondContact O-CB 3.41Å; E5-A9 PolarHBondContact O-N 3.45Å; E6-A9 PolarHBondContact O-N 2.95Å; A9-Q11 PolarHBondContact O-N 2.98Å; A9-A12 PolarHBondContact O-N 3.03Å; A9-E13 PolarHBondContact O-N 3.43Å
10	L	87.6	Confident	84.4	Confident	102 Å²	102	111 Å²	111	53%	0.534	57%	0.568	S	S	.	*	H	α-helix	trans	-65.6	-37.7	176.7	-72.9	168.9	0	0	0	112.2	E6 V7 E13 V14	E6-L10 WeakPolarHBondContact O-CB 3.31Å; E6-L10 VanDerWaalsContact O-CG 3.31Å; E6-L10 WeakPolarHBondContact O-CG 3.46Å; E6-L10 PolarHBondContact O-N 3.32Å; V7-L10 PolarHBondContact O-N 3.27Å; L10-E13 PolarHBondContact O-N 2.88Å; L10-V14 VanDerWaalsContact O-CG2 3.29Å; L10-V14 WeakPolarHBondContact O-CG2 3.44Å; L10-V14 PolarHBondContact O-N 2.98Å
11	Q	87.9	Confident	84.6	Confident	119 Å²	119	110 Å²	110	56%	0.556	56%	0.563	S	S	*	*	H	α-helix	trans	-64.1	-40	174.8	-77.4	176	-22.4	0	0	112.2	V7 L8 A9 V14 S15	V7-Q11 WeakPolarHBondContact O-CB 3.33Å; V7-Q11 VanDerWaalsContact O-CG 3.28Å; V7-Q11 WeakPolarHBondContact O-CG 3.29Å; V7-Q11 PolarHBondContact O-N 2.91Å; L8-Q11 PolarHBondContact O-N 3.3Å; A9-Q11 PolarHBondContact O-N 2.98Å; Q11-V14 PolarHBondContact O-N 3.49Å; Q11-S15 PolarHBondContact O-N 3.29Å
12	A	89.4	Confident	86.2	Confident	61 Å²	61	102.8 Å²	102.8	50%	0.504	53%	0.53	S	S	.	.	H	α-helix	trans	-65	-40.9	174.6	0	0	0	0	0	111.7	L8 A9 S15 Q16	L8-A12 PolarHBondContact O-N 3.5Å; A9-A12 PolarHBondContact O-N 3.03Å; A12-S15 PolarHBondContact O-N 2.69Å; A12-Q16 WeakPolarHBondContact O-CB 3.46Å; A12-Q16 PolarHBondContact O-N 2.59Å
13	E	91.9	Very high	87.9	Confident	97 Å²	97	102 Å²	102	45%	0.453	52%	0.52	S	S	.	.	H	α-helix	trans	-65.2	-41.1	176.8	-169.5	173.4	-175	0	0	112.1	A9 L10 Q16 R17	A9-E13 PolarHBondContact O-N 3.43Å; L10-E13 PolarHBondContact O-N 2.88Å; E13-Q16 PolarHBondContact O-N 3.49Å; E13-R17 VanDerWaalsContact O-CG 3.3Å; E13-R17 WeakPolarHBondContact O-CG 3.49Å; E13-R17 PolarHBondContact O-N 3.05Å
14	V	90.4	Very high	88.5	Confident	82 Å²	82	104.3 Å²	104.3	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-60.5	-48.3	174.3	169.1	0	0	0	0	110.8	L10 Q11 Q16 R17 E18	L10-V14 VanDerWaalsContact O-CG2 3.29Å; L10-V14 WeakPolarHBondContact O-CG2 3.44Å; L10-V14 PolarHBondContact O-N 2.98Å; Q11-V14 PolarHBondContact O-N 3.49Å; V14-Q16 VanDerWaalsContact C-N 3.29Å; V14-Q16 PolarHBondContact O-N 2.94Å; V14-R17 PolarHBondContact O-N 3.47Å; V14-E18 HydrophobicContact CG1-CG 4.44Å; V14-E18 WeakPolarHBondContact O-CG 3.46Å; V14-E18 PolarHBondContact O-N 3.4Å
15	S	89.8	Confident	88.8	Confident	60 Å²	60	99.6 Å²	99.6	42%	0.42	51%	0.513	S	S	.	.	H	α-helix	trans	-59.1	-41.3	178.6	-168.5	0	0	0	0	111.9	Q11 A12 E18 E19	Q11-S15 PolarHBondContact O-N 3.29Å; A12-S15 PolarHBondContact O-N 2.69Å; S15-E18 PolarHBondContact O-N 3.49Å; S15-E19 PolarHBondContact O-N 3.01Å
16	Q	93.5	Very high	89.1	Confident	131 Å²	131	99.1 Å²	99.1	61%	0.612	51%	0.511	S	S	*	.	H	α-helix	trans	-65.1	-41.3	177.9	-171.5	178.1	12.5	0	0	111.9	A12 E13 V14 E19 E20	A12-Q16 WeakPolarHBondContact O-CB 3.46Å; A12-Q16 PolarHBondContact O-N 2.59Å; E13-Q16 PolarHBondContact O-N 3.49Å; V14-Q16 VanDerWaalsContact C-N 3.29Å; V14-Q16 PolarHBondContact O-N 2.94Å; Q16-E19 PolarHBondContact O-N 3.36Å; Q16-E20 WeakPolarHBondContact O-CB 3.41Å; Q16-E20 PolarHBondContact O-N 3.17Å; Q16-E20 VanDerWaalsContact O-N 3.11Å
17	R	89.9	Confident	89	Confident	146 Å²	146	100 Å²	100	55%	0.551	51%	0.513	S	S	*	.	H	α-helix	trans	-68.4	-34	177.5	-68.7	-64.7	-177.1	-164.1	0.3	112.6	E13 V14 E20 L21	E13-R17 VanDerWaalsContact O-CG 3.3Å; E13-R17 WeakPolarHBondContact O-CG 3.49Å; E13-R17 PolarHBondContact O-N 3.05Å; V14-R17 PolarHBondContact O-N 3.47Å; R17-E20 IonicContact CZ-OE2 3.91Å; R17-E20 IonicContact NH1-OE2 2.65Å; R17-E20 PolarHBondContact NH1-OE2 3.04Å; R17-E20 PolarHBondContact O-N 3.01Å; R17-L21 VanDerWaalsContact O-CB 3.31Å; R17-L21 WeakPolarHBondContact O-CB 3.45Å; R17-L21 PolarHBondContact O-N 3.34Å
18	E	90.9	Very high	88.8	Confident	116 Å²	116	101.9 Å²	101.9	54%	0.542	52%	0.521	S	S	.	.	H	α-helix	trans	-66.3	-40.9	175.6	-74.5	178.8	164.7	0	0	112.2	V14 S15 L21 N22	V14-E18 HydrophobicContact CG1-CG 4.44Å; V14-E18 WeakPolarHBondContact O-CG 3.46Å; V14-E18 PolarHBondContact O-N 3.4Å; S15-E18 PolarHBondContact O-N 3.49Å; E18-L21 PolarHBondContact O-N 2.95Å; E18-N22 WeakPolarHBondContact O-CB 3.3Å; E18-N22 PolarHBondContact O-N 3.33Å
19	E	92.8	Very high	88.3	Confident	136 Å²	136	99.5 Å²	99.5	64%	0.636	52%	0.515	S	S	*	.	H	α-helix	trans	-63	-44	173.2	-73.9	-178.9	176.1	0	0	111.9	S15 Q16 L21 N22 S23	S15-E19 PolarHBondContact O-N 3.01Å; Q16-E19 PolarHBondContact O-N 3.36Å; E19-L21 PolarHBondContact O-N 3.39Å; E19-N22 PolarHBondContact O-N 2.75Å; E19-S23 PolarHBondContact O-N 2.7Å
20	E	93.4	Very high	87.6	Confident	95 Å²	95	99.9 Å²	99.9	44%	0.444	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-41.7	178.3	-156.6	173.5	-147.9	0	0	111.4	Q16 R17 S23 L24	Q16-E20 WeakPolarHBondContact O-CB 3.41Å; Q16-E20 PolarHBondContact O-N 3.17Å; Q16-E20 VanDerWaalsContact O-N 3.11Å; R17-E20 IonicContact CZ-OE2 3.91Å; R17-E20 IonicContact NH1-OE2 2.65Å; R17-E20 PolarHBondContact NH1-OE2 3.04Å; R17-E20 PolarHBondContact O-N 3.01Å; E20-S23 PolarHBondContact O-N 3.34Å; E20-L24 WeakPolarHBondContact O-CG 3.41Å; E20-L24 PolarHBondContact O-N 3.35Å
21	L	87.9	Confident	86.9	Confident	90 Å²	90	97.3 Å²	97.3	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-42.5	175	-175.2	68.3	0	0	0	111.9	R17 E18 E19 L24 K25	R17-L21 VanDerWaalsContact O-CB 3.31Å; R17-L21 WeakPolarHBondContact O-CB 3.45Å; R17-L21 PolarHBondContact O-N 3.34Å; E18-L21 PolarHBondContact O-N 2.95Å; E19-L21 PolarHBondContact O-N 3.39Å; L21-L24 PolarHBondContact O-N 3.47Å; L21-K25 HydrophobicContact CG-CD 4.39Å; L21-K25 WeakPolarHBondContact O-CB 3.37Å; L21-K25 WeakPolarHBondContact O-CG 3.41Å; L21-K25 PolarHBondContact O-N 2.67Å
22	N	89.2	Confident	86	Confident	95 Å²	95	95.6 Å²	95.6	51%	0.508	50%	0.502	S	S	.	.	H	α-helix	trans	-65.1	-40.2	176.7	-81.5	-20.1	0	0	0	111.9	E18 E19 K25 Q26	E18-N22 WeakPolarHBondContact O-CB 3.3Å; E18-N22 PolarHBondContact O-N 3.33Å; E19-N22 PolarHBondContact O-N 2.75Å; N22-K25 PolarHBondContact O-N 3.36Å; N22-Q26 PolarHBondContact O-N 3.05Å
23	S	91.5	Very high	84.8	Confident	49 Å²	49	98 Å²	98	34%	0.343	51%	0.506	S	S	.	.	H	α-helix	trans	-61.6	-45.2	173.9	-174.1	0	0	0	0	111.9	E19 E20 Q26 K27	E19-S23 PolarHBondContact O-N 2.7Å; E20-S23 PolarHBondContact O-N 3.34Å; S23-Q26 PolarHBondContact O-N 3.12Å; S23-K27 WeakPolarHBondContact O-CG 3.4Å; S23-K27 PolarHBondContact O-N 3.1Å
24	L	86.3	Confident	83	Confident	102 Å²	102	96.3 Å²	96.3	53%	0.534	51%	0.508	S	S	.	.	H	α-helix	trans	-65.8	-38.8	177.6	-74.2	169.1	0	0	0	112.2	E20 L21 K27 L28	E20-L24 WeakPolarHBondContact O-CG 3.41Å; E20-L24 PolarHBondContact O-N 3.35Å; L21-L24 PolarHBondContact O-N 3.47Å; L24-K27 PolarHBondContact O-N 3.2Å; L24-L28 VanDerWaalsContact O-CB 3.28Å; L24-L28 WeakPolarHBondContact O-CB 3.35Å; L24-L28 PolarHBondContact O-N 3.42Å
25	K	86.2	Confident	81	Confident	120 Å²	120	100.2 Å²	100.2	52%	0.522	52%	0.521	S	S	.	.	H	α-helix	trans	-62.1	-42.1	173.6	-77.8	175.3	178.1	175.5	0	112.1	L21 N22 L28 A29	L21-K25 HydrophobicContact CG-CD 4.39Å; L21-K25 WeakPolarHBondContact O-CB 3.37Å; L21-K25 WeakPolarHBondContact O-CG 3.41Å; L21-K25 PolarHBondContact O-N 2.67Å; N22-K25 PolarHBondContact O-N 3.36Å; K25-L28 PolarHBondContact O-N 3.05Å; K25-A29 WeakPolarHBondContact O-CB 3.47Å; K25-A29 PolarHBondContact O-N 3.44Å
26	Q	84.8	Confident	79	Confident	147 Å²	147	104.3 Å²	104.3	69%	0.687	53%	0.533	S	S	*	.	H	α-helix	trans	-65.1	-43.6	174.9	-81.1	-179.8	-17.8	0	0	112.1	N22 S23 A29 S30	N22-Q26 PolarHBondContact O-N 3.05Å; S23-Q26 PolarHBondContact O-N 3.12Å; Q26-A29 PolarHBondContact O-N 3.5Å; Q26-S30 PolarHBondContact O-N 2.83Å; Q26-S30 PolarHBondContact O-OG 3.16Å
27	K	83.7	Confident	76.4	Confident	127 Å²	127	105.1 Å²	105.1	55%	0.552	54%	0.537	S	S	*	.	H	α-helix	trans	-62.1	-44.7	175.7	-74.2	174.2	-178	171.6	0	111.6	S23 L24 S30 A31	S23-K27 WeakPolarHBondContact O-CG 3.4Å; S23-K27 PolarHBondContact O-N 3.1Å; L24-K27 PolarHBondContact O-N 3.2Å; K27-S30 WeakPolarHBondContact CA-OG 3.42Å; K27-S30 PolarHBondContact O-N 3.25Å; K27-S30 PolarHBondContact O-OG 2.72Å; K27-A31 WeakPolarHBondContact O-CB 3.31Å; K27-A31 PolarHBondContact O-N 3.07Å
28	L	80.1	Confident	74.2	Confident	106 Å²	106	103.9 Å²	103.9	56%	0.555	55%	0.548	S	S	*	.	H	α-helix	trans	-61.6	-44.8	175.6	-178	64.1	0	0	0	111.3	L24 K25 S30 A31 L32	L24-L28 VanDerWaalsContact O-CB 3.28Å; L24-L28 WeakPolarHBondContact O-CB 3.35Å; L24-L28 PolarHBondContact O-N 3.42Å; K25-L28 PolarHBondContact O-N 3.05Å; L28-S30 VanDerWaalsContact C-N 3.33Å; L28-S30 PolarHBondContact O-N 3.5Å; L28-A31 PolarHBondContact O-N 2.94Å; L28-L32 HydrophobicContact CD1-CD1 4.2Å; L28-L32 HydrophobicContact CD1-CG 4.24Å; L28-L32 HydrophobicContact CG-CD1 3.94Å; L28-L32 HydrophobicContact CG-CG 4.41Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 3.39Å
29	A	77.4	Confident	72	Confident	48 Å²	48	109 Å²	109	40%	0.397	56%	0.562	S	S	.	*	H	α-helix	trans	-59.8	-43.3	175.2	0	0	0	0	0	111.7	K25 Q26 L33	K25-A29 WeakPolarHBondContact O-CB 3.47Å; K25-A29 PolarHBondContact O-N 3.44Å; Q26-A29 PolarHBondContact O-N 3.5Å; A29-L33 WeakPolarHBondContact O-CB 3.46Å; A29-L33 WeakPolarHBondContact O-CD1 3.4Å; A29-L33 VanDerWaalsContact O-CG 3.24Å; A29-L33 WeakPolarHBondContact O-CG 3.5Å; A29-L33 PolarHBondContact O-N 3.23Å
30	S	74.6	Confident	69.7	Low	68 Å²	68	108.5 Å²	108.5	48%	0.476	57%	0.571	S	S	.	*	H	α-helix	trans	-66.9	-37.5	176.6	72	0	0	0	0	113.2	Q26 K27 L28 L33 A34	Q26-S30 PolarHBondContact O-N 2.83Å; Q26-S30 PolarHBondContact O-OG 3.16Å; K27-S30 WeakPolarHBondContact CA-OG 3.42Å; K27-S30 PolarHBondContact O-N 3.25Å; K27-S30 PolarHBondContact O-OG 2.72Å; L28-S30 VanDerWaalsContact C-N 3.33Å; L28-S30 PolarHBondContact O-N 3.5Å; S30-L33 PolarHBondContact O-N 2.9Å; S30-A34 WeakPolarHBondContact O-CB 3.5Å; S30-A34 PolarHBondContact O-N 3.09Å
31	A	72.7	Confident	67.9	Low	48 Å²	48	110.6 Å²	110.6	40%	0.397	58%	0.581	S	S	.	*	H	α-helix	trans	-71.2	-39	178.4	0	0	0	0	0	111.6	K27 L28 L33 A34 E35	K27-A31 WeakPolarHBondContact O-CB 3.31Å; K27-A31 PolarHBondContact O-N 3.07Å; L28-A31 PolarHBondContact O-N 2.94Å; A31-L33 VanDerWaalsContact C-N 3.35Å; A31-A34 CarbonylContact O-C 3.56Å; A31-A34 PolarHBondContact O-N 2.6Å; A31-E35 PolarHBondContact O-N 2.91Å
32	L	68.7	Low	66.4	Low	84 Å²	84	117.6 Å²	117.6	44%	0.44	60%	0.601	S	S	.	*	H	α-helix	trans	-65.4	-38	173.4	-71.9	169.6	0	0	0	111.7	L28 Q36	L28-L32 HydrophobicContact CD1-CD1 4.2Å; L28-L32 HydrophobicContact CD1-CG 4.24Å; L28-L32 HydrophobicContact CG-CD1 3.94Å; L28-L32 HydrophobicContact CG-CG 4.41Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 VanDerWaalsContact O-CG 3.25Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 3.39Å; L32-Q36 WeakPolarHBondContact O-CB 3.44Å; L32-Q36 VanDerWaalsContact O-CG 3.23Å; L32-Q36 WeakPolarHBondContact O-CG 3.49Å; L32-Q36 PolarHBondContact O-N 2.79Å
33	L	65.9	Low	65.4	Low	112 Å²	112	114.3 Å²	114.3	59%	0.586	58%	0.583	S	S	*	*	H	α-helix	trans	-64.9	-39.4	171.9	-73.7	165.1	0	0	0	111.6	A29 S30 A31 Q36 E37	A29-L33 WeakPolarHBondContact O-CB 3.46Å; A29-L33 WeakPolarHBondContact O-CD1 3.4Å; A29-L33 VanDerWaalsContact O-CG 3.24Å; A29-L33 WeakPolarHBondContact O-CG 3.5Å; A29-L33 PolarHBondContact O-N 3.23Å; S30-L33 PolarHBondContact O-N 2.9Å; A31-L33 VanDerWaalsContact C-N 3.35Å; L33-Q36 PolarHBondContact O-N 2.85Å; L33-E37 PolarHBondContact O-N 3.46Å
34	A	52.8	Low	64.4	Low	61 Å²	61	115.9 Å²	115.9	50%	0.504	59%	0.59	S	S	.	*	H	α-helix	trans	-73.2	-29.4	177.7	0	0	0	0	0	113.7	S30 A31 Q36	S30-A34 WeakPolarHBondContact O-CB 3.5Å; S30-A34 PolarHBondContact O-N 3.09Å; A31-A34 CarbonylContact O-C 3.56Å; A31-A34 PolarHBondContact O-N 2.6Å; A34-Q36 VanDerWaalsContact C-N 3.33Å
35	E	49.7	Very low	63.8	Low	163 Å²	163	116.5 Å²	116.5	76%	0.762	60%	0.601	S	S	*	*	H	α-helix	trans	-73.9	-25.6	169.2	-79.7	-171.9	164.2	0	0	112.4	A31	A31-E35 PolarHBondContact O-N 2.91Å
36	Q	46.7	Very low	63.5	Low	146 Å²	146	112.2 Å²	112.2	68%	0.682	59%	0.585	S	S	*	*	H	α-helix	trans	-81.3	-16.6	173.4	-76.5	176.1	-6.4	0	0	113.5	L32 L33 A34 P38	L32-Q36 WeakPolarHBondContact O-CB 3.44Å; L32-Q36 VanDerWaalsContact O-CG 3.23Å; L32-Q36 WeakPolarHBondContact O-CG 3.49Å; L32-Q36 PolarHBondContact O-N 2.79Å; L33-Q36 PolarHBondContact O-N 2.85Å; A34-Q36 VanDerWaalsContact C-N 3.33Å; Q36-P38 WeakPolarHBondContact O-CD 3.46Å
37	E	38.9	Very low	63.4	Low	148 Å²	148	109.3 Å²	109.3	69%	0.692	58%	0.581	S	S	*	*	S	Bend	trans	-66.6	113	168.8	-79	-168.3	167.6	0	0	108.7	L33 R39	L33-E37 PolarHBondContact O-N 3.46Å; E37-R39 PolarHBondContact O-N 3.12Å
38	P	44.7	Very low	63.4	Low	120 Å²	120	109 Å²	109	78%	0.779	59%	0.591	S	S	*	*			trans	-63.9	120	-179.1	25.8	-31	0	0	0	107.8	Q36	Q36-P38 WeakPolarHBondContact O-CD 3.46Å
39	R	44.3	Very low	63.9	Low	223 Å²	223	105.9 Å²	105.9	84%	0.842	58%	0.575	S	S	*	*			trans	-49.5	133	159.4	-81.8	-178.3	176.8	178.1	0.8	106.3	E37 E41	E37-R39 PolarHBondContact O-N 3.12Å; R39-E41 PolarHBondContact O-N 3.22Å
40	P	44.9	Very low	64.4	Low	126 Å²	126	108.2 Å²	108.2	82%	0.818	59%	0.586	S	S	*	*			trans	-64.5	90.5	177.3	23.8	-30.6	0	0	0	108	R42	P40-R42 PolarHBondContact O-N 3.15Å; P40-R42 VanDerWaalsContact O-N 3.16Å
41	E	53.9	Low	65.1	Low	139 Å²	139	111.2 Å²	111.2	65%	0.65	60%	0.604	S	S	*	*			trans	-62.3	118.4	172.3	-80.4	-172.2	156.6	0	0	106.3	R39 L43	R39-E41 PolarHBondContact O-N 3.22Å; E41-L43 PolarHBondContact O-N 2.95Å
42	R	57.7	Low	66.1	Low	238 Å²	238	112.2 Å²	112.2	90%	0.898	60%	0.599	S	S	*	*			trans	-62.3	114.1	178	-75.1	-179.6	-177.2	176.2	0.7	107.5	P40 V44	P40-R42 PolarHBondContact O-N 3.15Å; P40-R42 VanDerWaalsContact O-N 3.16Å; R42-V44 PolarHBondContact O-N 3.35Å
43	L	68.4	Low	67.2	Low	25 Å²	25	112.5 Å²	112.5	13%	0.131	61%	0.613	C	S	.	*	P	Polyproline II helix	trans	-46.7	127.7	170	-68.2	172.8	0	0	0	109.1	E41 P45 T165 D168 L169	E41-L43 PolarHBondContact O-N 2.95Å; L43-P45 WeakPolarHBondContact O-CD 3.39Å; L43-P45 VanDerWaalsContact O-N 3.08Å; L43-T165 HydrophobicContact CD2-CG2 4.5Å; L43-D168 HydrophobicContact CD1-CB 4.08Å; L43-D168 WeakPolarHBondContact CD1-OD2 3.47Å; L43-L169 HydrophobicContact CD1-CD2 4.42Å; L43-L169 HydrophobicContact CD1-CG 4.04Å; L43-L169 HydrophobicContact CD2-CD1 3.96Å; L43-L169 HydrophobicContact CD2-CD2 3.92Å; L43-L169 HydrophobicContact CD2-CG 3.87Å
44	V	70.6	Confident	68.6	Low	82 Å²	82	112.2 Å²	112.2	50%	0.497	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-51.2	120	178.5	-179.5	0	0	0	0	108.1	R42 V46 R172	R42-V44 PolarHBondContact O-N 3.35Å; V44-V46 WeakPolarHBondContact O-CG2 3.35Å; V44-V46 PolarHBondContact O-N 3.43Å; V44-R172 PolarHBondContact O-NH1 2.84Å
45	P	72.3	Confident	70.7	Confident	116 Å²	116	110.3 Å²	110.3	75%	0.753	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-60.3	127.9	178.3	-20.3	30.8	0	0	0	109	L43	L43-P45 WeakPolarHBondContact O-CD 3.39Å; L43-P45 VanDerWaalsContact O-N 3.08Å
46	V	80.4	Confident	73	Confident	30 Å²	30	105.1 Å²	105.1	18%	0.182	58%	0.58	C	S	.	*			trans	-110.9	115.8	178.2	-160.7	0	0	0	0	108.3	V44 Y157	V44-V46 WeakPolarHBondContact O-CG2 3.35Å; V44-V46 PolarHBondContact O-N 3.43Å; V46-Y157 WeakPolarHBondContact CG2-OH 3.39Å
47	S	82.1	Confident	75.4	Confident	86 Å²	86	108.4 Å²	108.4	60%	0.601	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-67.8	150.3	176	-58.1	0	0	0	0	110.5	R108	S47-R108 PolarHBondContact O-NH1 3.44Å; S47-R108 PolarHBondContact O-NH2 2.89Å
48	P	84.9	Confident	78.2	Confident	119 Å²	119	106.7 Å²	106.7	77%	0.773	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-55.3	142.5	170	-24.9	34.8	0	0	0	111.3
49	L	90.3	Very high	80.7	Confident	42 Å²	42	101.9 Å²	101.9	22%	0.22	55%	0.548	C	S	.	.	P	Polyproline II helix	trans	-64.4	138.1	172.5	-77.3	172.1	0	0	0	109.5	T82 A83 R108	L49-T82 WeakPolarHBondContact CD1-O 3.47Å; L49-A83 WeakPolarHBondContact CD1-O 3.48Å; L49-R108 HydrophobicContact CD1-CB 3.84Å; L49-R108 HydrophobicContact CD2-CB 4.22Å; L49-R108 HydrophobicContact CG-CB 4.29Å
50	P	88.3	Confident	83.2	Confident	97 Å²	97	95.4 Å²	95.4	63%	0.63	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-65.5	144.9	178.2	27.9	-33.7	0	0	0	110.1
51	P	88.9	Confident	85.8	Confident	130 Å²	130	95.4 Å²	95.4	84%	0.844	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-61.6	143.6	172.6	28.1	-34.1	0	0	0	109.7
52	K	92.9	Very high	87.9	Confident	70 Å²	70	94.7 Å²	94.7	30%	0.304	51%	0.513	S	S	.	.			trans	-124.4	112.4	-179	-164.6	169.3	-172.4	145.3	0	111.1	T54 E59 L78 A81 T82	K52-T54 VanDerWaalsContact CE-O 3.23Å; K52-T54 WeakPolarHBondContact CE-O 3.3Å; K52-E59 WeakPolarHBondContact CE-OE2 3.39Å; K52-E59 IonicContact NZ-OE1 2.98Å; K52-E59 PolarHBondContact NZ-OE1 3.11Å; K52-E59 IonicContact NZ-OE2 3.9Å; K52-E59 PolarHBondContact NZ-OE2 2.9Å; K52-L78 HydrophobicContact CB-CD2 4.37Å; K52-L78 HydrophobicContact CD-CD2 4.3Å; K52-L78 HydrophobicContact CG-CD2 3.88Å; K52-A81 HydrophobicContact CD-CB 3.8Å; K52-T82 HydrophobicContact CB-CG2 3.63Å
53	A	92.4	Very high	89.8	Confident	89 Å²	89	83.6 Å²	83.6	74%	0.736	47%	0.472	S	S	*	.			trans	-89	-29.4	-179.1	0	0	0	0	0	113.3	L78	A53-L78 WeakPolarHBondContact O-CD1 3.45Å
54	T	96.3	Very high	91.2	Very high	106 Å²	106	84.6 Å²	84.6	65%	0.65	48%	0.481	S	S	*	.	S	Bend	trans	-143.4	153	-173.9	57.3	0	0	0	0	111.7	K52	K52-T54 VanDerWaalsContact CE-O 3.23Å; K52-T54 WeakPolarHBondContact CE-O 3.3Å
55	L	97	Very high	92.5	Very high	21 Å²	21	90.8 Å²	90.8	11%	0.11	50%	0.495	C	S	.	.			trans	-87.3	140.7	172.2	-59.1	176.7	0	0	0	110.2	E59 I60 L67 V74 Q77 L78	L55-E59 HydrophobicContact CB-CB 4.3Å; L55-I60 HydrophobicContact CB-CD1 4.32Å; L55-I60 HydrophobicContact CB-CG1 3.78Å; L55-I60 HydrophobicContact CD1-CG1 4.36Å; L55-L67 HydrophobicContact CD1-CD1 4.03Å; L55-L67 HydrophobicContact CD1-CD2 3.68Å; L55-L67 HydrophobicContact CD1-CG 4.5Å; L55-V74 HydrophobicContact CD1-CG1 4.06Å; L55-V74 HydrophobicContact CG-CG1 4.35Å; L55-Q77 HydrophobicContact CD1-CB 4.03Å; L55-Q77 HydrophobicContact CD1-CG 3.8Å; L55-Q77 HydrophobicContact CD2-CB 4.44Å; L55-Q77 HydrophobicContact CD2-CG 3.85Å; L55-Q77 HydrophobicContact CG-CG 4.49Å; L55-L78 HydrophobicContact CD2-CD2 3.64Å; L55-L78 HydrophobicContact CD2-CG 4.23Å; L55-L78 HydrophobicContact CG-CD2 3.97Å; L55-L78 HydrophobicContact CG-CG 4.38Å
56	S	96.7	Very high	93.7	Very high	55 Å²	55	87.3 Å²	87.3	39%	0.385	47%	0.469	S	S	.	.			trans	-72	165.7	170.5	65.4	0	0	0	0	111.6	D58 E59 I60	S56-D58 VanDerWaalsContact C-N 3.28Å; S56-D58 PolarHBondContact O-N 3.18Å; S56-E59 WeakPolarHBondContact CB-OE2 3.37Å; S56-E59 PolarHBondContact N-OE2 2.84Å; S56-E59 PolarHBondContact O-N 3.38Å; S56-E59 VanDerWaalsContact OG-CG 3.23Å; S56-E59 WeakPolarHBondContact OG-CG 3.42Å; S56-E59 PolarHBondContact OG-N 3.44Å; S56-E59 PolarHBondContact OG-OE2 2.56Å; S56-I60 WeakPolarHBondContact O-CG1 3.34Å; S56-I60 PolarHBondContact O-N 3.46Å
57	R	97.6	Very high	94.5	Very high	215 Å²	215	87.1 Å²	87.1	81%	0.811	47%	0.467	S	S	*	.	H	α-helix	trans	-54.8	-43.9	174.7	-179.3	-174.6	175.3	-151	-0.8	112.1	E59 I60 L61	R57-E59 VanDerWaalsContact C-N 3.33Å; R57-E59 PolarHBondContact O-N 2.97Å; R57-I60 PolarHBondContact O-N 3.01Å; R57-L61 WeakPolarHBondContact O-CB 3.49Å; R57-L61 PolarHBondContact O-N 3.02Å
58	D	97.1	Very high	95.3	Very high	111 Å²	111	88.2 Å²	88.2	59%	0.594	47%	0.47	S	S	*	.	H	α-helix	trans	-68.2	-35.6	-177.4	-66.2	-13.9	0	0	0	111.5	S56 L61 R62	S56-D58 VanDerWaalsContact C-N 3.28Å; S56-D58 PolarHBondContact O-N 3.18Å; D58-L61 PolarHBondContact O-N 3.4Å; D58-R62 VanDerWaalsContact O-CB 3.32Å; D58-R62 WeakPolarHBondContact O-CB 3.24Å; D58-R62 PolarHBondContact O-N 2.89Å
59	E	97.2	Very high	95.9	Very high	19 Å²	19	86.7 Å²	86.7	9%	0.089	45%	0.454	C	S	.	.	H	α-helix	trans	-70.1	-41.3	174.4	-69.8	173.5	118.4	0	0	112.1	K52 L55 S56 R57 L61 R62 Y63	K52-E59 WeakPolarHBondContact CE-OE2 3.39Å; K52-E59 IonicContact NZ-OE1 2.98Å; K52-E59 PolarHBondContact NZ-OE1 3.11Å; K52-E59 IonicContact NZ-OE2 3.9Å; K52-E59 PolarHBondContact NZ-OE2 2.9Å; L55-E59 HydrophobicContact CB-CB 4.3Å; S56-E59 WeakPolarHBondContact CB-OE2 3.37Å; S56-E59 PolarHBondContact N-OE2 2.84Å; S56-E59 PolarHBondContact O-N 3.38Å; S56-E59 VanDerWaalsContact OG-CG 3.23Å; S56-E59 WeakPolarHBondContact OG-CG 3.42Å; S56-E59 PolarHBondContact OG-N 3.44Å; S56-E59 PolarHBondContact OG-OE2 2.56Å; R57-E59 VanDerWaalsContact C-N 3.33Å; R57-E59 PolarHBondContact O-N 2.97Å; E59-L61 VanDerWaalsContact C-N 3.28Å; E59-L61 PolarHBondContact O-N 3.18Å; E59-R62 PolarHBondContact O-N 3.4Å; E59-Y63 HydrophobicContact CB-CD2 3.94Å; E59-Y63 HydrophobicContact CB-CE2 3.89Å; E59-Y63 HydrophobicContact CG-CE2 3.96Å; E59-Y63 WeakPolarHBondContact O-CB 3.4Å; E59-Y63 WeakPolarHBondContact O-CD2 3.33Å; E59-Y63 PolarHBondContact O-N 3.03Å
60	I	98	Very high	96.3	Very high	87 Å²	87	90.3 Å²	90.3	45%	0.446	48%	0.481	S	S	.	.	H	α-helix	trans	-60.1	-42.4	174	-68.2	168	0	0	0	110.3	L55 S56 R57 S64 L67	L55-I60 HydrophobicContact CB-CD1 4.32Å; L55-I60 HydrophobicContact CB-CG1 3.78Å; L55-I60 HydrophobicContact CD1-CG1 4.36Å; S56-I60 WeakPolarHBondContact O-CG1 3.34Å; S56-I60 PolarHBondContact O-N 3.46Å; R57-I60 PolarHBondContact O-N 3.01Å; I60-S64 VanDerWaalsContact O-CA 3.26Å; I60-S64 WeakPolarHBondContact O-CA 3.42Å; I60-S64 VanDerWaalsContact O-CB 3.3Å; I60-S64 WeakPolarHBondContact O-CB 3.49Å; I60-S64 PolarHBondContact O-N 3.38Å; I60-L67 HydrophobicContact CB-CD1 4.37Å; I60-L67 HydrophobicContact CG1-CD1 4.39Å; I60-L67 HydrophobicContact CG2-CD1 4.29Å
61	L	97.9	Very high	96.7	Very high	126 Å²	126	92.4 Å²	92.4	66%	0.66	48%	0.482	S	S	*	.	H	α-helix	trans	-62.9	-52.8	176.6	179.5	63.2	0	0	0	111.3	R57 D58 E59 Y63 S64	R57-L61 WeakPolarHBondContact O-CB 3.49Å; R57-L61 PolarHBondContact O-N 3.02Å; D58-L61 PolarHBondContact O-N 3.4Å; E59-L61 VanDerWaalsContact C-N 3.28Å; E59-L61 PolarHBondContact O-N 3.18Å; L61-Y63 PolarHBondContact O-N 3.47Å; L61-S64 WeakPolarHBondContact O-CB 3.42Å; L61-S64 PolarHBondContact O-N 2.86Å; L61-S64 PolarHBondContact O-OG 2.91Å
62	R	98.1	Very high	97.1	Very high	124 Å²	124	87.3 Å²	87.3	47%	0.468	45%	0.448	S	S	.	.	H	α-helix	trans	-60.7	-46.5	-177.7	178.6	174.1	-77.4	146.2	4.5	112.1	D58 E59 N149	D58-R62 VanDerWaalsContact O-CB 3.32Å; D58-R62 WeakPolarHBondContact O-CB 3.24Å; D58-R62 PolarHBondContact O-N 2.89Å; E59-R62 PolarHBondContact O-N 3.4Å; R62-N149 PolarHBondContact NH1-OD1 3.49Å
63	Y	98.4	Very high	97.3	Very high	5 Å²	5	84.7 Å²	84.7	2%	0.02	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	9	-174.9	-51.4	-50.8	0	0	0	113	E59 L61 R65 Q66 L67 Q77 A103 G105 N149	E59-Y63 HydrophobicContact CB-CD2 3.94Å; E59-Y63 HydrophobicContact CB-CE2 3.89Å; E59-Y63 HydrophobicContact CG-CE2 3.96Å; E59-Y63 WeakPolarHBondContact O-CB 3.4Å; E59-Y63 WeakPolarHBondContact O-CD2 3.33Å; E59-Y63 PolarHBondContact O-N 3.03Å; L61-Y63 PolarHBondContact O-N 3.47Å; Y63-R65 PolarHBondContact O-N 2.86Å; Y63-Q66 VanDerWaalsContact O-CG 3.24Å; Y63-Q66 WeakPolarHBondContact O-CG 3.47Å; Y63-Q66 PolarHBondContact O-N 3.12Å; Y63-L67 VanDerWaalsContact O-CG 3.29Å; Y63-L67 WeakPolarHBondContact O-CG 3.28Å; Y63-L67 PolarHBondContact O-N 3.23Å; Y63-Q77 HydrophobicContact CD2-CG 3.97Å; Y63-Q77 HydrophobicContact CG-CG 4.39Å; Y63-A103 WeakPolarHBondContact CE1-O 3.24Å; Y63-G105 VanDerWaalsContact OH-CA 3.25Å; Y63-G105 WeakPolarHBondContact OH-CA 3.48Å; Y63-N149 PolarHBondContact OH-ND2 2.94Å
64	S	97.8	Very high	97.6	Very high	46 Å²	46	84.2 Å²	84.2	32%	0.322	43%	0.428	S	S	.	.	H	α-helix	trans	-48.1	-38	-175.7	54.1	0	0	0	0	114	I60 L61 V68	I60-S64 VanDerWaalsContact O-CA 3.26Å; I60-S64 WeakPolarHBondContact O-CA 3.42Å; I60-S64 VanDerWaalsContact O-CB 3.3Å; I60-S64 WeakPolarHBondContact O-CB 3.49Å; I60-S64 PolarHBondContact O-N 3.38Å; L61-S64 WeakPolarHBondContact O-CB 3.42Å; L61-S64 PolarHBondContact O-N 2.86Å; L61-S64 PolarHBondContact O-OG 2.91Å; S64-V68 WeakPolarHBondContact O-CG1 3.39Å; S64-V68 PolarHBondContact O-N 2.97Å
65	R	98.1	Very high	97.6	Very high	213 Å²	213	85.6 Å²	85.6	80%	0.804	43%	0.427	S	S	*	.	H	α-helix	trans	-74.1	-29.9	-179.6	-60.2	-56.9	-177.2	-164.4	-1.1	114.4	Y63 V68	Y63-R65 PolarHBondContact O-N 2.86Å; R65-V68 WeakPolarHBondContact O-CG2 3.36Å
66	Q	97.2	Very high	97.7	Very high	42 Å²	42	84.7 Å²	84.7	20%	0.196	42%	0.423	C	S	.	.	H	α-helix	trans	-87.4	-26.9	174	65.9	-170.3	79.6	0	0	111.8	Y63 V68 L69 L72 A104	Y63-Q66 VanDerWaalsContact O-CG 3.24Å; Y63-Q66 WeakPolarHBondContact O-CG 3.47Å; Y63-Q66 PolarHBondContact O-N 3.12Å; Q66-V68 VanDerWaalsContact C-N 3.28Å; Q66-V68 PolarHBondContact O-N 2.97Å; Q66-L69 HydrophobicContact CB-CD1 4.5Å; Q66-L69 WeakPolarHBondContact O-CB 3.41Å; Q66-L69 PolarHBondContact O-N 3.44Å; Q66-L72 HydrophobicContact CB-CD2 3.75Å; Q66-L72 HydrophobicContact CG-CD2 4.05Å; Q66-A104 PolarHBondContact NE2-O 2.99Å
67	L	98.3	Very high	97.8	Very high	27 Å²	27	82.1 Å²	82.1	14%	0.141	40%	0.404	C	S	.	.	H	α-helix	trans	-65.7	-27.2	176.6	-71.3	176.9	0	0	0	113.9	L55 I60 Y63 L69 G73 V74 Q77	L55-L67 HydrophobicContact CD1-CD1 4.03Å; L55-L67 HydrophobicContact CD1-CD2 3.68Å; L55-L67 HydrophobicContact CD1-CG 4.5Å; I60-L67 HydrophobicContact CB-CD1 4.37Å; I60-L67 HydrophobicContact CG1-CD1 4.39Å; I60-L67 HydrophobicContact CG2-CD1 4.29Å; Y63-L67 VanDerWaalsContact O-CG 3.29Å; Y63-L67 WeakPolarHBondContact O-CG 3.28Å; Y63-L67 PolarHBondContact O-N 3.23Å; L67-L69 VanDerWaalsContact C-N 3.26Å; L67-L69 PolarHBondContact O-N 3.44Å; L67-G73 WeakPolarHBondContact O-CA 3.42Å; L67-V74 HydrophobicContact CD2-CG2 4.15Å; L67-Q77 HydrophobicContact CD2-CB 3.57Å; L67-Q77 HydrophobicContact CD2-CG 3.95Å
68	V	98.1	Very high	97.8	Very high	109 Å²	109	73.2 Å²	73.2	66%	0.661	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-9.1	177.9	-66.2	0	0	0	0	113.5	S64 R65 Q66 P70	S64-V68 WeakPolarHBondContact O-CG1 3.39Å; S64-V68 PolarHBondContact O-N 2.97Å; R65-V68 WeakPolarHBondContact O-CG2 3.36Å; Q66-V68 VanDerWaalsContact C-N 3.28Å; Q66-V68 PolarHBondContact O-N 2.97Å; V68-P70 WeakPolarHBondContact O-CD 3.48Å
69	L	98.1	Very high	97.8	Very high	86 Å²	86	72.5 Å²	72.5	45%	0.45	36%	0.362	S	S	.	.			trans	-74.8	117.8	176.9	-59.8	175.2	0	0	0	109.2	Q66 L67 E71 L72 G73	Q66-L69 HydrophobicContact CB-CD1 4.5Å; Q66-L69 WeakPolarHBondContact O-CB 3.41Å; Q66-L69 PolarHBondContact O-N 3.44Å; L67-L69 VanDerWaalsContact C-N 3.26Å; L67-L69 PolarHBondContact O-N 3.44Å; L69-E71 PolarHBondContact O-N 3.06Å; L69-L72 HydrophobicContact CB-CB 4.2Å; L69-L72 PolarHBondContact O-N 3.22Å; L69-L72 VanDerWaalsContact O-N 3.07Å; L69-G73 PolarHBondContact O-N 3.28Å
70	P	97.6	Very high	97.9	Very high	119 Å²	119	71.8 Å²	71.8	77%	0.773	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.9	-176	-26.8	35.9	0	0	0	114.1	V68 L72	V68-P70 WeakPolarHBondContact O-CD 3.48Å; P70-L72 VanDerWaalsContact C-N 3.34Å
71	E	97.1	Very high	97.9	Very high	140 Å²	140	68.4 Å²	68.4	65%	0.654	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-32.8	179.8	-60	79	-176.3	0	0	111.8	L69 L267	L69-E71 PolarHBondContact O-N 3.06Å; E71-L267 HydrophobicContact CB-CD2 4.42Å; E71-L267 WeakPolarHBondContact O-CD2 3.17Å
72	L	97.4	Very high	97.9	Very high	24 Å²	24	64.7 Å²	64.7	13%	0.126	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-64.9	-179.4	-171	72.4	0	0	0	111.3	Q66 L69 P70 G76 L80 A265	Q66-L72 HydrophobicContact CB-CD2 3.75Å; Q66-L72 HydrophobicContact CG-CD2 4.05Å; L69-L72 HydrophobicContact CB-CB 4.2Å; L69-L72 PolarHBondContact O-N 3.22Å; L69-L72 VanDerWaalsContact O-N 3.07Å; P70-L72 VanDerWaalsContact C-N 3.34Å; L72-G76 VanDerWaalsContact O-CA 3.24Å; L72-G76 WeakPolarHBondContact O-CA 3.43Å; L72-G76 PolarHBondContact O-N 3.09Å; L72-L80 HydrophobicContact CD1-CD1 4.32Å; L72-A265 HydrophobicContact CD1-CB 3.55Å
73	G	97.4	Very high	97.9	Very high	15 Å²	15	59.1 Å²	59.1	16%	0.155	31%	0.307	C	S	.	.	H	α-helix	trans	55.3	-165.7	-179.5	0	0	0	0	0	114.7	L67 L69 H75 Q77	L67-G73 WeakPolarHBondContact O-CA 3.42Å; L69-G73 PolarHBondContact O-N 3.28Å; G73-H75 VanDerWaalsContact C-N 3.31Å; G73-H75 PolarHBondContact O-N 3.19Å; G73-Q77 PolarHBondContact O-N 3.21Å
74	V	97.9	Very high	97.9	Very high	79 Å²	79	59.2 Å²	59.2	48%	0.479	31%	0.308	S	S	.	.	H	α-helix	trans	-63.4	-38.5	175	176	0	0	0	0	111.3	L55 L67 Q77 L78	L55-V74 HydrophobicContact CD1-CG1 4.06Å; L55-V74 HydrophobicContact CG-CG1 4.35Å; L67-V74 HydrophobicContact CD2-CG2 4.15Å; V74-Q77 PolarHBondContact O-N 3.4Å; V74-L78 HydrophobicContact CG1-CD1 4Å; V74-L78 HydrophobicContact CG1-CG 4.28Å; V74-L78 WeakPolarHBondContact O-CG 3.18Å; V74-L78 PolarHBondContact O-N 3.45Å
75	H	97.4	Very high	97.9	Very high	135 Å²	135	57 Å²	57	63%	0.625	29%	0.293	S	S	*	.	H	α-helix	trans	-62.9	-48.7	-178.6	176	-98.7	0	0	0	112.1	G73 Q77 L78 R79	G73-H75 VanDerWaalsContact C-N 3.31Å; G73-H75 PolarHBondContact O-N 3.19Å; H75-Q77 VanDerWaalsContact C-N 3.31Å; H75-Q77 PolarHBondContact O-N 3.08Å; H75-L78 PolarHBondContact O-N 2.91Å; H75-R79 WeakPolarHBondContact O-CG 3.4Å; H75-R79 PolarHBondContact O-N 2.82Å; H75-R79 VanDerWaalsContact O-N 3.1Å
76	G	97.9	Very high	97.9	Very high	2 Å²	2	46.9 Å²	46.9	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-61.5	-40.1	174.9	0	0	0	0	0	111.9	L72 L78 R79 L80	L72-G76 VanDerWaalsContact O-CA 3.24Å; L72-G76 WeakPolarHBondContact O-CA 3.43Å; L72-G76 PolarHBondContact O-N 3.09Å; G76-L78 PolarHBondContact O-N 2.95Å; G76-R79 WeakPolarHBondContact O-CB 3.44Å; G76-R79 PolarHBondContact O-N 3.33Å; G76-L80 WeakPolarHBondContact O-CG 3.49Å; G76-L80 PolarHBondContact O-N 2.87Å
77	Q	98.4	Very high	98	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.6	-42.4	175.9	-169.3	64.4	46.8	0	0	113.3	L55 Y63 L67 G73 V74 H75 R79 L80 A81 A104	L55-Q77 HydrophobicContact CD1-CB 4.03Å; L55-Q77 HydrophobicContact CD1-CG 3.8Å; L55-Q77 HydrophobicContact CD2-CB 4.44Å; L55-Q77 HydrophobicContact CD2-CG 3.85Å; L55-Q77 HydrophobicContact CG-CG 4.49Å; Y63-Q77 HydrophobicContact CD2-CG 3.97Å; Y63-Q77 HydrophobicContact CG-CG 4.39Å; L67-Q77 HydrophobicContact CD2-CB 3.57Å; L67-Q77 HydrophobicContact CD2-CG 3.95Å; G73-Q77 PolarHBondContact O-N 3.21Å; V74-Q77 PolarHBondContact O-N 3.4Å; H75-Q77 VanDerWaalsContact C-N 3.31Å; H75-Q77 PolarHBondContact O-N 3.08Å; Q77-R79 VanDerWaalsContact C-N 3.28Å; Q77-R79 PolarHBondContact O-N 2.99Å; Q77-L80 PolarHBondContact O-N 3.3Å; Q77-A81 WeakPolarHBondContact O-CB 3.4Å; Q77-A81 PolarHBondContact O-N 3.07Å; Q77-A104 PolarHBondContact NE2-O 2.91Å
78	L	98.1	Very high	98	Very high	29 Å²	29	44 Å²	44	15%	0.152	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-41.2	176.5	-72.4	170.5	0	0	0	110.8	K52 A53 L55 V74 H75 G76 A81 T82	K52-L78 HydrophobicContact CB-CD2 4.37Å; K52-L78 HydrophobicContact CD-CD2 4.3Å; K52-L78 HydrophobicContact CG-CD2 3.88Å; A53-L78 WeakPolarHBondContact O-CD1 3.45Å; L55-L78 HydrophobicContact CD2-CD2 3.64Å; L55-L78 HydrophobicContact CD2-CG 4.23Å; L55-L78 HydrophobicContact CG-CD2 3.97Å; L55-L78 HydrophobicContact CG-CG 4.38Å; V74-L78 HydrophobicContact CG1-CD1 4Å; V74-L78 HydrophobicContact CG1-CG 4.28Å; V74-L78 WeakPolarHBondContact O-CG 3.18Å; V74-L78 PolarHBondContact O-N 3.45Å; H75-L78 PolarHBondContact O-N 2.91Å; G76-L78 PolarHBondContact O-N 2.95Å; L78-A81 PolarHBondContact O-N 3.29Å; L78-T82 PolarHBondContact O-N 3.49Å; L78-T82 VanDerWaalsContact O-N 3.13Å; L78-T82 PolarHBondContact O-OG1 3.48Å
79	R	98.1	Very high	98	Very high	96 Å²	96	39.4 Å²	39.4	36%	0.362	22%	0.216	S	C	.	.	H	α-helix	trans	-61.6	-45.1	174.2	-71.5	-176.4	59.4	160.3	5.8	112.6	H75 G76 Q77 A81 T82 A83 A264 A265 G266	H75-R79 WeakPolarHBondContact O-CG 3.4Å; H75-R79 PolarHBondContact O-N 2.82Å; H75-R79 VanDerWaalsContact O-N 3.1Å; G76-R79 WeakPolarHBondContact O-CB 3.44Å; G76-R79 PolarHBondContact O-N 3.33Å; Q77-R79 VanDerWaalsContact C-N 3.28Å; Q77-R79 PolarHBondContact O-N 2.99Å; R79-A81 VanDerWaalsContact C-N 3.32Å; R79-A81 PolarHBondContact O-N 2.89Å; R79-T82 CarbonylContact O-C 3.55Å; R79-T82 PolarHBondContact O-N 3.37Å; R79-T82 PolarHBondContact O-OG1 3.07Å; R79-T82 VanDerWaalsContact O-OG1 3.12Å; R79-A83 WeakPolarHBondContact O-CB 3.28Å; R79-A83 PolarHBondContact O-N 2.83Å; R79-A264 PolarHBondContact NE-O 3.37Å; R79-A264 VanDerWaalsContact NE-O 3.13Å; R79-A264 PolarHBondContact NH2-O 2.78Å; R79-A265 WeakPolarHBondContact CD-O 3.31Å; R79-A265 VanDerWaalsContact CZ-O 3.25Å; R79-A265 PolarHBondContact NE-O 3.35Å; R79-A265 PolarHBondContact NH1-O 2.94Å; R79-G266 VanDerWaalsContact CZ-N 3.35Å; R79-G266 VanDerWaalsContact NH1-CA 3.27Å; R79-G266 VanDerWaalsContact NH2-CA 3.26Å
80	L	98.4	Very high	98	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-57.5	-47.2	174.6	-68.1	178.2	0	0	0	110.7	L72 G76 Q77 T82 A83 G105 V106 G107 L261 A264 A265	L72-L80 HydrophobicContact CD1-CD1 4.32Å; G76-L80 WeakPolarHBondContact O-CG 3.49Å; G76-L80 PolarHBondContact O-N 2.87Å; Q77-L80 PolarHBondContact O-N 3.3Å; L80-T82 PolarHBondContact O-N 2.85Å; L80-A83 PolarHBondContact O-N 2.89Å; L80-G105 CarbonylContact C-O 3.56Å; L80-V106 HydrophobicContact CD2-CG2 4.45Å; L80-V106 CarbonylContact O-C 3.57Å; L80-V106 VanDerWaalsContact O-CA 3.31Å; L80-V106 WeakPolarHBondContact O-CA 3.08Å; L80-G107 PolarHBondContact O-N 3.27Å; L80-L261 HydrophobicContact CD1-CD2 4.3Å; L80-L261 HydrophobicContact CD2-CD2 3.71Å; L80-A264 HydrophobicContact CD2-CB 3.72Å; L80-A265 HydrophobicContact CD2-CB 4.21Å; L80-A265 HydrophobicContact CG-CB 4.38Å
81	A	97.9	Very high	97.9	Very high	16 Å²	16	30.3 Å²	30.3	13%	0.132	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-21.5	-179	0	0	0	0	0	114.1	K52 Q77 L78 R79 G105 G107	K52-A81 HydrophobicContact CD-CB 3.8Å; Q77-A81 WeakPolarHBondContact O-CB 3.4Å; Q77-A81 PolarHBondContact O-N 3.07Å; L78-A81 PolarHBondContact O-N 3.29Å; R79-A81 VanDerWaalsContact C-N 3.32Å; R79-A81 PolarHBondContact O-N 2.89Å; A81-G105 WeakPolarHBondContact CA-O 3.36Å; A81-G105 PolarHBondContact N-O 3.3Å; A81-G107 WeakPolarHBondContact O-CA 3.44Å
82	T	97.4	Very high	97.8	Very high	49 Å²	49	24.1 Å²	24.1	30%	0.301	14%	0.137	S	C	.	.	H	α-helix	trans	-102.4	-3.3	174.5	57.6	0	0	0	0	113.7	L49 K52 L78 R79 L80	L49-T82 WeakPolarHBondContact CD1-O 3.47Å; K52-T82 HydrophobicContact CB-CG2 3.63Å; L78-T82 PolarHBondContact O-N 3.49Å; L78-T82 VanDerWaalsContact O-N 3.13Å; L78-T82 PolarHBondContact O-OG1 3.48Å; R79-T82 CarbonylContact O-C 3.55Å; R79-T82 PolarHBondContact O-N 3.37Å; R79-T82 PolarHBondContact O-OG1 3.07Å; R79-T82 VanDerWaalsContact O-OG1 3.12Å; L80-T82 PolarHBondContact O-N 2.85Å
83	A	98	Very high	97.9	Very high	7 Å²	7	23.5 Å²	23.5	6%	0.058	14%	0.135	C	C	.	.			trans	-84.2	150.3	-179.3	0	0	0	0	0	111.8	L49 R79 L80 G107 R108 A264	L49-A83 WeakPolarHBondContact CD1-O 3.48Å; R79-A83 WeakPolarHBondContact O-CB 3.28Å; R79-A83 PolarHBondContact O-N 2.83Å; L80-A83 PolarHBondContact O-N 2.89Å; A83-G107 WeakPolarHBondContact O-CA 3.39Å; A83-G107 PolarHBondContact O-N 2.93Å; A83-R108 PolarHBondContact O-N 3.44Å; A83-R108 VanDerWaalsContact O-N 3.08Å; A83-A264 HydrophobicContact CB-CB 3.85Å
84	S	98.4	Very high	97.9	Very high	7 Å²	7	22.9 Å²	22.9	5%	0.049	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131	176.2	61.2	0	0	0	0	111	R108 Y173 D174 V175	S84-R108 WeakPolarHBondContact CA-O 3.27Å; S84-Y173 WeakPolarHBondContact OG-CA 3.42Å; S84-D174 PolarHBondContact N-OD2 2.87Å; S84-D174 WeakPolarHBondContact O-CB 3.4Å; S84-D174 PolarHBondContact O-N 3.03Å; S84-D174 VanDerWaalsContact OG-CG 3.3Å; S84-D174 PolarHBondContact OG-N 2.83Å; S84-D174 VanDerWaalsContact OG-N 3.12Å; S84-D174 PolarHBondContact OG-OD2 2.94Å; S84-V175 PolarHBondContact O-N 3.41Å
85	V	98.8	Very high	97.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.9	-179.2	-177.6	0	0	0	0	110.6	V87 L101 V106 R108 L109 G110 Y173 V175 V260	V85-V87 HydrophobicContact CG1-CG2 4.3Å; V85-L101 HydrophobicContact CB-CD1 4.18Å; V85-L101 HydrophobicContact CG1-CD1 3.78Å; V85-L101 HydrophobicContact CG2-CD1 4.34Å; V85-V106 HydrophobicContact CG2-CG1 3.88Å; V85-R108 PolarHBondContact N-O 2.93Å; V85-L109 HydrophobicContact CB-CD2 4Å; V85-L109 CarbonylContact O-C 3.56Å; V85-L109 WeakPolarHBondContact O-CA 3.22Å; V85-G110 PolarHBondContact O-N 2.83Å; V85-Y173 WeakPolarHBondContact O-CD1 3.4Å; V85-V175 WeakPolarHBondContact CA-O 3.45Å; V85-V175 HydrophobicContact CG2-CB 4.45Å; V85-V260 HydrophobicContact CB-CG1 4.37Å; V85-V260 HydrophobicContact CG1-CG1 3.84Å; V85-V260 HydrophobicContact CG2-CG1 3.57Å
86	L	98.8	Very high	98	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.5	169.8	-173.6	63.8	0	0	0	109.7	V88 V112 Y157 L169 V170 Y173 V175 V176 A177	L86-V88 HydrophobicContact CD2-CG2 4.17Å; L86-V88 HydrophobicContact CG-CG2 4.05Å; L86-V112 HydrophobicContact CD1-CG2 3.59Å; L86-V112 HydrophobicContact CG-CG2 4.4Å; L86-Y157 HydrophobicContact CD1-CE2 4.4Å; L86-L169 HydrophobicContact CD2-CB 4.38Å; L86-V170 HydrophobicContact CD2-CG2 4.03Å; L86-Y173 HydrophobicContact CB-CD1 4.23Å; L86-Y173 HydrophobicContact CB-CD2 3.75Å; L86-Y173 HydrophobicContact CB-CE2 4.4Å; L86-Y173 HydrophobicContact CB-CG 3.67Å; L86-Y173 HydrophobicContact CD1-CD2 3.87Å; L86-Y173 HydrophobicContact CD1-CE2 3.7Å; L86-Y173 HydrophobicContact CD1-CG 4.5Å; L86-Y173 HydrophobicContact CD2-CD2 4.32Å; L86-Y173 HydrophobicContact CG-CD2 4.2Å; L86-V175 PolarHBondContact N-O 3.13Å; L86-V176 HydrophobicContact CB-CG1 4.38Å; L86-V176 HydrophobicContact CB-CG2 4.29Å; L86-V176 HydrophobicContact CD2-CG1 4.36Å; L86-V176 HydrophobicContact CD2-CG2 4.49Å; L86-A177 PolarHBondContact O-N 3.38Å
87	V	98.8	Very high	98	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	112.7	174.3	-179.7	0	0	0	0	108.3	V85 L97 A98 L101 G110 L111 V112	V85-V87 HydrophobicContact CG1-CG2 4.3Å; V87-L97 HydrophobicContact CG1-CD2 3.98Å; V87-L97 HydrophobicContact CG2-CD2 4.03Å; V87-L97 HydrophobicContact CG2-CG 4.49Å; V87-A98 HydrophobicContact CG2-CB 4.48Å; V87-L101 HydrophobicContact CG2-CD1 4.34Å; V87-G110 PolarHBondContact N-O 3.05Å; V87-L111 HydrophobicContact CB-CD2 4.15Å; V87-L111 HydrophobicContact CG2-CD2 4.37Å; V87-V112 PolarHBondContact O-N 3.23Å
88	V	98.4	Very high	98.1	Very high	7 Å²	7	12.9 Å²	12.9	4%	0.042	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	105	179	-170.4	0	0	0	0	109.5	L86 V112 L161 V176 A177 C179 S180 T185 I189	L86-V88 HydrophobicContact CD2-CG2 4.17Å; L86-V88 HydrophobicContact CG-CG2 4.05Å; V88-V112 HydrophobicContact CG1-CB 4.49Å; V88-L161 HydrophobicContact CG1-CB 4.33Å; V88-L161 HydrophobicContact CG1-CD2 4.1Å; V88-L161 HydrophobicContact CG2-CD2 4.26Å; V88-V176 HydrophobicContact CG2-CG1 4.24Å; V88-A177 PolarHBondContact N-O 3.11Å; V88-C179 CarbonylContact O-C 3.49Å; V88-C179 VanDerWaalsContact O-C 3.24Å; V88-C179 VanDerWaalsContact O-CA 3.25Å; V88-C179 WeakPolarHBondContact O-CA 3.41Å; V88-C179 VanDerWaalsContact O-CB 3.25Å; V88-C179 WeakPolarHBondContact O-CB 3.21Å; V88-C179 PolarHBondContact O-N 3.06Å; V88-S180 PolarHBondContact O-N 3.48Å; V88-T185 HydrophobicContact CG1-CG2 4.32Å; V88-I189 HydrophobicContact CB-CD1 3.71Å; V88-I189 HydrophobicContact CG1-CD1 3.66Å; V88-I189 HydrophobicContact CG1-CG1 4.37Å; V88-I189 HydrophobicContact CG2-CD1 3.99Å; V88-I189 HydrophobicContact CG2-CG1 4.37Å
89	G	97.4	Very high	98.1	Very high	13 Å²	13	14.9 Å²	14.9	13%	0.134	9%	0.085	C	C	.	.			trans	100.3	117.4	-171.3	0	0	0	0	0	111.4	G91 G94 V112 C179	G89-G91 VanDerWaalsContact C-N 3.34Å; G89-G94 WeakPolarHBondContact O-CA 3.45Å; G89-V112 WeakPolarHBondContact CA-O 3.45Å; G89-V112 PolarHBondContact N-O 3.01Å; G89-C179 WeakPolarHBondContact O-CB 3.44Å
90	C	97.5	Very high	98.1	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.02	9%	0.092	C	C	.	.			trans	-97.5	21.8	174.6	-64.9	0	0	0	0	112.1	C95 D113 H128 K137 A141	C90-C95 PolarHBondContact O-SG 3.09Å; C90-D113 WeakPolarHBondContact CA-OD2 3.36Å; C90-D113 HydrophobicContact CB-CB 3.89Å; C90-D113 WeakPolarHBondContact CB-OD2 3.45Å; C90-D113 PolarHBondContact N-OD2 2.87Å; C90-H128 PolarHBondContact O-NE2 3.22Å; C90-K137 HydrophobicContact CB-CB 4.05Å; C90-A141 HydrophobicContact CB-CB 4.29Å
91	G	95.7	Very high	98.1	Very high	12 Å²	12	16.4 Å²	16.4	12%	0.124	9%	0.091	C	C	.	.	S	Bend	trans	-80.9	-148.1	179.1	0	0	0	0	0	114.4	G89 L93 G94 C95	G89-G91 VanDerWaalsContact C-N 3.34Å; G91-L93 VanDerWaalsContact C-N 3.3Å; G91-L93 PolarHBondContact O-N 2.92Å; G91-G94 PolarHBondContact O-N 2.84Å; G91-C95 WeakPolarHBondContact O-CB 3.38Å; G91-C95 PolarHBondContact O-N 2.81Å; G91-C95 PolarHBondContact O-SG 3.21Å
92	G	96.3	Very high	98.2	Very high	9 Å²	9	15.7 Å²	15.7	9%	0.093	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.4	-170.7	0	0	0	0	0	114.9	P96 R124 T249	G92-P96 WeakPolarHBondContact O-CD 3.39Å; G92-P96 WeakPolarHBondContact O-CG 3.35Å; G92-R124 WeakPolarHBondContact CA-O 3.43Å; G92-T249 CarbonylContact O-C 3.53Å; G92-T249 WeakPolarHBondContact O-CB 3.03Å
93	L	98	Very high	98.2	Very high	12 Å²	12	15.2 Å²	15.2	6%	0.063	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-45.4	173.8	-69.5	166.3	0	0	0	111.4	G91 C95 P96 L97 C179 A203 T249 L252	G91-L93 VanDerWaalsContact C-N 3.3Å; G91-L93 PolarHBondContact O-N 2.92Å; L93-C95 VanDerWaalsContact C-N 3.33Å; L93-C95 PolarHBondContact O-N 2.81Å; L93-P96 WeakPolarHBondContact O-CD 3.23Å; L93-P96 VanDerWaalsContact O-CG 3.32Å; L93-P96 WeakPolarHBondContact O-CG 3.35Å; L93-L97 WeakPolarHBondContact O-CB 3.39Å; L93-L97 PolarHBondContact O-N 2.76Å; L93-C179 HydrophobicContact CB-CB 3.9Å; L93-A203 HydrophobicContact CD1-CB 4.48Å; L93-A203 HydrophobicContact CD2-CB 4.29Å; L93-T249 HydrophobicContact CG-CG2 4.41Å; L93-L252 HydrophobicContact CD2-CB 3.55Å
94	G	98.4	Very high	98.3	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-66.6	-32.4	-176.3	0	0	0	0	0	113.8	G89 G91 L97 A98	G89-G94 WeakPolarHBondContact O-CA 3.45Å; G91-G94 PolarHBondContact O-N 2.84Å; G94-L97 PolarHBondContact O-N 2.78Å; G94-A98 VanDerWaalsContact O-CB 3.3Å; G94-A98 WeakPolarHBondContact O-CB 3.38Å; G94-A98 PolarHBondContact O-N 2.83Å
95	C	98.5	Very high	98.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-56	-66.7	177.2	-79.7	0	0	0	0	113	C90 G91 L93 L97 A98 Q99 Q125 V126 L127	C90-C95 PolarHBondContact O-SG 3.09Å; G91-C95 WeakPolarHBondContact O-CB 3.38Å; G91-C95 PolarHBondContact O-N 2.81Å; G91-C95 PolarHBondContact O-SG 3.21Å; L93-C95 VanDerWaalsContact C-N 3.33Å; L93-C95 PolarHBondContact O-N 2.81Å; C95-L97 VanDerWaalsContact C-N 3.27Å; C95-L97 PolarHBondContact O-N 2.82Å; C95-A98 PolarHBondContact O-N 2.84Å; C95-Q99 WeakPolarHBondContact O-CB 3.45Å; C95-Q99 PolarHBondContact O-N 3.49Å; C95-Q125 VanDerWaalsContact SG-C 3.57Å; C95-V126 HydrophobicContact CB-CG2 4.4Å; C95-L127 HydrophobicContact CB-CB 4.1Å; C95-L127 HydrophobicContact CB-CD1 4.27Å; C95-L127 HydrophobicContact CB-CG 3.87Å; C95-L127 VanDerWaalsContact O-CD1 3.3Å; C95-L127 WeakPolarHBondContact O-CD1 3.21Å; C95-L127 WeakPolarHBondContact O-CG 3.47Å
96	P	98.6	Very high	98.3	Very high	6 Å²	6	15.1 Å²	15.1	4%	0.039	9%	0.086	C	C	.	.	H	α-helix	trans	-61.5	-36.4	178.4	27.4	-38.3	0	0	0	111.9	G92 L93 Q99 Y100	G92-P96 WeakPolarHBondContact O-CD 3.39Å; G92-P96 WeakPolarHBondContact O-CG 3.35Å; L93-P96 WeakPolarHBondContact O-CD 3.23Å; L93-P96 VanDerWaalsContact O-CG 3.32Å; L93-P96 WeakPolarHBondContact O-CG 3.35Å; P96-Q99 PolarHBondContact O-N 2.66Å; P96-Y100 VanDerWaalsContact O-CD2 3.31Å; P96-Y100 WeakPolarHBondContact O-CD2 3.46Å; P96-Y100 PolarHBondContact O-N 3.39Å; P96-Y100 VanDerWaalsContact O-N 3.09Å
97	L	98.8	Very high	98.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-54.4	-62.2	175.9	169.6	66.1	0	0	0	111.1	V87 L93 G94 C95 Q99 Y100 L101 A177 C179 Q256 A257 V260	V87-L97 HydrophobicContact CG1-CD2 3.98Å; V87-L97 HydrophobicContact CG2-CD2 4.03Å; V87-L97 HydrophobicContact CG2-CG 4.49Å; L93-L97 WeakPolarHBondContact O-CB 3.39Å; L93-L97 PolarHBondContact O-N 2.76Å; G94-L97 PolarHBondContact O-N 2.78Å; C95-L97 VanDerWaalsContact C-N 3.27Å; C95-L97 PolarHBondContact O-N 2.82Å; L97-Q99 PolarHBondContact O-N 3.46Å; L97-Y100 PolarHBondContact O-N 2.7Å; L97-L101 HydrophobicContact CD1-CD1 3.78Å; L97-L101 HydrophobicContact CD1-CD2 4.38Å; L97-L101 HydrophobicContact CD1-CG 3.97Å; L97-L101 HydrophobicContact CG-CD1 3.98Å; L97-L101 HydrophobicContact CG-CG 4.42Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.25Å; L97-L101 PolarHBondContact O-N 2.67Å; L97-A177 HydrophobicContact CD2-CB 3.37Å; L97-C179 WeakPolarHBondContact CD2-SG 3.45Å; L97-Q256 HydrophobicContact CD1-CB 4.19Å; L97-Q256 HydrophobicContact CD1-CG 4.14Å; L97-Q256 HydrophobicContact CD2-CG 4.22Å; L97-A257 HydrophobicContact CD1-CB 3.71Å; L97-A257 VanDerWaalsContact CD1-N 3.28Å; L97-V260 HydrophobicContact CD1-CG2 4.35Å
98	A	98.8	Very high	98.2	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-65	-32.5	-174.5	0	0	0	0	0	111.7	V87 G94 C95 L101 A102 L111 L127 L145	V87-A98 HydrophobicContact CG2-CB 4.48Å; G94-A98 VanDerWaalsContact O-CB 3.3Å; G94-A98 WeakPolarHBondContact O-CB 3.38Å; G94-A98 PolarHBondContact O-N 2.83Å; C95-A98 PolarHBondContact O-N 2.84Å; A98-L101 PolarHBondContact O-N 2.82Å; A98-A102 WeakPolarHBondContact O-CB 3.47Å; A98-A102 PolarHBondContact O-N 3.17Å; A98-L111 HydrophobicContact CB-CD2 4.08Å; A98-L127 HydrophobicContact CB-CD1 4.2Å; A98-L145 HydrophobicContact CB-CD1 3.72Å; A98-L145 HydrophobicContact CB-CD2 4.31Å; A98-L145 WeakPolarHBondContact O-CD2 3.28Å
99	Q	98.8	Very high	98.2	Very high	71 Å²	71	15.8 Å²	15.8	33%	0.332	9%	0.091	S	C	.	.	H	α-helix	trans	-57.8	-51.3	173.9	-167.6	175.4	2.6	0	0	111.9	C95 P96 L97 A102 A103 L127 L148	C95-Q99 WeakPolarHBondContact O-CB 3.45Å; C95-Q99 PolarHBondContact O-N 3.49Å; P96-Q99 PolarHBondContact O-N 2.66Å; L97-Q99 PolarHBondContact O-N 3.46Å; Q99-A102 PolarHBondContact O-N 2.89Å; Q99-A103 WeakPolarHBondContact O-CB 3.24Å; Q99-A103 PolarHBondContact O-N 2.94Å; Q99-L127 HydrophobicContact CB-CD2 3.86Å; Q99-L127 HydrophobicContact CG-CD2 4.1Å; Q99-L148 HydrophobicContact CG-CD2 3.8Å; Q99-L148 WeakPolarHBondContact O-CD2 3.46Å
100	Y	98.8	Very high	98.3	Very high	131 Å²	131	15.2 Å²	15.2	51%	0.514	9%	0.085	S	C	.	.	H	α-helix	trans	-73	-33.2	-179.1	-81.6	-74.3	0	0	0	112.8	P96 L97 A103 A104 C254	P96-Y100 VanDerWaalsContact O-CD2 3.31Å; P96-Y100 WeakPolarHBondContact O-CD2 3.46Å; P96-Y100 PolarHBondContact O-N 3.39Å; P96-Y100 VanDerWaalsContact O-N 3.09Å; L97-Y100 PolarHBondContact O-N 2.7Å; Y100-A103 PolarHBondContact O-N 3.39Å; Y100-A104 VanDerWaalsContact O-CB 3.24Å; Y100-A104 WeakPolarHBondContact O-CB 3.39Å; Y100-A104 PolarHBondContact O-N 3.2Å; Y100-C254 WeakPolarHBondContact CE2-SG 3.23Å
101	L	98.9	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.8	-44.7	172.3	-64.2	-178.4	0	0	0	111.9	V85 V87 L97 A98 A104 G105 V106 L109 A257 V260 L261	V85-L101 HydrophobicContact CB-CD1 4.18Å; V85-L101 HydrophobicContact CG1-CD1 3.78Å; V85-L101 HydrophobicContact CG2-CD1 4.34Å; V87-L101 HydrophobicContact CG2-CD1 4.34Å; L97-L101 HydrophobicContact CD1-CD1 3.78Å; L97-L101 HydrophobicContact CD1-CD2 4.38Å; L97-L101 HydrophobicContact CD1-CG 3.97Å; L97-L101 HydrophobicContact CG-CD1 3.98Å; L97-L101 HydrophobicContact CG-CG 4.42Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.25Å; L97-L101 PolarHBondContact O-N 2.67Å; A98-L101 PolarHBondContact O-N 2.82Å; L101-A104 PolarHBondContact O-N 3.11Å; L101-G105 PolarHBondContact O-N 3.44Å; L101-V106 HydrophobicContact CB-CB 4.45Å; L101-V106 HydrophobicContact CB-CG2 4.01Å; L101-V106 HydrophobicContact CD2-CG2 4.14Å; L101-V106 WeakPolarHBondContact O-CG2 3.45Å; L101-V106 PolarHBondContact O-N 2.84Å; L101-V106 VanDerWaalsContact O-N 3.14Å; L101-L109 HydrophobicContact CB-CD1 4.21Å; L101-L109 HydrophobicContact CB-CD2 3.82Å; L101-L109 HydrophobicContact CD1-CD2 3.9Å; L101-A257 HydrophobicContact CD2-CB 4.44Å; L101-V260 HydrophobicContact CD1-CG1 4.05Å; L101-V260 HydrophobicContact CD2-CB 3.98Å; L101-V260 HydrophobicContact CD2-CG1 3.61Å; L101-V260 HydrophobicContact CG-CG1 4.49Å; L101-L261 HydrophobicContact CD2-CD2 3.7Å; L101-L261 HydrophobicContact CD2-CG 3.71Å
102	A	98.8	Very high	98.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.2	-43.8	176.9	0	0	0	0	0	111.4	A98 Q99 A104 G105 L109 L145 L148 N149 V152	A98-A102 WeakPolarHBondContact O-CB 3.47Å; A98-A102 PolarHBondContact O-N 3.17Å; Q99-A102 PolarHBondContact O-N 2.89Å; A102-A104 VanDerWaalsContact C-N 3.29Å; A102-A104 PolarHBondContact O-N 3.43Å; A102-G105 PolarHBondContact O-N 3.36Å; A102-G105 VanDerWaalsContact O-N 3.14Å; A102-L109 HydrophobicContact CB-CD1 3.9Å; A102-L145 HydrophobicContact CB-CB 4.17Å; A102-L145 HydrophobicContact CB-CD2 3.87Å; A102-L145 HydrophobicContact CB-CG 4.42Å; A102-L148 HydrophobicContact CB-CD2 4.44Å; A102-N149 WeakPolarHBondContact O-CB 3.32Å; A102-N149 PolarHBondContact O-ND2 3.26Å; A102-V152 HydrophobicContact CB-CG1 4.49Å; A102-V152 HydrophobicContact CB-CG2 4.48Å
103	A	98.6	Very high	98.4	Very high	40 Å²	40	14.7 Å²	14.7	33%	0.331	8%	0.077	S	C	.	.	H	α-helix	trans	-60	-39.1	177	0	0	0	0	0	112.4	Y63 Q99 Y100 G105 L148	Y63-A103 WeakPolarHBondContact CE1-O 3.24Å; Q99-A103 WeakPolarHBondContact O-CB 3.24Å; Q99-A103 PolarHBondContact O-N 2.94Å; Y100-A103 PolarHBondContact O-N 3.39Å; A103-G105 PolarHBondContact O-N 3.36Å; A103-L148 HydrophobicContact CB-CD2 4.21Å
104	A	98.7	Very high	98.2	Very high	8 Å²	8	17.5 Å²	17.5	7%	0.066	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-9.8	179.2	0	0	0	0	0	114	Q66 Q77 Y100 L101 A102 L261	Q66-A104 PolarHBondContact NE2-O 2.99Å; Q77-A104 PolarHBondContact NE2-O 2.91Å; Y100-A104 VanDerWaalsContact O-CB 3.24Å; Y100-A104 WeakPolarHBondContact O-CB 3.39Å; Y100-A104 PolarHBondContact O-N 3.2Å; L101-A104 PolarHBondContact O-N 3.11Å; A102-A104 VanDerWaalsContact C-N 3.29Å; A102-A104 PolarHBondContact O-N 3.43Å; A104-L261 HydrophobicContact CB-CD1 3.83Å; A104-L261 HydrophobicContact CB-CD2 3.61Å; A104-L261 HydrophobicContact CB-CG 4.4Å
105	G	98.3	Very high	98	Very high	3 Å²	3	18.5 Å²	18.5	3%	0.031	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	35.6	175.9	0	0	0	0	0	114.6	Y63 L80 A81 L101 A102 A103 G107	Y63-G105 VanDerWaalsContact OH-CA 3.25Å; Y63-G105 WeakPolarHBondContact OH-CA 3.48Å; L80-G105 CarbonylContact C-O 3.56Å; A81-G105 WeakPolarHBondContact CA-O 3.36Å; A81-G105 PolarHBondContact N-O 3.3Å; L101-G105 PolarHBondContact O-N 3.44Å; A102-G105 PolarHBondContact O-N 3.36Å; A102-G105 VanDerWaalsContact O-N 3.14Å; A103-G105 PolarHBondContact O-N 3.36Å; G105-G107 PolarHBondContact O-N 2.72Å
106	V	98.6	Very high	97.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.			trans	-58.5	133.4	166.4	172.7	0	0	0	0	109.5	L80 V85 L101 R108 L109 V152 L261	L80-V106 HydrophobicContact CD2-CG2 4.45Å; L80-V106 CarbonylContact O-C 3.57Å; L80-V106 VanDerWaalsContact O-CA 3.31Å; L80-V106 WeakPolarHBondContact O-CA 3.08Å; V85-V106 HydrophobicContact CG2-CG1 3.88Å; L101-V106 HydrophobicContact CB-CB 4.45Å; L101-V106 HydrophobicContact CB-CG2 4.01Å; L101-V106 HydrophobicContact CD2-CG2 4.14Å; L101-V106 WeakPolarHBondContact O-CG2 3.45Å; L101-V106 PolarHBondContact O-N 2.84Å; L101-V106 VanDerWaalsContact O-N 3.14Å; V106-R108 PolarHBondContact O-N 3.44Å; V106-L109 HydrophobicContact CB-CD2 4.07Å; V106-L109 HydrophobicContact CG1-CD2 3.68Å; V106-V152 VanDerWaalsContact O-CG1 3.24Å; V106-V152 WeakPolarHBondContact O-CG1 3.25Å; V106-V152 VanDerWaalsContact O-CG2 3.28Å; V106-V152 WeakPolarHBondContact O-CG2 3.3Å; V106-L261 HydrophobicContact CG2-CD2 3.78Å
107	G	98.2	Very high	97.7	Very high	10 Å²	10	21 Å²	21	10%	0.103	11%	0.108	C	C	.	.	S	Bend	trans	-60.1	-45.9	-174	0	0	0	0	0	113.8	L80 A81 A83 G105 E153	L80-G107 PolarHBondContact O-N 3.27Å; A81-G107 WeakPolarHBondContact O-CA 3.44Å; A83-G107 WeakPolarHBondContact O-CA 3.39Å; A83-G107 PolarHBondContact O-N 2.93Å; G105-G107 PolarHBondContact O-N 2.72Å; G107-E153 PolarHBondContact O-N 3.29Å
108	R	98.5	Very high	97.3	Very high	12 Å²	12	25.4 Å²	25.4	5%	0.045	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.2	179.7	-177.7	-177.2	-63.9	152.6	-3.8	113.4	S47 L49 A83 S84 V85 V106 E153 V155 Y173	S47-R108 PolarHBondContact O-NH1 3.44Å; S47-R108 PolarHBondContact O-NH2 2.89Å; L49-R108 HydrophobicContact CD1-CB 3.84Å; L49-R108 HydrophobicContact CD2-CB 4.22Å; L49-R108 HydrophobicContact CG-CB 4.29Å; A83-R108 PolarHBondContact O-N 3.44Å; A83-R108 VanDerWaalsContact O-N 3.08Å; S84-R108 WeakPolarHBondContact CA-O 3.27Å; V85-R108 PolarHBondContact N-O 2.93Å; V106-R108 PolarHBondContact O-N 3.44Å; R108-E153 CarbonylContact C-O 3.57Å; R108-E153 VanDerWaalsContact CA-O 3.29Å; R108-E153 WeakPolarHBondContact CA-O 3.25Å; R108-E153 HydrophobicContact CB-CB 4.27Å; R108-E153 HydrophobicContact CG-CB 4.24Å; R108-E153 HydrophobicContact CG-CG 4.43Å; R108-E153 IonicContact CZ-OE1 2.8Å; R108-E153 IonicContact CZ-OE2 3.05Å; R108-E153 VanDerWaalsContact NE-CD 3.27Å; R108-E153 IonicContact NE-OE1 3.09Å; R108-E153 PolarHBondContact NE-OE1 3.32Å; R108-E153 IonicContact NE-OE2 3.6Å; R108-E153 PolarHBondContact NE-OE2 3.27Å; R108-E153 IonicContact NH2-OE1 2.55Å; R108-E153 IonicContact NH2-OE2 2.95Å; R108-E153 PolarHBondContact NH2-OE2 3.33Å; R108-V155 HydrophobicContact CG-CG2 4.25Å; R108-Y173 HydrophobicContact CG-CE1 4.11Å
109	L	98.7	Very high	97	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.1	171.5	-57.2	179.6	0	0	0	110.3	V85 L101 A102 V106 L111 L145 V152 E153 C154 V155	V85-L109 HydrophobicContact CB-CD2 4Å; V85-L109 CarbonylContact O-C 3.56Å; V85-L109 WeakPolarHBondContact O-CA 3.22Å; L101-L109 HydrophobicContact CB-CD1 4.21Å; L101-L109 HydrophobicContact CB-CD2 3.82Å; L101-L109 HydrophobicContact CD1-CD2 3.9Å; A102-L109 HydrophobicContact CB-CD1 3.9Å; V106-L109 HydrophobicContact CB-CD2 4.07Å; V106-L109 HydrophobicContact CG1-CD2 3.68Å; L109-L111 HydrophobicContact CB-CD2 4.38Å; L109-L145 HydrophobicContact CD1-CD1 3.9Å; L109-V152 HydrophobicContact CD1-CG1 3.92Å; L109-V152 HydrophobicContact CG-CG1 3.85Å; L109-E153 PolarHBondContact N-O 2.96Å; L109-C154 WeakPolarHBondContact O-CA 3.45Å; L109-V155 PolarHBondContact O-N 3.11Å
110	G	98.4	Very high	96.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126.8	164.3	0	0	0	0	0	109.6	V85 V87 V155 Y173	V85-G110 PolarHBondContact O-N 2.83Å; V87-G110 PolarHBondContact N-O 3.05Å; G110-V155 CarbonylContact C-O 3.6Å; G110-V155 WeakPolarHBondContact CA-O 3.39Å; G110-Y173 VanDerWaalsContact CA-OH 3.26Å; G110-Y173 WeakPolarHBondContact CA-OH 3.42Å; G110-Y173 VanDerWaalsContact N-CE1 3.34Å
111	L	98.5	Very high	96.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	104.2	-174.8	-57.9	171.2	0	0	0	108.7	V87 A98 L109 A138 A141 A142 L145 C154 V155 Y157	V87-L111 HydrophobicContact CB-CD2 4.15Å; V87-L111 HydrophobicContact CG2-CD2 4.37Å; A98-L111 HydrophobicContact CB-CD2 4.08Å; L109-L111 HydrophobicContact CB-CD2 4.38Å; L111-A138 WeakPolarHBondContact O-CB 3.42Å; L111-A141 HydrophobicContact CD1-CB 4.07Å; L111-A142 HydrophobicContact CD1-CB 3.82Å; L111-L145 HydrophobicContact CD1-CD1 3.96Å; L111-L145 HydrophobicContact CD2-CD1 4.12Å; L111-C154 HydrophobicContact CD1-CB 4.43Å; L111-V155 PolarHBondContact N-O 3.29Å; L111-Y157 PolarHBondContact O-N 2.85Å
112	V	97.8	Very high	95.9	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.3	-178.5	-175.7	0	0	0	0	109.2	L86 V87 V88 G89 Y157 Q159 L161	L86-V112 HydrophobicContact CD1-CG2 3.59Å; L86-V112 HydrophobicContact CG-CG2 4.4Å; V87-V112 PolarHBondContact O-N 3.23Å; V88-V112 HydrophobicContact CG1-CB 4.49Å; G89-V112 WeakPolarHBondContact CA-O 3.45Å; G89-V112 PolarHBondContact N-O 3.01Å; V112-Y157 HydrophobicContact CG2-CD2 3.7Å; V112-Y157 HydrophobicContact CG2-CG 4.23Å; V112-Q159 WeakPolarHBondContact CG1-O 3.47Å; V112-L161 HydrophobicContact CG1-CB 4.4Å
113	D	96.4	Very high	95.7	Very high	11 Å²	11	30.7 Å²	30.7	6%	0.059	18%	0.183	C	C	.	.			trans	-159.6	133.2	172.2	-156	-52.1	0	0	0	110.1	C90 D115 K137 A138 Y157 T158 Q159	C90-D113 WeakPolarHBondContact CA-OD2 3.36Å; C90-D113 HydrophobicContact CB-CB 3.89Å; C90-D113 WeakPolarHBondContact CB-OD2 3.45Å; C90-D113 PolarHBondContact N-OD2 2.87Å; D113-D115 WeakPolarHBondContact OD1-CB 3.39Å; D113-D115 PolarHBondContact OD1-N 2.62Å; D113-K137 HydrophobicContact CB-CB 4.01Å; D113-A138 HydrophobicContact CB-CB 4.18Å; D113-Y157 PolarHBondContact N-O 2.84Å; D113-T158 CarbonylContact O-C 3.51Å; D113-T158 VanDerWaalsContact O-C 3.3Å; D113-T158 VanDerWaalsContact O-CA 3.25Å; D113-T158 WeakPolarHBondContact O-CA 3.27Å; D113-Q159 PolarHBondContact O-N 2.88Å
114	Y	93.4	Very high	95.5	Very high	70 Å²	70	31.3 Å²	31.3	28%	0.275	18%	0.176	S	C	.	.			trans	-92.4	-15.1	179.9	64.9	-94.6	0	0	0	113.2	A160 T321 D322	Y114-A160 HydrophobicContact CD1-CB 3.83Å; Y114-A160 HydrophobicContact CG-CB 4.1Å; Y114-T321 HydrophobicContact CE2-CG2 4.21Å; Y114-T321 VanDerWaalsContact OH-CA 3.27Å; Y114-T321 WeakPolarHBondContact OH-CA 3.38Å; Y114-D322 PolarHBondContact OH-N 3.48Å; Y114-D322 VanDerWaalsContact OH-N 3.09Å; Y114-D322 PolarHBondContact OH-OD1 3.38Å
115	D	93.6	Very high	95.4	Very high	23 Å²	23	31.2 Å²	31.2	12%	0.123	18%	0.175	C	C	.	.			trans	-85.1	169.9	-174.4	-82	-27.2	0	0	0	113	D113 A136 K137	D113-D115 WeakPolarHBondContact OD1-CB 3.39Å; D113-D115 PolarHBondContact OD1-N 2.62Å; D115-A136 WeakPolarHBondContact O-CA 3.45Å; D115-K137 HydrophobicContact CB-CD 3.71Å; D115-K137 VanDerWaalsContact CB-CE 3.49Å; D115-K137 HydrophobicContact CB-CG 4.22Å; D115-K137 VanDerWaalsContact CB-NZ 3.25Å; D115-K137 PolarHBondContact O-N 3.3Å; D115-K137 IonicContact OD2-NZ 3.21Å; D115-K137 PolarHBondContact OD2-NZ 2.73Å
116	V	95.6	Very high	95.2	Very high	58 Å²	58	35.5 Å²	35.5	35%	0.352	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-104.9	158.1	168.9	-60.8	0	0	0	0	111.4	E118 G134 Q135 K137	V116-E118 HydrophobicContact CG2-CG 4.44Å; V116-E118 PolarHBondContact O-N 3.01Å; V116-G134 WeakPolarHBondContact CG1-O 3.39Å; V116-Q135 CarbonylContact C-O 3.59Å; V116-Q135 VanDerWaalsContact CA-O 3.22Å; V116-Q135 WeakPolarHBondContact CA-O 3.47Å; V116-K137 WeakPolarHBondContact O-CE 3.19Å
117	V	95.6	Very high	95.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	20%	0.204	C	C	.	.			trans	-67.6	127.3	174.5	177.2	0	0	0	0	109.5	L122 H128 L132 A133 G134 Q135 K137	V117-L122 HydrophobicContact CG1-CD2 3.85Å; V117-H128 HydrophobicContact CG1-CB 3.88Å; V117-H128 HydrophobicContact CG2-CB 4.01Å; V117-L132 WeakPolarHBondContact CB-O 3.48Å; V117-A133 CarbonylContact O-C 3.58Å; V117-A133 WeakPolarHBondContact O-CA 3.31Å; V117-G134 PolarHBondContact O-N 3.35Å; V117-Q135 PolarHBondContact N-O 3.04Å; V117-K137 HydrophobicContact CG2-CG 4.2Å
118	E	91.3	Very high	95	Very high	92 Å²	92	36.6 Å²	36.6	43%	0.43	20%	0.203	S	C	.	.			trans	-121.7	150.3	177.3	-66.2	-176.4	-176.9	0	0	111.5	V116 S120 N121	V116-E118 HydrophobicContact CG2-CG 4.44Å; V116-E118 PolarHBondContact O-N 3.01Å; E118-S120 VanDerWaalsContact C-N 3.29Å; E118-S120 PolarHBondContact O-N 2.85Å; E118-S120 PolarHBondContact OE2-OG 3.05Å; E118-N121 HydrophobicContact CB-CB 4.37Å; E118-N121 VanDerWaalsContact O-CB 3.31Å; E118-N121 WeakPolarHBondContact O-CB 3.46Å; E118-N121 PolarHBondContact O-N 3.4Å
119	M	90.8	Very high	94.8	Very high	112 Å²	112	37.4 Å²	37.4	55%	0.552	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-59.3	-40.3	178.7	-68.5	-60.1	-65.2	0	0	112.4	N121 L122 E130	M119-N121 PolarHBondContact O-N 2.71Å; M119-L122 HydrophobicContact CE-CD1 4.21Å; M119-L122 PolarHBondContact O-N 3.39Å; M119-L122 HydrophobicContact SD-CD1 3.78Å; M119-E130 HydrophobicContact CE-CG 3.95Å; M119-E130 HydrophobicContact SD-CB 4.36Å; M119-E130 HydrophobicContact SD-CG 4.26Å
120	S	89.1	Confident	94.6	Very high	64 Å²	64	44.2 Å²	44.2	45%	0.448	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-59.2	-17.3	176.9	65.8	0	0	0	0	113.7	E118 R124	E118-S120 VanDerWaalsContact C-N 3.29Å; E118-S120 PolarHBondContact O-N 2.85Å; E118-S120 PolarHBondContact OE2-OG 3.05Å; S120-R124 PolarHBondContact O-NH1 3.23Å
121	N	91.9	Very high	94.4	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.053	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-98.9	-20.9	-173.3	-81.7	-150.6	0	0	0	112.6	E118 M119 A123 R124 Q125 K137	E118-N121 HydrophobicContact CB-CB 4.37Å; E118-N121 VanDerWaalsContact O-CB 3.31Å; E118-N121 WeakPolarHBondContact O-CB 3.46Å; E118-N121 PolarHBondContact O-N 3.4Å; M119-N121 PolarHBondContact O-N 2.71Å; N121-A123 VanDerWaalsContact C-N 3.26Å; N121-A123 PolarHBondContact O-N 3.34Å; N121-R124 PolarHBondContact ND2-NH2 2.82Å; N121-R124 VanDerWaalsContact ND2-NH2 3.15Å; N121-R124 PolarHBondContact O-N 2.81Å; N121-R124 VanDerWaalsContact O-N 3.13Å; N121-Q125 HydrophobicContact CB-CG 4.29Å; N121-Q125 WeakPolarHBondContact O-CB 3.4Å; N121-Q125 WeakPolarHBondContact O-CG 3.17Å; N121-Q125 PolarHBondContact O-N 3.36Å; N121-Q125 PolarHBondContact OD1-NE2 3.01Å; N121-K137 PolarHBondContact OD1-NZ 2.97Å
122	L	94.2	Very high	94	Very high	35 Å²	35	50.6 Å²	50.6	18%	0.183	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.1	-172.6	-63.5	-179.1	0	0	0	114.1	V117 M119 R124 H128 E130	V117-L122 HydrophobicContact CG1-CD2 3.85Å; M119-L122 HydrophobicContact CE-CD1 4.21Å; M119-L122 PolarHBondContact O-N 3.39Å; M119-L122 HydrophobicContact SD-CD1 3.78Å; L122-R124 PolarHBondContact O-N 2.95Å; L122-H128 HydrophobicContact CD2-CB 3.83Å; L122-E130 HydrophobicContact CD1-CB 4.23Å; L122-E130 HydrophobicContact CD1-CG 3.56Å
123	A	92.9	Very high	93.7	Very high	92 Å²	92	53 Å²	53	76%	0.76	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.9	175.6	0	0	0	0	0	113.9	N121	N121-A123 VanDerWaalsContact C-N 3.26Å; N121-A123 PolarHBondContact O-N 3.34Å
124	R	94.6	Very high	93.6	Very high	53 Å²	53	55 Å²	55	20%	0.2	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	-14.1	179.5	68.4	-170.7	178.6	-72.9	-4.9	114.8	G92 S120 N121 L122 G246	G92-R124 WeakPolarHBondContact CA-O 3.43Å; S120-R124 PolarHBondContact O-NH1 3.23Å; N121-R124 PolarHBondContact ND2-NH2 2.82Å; N121-R124 VanDerWaalsContact ND2-NH2 3.15Å; N121-R124 PolarHBondContact O-N 2.81Å; N121-R124 VanDerWaalsContact O-N 3.13Å; L122-R124 PolarHBondContact O-N 2.95Å; R124-G246 VanDerWaalsContact CB-CA 3.5Å
125	Q	96.4	Very high	93.7	Very high	6 Å²	6	56 Å²	56	3%	0.028	34%	0.344	C	S	.	.			trans	-105.2	71.2	-174.9	-60.8	-178.4	5.2	0	0	111.7	C95 N121 L127 H128	C95-Q125 VanDerWaalsContact SG-C 3.57Å; N121-Q125 HydrophobicContact CB-CG 4.29Å; N121-Q125 WeakPolarHBondContact O-CB 3.4Å; N121-Q125 WeakPolarHBondContact O-CG 3.17Å; N121-Q125 PolarHBondContact O-N 3.36Å; N121-Q125 PolarHBondContact OD1-NE2 3.01Å; Q125-L127 VanDerWaalsContact C-N 3.25Å; Q125-L127 PolarHBondContact O-N 3.06Å; Q125-L127 VanDerWaalsContact O-N 3.14Å; Q125-H128 PolarHBondContact O-N 3.42Å; Q125-H128 VanDerWaalsContact O-N 3.07Å; Q125-H128 PolarHBondContact OE1-CD2 3.38Å
126	V	95.4	Very high	93.8	Very high	94 Å²	94	55.9 Å²	55.9	57%	0.57	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-1.7	-165.4	-59.5	0	0	0	0	115.8	C95 H128	C95-V126 HydrophobicContact CB-CG2 4.4Å; V126-H128 VanDerWaalsContact C-N 3.35Å
127	L	95.5	Very high	94	Very high	14 Å²	14	53.4 Å²	53.4	7%	0.073	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-19.9	167.1	-77.3	-175.8	0	0	0	112.9	C95 A98 Q99 Q125 A141 S144 L145	C95-L127 HydrophobicContact CB-CB 4.1Å; C95-L127 HydrophobicContact CB-CD1 4.27Å; C95-L127 HydrophobicContact CB-CG 3.87Å; C95-L127 VanDerWaalsContact O-CD1 3.3Å; C95-L127 WeakPolarHBondContact O-CD1 3.21Å; C95-L127 WeakPolarHBondContact O-CG 3.47Å; A98-L127 HydrophobicContact CB-CD1 4.2Å; Q99-L127 HydrophobicContact CB-CD2 3.86Å; Q99-L127 HydrophobicContact CG-CD2 4.1Å; Q125-L127 VanDerWaalsContact C-N 3.25Å; Q125-L127 PolarHBondContact O-N 3.06Å; Q125-L127 VanDerWaalsContact O-N 3.14Å; L127-A141 HydrophobicContact CD1-CB 4.15Å; L127-S144 WeakPolarHBondContact O-CB 3.49Å; L127-S144 PolarHBondContact O-OG 2.91Å; L127-L145 HydrophobicContact CD1-CD2 3.97Å; L127-L145 HydrophobicContact CD1-CG 4.33Å; L127-L145 HydrophobicContact CD2-CD2 3.92Å
128	H	97.6	Very high	94.1	Very high	19 Å²	19	53.4 Å²	53.4	9%	0.088	33%	0.331	C	S	.	.			trans	-93.8	170.6	-178.9	-52.7	-43.3	0	0	0	110.8	C90 V117 L122 Q125 V126 K137 S140	C90-H128 PolarHBondContact O-NE2 3.22Å; V117-H128 HydrophobicContact CG1-CB 3.88Å; V117-H128 HydrophobicContact CG2-CB 4.01Å; L122-H128 HydrophobicContact CD2-CB 3.83Å; Q125-H128 PolarHBondContact O-N 3.42Å; Q125-H128 VanDerWaalsContact O-N 3.07Å; Q125-H128 PolarHBondContact OE1-CD2 3.38Å; V126-H128 VanDerWaalsContact C-N 3.35Å; H128-K137 PolarHBondContact CE1-O 2.75Å; H128-S140 WeakPolarHBondContact ND1-CB 3.42Å; H128-S140 PolarHBondContact ND1-OG 2.8Å
129	G	93.3	Very high	94.4	Very high	28 Å²	28	53.1 Å²	53.1	29%	0.289	33%	0.332	S	S	.	.			trans	-148.6	162.2	175.6	0	0	0	0	0	110.9	A131 L132	G129-A131 PolarHBondContact O-N 3.41Å; G129-L132 WeakPolarHBondContact O-CB 3.33Å; G129-L132 PolarHBondContact O-N 3.35Å
130	E	94.7	Very high	94.8	Very high	143 Å²	143	47.8 Å²	47.8	67%	0.668	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-54	-40.2	-175.7	-62.1	-179.2	-174.9	0	0	112.7	M119 L122 L132 A133	M119-E130 HydrophobicContact CE-CG 3.95Å; M119-E130 HydrophobicContact SD-CB 4.36Å; M119-E130 HydrophobicContact SD-CG 4.26Å; L122-E130 HydrophobicContact CD1-CB 4.23Å; L122-E130 HydrophobicContact CD1-CG 3.56Å; E130-L132 PolarHBondContact O-N 3.46Å; E130-A133 WeakPolarHBondContact O-CB 2.82Å; E130-A133 PolarHBondContact O-N 2.96Å; E130-A133 VanDerWaalsContact O-N 3.13Å
131	A	93.1	Very high	95.2	Very high	97 Å²	97	44.8 Å²	44.8	80%	0.802	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-63.8	-11.6	178.6	0	0	0	0	0	114.5	G129	G129-A131 PolarHBondContact O-N 3.41Å
132	L	91.2	Very high	95.5	Very high	37 Å²	37	44.3 Å²	44.3	19%	0.194	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-105.2	7.6	-178.8	-53.7	175.7	0	0	0	112.4	V117 G129 E130 G134 Q135 S140	V117-L132 WeakPolarHBondContact CB-O 3.48Å; G129-L132 WeakPolarHBondContact O-CB 3.33Å; G129-L132 PolarHBondContact O-N 3.35Å; E130-L132 PolarHBondContact O-N 3.46Å; L132-G134 PolarHBondContact O-N 3.06Å; L132-Q135 VanDerWaalsContact O-CB 3.27Å; L132-Q135 WeakPolarHBondContact O-CB 3.26Å; L132-Q135 WeakPolarHBondContact O-CG 3.33Å; L132-Q135 PolarHBondContact O-N 3.25Å; L132-S140 WeakPolarHBondContact CD1-OG 3.35Å
133	A	92.3	Very high	95.7	Very high	53 Å²	53	44.4 Å²	44.4	44%	0.438	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	134.4	176.1	0	0	0	0	0	111.4	V117 E130 Q135	V117-A133 CarbonylContact O-C 3.58Å; V117-A133 WeakPolarHBondContact O-CA 3.31Å; E130-A133 WeakPolarHBondContact O-CB 2.82Å; E130-A133 PolarHBondContact O-N 2.96Å; E130-A133 VanDerWaalsContact O-N 3.13Å; A133-Q135 VanDerWaalsContact C-N 3.27Å; A133-Q135 PolarHBondContact O-N 3.04Å
134	G	92.3	Very high	95.9	Very high	53 Å²	53	40.7 Å²	40.7	55%	0.546	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-9	-175.7	0	0	0	0	0	115.4	V116 V117 L132	V116-G134 WeakPolarHBondContact CG1-O 3.39Å; V117-G134 PolarHBondContact O-N 3.35Å; L132-G134 PolarHBondContact O-N 3.06Å
135	Q	95.6	Very high	96.1	Very high	92 Å²	92	38.1 Å²	38.1	43%	0.43	25%	0.247	S	C	.	.	S	Bend	trans	-80.6	148.3	173.3	-60.2	-172.9	10.9	0	0	111.2	V116 V117 L132 A133 K137	V116-Q135 CarbonylContact C-O 3.59Å; V116-Q135 VanDerWaalsContact CA-O 3.22Å; V116-Q135 WeakPolarHBondContact CA-O 3.47Å; V117-Q135 PolarHBondContact N-O 3.04Å; L132-Q135 VanDerWaalsContact O-CB 3.27Å; L132-Q135 WeakPolarHBondContact O-CB 3.26Å; L132-Q135 WeakPolarHBondContact O-CG 3.33Å; L132-Q135 PolarHBondContact O-N 3.25Å; A133-Q135 VanDerWaalsContact C-N 3.27Å; A133-Q135 PolarHBondContact O-N 3.04Å; Q135-K137 PolarHBondContact O-N 3.33Å
136	A	97.6	Very high	96.2	Very high	21 Å²	21	43.5 Å²	43.5	17%	0.174	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-57.4	130.5	176.2	0	0	0	0	0	111.4	D115 A138 L139 S140 T158	D115-A136 WeakPolarHBondContact O-CA 3.45Å; A136-A138 VanDerWaalsContact C-N 3.29Å; A136-A138 PolarHBondContact O-N 2.67Å; A136-L139 HydrophobicContact CB-CB 4.39Å; A136-L139 HydrophobicContact CB-CD1 4.06Å; A136-L139 HydrophobicContact CB-CG 4.25Å; A136-L139 PolarHBondContact O-N 3.31Å; A136-L139 VanDerWaalsContact O-N 3.11Å; A136-S140 PolarHBondContact O-N 2.98Å; A136-T158 HydrophobicContact CB-CG2 3.65Å
137	K	98.1	Very high	96.3	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-57	-42.6	-176.6	-70.8	-177.1	-173.2	154.8	0	111.5	C90 D113 D115 V116 V117 N121 H128 Q135 L139 S140 A141	C90-K137 HydrophobicContact CB-CB 4.05Å; D113-K137 HydrophobicContact CB-CB 4.01Å; D115-K137 HydrophobicContact CB-CD 3.71Å; D115-K137 VanDerWaalsContact CB-CE 3.49Å; D115-K137 HydrophobicContact CB-CG 4.22Å; D115-K137 VanDerWaalsContact CB-NZ 3.25Å; D115-K137 PolarHBondContact O-N 3.3Å; D115-K137 IonicContact OD2-NZ 3.21Å; D115-K137 PolarHBondContact OD2-NZ 2.73Å; V116-K137 WeakPolarHBondContact O-CE 3.19Å; V117-K137 HydrophobicContact CG2-CG 4.2Å; N121-K137 PolarHBondContact OD1-NZ 2.97Å; H128-K137 PolarHBondContact CE1-O 2.75Å; Q135-K137 PolarHBondContact O-N 3.33Å; K137-L139 PolarHBondContact O-N 2.99Å; K137-S140 PolarHBondContact O-N 3.1Å; K137-A141 WeakPolarHBondContact O-CB 3.42Å; K137-A141 PolarHBondContact O-N 3.29Å
138	A	98	Very high	96.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.3	-42.7	177.8	0	0	0	0	0	112.9	L111 D113 A136 A142 P156 T158	L111-A138 WeakPolarHBondContact O-CB 3.42Å; D113-A138 HydrophobicContact CB-CB 4.18Å; A136-A138 VanDerWaalsContact C-N 3.29Å; A136-A138 PolarHBondContact O-N 2.67Å; A138-A142 WeakPolarHBondContact O-CB 3.5Å; A138-A142 PolarHBondContact O-N 3.03Å; A138-P156 HydrophobicContact CB-CB 4.04Å; A138-T158 HydrophobicContact CB-CG2 4.34Å
139	L	97.9	Very high	96.4	Very high	87 Å²	87	49.5 Å²	49.5	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-69.1	-44	177.1	-69	173.4	0	0	0	111.6	A136 K137 A142 A143 P156 T158	A136-L139 HydrophobicContact CB-CB 4.39Å; A136-L139 HydrophobicContact CB-CD1 4.06Å; A136-L139 HydrophobicContact CB-CG 4.25Å; A136-L139 PolarHBondContact O-N 3.31Å; A136-L139 VanDerWaalsContact O-N 3.11Å; K137-L139 PolarHBondContact O-N 2.99Å; L139-A142 PolarHBondContact O-N 2.98Å; L139-A143 PolarHBondContact O-N 3.26Å; L139-P156 HydrophobicContact CD2-CB 3.88Å; L139-P156 HydrophobicContact CD2-CG 3.6Å; L139-P156 HydrophobicContact CG-CB 4.47Å; L139-T158 HydrophobicContact CD1-CG2 3.95Å; L139-T158 HydrophobicContact CD2-CG2 4.43Å; L139-T158 HydrophobicContact CG-CG2 3.72Å
140	S	98.2	Very high	96.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.6	-48.3	176.9	178.3	0	0	0	0	111.4	H128 L132 A136 K137 A143 S144	H128-S140 WeakPolarHBondContact ND1-CB 3.42Å; H128-S140 PolarHBondContact ND1-OG 2.8Å; L132-S140 WeakPolarHBondContact CD1-OG 3.35Å; A136-S140 PolarHBondContact O-N 2.98Å; K137-S140 PolarHBondContact O-N 3.1Å; S140-A143 PolarHBondContact O-N 3.49Å; S140-S144 PolarHBondContact O-N 2.97Å; S140-S144 PolarHBondContact O-OG 2.98Å
141	A	98.4	Very high	96.6	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-59.7	-50.1	175.4	0	0	0	0	0	111.2	C90 L111 L127 K137 A143 S144 L145	C90-A141 HydrophobicContact CB-CB 4.29Å; L111-A141 HydrophobicContact CD1-CB 4.07Å; L127-A141 HydrophobicContact CD1-CB 4.15Å; K137-A141 WeakPolarHBondContact O-CB 3.42Å; K137-A141 PolarHBondContact O-N 3.29Å; A141-A143 VanDerWaalsContact C-N 3.29Å; A141-A143 PolarHBondContact O-N 2.97Å; A141-S144 PolarHBondContact O-N 3.13Å; A141-S144 VanDerWaalsContact O-N 3.09Å; A141-L145 VanDerWaalsContact O-CG 3.28Å; A141-L145 WeakPolarHBondContact O-CG 3.47Å; A141-L145 PolarHBondContact O-N 3.04Å
142	A	98.3	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56	-42.9	178.5	0	0	0	0	0	112.3	L111 A138 L139 L145 R146 C154 P156	L111-A142 HydrophobicContact CD1-CB 3.82Å; A138-A142 WeakPolarHBondContact O-CB 3.5Å; A138-A142 PolarHBondContact O-N 3.03Å; L139-A142 PolarHBondContact O-N 2.98Å; A142-L145 PolarHBondContact O-N 2.96Å; A142-R146 WeakPolarHBondContact O-CB 3.5Å; A142-R146 VanDerWaalsContact O-CG 3.26Å; A142-R146 WeakPolarHBondContact O-CG 3.46Å; A142-R146 PolarHBondContact O-N 3.15Å; A142-C154 HydrophobicContact CB-CB 3.99Å; A142-P156 HydrophobicContact CB-CB 4.19Å; A142-P156 HydrophobicContact CB-CG 4.27Å
143	A	97.7	Very high	97.1	Very high	37 Å²	37	46.4 Å²	46.4	31%	0.306	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-44.2	176.9	0	0	0	0	0	111.9	L139 S140 A141 R146 R147	L139-A143 PolarHBondContact O-N 3.26Å; S140-A143 PolarHBondContact O-N 3.49Å; A141-A143 VanDerWaalsContact C-N 3.29Å; A141-A143 PolarHBondContact O-N 2.97Å; A143-R146 PolarHBondContact O-N 3.37Å; A143-R147 WeakPolarHBondContact O-CG 3.31Å; A143-R147 PolarHBondContact O-N 3.44Å; A143-R147 PolarHBondContact O-NH1 3.47Å
144	S	98.1	Very high	97.4	Very high	13 Å²	13	44.2 Å²	44.2	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-43.5	177	-69.5	0	0	0	0	112.8	L127 S140 A141 R147 L148	L127-S144 WeakPolarHBondContact O-CB 3.49Å; L127-S144 PolarHBondContact O-OG 2.91Å; S140-S144 PolarHBondContact O-N 2.97Å; S140-S144 PolarHBondContact O-OG 2.98Å; A141-S144 PolarHBondContact O-N 3.13Å; A141-S144 VanDerWaalsContact O-N 3.09Å; S144-R147 PolarHBondContact O-N 3.33Å; S144-R147 PolarHBondContact OG-NH2 3.28Å; S144-L148 PolarHBondContact O-N 2.79Å
145	L	98.6	Very high	97.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.2	-37.8	179.1	-61.2	177.1	0	0	0	112.4	A98 A102 L109 L111 L127 A141 A142 R147 L148 N149	A98-L145 HydrophobicContact CB-CD1 3.72Å; A98-L145 HydrophobicContact CB-CD2 4.31Å; A98-L145 WeakPolarHBondContact O-CD2 3.28Å; A102-L145 HydrophobicContact CB-CB 4.17Å; A102-L145 HydrophobicContact CB-CD2 3.87Å; A102-L145 HydrophobicContact CB-CG 4.42Å; L109-L145 HydrophobicContact CD1-CD1 3.9Å; L111-L145 HydrophobicContact CD1-CD1 3.96Å; L111-L145 HydrophobicContact CD2-CD1 4.12Å; L127-L145 HydrophobicContact CD1-CD2 3.97Å; L127-L145 HydrophobicContact CD1-CG 4.33Å; L127-L145 HydrophobicContact CD2-CD2 3.92Å; A141-L145 VanDerWaalsContact O-CG 3.28Å; A141-L145 WeakPolarHBondContact O-CG 3.47Å; A141-L145 PolarHBondContact O-N 3.04Å; A142-L145 PolarHBondContact O-N 2.96Å; L145-R147 VanDerWaalsContact C-N 3.31Å; L145-R147 PolarHBondContact O-N 2.93Å; L145-L148 WeakPolarHBondContact O-CB 3.44Å; L145-L148 PolarHBondContact O-N 2.96Å; L145-L148 VanDerWaalsContact O-N 3.1Å; L145-N149 PolarHBondContact O-N 3.07Å
146	R	97.7	Very high	97.7	Very high	118 Å²	118	39.4 Å²	39.4	45%	0.445	21%	0.213	S	C	.	.	H	α-helix	trans	-63.9	-34.6	174.5	-73.1	175.7	-164.4	137.6	1.7	112.7	A142 A143 L148 S150 C154	A142-R146 WeakPolarHBondContact O-CB 3.5Å; A142-R146 VanDerWaalsContact O-CG 3.26Å; A142-R146 WeakPolarHBondContact O-CG 3.46Å; A142-R146 PolarHBondContact O-N 3.15Å; A143-R146 PolarHBondContact O-N 3.37Å; R146-L148 VanDerWaalsContact C-N 3.31Å; R146-S150 PolarHBondContact O-N 2.77Å; R146-C154 HydrophobicContact CG-CB 4.36Å; R146-C154 PolarHBondContact NH2-O 3.4Å
147	R	97.5	Very high	97.7	Very high	175 Å²	175	38.7 Å²	38.7	66%	0.66	21%	0.206	S	C	*	.	H	α-helix	trans	-65.6	-35.7	172.3	-69.6	-167.6	-54.1	-83.4	1.3	111.9	A143 S144 L145	A143-R147 WeakPolarHBondContact O-CG 3.31Å; A143-R147 PolarHBondContact O-N 3.44Å; A143-R147 PolarHBondContact O-NH1 3.47Å; S144-R147 PolarHBondContact O-N 3.33Å; S144-R147 PolarHBondContact OG-NH2 3.28Å; L145-R147 VanDerWaalsContact C-N 3.31Å; L145-R147 PolarHBondContact O-N 2.93Å
148	L	98	Very high	97.6	Very high	78 Å²	78	41.7 Å²	41.7	41%	0.408	23%	0.225	S	C	.	.	H	α-helix	trans	-73.1	-49.4	179	177.4	62.4	0	0	0	112.2	Q99 A102 A103 S144 L145 R146	Q99-L148 HydrophobicContact CG-CD2 3.8Å; Q99-L148 WeakPolarHBondContact O-CD2 3.46Å; A102-L148 HydrophobicContact CB-CD2 4.44Å; A103-L148 HydrophobicContact CB-CD2 4.21Å; S144-L148 PolarHBondContact O-N 2.79Å; L145-L148 WeakPolarHBondContact O-CB 3.44Å; L145-L148 PolarHBondContact O-N 2.96Å; L145-L148 VanDerWaalsContact O-N 3.1Å; R146-L148 VanDerWaalsContact C-N 3.31Å
149	N	98.3	Very high	97.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.233	C	C	.	.			trans	-148.3	96.6	-178.7	-169.9	-5	0	0	0	111	R62 Y63 A102 L145 A151 V152	R62-N149 PolarHBondContact NH1-OD1 3.49Å; Y63-N149 PolarHBondContact OH-ND2 2.94Å; A102-N149 WeakPolarHBondContact O-CB 3.32Å; A102-N149 PolarHBondContact O-ND2 3.26Å; L145-N149 PolarHBondContact O-N 3.07Å; N149-A151 PolarHBondContact O-N 3.06Å; N149-A151 VanDerWaalsContact O-N 3.15Å; N149-A151 WeakPolarHBondContact OD1-CB 3.21Å; N149-A151 PolarHBondContact OD1-N 3.18Å; N149-V152 HydrophobicContact CB-CG2 4.12Å; N149-V152 PolarHBondContact O-N 3.27Å
150	S	96.6	Very high	96.9	Very high	98 Å²	98	41.3 Å²	41.3	69%	0.685	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-8.3	-178.8	62.4	0	0	0	0	114.8	R146 V152	R146-S150 PolarHBondContact O-N 2.77Å; S150-V152 VanDerWaalsContact C-N 3.28Å
151	A	95	Very high	96.5	Very high	58 Å²	58	41.9 Å²	41.9	48%	0.479	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.6	175.3	0	0	0	0	0	112.9	N149	N149-A151 PolarHBondContact O-N 3.06Å; N149-A151 VanDerWaalsContact O-N 3.15Å; N149-A151 WeakPolarHBondContact OD1-CB 3.21Å; N149-A151 PolarHBondContact OD1-N 3.18Å
152	V	97.6	Very high	96.3	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.036	25%	0.245	C	C	.	.	S	Bend	trans	-93	125	-177.9	176.4	0	0	0	0	110.2	A102 V106 L109 N149 S150 C154	A102-V152 HydrophobicContact CB-CG1 4.49Å; A102-V152 HydrophobicContact CB-CG2 4.48Å; V106-V152 VanDerWaalsContact O-CG1 3.24Å; V106-V152 WeakPolarHBondContact O-CG1 3.25Å; V106-V152 VanDerWaalsContact O-CG2 3.28Å; V106-V152 WeakPolarHBondContact O-CG2 3.3Å; L109-V152 HydrophobicContact CD1-CG1 3.92Å; L109-V152 HydrophobicContact CG-CG1 3.85Å; N149-V152 HydrophobicContact CB-CG2 4.12Å; N149-V152 PolarHBondContact O-N 3.27Å; S150-V152 VanDerWaalsContact C-N 3.28Å; V152-C154 PolarHBondContact O-N 2.96Å
153	E	97.8	Very high	96	Very high	78 Å²	78	46.8 Å²	46.8	36%	0.364	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	108.3	175.3	-170.6	-171.7	163.9	0	0	110.2	G107 R108 L109 V155	G107-E153 PolarHBondContact O-N 3.29Å; R108-E153 CarbonylContact C-O 3.57Å; R108-E153 VanDerWaalsContact CA-O 3.29Å; R108-E153 WeakPolarHBondContact CA-O 3.25Å; R108-E153 HydrophobicContact CB-CB 4.27Å; R108-E153 HydrophobicContact CG-CB 4.24Å; R108-E153 HydrophobicContact CG-CG 4.43Å; R108-E153 IonicContact CZ-OE1 2.8Å; R108-E153 IonicContact CZ-OE2 3.05Å; R108-E153 VanDerWaalsContact NE-CD 3.27Å; R108-E153 IonicContact NE-OE1 3.09Å; R108-E153 PolarHBondContact NE-OE1 3.32Å; R108-E153 IonicContact NE-OE2 3.6Å; R108-E153 PolarHBondContact NE-OE2 3.27Å; R108-E153 IonicContact NH2-OE1 2.55Å; R108-E153 IonicContact NH2-OE2 2.95Å; R108-E153 PolarHBondContact NH2-OE2 3.33Å; L109-E153 PolarHBondContact N-O 2.96Å; E153-V155 HydrophobicContact CG-CG2 4.17Å
154	C	98	Very high	95.7	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.047	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.8	176.6	-58.9	0	0	0	0	110.4	L109 L111 A142 R146 V152 P156	L109-C154 WeakPolarHBondContact O-CA 3.45Å; L111-C154 HydrophobicContact CD1-CB 4.43Å; A142-C154 HydrophobicContact CB-CB 3.99Å; R146-C154 HydrophobicContact CG-CB 4.36Å; R146-C154 PolarHBondContact NH2-O 3.4Å; V152-C154 PolarHBondContact O-N 2.96Å; C154-P156 WeakPolarHBondContact O-CD 3.4Å
155	V	97.9	Very high	95.4	Very high	13 Å²	13	49.9 Å²	49.9	8%	0.079	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	102.8	-179.1	-173.1	0	0	0	0	109.5	R108 L109 G110 L111 E153 Y157	R108-V155 HydrophobicContact CG-CG2 4.25Å; L109-V155 PolarHBondContact O-N 3.11Å; G110-V155 CarbonylContact C-O 3.6Å; G110-V155 WeakPolarHBondContact CA-O 3.39Å; L111-V155 PolarHBondContact N-O 3.29Å; E153-V155 HydrophobicContact CG-CG2 4.17Å; V155-Y157 HydrophobicContact CB-CE2 4.38Å; V155-Y157 HydrophobicContact CG1-CE1 4.1Å; V155-Y157 HydrophobicContact CG1-CE2 3.97Å
156	P	97.5	Very high	95.2	Very high	30 Å²	30	49.9 Å²	49.9	20%	0.195	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	135.9	179	31.7	-32	0	0	0	111.9	A138 L139 A142 C154	A138-P156 HydrophobicContact CB-CB 4.04Å; L139-P156 HydrophobicContact CD2-CB 3.88Å; L139-P156 HydrophobicContact CD2-CG 3.6Å; L139-P156 HydrophobicContact CG-CB 4.47Å; A142-P156 HydrophobicContact CB-CB 4.19Å; A142-P156 HydrophobicContact CB-CG 4.27Å; C154-P156 WeakPolarHBondContact O-CD 3.4Å
157	Y	97.1	Very high	95.1	Very high	6 Å²	6	45.5 Å²	45.5	2%	0.024	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	106.6	170.4	-54.9	-80.8	0	0	0	108.3	V46 L86 L111 V112 D113 V155 Q159 L169 Y173	V46-Y157 WeakPolarHBondContact CG2-OH 3.39Å; L86-Y157 HydrophobicContact CD1-CE2 4.4Å; L111-Y157 PolarHBondContact O-N 2.85Å; V112-Y157 HydrophobicContact CG2-CD2 3.7Å; V112-Y157 HydrophobicContact CG2-CG 4.23Å; D113-Y157 PolarHBondContact N-O 2.84Å; V155-Y157 HydrophobicContact CB-CE2 4.38Å; V155-Y157 HydrophobicContact CG1-CE1 4.1Å; V155-Y157 HydrophobicContact CG1-CE2 3.97Å; Y157-Q159 PolarHBondContact O-N 2.68Å; Y157-Q159 VanDerWaalsContact O-N 3.08Å; Y157-L169 HydrophobicContact CD1-CD2 4.08Å; Y157-L169 HydrophobicContact CD2-CD2 4.41Å; Y157-L169 HydrophobicContact CE1-CD2 3.63Å; Y157-L169 HydrophobicContact CE2-CD2 3.98Å; Y157-L169 HydrophobicContact CG-CD2 4.44Å; Y157-Y173 HydrophobicContact CE2-CE2 4.37Å; Y157-Y173 VanDerWaalsContact CE2-OH 3.3Å; Y157-Y173 WeakPolarHBondContact CE2-OH 3.49Å; Y157-Y173 PolarHBondContact OH-OH 3.33Å
158	T	95.6	Very high	94.9	Very high	70 Å²	70	40.3 Å²	40.3	43%	0.429	26%	0.256	S	S	.	.			trans	-84.8	35.3	-175.2	55.5	0	0	0	0	112.7	D113 A136 A138 L139	D113-T158 CarbonylContact O-C 3.51Å; D113-T158 VanDerWaalsContact O-C 3.3Å; D113-T158 VanDerWaalsContact O-CA 3.25Å; D113-T158 WeakPolarHBondContact O-CA 3.27Å; A136-T158 HydrophobicContact CB-CG2 3.65Å; A138-T158 HydrophobicContact CB-CG2 4.34Å; L139-T158 HydrophobicContact CD1-CG2 3.95Å; L139-T158 HydrophobicContact CD2-CG2 4.43Å; L139-T158 HydrophobicContact CG-CG2 3.72Å
159	Q	90.8	Very high	94.8	Very high	39 Å²	39	36.6 Å²	36.6	18%	0.182	24%	0.236	C	C	.	.	S	Bend	trans	-134.6	156.7	-171.9	62.4	177.7	98.8	0	0	110.6	V112 D113 Y157	V112-Q159 WeakPolarHBondContact CG1-O 3.47Å; D113-Q159 PolarHBondContact O-N 2.88Å; Y157-Q159 PolarHBondContact O-N 2.68Å; Y157-Q159 VanDerWaalsContact O-N 3.08Å
160	A	90.4	Very high	94.7	Very high	39 Å²	39	36.6 Å²	36.6	32%	0.322	24%	0.236	S	C	.	.			trans	-70.3	147.6	172.7	0	0	0	0	0	109.1	Y114 T162	Y114-A160 HydrophobicContact CD1-CB 3.83Å; Y114-A160 HydrophobicContact CG-CB 4.1Å; A160-T162 PolarHBondContact O-N 3.31Å
161	L	90.7	Very high	94.7	Very high	13 Å²	13	38 Å²	38	7%	0.068	23%	0.227	C	C	.	.			trans	-73.9	123.3	169.3	-163.4	70.2	0	0	0	107.9	V88 V112 A166 L169 L188 I189	V88-L161 HydrophobicContact CG1-CB 4.33Å; V88-L161 HydrophobicContact CG1-CD2 4.1Å; V88-L161 HydrophobicContact CG2-CD2 4.26Å; V112-L161 HydrophobicContact CG1-CB 4.4Å; L161-A166 HydrophobicContact CD1-CB 3.89Å; L161-A166 HydrophobicContact CD2-CB 4.01Å; L161-A166 HydrophobicContact CG-CB 3.71Å; L161-L169 HydrophobicContact CD1-CB 4.49Å; L161-L169 HydrophobicContact CD1-CD1 3.71Å; L161-L188 HydrophobicContact CB-CD2 4.31Å; L161-L188 HydrophobicContact CD2-CD2 4.26Å; L161-L188 HydrophobicContact CD2-CG 4.46Å; L161-L188 HydrophobicContact CG-CD2 4.09Å; L161-L188 VanDerWaalsContact O-CD2 3.31Å; L161-L188 WeakPolarHBondContact O-CD2 3.42Å; L161-I189 HydrophobicContact CD2-CD1 4.37Å; L161-I189 HydrophobicContact CD2-CG1 3.52Å
162	T	92.6	Very high	94.7	Very high	52 Å²	52	38.5 Å²	38.5	32%	0.319	22%	0.216	S	C	.	.			trans	-123	160.9	-177.1	68.5	0	0	0	0	110.4	A160 A164 T165 A166	A160-T162 PolarHBondContact O-N 3.31Å; T162-A164 PolarHBondContact O-N 3.39Å; T162-A164 VanDerWaalsContact O-N 3.15Å; T162-A164 PolarHBondContact OG1-N 2.9Å; T162-T165 PolarHBondContact N-OG1 3.49Å; T162-T165 PolarHBondContact O-N 3.3Å; T162-T165 PolarHBondContact O-OG1 3.34Å; T162-T165 PolarHBondContact OG1-N 2.77Å; T162-T165 PolarHBondContact OG1-OG1 3.19Å; T162-A166 WeakPolarHBondContact O-CB 3.48Å; T162-A166 PolarHBondContact O-N 3.09Å
163	P	93	Very high	94.7	Very high	52 Å²	52	38.2 Å²	38.2	34%	0.338	21%	0.214	S	C	.	.	H	α-helix	trans	-51.6	-36.8	172.6	-27.7	36.4	0	0	0	113.1	T165 L188 L309 L310 Y312	P163-T165 PolarHBondContact O-N 3.28Å; P163-L188 HydrophobicContact CG-CD1 4.33Å; P163-L309 HydrophobicContact CB-CB 3.9Å; P163-L309 VanDerWaalsContact O-CD1 3.28Å; P163-L309 WeakPolarHBondContact O-CD1 3.47Å; P163-L310 WeakPolarHBondContact CB-O 3.24Å; P163-L310 WeakPolarHBondContact CG-O 3.47Å; P163-Y312 HydrophobicContact CG-CD2 4.15Å
164	A	90.5	Very high	94.7	Very high	93 Å²	93	37.5 Å²	37.5	77%	0.769	21%	0.213	S	C	*	.	H	α-helix	trans	-69.1	-29	-179.5	0	0	0	0	0	113.9	T162	T162-A164 PolarHBondContact O-N 3.39Å; T162-A164 VanDerWaalsContact O-N 3.15Å; T162-A164 PolarHBondContact OG1-N 2.9Å
165	T	91.4	Very high	94.8	Very high	21 Å²	21	37.3 Å²	37.3	13%	0.129	21%	0.212	C	C	.	.	H	α-helix	trans	-110.9	-23.3	-172.9	57.6	0	0	0	0	113.7	L43 T162 P163 L167 D168 L169	L43-T165 HydrophobicContact CD2-CG2 4.5Å; T162-T165 PolarHBondContact N-OG1 3.49Å; T162-T165 PolarHBondContact O-N 3.3Å; T162-T165 PolarHBondContact O-OG1 3.34Å; T162-T165 PolarHBondContact OG1-N 2.77Å; T162-T165 PolarHBondContact OG1-OG1 3.19Å; P163-T165 PolarHBondContact O-N 3.28Å; T165-L167 PolarHBondContact O-N 3.48Å; T165-D168 PolarHBondContact O-N 3.18Å; T165-L169 WeakPolarHBondContact O-CB 3.46Å; T165-L169 PolarHBondContact O-N 3.34Å
166	A	95.4	Very high	94.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-45.4	-168.4	0	0	0	0	0	113.2	L161 T162 D168 L169 V170 L188 A192 L309	L161-A166 HydrophobicContact CD1-CB 3.89Å; L161-A166 HydrophobicContact CD2-CB 4.01Å; L161-A166 HydrophobicContact CG-CB 3.71Å; T162-A166 WeakPolarHBondContact O-CB 3.48Å; T162-A166 PolarHBondContact O-N 3.09Å; A166-D168 PolarHBondContact O-N 3.28Å; A166-L169 PolarHBondContact O-N 3.38Å; A166-V170 WeakPolarHBondContact O-CB 3.33Å; A166-V170 VanDerWaalsContact O-CG2 3.24Å; A166-V170 WeakPolarHBondContact O-CG2 3.48Å; A166-V170 PolarHBondContact O-N 3.02Å; A166-L188 HydrophobicContact CB-CD1 3.75Å; A166-L188 HydrophobicContact CB-CD2 4.29Å; A166-L188 HydrophobicContact CB-CG 4.04Å; A166-A192 HydrophobicContact CB-CB 4.17Å; A166-L309 HydrophobicContact CB-CD1 3.73Å
167	L	95.6	Very high	94.9	Very high	26 Å²	26	35.3 Å²	35.3	14%	0.136	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-42.8	-176	-176.1	57.7	0	0	0	111.9	T165 R171 L195 A196 L309	T165-L167 PolarHBondContact O-N 3.48Å; L167-R171 VanDerWaalsContact O-CG 3.28Å; L167-R171 WeakPolarHBondContact O-CG 3.49Å; L167-R171 PolarHBondContact O-N 3.42Å; L167-R171 VanDerWaalsContact O-N 3.13Å; L167-L195 HydrophobicContact CD1-CB 3.77Å; L167-A196 HydrophobicContact CD1-CB 4.16Å; L167-L309 HydrophobicContact CB-CD1 3.77Å; L167-L309 HydrophobicContact CB-CG 4.5Å
168	D	93.6	Very high	94.9	Very high	67 Å²	67	35 Å²	35	36%	0.358	20%	0.198	S	C	.	.	H	α-helix	trans	-67	-43.4	177.5	-173.6	62	0	0	0	111.6	L43 T165 A166 R171 R172	L43-D168 HydrophobicContact CD1-CB 4.08Å; L43-D168 WeakPolarHBondContact CD1-OD2 3.47Å; T165-D168 PolarHBondContact O-N 3.18Å; A166-D168 PolarHBondContact O-N 3.28Å; D168-R171 PolarHBondContact O-N 3.33Å; D168-R172 WeakPolarHBondContact O-CG 3.48Å; D168-R172 IonicContact OD2-CZ 2.96Å; D168-R172 IonicContact OD2-NE 2.75Å; D168-R172 PolarHBondContact OD2-NE 2.84Å; D168-R172 IonicContact OD2-NH2 3.29Å; D168-R172 PolarHBondContact OD2-NH2 2.91Å
169	L	94.9	Very high	95	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-52	175.3	-83.1	170.6	0	0	0	111.6	L43 L86 Y157 L161 T165 A166 R171 R172 Y173	L43-L169 HydrophobicContact CD1-CD2 4.42Å; L43-L169 HydrophobicContact CD1-CG 4.04Å; L43-L169 HydrophobicContact CD2-CD1 3.96Å; L43-L169 HydrophobicContact CD2-CD2 3.92Å; L43-L169 HydrophobicContact CD2-CG 3.87Å; L86-L169 HydrophobicContact CD2-CB 4.38Å; Y157-L169 HydrophobicContact CD1-CD2 4.08Å; Y157-L169 HydrophobicContact CD2-CD2 4.41Å; Y157-L169 HydrophobicContact CE1-CD2 3.63Å; Y157-L169 HydrophobicContact CE2-CD2 3.98Å; Y157-L169 HydrophobicContact CG-CD2 4.44Å; L161-L169 HydrophobicContact CD1-CB 4.49Å; L161-L169 HydrophobicContact CD1-CD1 3.71Å; T165-L169 WeakPolarHBondContact O-CB 3.46Å; T165-L169 PolarHBondContact O-N 3.34Å; A166-L169 PolarHBondContact O-N 3.38Å; L169-R171 VanDerWaalsContact C-N 3.28Å; L169-R171 PolarHBondContact O-N 3.23Å; L169-R172 WeakPolarHBondContact O-CB 3.45Å; L169-R172 PolarHBondContact O-N 3.39Å; L169-R172 VanDerWaalsContact O-N 3.08Å; L169-Y173 VanDerWaalsContact O-CD2 3.26Å; L169-Y173 WeakPolarHBondContact O-CD2 3.35Å
170	V	97.1	Very high	95.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.8	-38.7	-178.7	168	0	0	0	0	111.8	L86 A166 R172 Y173 V176 A192 A196 R198	L86-V170 HydrophobicContact CD2-CG2 4.03Å; A166-V170 WeakPolarHBondContact O-CB 3.33Å; A166-V170 VanDerWaalsContact O-CG2 3.24Å; A166-V170 WeakPolarHBondContact O-CG2 3.48Å; A166-V170 PolarHBondContact O-N 3.02Å; V170-R172 PolarHBondContact O-N 3.28Å; V170-Y173 PolarHBondContact O-N 3.01Å; V170-V176 HydrophobicContact CB-CG2 4.47Å; V170-V176 HydrophobicContact CG1-CG2 3.87Å; V170-V176 HydrophobicContact CG2-CG2 4.18Å; V170-A192 HydrophobicContact CB-CB 4.43Å; V170-A192 HydrophobicContact CG2-CB 3.94Å; V170-A196 HydrophobicContact CB-CB 4.44Å; V170-A196 HydrophobicContact CG1-CB 3.61Å; V170-R198 HydrophobicContact CG1-CB 4.06Å; V170-R198 HydrophobicContact CG1-CG 3.86Å
171	R	96.1	Very high	94.8	Very high	128 Å²	128	31.6 Å²	31.6	48%	0.483	17%	0.174	S	C	.	.	H	α-helix	trans	-60.1	-27.8	178.5	-79.8	173.3	177.9	151.9	0.7	113.7	L167 D168 L169 Y173 A196 R198	L167-R171 VanDerWaalsContact O-CG 3.28Å; L167-R171 WeakPolarHBondContact O-CG 3.49Å; L167-R171 PolarHBondContact O-N 3.42Å; L167-R171 VanDerWaalsContact O-N 3.13Å; D168-R171 PolarHBondContact O-N 3.33Å; L169-R171 VanDerWaalsContact C-N 3.28Å; L169-R171 PolarHBondContact O-N 3.23Å; R171-Y173 VanDerWaalsContact C-N 3.3Å; R171-Y173 PolarHBondContact O-N 3.43Å; R171-A196 HydrophobicContact CG-CB 3.76Å; R171-R198 PolarHBondContact O-NH2 2.88Å
172	R	95.6	Very high	94.7	Very high	69 Å²	69	31.7 Å²	31.7	26%	0.26	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.6	-177.1	-63	166.7	-175.8	-143.1	2.7	114	V44 D168 L169 V170	V44-R172 PolarHBondContact O-NH1 2.84Å; D168-R172 WeakPolarHBondContact O-CG 3.48Å; D168-R172 IonicContact OD2-CZ 2.96Å; D168-R172 IonicContact OD2-NE 2.75Å; D168-R172 PolarHBondContact OD2-NE 2.84Å; D168-R172 IonicContact OD2-NH2 3.29Å; D168-R172 PolarHBondContact OD2-NH2 2.91Å; L169-R172 WeakPolarHBondContact O-CB 3.45Å; L169-R172 PolarHBondContact O-N 3.39Å; L169-R172 VanDerWaalsContact O-N 3.08Å; V170-R172 PolarHBondContact O-N 3.28Å
173	Y	98.1	Very high	94.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.			trans	-123	152.5	-176.7	-64.2	-90.9	0	0	0	111.8	S84 V85 L86 R108 G110 Y157 L169 V170 R171 R198	S84-Y173 WeakPolarHBondContact OG-CA 3.42Å; V85-Y173 WeakPolarHBondContact O-CD1 3.4Å; L86-Y173 HydrophobicContact CB-CD1 4.23Å; L86-Y173 HydrophobicContact CB-CD2 3.75Å; L86-Y173 HydrophobicContact CB-CE2 4.4Å; L86-Y173 HydrophobicContact CB-CG 3.67Å; L86-Y173 HydrophobicContact CD1-CD2 3.87Å; L86-Y173 HydrophobicContact CD1-CE2 3.7Å; L86-Y173 HydrophobicContact CD1-CG 4.5Å; L86-Y173 HydrophobicContact CD2-CD2 4.32Å; L86-Y173 HydrophobicContact CG-CD2 4.2Å; R108-Y173 HydrophobicContact CG-CE1 4.11Å; G110-Y173 VanDerWaalsContact CA-OH 3.26Å; G110-Y173 WeakPolarHBondContact CA-OH 3.42Å; G110-Y173 VanDerWaalsContact N-CE1 3.34Å; Y157-Y173 HydrophobicContact CE2-CE2 4.37Å; Y157-Y173 VanDerWaalsContact CE2-OH 3.3Å; Y157-Y173 WeakPolarHBondContact CE2-OH 3.49Å; Y157-Y173 PolarHBondContact OH-OH 3.33Å; L169-Y173 VanDerWaalsContact O-CD2 3.26Å; L169-Y173 WeakPolarHBondContact O-CD2 3.35Å; V170-Y173 PolarHBondContact O-N 3.01Å; R171-Y173 VanDerWaalsContact C-N 3.3Å; R171-Y173 PolarHBondContact O-N 3.43Å; Y173-R198 VanDerWaalsContact O-CD 3.28Å; Y173-R198 WeakPolarHBondContact O-CD 3.29Å; Y173-R198 PolarHBondContact O-NE 3.1Å
174	D	97.8	Very high	94.5	Very high	62 Å²	62	27.9 Å²	27.9	33%	0.332	15%	0.15	S	C	.	.	S	Bend	trans	-82.4	-36.1	-176.9	-58	-55.2	0	0	0	112.5	S84 R198 P199	S84-D174 PolarHBondContact N-OD2 2.87Å; S84-D174 WeakPolarHBondContact O-CB 3.4Å; S84-D174 PolarHBondContact O-N 3.03Å; S84-D174 VanDerWaalsContact OG-CG 3.3Å; S84-D174 PolarHBondContact OG-N 2.83Å; S84-D174 VanDerWaalsContact OG-N 3.12Å; S84-D174 PolarHBondContact OG-OD2 2.94Å; D174-R198 IonicContact OD1-NH1 2.84Å; D174-P199 WeakPolarHBondContact O-CD 2.95Å
175	V	98.6	Very high	94.6	Very high	4 Å²	4	24 Å²	24	2%	0.024	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.3	179.6	-172.7	0	0	0	0	109.2	S84 V85 L86 P199 V201 V260 I263	S84-V175 PolarHBondContact O-N 3.41Å; V85-V175 WeakPolarHBondContact CA-O 3.45Å; V85-V175 HydrophobicContact CG2-CB 4.45Å; L86-V175 PolarHBondContact N-O 3.13Å; V175-P199 HydrophobicContact CB-CG 4.5Å; V175-P199 HydrophobicContact CG1-CG 4.34Å; V175-P199 HydrophobicContact CG2-CG 4.19Å; V175-V201 HydrophobicContact CG1-CG2 4.21Å; V175-V260 HydrophobicContact CG1-CG1 4.21Å; V175-V260 HydrophobicContact CG1-CG2 4.18Å; V175-I263 HydrophobicContact CG1-CD1 4.48Å; V175-I263 HydrophobicContact CG1-CG2 4.45Å; V175-I263 HydrophobicContact CG2-CB 4.34Å; V175-I263 HydrophobicContact CG2-CG2 3.56Å
176	V	98.8	Very high	94.8	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.8	174.9	-174	0	0	0	0	109.9	L86 V88 V170 I189 R198 P199 L200 V201	L86-V176 HydrophobicContact CB-CG1 4.38Å; L86-V176 HydrophobicContact CB-CG2 4.29Å; L86-V176 HydrophobicContact CD2-CG1 4.36Å; L86-V176 HydrophobicContact CD2-CG2 4.49Å; V88-V176 HydrophobicContact CG2-CG1 4.24Å; V170-V176 HydrophobicContact CB-CG2 4.47Å; V170-V176 HydrophobicContact CG1-CG2 3.87Å; V170-V176 HydrophobicContact CG2-CG2 4.18Å; V176-I189 HydrophobicContact CG1-CG2 3.77Å; V176-R198 HydrophobicContact CG2-CB 4.43Å; V176-P199 PolarHBondContact N-O 3.11Å; V176-P199 VanDerWaalsContact N-O 3.09Å; V176-L200 HydrophobicContact CB-CD1 4.18Å; V176-L200 HydrophobicContact CG1-CD1 4.07Å; V176-L200 WeakPolarHBondContact O-CA 3.39Å; V176-V201 PolarHBondContact O-N 3.17Å
177	A	98.8	Very high	94.9	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.5	172	0	0	0	0	0	110.1	L86 V88 L97 C179 V201 Q256 V260	L86-A177 PolarHBondContact O-N 3.38Å; V88-A177 PolarHBondContact N-O 3.11Å; L97-A177 HydrophobicContact CD2-CB 3.37Å; A177-C179 PolarHBondContact O-N 3.28Å; A177-V201 WeakPolarHBondContact CA-O 3.38Å; A177-Q256 HydrophobicContact CB-CG 4.5Å; A177-V260 HydrophobicContact CB-CG2 4.29Å
178	D	98.5	Very high	94.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	106.7	171.8	166.1	32.7	0	0	0	109.2	S180 R186 I189 L200 V201 S202 A203 Q256	D178-S180 VanDerWaalsContact OD1-CB 3.31Å; D178-S180 WeakPolarHBondContact OD1-CB 3.35Å; D178-S180 PolarHBondContact OD1-N 2.89Å; D178-S180 PolarHBondContact OD1-OG 3.26Å; D178-R186 WeakPolarHBondContact OD2-CG 3.4Å; D178-R186 IonicContact OD2-NE 3.88Å; D178-R186 PolarHBondContact OD2-NE 3.12Å; D178-R186 VanDerWaalsContact OD2-NE 3.09Å; D178-I189 HydrophobicContact CB-CD1 3.92Å; D178-I189 HydrophobicContact CB-CG2 4.41Å; D178-L200 HydrophobicContact CB-CD1 3.85Å; D178-V201 PolarHBondContact N-O 3.4Å; D178-S202 PolarHBondContact OD2-OG 3.42Å; D178-A203 PolarHBondContact O-N 2.98Å; D178-Q256 PolarHBondContact O-NE2 3.31Å
179	C	97.4	Very high	95.1	Very high	9 Å²	9	19.9 Å²	19.9	6%	0.061	9%	0.093	C	C	.	.			trans	-112.5	19.7	173.7	-55.8	0	0	0	0	111.1	V88 G89 L93 L97 A177 Q256	V88-C179 CarbonylContact O-C 3.49Å; V88-C179 VanDerWaalsContact O-C 3.24Å; V88-C179 VanDerWaalsContact O-CA 3.25Å; V88-C179 WeakPolarHBondContact O-CA 3.41Å; V88-C179 VanDerWaalsContact O-CB 3.25Å; V88-C179 WeakPolarHBondContact O-CB 3.21Å; V88-C179 PolarHBondContact O-N 3.06Å; G89-C179 WeakPolarHBondContact O-CB 3.44Å; L93-C179 HydrophobicContact CB-CB 3.9Å; L97-C179 WeakPolarHBondContact CD2-SG 3.45Å; A177-C179 PolarHBondContact O-N 3.28Å; C179-Q256 PolarHBondContact SG-OE1 3.49Å
180	S	92.9	Very high	95.3	Very high	9 Å²	9	20 Å²	20	6%	0.063	9%	0.093	C	C	.	.			trans	-79.2	153.4	177.5	73.6	0	0	0	0	111.4	V88 D178	V88-S180 PolarHBondContact O-N 3.48Å; D178-S180 VanDerWaalsContact OD1-CB 3.31Å; D178-S180 WeakPolarHBondContact OD1-CB 3.35Å; D178-S180 PolarHBondContact OD1-N 2.89Å; D178-S180 PolarHBondContact OD1-OG 3.26Å
181	D	84.6	Confident	95.3	Very high	59 Å²	59	20 Å²	20	32%	0.316	9%	0.093	S	C	.	.			trans	-110.7	13.1	-178.7	68.1	-15.7	0	0	0	113.1
182	N	87.1	Confident	95.4	Very high	15 Å²	15	13.9 Å²	13.9	8%	0.08	7%	0.07	C	C	.	.	S	Bend	trans	-125.8	150.7	179.3	70.7	81.1	0	0	0	113.1	P184 T185 R186 A320	N182-P184 WeakPolarHBondContact OD1-CD 3.29Å; N182-T185 PolarHBondContact ND2-OG1 3.41Å; N182-T185 WeakPolarHBondContact OD1-CB 3.48Å; N182-T185 PolarHBondContact OD1-N 3.02Å; N182-T185 PolarHBondContact OD1-OG1 3.24Å; N182-R186 PolarHBondContact O-N 3Å; N182-A320 PolarHBondContact ND2-O 2.83Å; N182-A320 WeakPolarHBondContact OD1-CA 3.39Å; N182-A320 PolarHBondContact OD1-O 2.92Å
183	V	89.4	Confident	95.6	Very high	20 Å²	20	10.6 Å²	10.6	12%	0.121	6%	0.058	C	C	.	.	H	α-helix	trans	-69.3	-44.9	-175.9	177.5	0	0	0	0	112.6	T185 R186 Y187 P230 V236	V183-T185 PolarHBondContact O-N 3.12Å; V183-R186 PolarHBondContact O-N 3.46Å; V183-Y187 HydrophobicContact CG1-CD2 3.72Å; V183-Y187 HydrophobicContact CG1-CE2 3.58Å; V183-Y187 WeakPolarHBondContact O-CD2 3.47Å; V183-Y187 PolarHBondContact O-N 3.37Å; V183-Y187 VanDerWaalsContact O-N 3.15Å; V183-P230 HydrophobicContact CG1-CB 4.32Å; V183-V236 HydrophobicContact CG2-CG1 3.73Å; V183-V236 HydrophobicContact CG2-CG2 4.16Å
184	P	91.9	Very high	95.6	Very high	3 Å²	3	11.4 Å²	11.4	2%	0.019	6%	0.063	C	C	.	.	H	α-helix	trans	-56.3	-47	179.5	-26.4	35.2	0	0	0	112.9	N182 R186 Y187 L188 C316 S318 A320	N182-P184 WeakPolarHBondContact OD1-CD 3.29Å; P184-R186 VanDerWaalsContact C-N 3.31Å; P184-R186 PolarHBondContact O-N 2.88Å; P184-Y187 PolarHBondContact O-N 2.66Å; P184-L188 WeakPolarHBondContact O-CB 3.43Å; P184-L188 PolarHBondContact O-N 2.93Å; P184-C316 HydrophobicContact CG-CB 3.87Å; P184-S318 WeakPolarHBondContact CG-O 3.25Å; P184-S318 WeakPolarHBondContact CG-OG 3.32Å; P184-A320 HydrophobicContact CB-CB 4.07Å
185	T	94	Very high	95.6	Very high	11 Å²	11	11 Å²	11	7%	0.067	6%	0.06	C	C	.	.	H	α-helix	trans	-62.9	-38.4	179.5	-60.1	0	0	0	0	111.4	V88 N182 V183 Y187 L188 I189	V88-T185 HydrophobicContact CG1-CG2 4.32Å; N182-T185 PolarHBondContact ND2-OG1 3.41Å; N182-T185 WeakPolarHBondContact OD1-CB 3.48Å; N182-T185 PolarHBondContact OD1-N 3.02Å; N182-T185 PolarHBondContact OD1-OG1 3.24Å; V183-T185 PolarHBondContact O-N 3.12Å; T185-Y187 PolarHBondContact O-N 2.96Å; T185-L188 WeakPolarHBondContact O-CB 3.38Å; T185-L188 PolarHBondContact O-N 3.35Å; T185-I189 HydrophobicContact CG2-CD1 3.62Å; T185-I189 HydrophobicContact CG2-CG1 4.08Å; T185-I189 VanDerWaalsContact O-CG1 3.27Å; T185-I189 WeakPolarHBondContact O-CG1 3.37Å; T185-I189 PolarHBondContact O-N 3.46Å
186	R	95.3	Very high	95.5	Very high	22 Å²	22	11.8 Å²	11.8	8%	0.083	7%	0.067	C	C	.	.	H	α-helix	trans	-63	-41.2	176.3	-171.9	168.2	-61.6	161.4	16	112.9	D178 N182 V183 P184 N190 S204 Y223	D178-R186 WeakPolarHBondContact OD2-CG 3.4Å; D178-R186 IonicContact OD2-NE 3.88Å; D178-R186 PolarHBondContact OD2-NE 3.12Å; D178-R186 VanDerWaalsContact OD2-NE 3.09Å; N182-R186 PolarHBondContact O-N 3Å; V183-R186 PolarHBondContact O-N 3.46Å; P184-R186 VanDerWaalsContact C-N 3.31Å; P184-R186 PolarHBondContact O-N 2.88Å; R186-N190 VanDerWaalsContact O-CB 3.29Å; R186-N190 WeakPolarHBondContact O-CB 3.27Å; R186-N190 PolarHBondContact O-N 3.3Å; R186-S204 VanDerWaalsContact NH2-CB 3.29Å; R186-Y223 HydrophobicContact CG-CD1 4.29Å; R186-Y223 HydrophobicContact CG-CD2 4.16Å; R186-Y223 HydrophobicContact CG-CE1 4.07Å; R186-Y223 HydrophobicContact CG-CE2 3.96Å; R186-Y223 HydrophobicContact CG-CG 4.33Å
187	Y	96.3	Very high	95.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67	-42.4	174.1	-82.9	-82.5	0	0	0	111.9	V183 P184 T185 N190 D191 Y223 R224 F227 Q229 P230 F315	V183-Y187 HydrophobicContact CG1-CD2 3.72Å; V183-Y187 HydrophobicContact CG1-CE2 3.58Å; V183-Y187 WeakPolarHBondContact O-CD2 3.47Å; V183-Y187 PolarHBondContact O-N 3.37Å; V183-Y187 VanDerWaalsContact O-N 3.15Å; P184-Y187 PolarHBondContact O-N 2.66Å; T185-Y187 PolarHBondContact O-N 2.96Å; Y187-N190 PolarHBondContact O-N 3.44Å; Y187-D191 PolarHBondContact O-N 3.11Å; Y187-Y223 HydrophobicContact CD1-CD1 4.18Å; Y187-Y223 HydrophobicContact CD1-CE1 4.42Å; Y187-Y223 HydrophobicContact CD2-CE1 4.15Å; Y187-Y223 AromaticContact CE1-CD1 3.98Å; Y187-Y223 HydrophobicContact CE1-CD1 3.98Å; Y187-Y223 HydrophobicContact CE1-CE1 4.05Å; Y187-Y223 HydrophobicContact CE2-CD1 4.43Å; Y187-Y223 AromaticContact CE2-CE1 3.75Å; Y187-Y223 HydrophobicContact CE2-CE1 3.75Å; Y187-Y223 HydrophobicContact CG-CD1 4.48Å; Y187-Y223 HydrophobicContact CG-CE1 4.46Å; Y187-Y223 AromaticContact CZ-CE1 3.67Å; Y187-R224 HydrophobicContact CD1-CG 4.03Å; Y187-R224 HydrophobicContact CE1-CG 3.95Å; Y187-F227 WeakPolarHBondContact CE1-O 3.44Å; Y187-F227 PolarHBondContact OH-O 3.25Å; Y187-Q229 VanDerWaalsContact OH-C 3.24Å; Y187-Q229 PolarHBondContact OH-O 3.49Å; Y187-P230 HydrophobicContact CE2-CB 3.8Å; Y187-P230 WeakPolarHBondContact OH-CA 3.46Å; Y187-F315 HydrophobicContact CD1-CE1 4.12Å; Y187-F315 HydrophobicContact CE1-CE1 4.23Å; Y187-F315 HydrophobicContact CG-CE1 4.36Å
188	L	97.1	Very high	95.4	Very high	7 Å²	7	17.4 Å²	17.4	4%	0.037	10%	0.104	C	C	.	.	H	α-helix	trans	-57.8	-53	176	172	62.5	0	0	0	111.8	L161 P163 A166 P184 T185 N190 D191 A192 L309 Y312	L161-L188 HydrophobicContact CB-CD2 4.31Å; L161-L188 HydrophobicContact CD2-CD2 4.26Å; L161-L188 HydrophobicContact CD2-CG 4.46Å; L161-L188 HydrophobicContact CG-CD2 4.09Å; L161-L188 VanDerWaalsContact O-CD2 3.31Å; L161-L188 WeakPolarHBondContact O-CD2 3.42Å; P163-L188 HydrophobicContact CG-CD1 4.33Å; A166-L188 HydrophobicContact CB-CD1 3.75Å; A166-L188 HydrophobicContact CB-CD2 4.29Å; A166-L188 HydrophobicContact CB-CG 4.04Å; P184-L188 WeakPolarHBondContact O-CB 3.43Å; P184-L188 PolarHBondContact O-N 2.93Å; T185-L188 WeakPolarHBondContact O-CB 3.38Å; T185-L188 PolarHBondContact O-N 3.35Å; L188-N190 VanDerWaalsContact C-N 3.33Å; L188-N190 PolarHBondContact O-N 3.02Å; L188-D191 PolarHBondContact O-N 3.42Å; L188-A192 VanDerWaalsContact O-CB 3.31Å; L188-A192 WeakPolarHBondContact O-CB 3.28Å; L188-A192 PolarHBondContact O-N 2.71Å; L188-L309 HydrophobicContact CD1-CB 4.41Å; L188-L309 HydrophobicContact CD1-CD1 3.9Å; L188-L309 HydrophobicContact CD1-CD2 4.22Å; L188-L309 HydrophobicContact CD1-CG 4.42Å; L188-Y312 HydrophobicContact CB-CD1 4.49Å; L188-Y312 HydrophobicContact CB-CD2 3.67Å; L188-Y312 HydrophobicContact CB-CE2 3.91Å; L188-Y312 HydrophobicContact CB-CG 4.01Å; L188-Y312 HydrophobicContact CD1-CD2 3.69Å; L188-Y312 HydrophobicContact CD1-CE2 3.43Å; L188-Y312 VanDerWaalsContact CD1-CE2 3.43Å; L188-Y312 HydrophobicContact CG-CD2 4.21Å; L188-Y312 HydrophobicContact CG-CE2 4.27Å
189	I	97.8	Very high	95.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.9	-43.7	-180	-65	166.1	0	0	0	110.2	V88 L161 V176 D178 T185 D191 A192 C193 L200	V88-I189 HydrophobicContact CB-CD1 3.71Å; V88-I189 HydrophobicContact CG1-CD1 3.66Å; V88-I189 HydrophobicContact CG1-CG1 4.37Å; V88-I189 HydrophobicContact CG2-CD1 3.99Å; V88-I189 HydrophobicContact CG2-CG1 4.37Å; L161-I189 HydrophobicContact CD2-CD1 4.37Å; L161-I189 HydrophobicContact CD2-CG1 3.52Å; V176-I189 HydrophobicContact CG1-CG2 3.77Å; D178-I189 HydrophobicContact CB-CD1 3.92Å; D178-I189 HydrophobicContact CB-CG2 4.41Å; T185-I189 HydrophobicContact CG2-CD1 3.62Å; T185-I189 HydrophobicContact CG2-CG1 4.08Å; T185-I189 VanDerWaalsContact O-CG1 3.27Å; T185-I189 WeakPolarHBondContact O-CG1 3.37Å; T185-I189 PolarHBondContact O-N 3.46Å; I189-D191 PolarHBondContact O-N 3.31Å; I189-A192 PolarHBondContact O-N 3.07Å; I189-C193 VanDerWaalsContact O-CB 3.3Å; I189-C193 WeakPolarHBondContact O-CB 3.5Å; I189-C193 PolarHBondContact O-N 3.04Å; I189-C193 PolarHBondContact O-SG 3.33Å; I189-L200 HydrophobicContact CG2-CD1 3.5Å; I189-L200 HydrophobicContact CG2-CD2 4.05Å; I189-L200 HydrophobicContact CG2-CG 4.41Å
190	N	98.2	Very high	95.5	Very high	1 Å²	1	18 Å²	18	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-56.1	-52.8	177.7	171.5	79.2	0	0	0	111.8	R186 Y187 L188 C193 V194 L200 C222 Y223	R186-N190 VanDerWaalsContact O-CB 3.29Å; R186-N190 WeakPolarHBondContact O-CB 3.27Å; R186-N190 PolarHBondContact O-N 3.3Å; Y187-N190 PolarHBondContact O-N 3.44Å; L188-N190 VanDerWaalsContact C-N 3.33Å; L188-N190 PolarHBondContact O-N 3.02Å; N190-C193 PolarHBondContact O-N 3.13Å; N190-V194 WeakPolarHBondContact O-CG2 3.41Å; N190-V194 PolarHBondContact O-N 3.15Å; N190-L200 HydrophobicContact CB-CD2 4.25Å; N190-C222 WeakPolarHBondContact OD1-CB 3.47Å; N190-Y223 VanDerWaalsContact CG-CB 3.41Å; N190-Y223 WeakPolarHBondContact OD1-CB 3.38Å; N190-Y223 PolarHBondContact OD1-N 2.81Å
191	D	97.9	Very high	95.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.5	-40.7	-175.3	-67.1	-5.2	0	0	0	110.4	Y187 L188 I189 C193 V194 L195 R224 V299 L309 Y312	Y187-D191 PolarHBondContact O-N 3.11Å; L188-D191 PolarHBondContact O-N 3.42Å; I189-D191 PolarHBondContact O-N 3.31Å; D191-C193 VanDerWaalsContact C-N 3.34Å; D191-C193 PolarHBondContact O-N 3.21Å; D191-V194 PolarHBondContact O-N 3.07Å; D191-L195 WeakPolarHBondContact O-CB 3.44Å; D191-L195 VanDerWaalsContact O-CG 3.24Å; D191-L195 WeakPolarHBondContact O-CG 3.4Å; D191-L195 PolarHBondContact O-N 2.92Å; D191-R224 VanDerWaalsContact CG-NE 3.32Å; D191-R224 WeakPolarHBondContact OD1-CD 3.26Å; D191-R224 IonicContact OD1-CZ 3.18Å; D191-R224 IonicContact OD1-NE 2.87Å; D191-R224 PolarHBondContact OD1-NE 3.15Å; D191-R224 IonicContact OD2-CZ 2.85Å; D191-R224 VanDerWaalsContact OD2-CZ 3.29Å; D191-R224 IonicContact OD2-NE 3.58Å; D191-R224 PolarHBondContact OD2-NE 2.86Å; D191-R224 IonicContact OD2-NH2 3.94Å; D191-R224 PolarHBondContact OD2-NH2 3.17Å; D191-V299 HydrophobicContact CB-CG2 4.18Å; D191-L309 HydrophobicContact CB-CD2 3.99Å; D191-Y312 WeakPolarHBondContact CB-OH 3.3Å; D191-Y312 VanDerWaalsContact OD2-CE1 3.29Å; D191-Y312 WeakPolarHBondContact OD2-CE1 3.03Å; D191-Y312 PolarHBondContact OD2-OH 2.86Å
192	A	98.3	Very high	96.4	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-41.9	174.2	0	0	0	0	0	112.4	A166 V170 L188 I189 L195 A196 L309	A166-A192 HydrophobicContact CB-CB 4.17Å; V170-A192 HydrophobicContact CB-CB 4.43Å; V170-A192 HydrophobicContact CG2-CB 3.94Å; L188-A192 VanDerWaalsContact O-CB 3.31Å; L188-A192 WeakPolarHBondContact O-CB 3.28Å; L188-A192 PolarHBondContact O-N 2.71Å; I189-A192 PolarHBondContact O-N 3.07Å; A192-L195 PolarHBondContact O-N 3.14Å; A192-A196 WeakPolarHBondContact O-CB 3.3Å; A192-A196 PolarHBondContact O-N 2.9Å; A192-L309 HydrophobicContact CB-CD1 4.2Å; A192-L309 HydrophobicContact CB-CD2 4.07Å
193	C	98.6	Very high	96.9	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.007	9%	0.089	C	C	.	.	H	α-helix	trans	-63.9	-44.1	176.4	-72.1	0	0	0	0	112.1	I189 N190 D191 A196 G197 R198 L200	I189-C193 VanDerWaalsContact O-CB 3.3Å; I189-C193 WeakPolarHBondContact O-CB 3.5Å; I189-C193 PolarHBondContact O-N 3.04Å; I189-C193 PolarHBondContact O-SG 3.33Å; N190-C193 PolarHBondContact O-N 3.13Å; D191-C193 VanDerWaalsContact C-N 3.34Å; D191-C193 PolarHBondContact O-N 3.21Å; C193-A196 PolarHBondContact O-N 3.04Å; C193-G197 PolarHBondContact O-N 3.06Å; C193-R198 WeakPolarHBondContact CB-O 3.44Å; C193-R198 PolarHBondContact O-N 3.37Å; C193-L200 HydrophobicContact CB-CB 4.17Å
194	V	98.2	Very high	97.2	Very high	17 Å²	17	14.5 Å²	14.5	10%	0.103	9%	0.09	C	C	.	.	H	α-helix	trans	-63.7	-46.5	176.6	173.8	0	0	0	0	111.1	N190 D191 A196 G197 H216 C222 V299 C300	N190-V194 WeakPolarHBondContact O-CG2 3.41Å; N190-V194 PolarHBondContact O-N 3.15Å; D191-V194 PolarHBondContact O-N 3.07Å; V194-A196 VanDerWaalsContact C-N 3.26Å; V194-A196 PolarHBondContact O-N 3.17Å; V194-G197 PolarHBondContact O-N 3.19Å; V194-H216 HydrophobicContact CG2-CB 4.3Å; V194-C222 HydrophobicContact CG2-CB 3.65Å; V194-V299 HydrophobicContact CB-CG1 4.42Å; V194-V299 HydrophobicContact CB-CG2 3.97Å; V194-V299 HydrophobicContact CG1-CB 4.49Å; V194-V299 HydrophobicContact CG1-CG1 4.29Å; V194-V299 HydrophobicContact CG1-CG2 3.82Å; V194-V299 HydrophobicContact CG2-CG1 4.19Å; V194-C300 HydrophobicContact CG1-CB 3.74Å; V194-C300 HydrophobicContact CG2-CB 4.42Å
195	L	97.8	Very high	97.3	Very high	52 Å²	52	15 Å²	15	27%	0.272	9%	0.094	S	C	.	.	H	α-helix	trans	-66.7	-27.5	179.7	-67.9	174	0	0	0	112.9	L167 D191 A192 L309	L167-L195 HydrophobicContact CD1-CB 3.77Å; D191-L195 WeakPolarHBondContact O-CB 3.44Å; D191-L195 VanDerWaalsContact O-CG 3.24Å; D191-L195 WeakPolarHBondContact O-CG 3.4Å; D191-L195 PolarHBondContact O-N 2.92Å; A192-L195 PolarHBondContact O-N 3.14Å; L195-L309 HydrophobicContact CD1-CD2 3.94Å; L195-L309 HydrophobicContact CD1-CG 4.4Å
196	A	97.4	Very high	97.2	Very high	21 Å²	21	17.1 Å²	17.1	17%	0.174	11%	0.105	C	C	.	.	H	α-helix	trans	-92.3	-6.7	176.8	0	0	0	0	0	114	L167 V170 R171 A192 C193 V194 R198	L167-A196 HydrophobicContact CD1-CB 4.16Å; V170-A196 HydrophobicContact CB-CB 4.44Å; V170-A196 HydrophobicContact CG1-CB 3.61Å; R171-A196 HydrophobicContact CG-CB 3.76Å; A192-A196 WeakPolarHBondContact O-CB 3.3Å; A192-A196 PolarHBondContact O-N 2.9Å; C193-A196 PolarHBondContact O-N 3.04Å; V194-A196 VanDerWaalsContact C-N 3.26Å; V194-A196 PolarHBondContact O-N 3.17Å; A196-R198 HydrophobicContact CB-CG 3.9Å
197	G	97.3	Very high	97.1	Very high	51 Å²	51	23.1 Å²	23.1	53%	0.526	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	36.5	-174.9	0	0	0	0	0	113.5	C193 V194	C193-G197 PolarHBondContact O-N 3.06Å; V194-G197 PolarHBondContact O-N 3.19Å
198	R	97.9	Very high	97.1	Very high	67 Å²	67	27 Å²	27	25%	0.253	15%	0.145	S	C	.	.			trans	-110.9	136.7	-177.4	-59	-55.2	-174.4	166.5	7.7	111.9	V170 R171 Y173 D174 V176 C193 A196 H216	V170-R198 HydrophobicContact CG1-CB 4.06Å; V170-R198 HydrophobicContact CG1-CG 3.86Å; R171-R198 PolarHBondContact O-NH2 2.88Å; Y173-R198 VanDerWaalsContact O-CD 3.28Å; Y173-R198 WeakPolarHBondContact O-CD 3.29Å; Y173-R198 PolarHBondContact O-NE 3.1Å; D174-R198 IonicContact OD1-NH1 2.84Å; V176-R198 HydrophobicContact CG2-CB 4.43Å; C193-R198 WeakPolarHBondContact CB-O 3.44Å; C193-R198 PolarHBondContact O-N 3.37Å; A196-R198 HydrophobicContact CB-CG 3.9Å; R198-H216 PolarHBondContact O-CD2 3.5Å
199	P	98.3	Very high	97	Very high	21 Å²	21	32.9 Å²	32.9	14%	0.136	17%	0.172	C	C	.	.			trans	-68.1	144.5	173.4	30.2	-35.2	0	0	0	110.9	D174 V175 V176 Y217 I263	D174-P199 WeakPolarHBondContact O-CD 2.95Å; V175-P199 HydrophobicContact CB-CG 4.5Å; V175-P199 HydrophobicContact CG1-CG 4.34Å; V175-P199 HydrophobicContact CG2-CG 4.19Å; V176-P199 PolarHBondContact N-O 3.11Å; V176-P199 VanDerWaalsContact N-O 3.09Å; P199-Y217 HydrophobicContact CB-CD2 3.94Å; P199-I263 HydrophobicContact CG-CG2 4.08Å
200	L	98.8	Very high	97	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.8	-179.1	172.5	60.8	0	0	0	110.4	V176 D178 I189 N190 C193 V214 Y215	V176-L200 HydrophobicContact CB-CD1 4.18Å; V176-L200 HydrophobicContact CG1-CD1 4.07Å; V176-L200 WeakPolarHBondContact O-CA 3.39Å; D178-L200 HydrophobicContact CB-CD1 3.85Å; I189-L200 HydrophobicContact CG2-CD1 3.5Å; I189-L200 HydrophobicContact CG2-CD2 4.05Å; I189-L200 HydrophobicContact CG2-CG 4.41Å; N190-L200 HydrophobicContact CB-CD2 4.25Å; C193-L200 HydrophobicContact CB-CB 4.17Å; L200-V214 CarbonylContact O-C 3.54Å; L200-V214 WeakPolarHBondContact O-CA 3.37Å; L200-Y215 HydrophobicContact CD2-CD2 4.23Å; L200-Y215 HydrophobicContact CG-CD2 4.43Å; L200-Y215 PolarHBondContact N-O 2.92Å; L200-Y215 PolarHBondContact O-N 3.48Å
201	V	98.8	Very high	96.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	109.4	168.9	-169.9	0	0	0	0	108	V175 V176 A177 D178 I212 V214 Q256 E259 V260 I263	V175-V201 HydrophobicContact CG1-CG2 4.21Å; V176-V201 PolarHBondContact O-N 3.17Å; A177-V201 WeakPolarHBondContact CA-O 3.38Å; D178-V201 PolarHBondContact N-O 3.4Å; V201-I212 HydrophobicContact CG1-CD1 4.09Å; V201-I212 HydrophobicContact CG1-CG1 4.42Å; V201-V214 HydrophobicContact CG1-CG2 4.21Å; V201-V214 HydrophobicContact CG2-CG1 4.5Å; V201-V214 HydrophobicContact CG2-CG2 4.14Å; V201-Q256 HydrophobicContact CB-CG 4.31Å; V201-Q256 HydrophobicContact CG1-CG 3.65Å; V201-Q256 PolarHBondContact O-NE2 2.77Å; V201-E259 HydrophobicContact CG1-CB 3.72Å; V201-E259 HydrophobicContact CG1-CG 4.33Å; V201-E259 HydrophobicContact CG2-CB 4.23Å; V201-V260 HydrophobicContact CB-CG2 3.95Å; V201-V260 HydrophobicContact CG1-CG2 4.38Å; V201-V260 HydrophobicContact CG2-CG2 3.66Å; V201-I263 HydrophobicContact CG2-CD1 3.66Å
202	S	98.5	Very high	97	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.042	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.8	-177.5	176.6	0	0	0	0	110.4	D178 I212 T213	D178-S202 PolarHBondContact OD2-OG 3.42Å; S202-I212 WeakPolarHBondContact O-CA 3.44Å; S202-T213 PolarHBondContact N-O 2.66Å; S202-T213 PolarHBondContact O-N 3.35Å
203	A	97.8	Very high	97	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	155.3	176.1	0	0	0	0	0	110.5	L93 D178 Q211 I212 Q256	L93-A203 HydrophobicContact CD1-CB 4.48Å; L93-A203 HydrophobicContact CD2-CB 4.29Å; D178-A203 PolarHBondContact O-N 2.98Å; A203-Q211 CarbonylContact C-O 3.51Å; A203-Q211 VanDerWaalsContact CA-O 3.23Å; A203-Q211 WeakPolarHBondContact CA-O 3.32Å; A203-I212 HydrophobicContact CB-CB 4.26Å; A203-I212 HydrophobicContact CB-CG1 4.33Å; A203-Q256 HydrophobicContact CB-CB 4.42Å; A203-Q256 HydrophobicContact CB-CG 4.4Å
204	S	95.4	Very high	97	Very high	22 Å²	22	35.7 Å²	35.7	15%	0.154	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	154.1	172.6	68	0	0	0	0	111.4	R186 G210 Q211	R186-S204 VanDerWaalsContact NH2-CB 3.29Å; S204-G210 CarbonylContact O-C 3.54Å; S204-G210 WeakPolarHBondContact O-CA 3.43Å; S204-Q211 PolarHBondContact N-O 3.08Å; S204-Q211 PolarHBondContact O-N 2.96Å; S204-Q211 WeakPolarHBondContact OG-CG 3.15Å; S204-Q211 PolarHBondContact OG-NE2 3.31Å
205	A	94.3	Very high	97	Very high	13 Å²	13	35.3 Å²	35.3	11%	0.107	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.8	175	0	0	0	0	0	110.4	E209 C239 V244 V248 T249	A205-E209 CarbonylContact C-O 3.5Å; A205-E209 VanDerWaalsContact CA-O 3.28Å; A205-E209 WeakPolarHBondContact CA-O 3.49Å; A205-C239 PolarHBondContact O-SG 2.9Å; A205-C239 VanDerWaalsContact O-SG 3.4Å; A205-V244 HydrophobicContact CB-CG2 4.05Å; A205-V248 HydrophobicContact CB-CG1 3.89Å; A205-T249 HydrophobicContact CB-CG2 3.69Å
206	L	92	Very high	96.9	Very high	56 Å²	56	35.1 Å²	35.1	29%	0.293	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	131.9	175.1	-175.6	66.9	0	0	0	108.1	F208 E209 T237 N238	L206-F208 PolarHBondContact O-N 3.16Å; L206-F208 VanDerWaalsContact O-N 3.08Å; L206-E209 PolarHBondContact N-O 3.43Å; L206-E209 PolarHBondContact O-N 3.02Å; L206-T237 HydrophobicContact CD1-CG2 4.32Å; L206-T237 HydrophobicContact CD2-CG2 4.45Å; L206-N238 WeakPolarHBondContact CD1-O 3.3Å
207	R	92.1	Very high	96.9	Very high	149 Å²	149	36.3 Å²	36.3	56%	0.562	18%	0.182	S	C	*	.	B	Isolated β-bridge	trans	53.4	-113.2	-175.4	-61.9	173.8	177.8	170.2	4.6	111.7	G242 G243 F245	R207-G242 VanDerWaalsContact CG-O 3.27Å; R207-G242 WeakPolarHBondContact CG-O 3.39Å; R207-G243 WeakPolarHBondContact CA-O 3.31Å; R207-G243 PolarHBondContact N-O 3.26Å; R207-F245 PolarHBondContact O-N 3.4Å
208	F	96.2	Very high	96.7	Very high	81 Å²	81	40.4 Å²	40.4	36%	0.355	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	10.5	179.4	-70.7	-91.5	0	0	0	112.5	L206 F245 A280 L281	L206-F208 PolarHBondContact O-N 3.16Å; L206-F208 VanDerWaalsContact O-N 3.08Å; F208-F245 HydrophobicContact CD1-CB 4.17Å; F208-F245 HydrophobicContact CD1-CD1 4.19Å; F208-F245 HydrophobicContact CD1-CG 4.37Å; F208-F245 HydrophobicContact CE1-CB 4.02Å; F208-F245 AromaticContact CE1-CD1 3.92Å; F208-F245 HydrophobicContact CE1-CD1 3.92Å; F208-F245 AromaticContact CE1-CG 3.92Å; F208-F245 HydrophobicContact CE1-CG 3.92Å; F208-F245 HydrophobicContact CZ-CB 4.4Å; F208-F245 HydrophobicContact CZ-CG 4.48Å; F208-A280 HydrophobicContact CB-CB 4.24Å; F208-A280 HydrophobicContact CD1-CB 4.35Å; F208-A280 WeakPolarHBondContact O-CB 3.49Å; F208-A280 PolarHBondContact O-N 3.23Å; F208-L281 HydrophobicContact CB-CD1 4.19Å; F208-L281 HydrophobicContact CB-CD2 4.35Å; F208-L281 HydrophobicContact CB-CG 3.71Å; F208-L281 HydrophobicContact CD1-CD2 3.76Å; F208-L281 HydrophobicContact CD1-CG 4.04Å; F208-L281 HydrophobicContact CD2-CD1 4.43Å; F208-L281 HydrophobicContact CD2-CD2 4.15Å; F208-L281 HydrophobicContact CD2-CG 4.26Å; F208-L281 HydrophobicContact CE1-CD2 4.05Å; F208-L281 HydrophobicContact CE2-CD2 4.41Å; F208-L281 HydrophobicContact CG-CD1 4.32Å; F208-L281 HydrophobicContact CG-CD2 3.82Å; F208-L281 HydrophobicContact CG-CG 3.75Å; F208-L281 HydrophobicContact CZ-CD2 4.36Å
209	E	96.5	Very high	96.3	Very high	131 Å²	131	39.7 Å²	39.7	61%	0.612	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115	148.6	-176.5	-64.4	179	-173.4	0	0	110.6	A205 L206 F278	A205-E209 CarbonylContact C-O 3.5Å; A205-E209 VanDerWaalsContact CA-O 3.28Å; A205-E209 WeakPolarHBondContact CA-O 3.49Å; L206-E209 PolarHBondContact N-O 3.43Å; L206-E209 PolarHBondContact O-N 3.02Å; E209-F278 CarbonylContact C-O 3.6Å; E209-F278 VanDerWaalsContact CA-O 3.29Å; E209-F278 WeakPolarHBondContact CA-O 3.39Å
210	G	96.8	Very high	96.2	Very high	6 Å²	6	39.2 Å²	39.2	6%	0.062	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	161.7	173	0	0	0	0	0	112.4	S204 L277 F278	S204-G210 CarbonylContact O-C 3.54Å; S204-G210 WeakPolarHBondContact O-CA 3.43Å; G210-L277 WeakPolarHBondContact O-CA 3.3Å; G210-F278 PolarHBondContact N-O 2.67Å; G210-F278 PolarHBondContact O-N 2.76Å
211	Q	97.2	Very high	96.1	Very high	52 Å²	52	39.3 Å²	39.3	24%	0.243	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	154.9	177.2	63.4	177	10.2	0	0	112.3	A203 S204 L275 L276 L277	A203-Q211 CarbonylContact C-O 3.51Å; A203-Q211 VanDerWaalsContact CA-O 3.23Å; A203-Q211 WeakPolarHBondContact CA-O 3.32Å; S204-Q211 PolarHBondContact N-O 3.08Å; S204-Q211 PolarHBondContact O-N 2.96Å; S204-Q211 WeakPolarHBondContact OG-CG 3.15Å; S204-Q211 PolarHBondContact OG-NE2 3.31Å; Q211-L275 HydrophobicContact CB-CD1 3.95Å; Q211-L275 HydrophobicContact CG-CD1 4.44Å; Q211-L276 CarbonylContact C-O 3.56Å; Q211-L276 WeakPolarHBondContact CA-O 3.32Å; Q211-L276 WeakPolarHBondContact CB-O 3.41Å; Q211-L277 HydrophobicContact CB-CD2 3.73Å
212	I	98.3	Very high	96	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	143	175.6	-178.7	172.9	0	0	0	111.8	V201 S202 A203 L252 L255 Q256 E259 Y271 L276	V201-I212 HydrophobicContact CG1-CD1 4.09Å; V201-I212 HydrophobicContact CG1-CG1 4.42Å; S202-I212 WeakPolarHBondContact O-CA 3.44Å; A203-I212 HydrophobicContact CB-CB 4.26Å; A203-I212 HydrophobicContact CB-CG1 4.33Å; I212-L252 HydrophobicContact CB-CD1 4.21Å; I212-L252 HydrophobicContact CG2-CD1 4.17Å; I212-L255 HydrophobicContact CD1-CB 4.16Å; I212-Q256 HydrophobicContact CD1-CB 4.05Å; I212-Q256 HydrophobicContact CD1-CG 4.5Å; I212-E259 HydrophobicContact CD1-CG 3.97Å; I212-Y271 HydrophobicContact CD1-CD2 4.5Å; I212-Y271 HydrophobicContact CG2-CD2 4.11Å; I212-Y271 HydrophobicContact CG2-CE2 4.25Å; I212-L276 HydrophobicContact CG2-CB 3.7Å; I212-L276 HydrophobicContact CG2-CD2 3.74Å; I212-L276 HydrophobicContact CG2-CG 4.26Å; I212-L276 PolarHBondContact N-O 3.45Å; I212-L276 PolarHBondContact O-N 3.03Å
213	T	98.3	Very high	96	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	152.3	173.3	-79.8	0	0	0	0	110.4	S202 Y215 S274 L275 L290	S202-T213 PolarHBondContact N-O 2.66Å; S202-T213 PolarHBondContact O-N 3.35Å; T213-Y215 HydrophobicContact CG2-CD1 3.64Å; T213-Y215 HydrophobicContact CG2-CD2 4.05Å; T213-Y215 HydrophobicContact CG2-CE1 3.29Å; T213-Y215 HydrophobicContact CG2-CE2 3.73Å; T213-Y215 HydrophobicContact CG2-CG 4.01Å; T213-S274 PolarHBondContact OG1-O 3.31Å; T213-L275 WeakPolarHBondContact OG1-CA 3.25Å; T213-L275 VanDerWaalsContact OG1-CD1 3.22Å; T213-L275 WeakPolarHBondContact OG1-CD1 3.33Å; T213-L290 HydrophobicContact CG2-CD1 3.79Å
214	V	98.6	Very high	95.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123	166.5	-176.4	0	0	0	0	109.6	L200 V201 Y217 E259 I263 P269 Y271 S272	L200-V214 CarbonylContact O-C 3.54Å; L200-V214 WeakPolarHBondContact O-CA 3.37Å; V201-V214 HydrophobicContact CG1-CG2 4.21Å; V201-V214 HydrophobicContact CG2-CG1 4.5Å; V201-V214 HydrophobicContact CG2-CG2 4.14Å; V214-Y217 HydrophobicContact CG1-CG 4.48Å; V214-E259 HydrophobicContact CG2-CB 4.07Å; V214-E259 HydrophobicContact CG2-CG 4.07Å; V214-I263 HydrophobicContact CG1-CD1 3.89Å; V214-P269 HydrophobicContact CB-CB 3.99Å; V214-P269 HydrophobicContact CB-CG 4.38Å; V214-P269 HydrophobicContact CG1-CB 3.97Å; V214-P269 HydrophobicContact CG1-CG 4.04Å; V214-P269 HydrophobicContact CG2-CB 3.68Å; V214-Y271 PolarHBondContact N-O 3.33Å; V214-S272 WeakPolarHBondContact O-CA 3.27Å
215	Y	98.4	Very high	95.9	Very high	8 Å²	8	39.2 Å²	39.2	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	153.7	179.5	-63.6	-66	0	0	0	111.2	L200 T213 Y217 P221 Y223 I226	L200-Y215 HydrophobicContact CD2-CD2 4.23Å; L200-Y215 HydrophobicContact CG-CD2 4.43Å; L200-Y215 PolarHBondContact N-O 2.92Å; L200-Y215 PolarHBondContact O-N 3.48Å; T213-Y215 HydrophobicContact CG2-CD1 3.64Å; T213-Y215 HydrophobicContact CG2-CD2 4.05Å; T213-Y215 HydrophobicContact CG2-CE1 3.29Å; T213-Y215 HydrophobicContact CG2-CE2 3.73Å; T213-Y215 HydrophobicContact CG2-CG 4.01Å; Y215-Y217 PolarHBondContact O-N 3.08Å; Y215-Y217 VanDerWaalsContact O-N 3.16Å; Y215-P221 WeakPolarHBondContact CA-O 3.37Å; Y215-Y223 HydrophobicContact CE1-CD2 4.44Å; Y215-Y223 AromaticContact CE2-CD2 3.77Å; Y215-Y223 HydrophobicContact CE2-CD2 3.77Å; Y215-Y223 AromaticContact CZ-CD2 3.68Å; Y215-I226 HydrophobicContact CE1-CG1 4.21Å
216	H	96.9	Very high	95.9	Very high	49 Å²	49	39.4 Å²	39.4	23%	0.227	20%	0.199	C	C	.	.	S	Bend	trans	52.5	37.5	173.1	-163.3	64.7	0	0	0	114.3	V194 R198 P221	V194-H216 HydrophobicContact CG2-CB 4.3Å; R198-H216 PolarHBondContact O-CD2 3.5Å; H216-P221 PolarHBondContact N-O 2.79Å
217	Y	96.9	Very high	96	Very high	45 Å²	45	40.3 Å²	40.3	18%	0.176	20%	0.201	C	C	.	.	S	Bend	trans	-108.2	126.4	174.1	-177.7	-84.1	0	0	0	109.8	P199 V214 Y215 G219 G220 I263 P269	P199-Y217 HydrophobicContact CB-CD2 3.94Å; V214-Y217 HydrophobicContact CG1-CG 4.48Å; Y215-Y217 PolarHBondContact O-N 3.08Å; Y215-Y217 VanDerWaalsContact O-N 3.16Å; Y217-G219 VanDerWaalsContact C-N 3.32Å; Y217-G219 PolarHBondContact O-N 2.79Å; Y217-G220 WeakPolarHBondContact O-CA 3.27Å; Y217-G220 PolarHBondContact O-N 2.82Å; Y217-I263 HydrophobicContact CD2-CD1 4.36Å; Y217-I263 HydrophobicContact CD2-CG1 4.17Å; Y217-I263 HydrophobicContact CD2-CG2 4.29Å; Y217-I263 HydrophobicContact CE2-CG1 4.07Å; Y217-I263 HydrophobicContact CE2-CG2 3.99Å; Y217-P269 HydrophobicContact CD1-CG 3.48Å; Y217-P269 VanDerWaalsContact CD1-CG 3.48Å; Y217-P269 HydrophobicContact CD2-CG 4.12Å; Y217-P269 HydrophobicContact CE1-CG 3.79Å; Y217-P269 HydrophobicContact CE2-CG 4.38Å; Y217-P269 HydrophobicContact CG-CG 3.69Å
218	D	92.8	Very high	95.9	Very high	137 Å²	137	35.9 Å²	35.9	73%	0.733	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	45	48.4	177.9	-68.9	-12.4	0	0	0	114.6	G220	D218-G220 VanDerWaalsContact C-N 3.3Å; D218-G220 PolarHBondContact O-N 2.85Å
219	G	89.6	Confident	95.5	Very high	52 Å²	52	39.7 Å²	39.7	54%	0.536	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	6.7	179.7	0	0	0	0	0	115.1	Y217	Y217-G219 VanDerWaalsContact C-N 3.32Å; Y217-G219 PolarHBondContact O-N 2.79Å
220	G	95.3	Very high	94.9	Very high	11 Å²	11	34.8 Å²	34.8	11%	0.113	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-62.9	167.6	173.4	0	0	0	0	0	114.4	Y217 D218	Y217-G220 WeakPolarHBondContact O-CA 3.27Å; Y217-G220 PolarHBondContact O-N 2.82Å; D218-G220 VanDerWaalsContact C-N 3.3Å; D218-G220 PolarHBondContact O-N 2.85Å
221	P	97.4	Very high	94.1	Very high	4 Å²	4	37.1 Å²	37.1	3%	0.026	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-64.3	150.7	179.7	29.3	-35.6	0	0	0	111.7	Y215 H216 C225 I226 R291	Y215-P221 WeakPolarHBondContact CA-O 3.37Å; H216-P221 PolarHBondContact N-O 2.79Å; P221-C225 HydrophobicContact CB-CB 3.76Å; P221-I226 HydrophobicContact CB-CD1 4.16Å; P221-I226 HydrophobicContact CG-CD1 4.44Å; P221-R291 WeakPolarHBondContact CG-O 3.41Å
222	C	97.8	Very high	93	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-90.9	171.7	163.7	77.5	0	0	0	0	110.5	N190 V194 R224 C225 C300	N190-C222 WeakPolarHBondContact OD1-CB 3.47Å; V194-C222 HydrophobicContact CG2-CB 3.65Å; C222-R224 VanDerWaalsContact C-N 3.3Å; C222-R224 PolarHBondContact O-N 3.38Å; C222-C225 VanDerWaalsContact O-CB 3.28Å; C222-C225 WeakPolarHBondContact O-CB 3.22Å; C222-C225 PolarHBondContact O-N 3.01Å; C222-C300 PolarHBondContact SG-SG 2.88Å
223	Y	96.8	Very high	91.7	Very high	15 Å²	15	40.2 Å²	40.2	6%	0.059	23%	0.231	C	C	.	.	H	α-helix	trans	-54.9	-44.3	177.4	-171.4	-105.5	0	0	0	112	R186 Y187 N190 Y215 C225 I226 F227	R186-Y223 HydrophobicContact CG-CD1 4.29Å; R186-Y223 HydrophobicContact CG-CD2 4.16Å; R186-Y223 HydrophobicContact CG-CE1 4.07Å; R186-Y223 HydrophobicContact CG-CE2 3.96Å; R186-Y223 HydrophobicContact CG-CG 4.33Å; Y187-Y223 HydrophobicContact CD1-CD1 4.18Å; Y187-Y223 HydrophobicContact CD1-CE1 4.42Å; Y187-Y223 HydrophobicContact CD2-CE1 4.15Å; Y187-Y223 AromaticContact CE1-CD1 3.98Å; Y187-Y223 HydrophobicContact CE1-CD1 3.98Å; Y187-Y223 HydrophobicContact CE1-CE1 4.05Å; Y187-Y223 HydrophobicContact CE2-CD1 4.43Å; Y187-Y223 AromaticContact CE2-CE1 3.75Å; Y187-Y223 HydrophobicContact CE2-CE1 3.75Å; Y187-Y223 HydrophobicContact CG-CD1 4.48Å; Y187-Y223 HydrophobicContact CG-CE1 4.46Å; Y187-Y223 AromaticContact CZ-CE1 3.67Å; N190-Y223 VanDerWaalsContact CG-CB 3.41Å; N190-Y223 WeakPolarHBondContact OD1-CB 3.38Å; N190-Y223 PolarHBondContact OD1-N 2.81Å; Y215-Y223 HydrophobicContact CE1-CD2 4.44Å; Y215-Y223 AromaticContact CE2-CD2 3.77Å; Y215-Y223 HydrophobicContact CE2-CD2 3.77Å; Y215-Y223 AromaticContact CZ-CD2 3.68Å; Y223-C225 PolarHBondContact O-N 2.71Å; Y223-I226 PolarHBondContact O-N 3.09Å; Y223-F227 HydrophobicContact CD1-CB 4.48Å; Y223-F227 HydrophobicContact CD1-CD2 4.5Å; Y223-F227 AromaticContact CD2-CD2 3.86Å; Y223-F227 HydrophobicContact CD2-CD2 3.86Å; Y223-F227 HydrophobicContact CD2-CE2 4.34Å; Y223-F227 HydrophobicContact CE1-CB 4.05Å; Y223-F227 HydrophobicContact CE1-CD2 4.11Å; Y223-F227 HydrophobicContact CE1-CG 4.46Å; Y223-F227 AromaticContact CE2-CD2 3.38Å; Y223-F227 HydrophobicContact CE2-CD2 3.38Å; Y223-F227 AromaticContact CE2-CE2 3.75Å; Y223-F227 HydrophobicContact CE2-CE2 3.75Å; Y223-F227 HydrophobicContact CE2-CG 4.4Å; Y223-F227 HydrophobicContact CG-CD2 4.38Å; Y223-F227 AromaticContact CZ-CD2 3.52Å; Y223-F227 PolarHBondContact O-N 3.49Å
224	R	96	Very high	90.2	Very high	11 Å²	11	49.1 Å²	49.1	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-22.5	176.4	-70.1	-173.9	-179.6	-92.3	7.9	114.3	Y187 D191 C222 I226 P228 V299 F315	Y187-R224 HydrophobicContact CD1-CG 4.03Å; Y187-R224 HydrophobicContact CE1-CG 3.95Å; D191-R224 VanDerWaalsContact CG-NE 3.32Å; D191-R224 WeakPolarHBondContact OD1-CD 3.26Å; D191-R224 IonicContact OD1-CZ 3.18Å; D191-R224 IonicContact OD1-NE 2.87Å; D191-R224 PolarHBondContact OD1-NE 3.15Å; D191-R224 IonicContact OD2-CZ 2.85Å; D191-R224 VanDerWaalsContact OD2-CZ 3.29Å; D191-R224 IonicContact OD2-NE 3.58Å; D191-R224 PolarHBondContact OD2-NE 2.86Å; D191-R224 IonicContact OD2-NH2 3.94Å; D191-R224 PolarHBondContact OD2-NH2 3.17Å; C222-R224 VanDerWaalsContact C-N 3.3Å; C222-R224 PolarHBondContact O-N 3.38Å; R224-I226 PolarHBondContact O-N 3.22Å; R224-P228 VanDerWaalsContact O-CA 3.28Å; R224-P228 WeakPolarHBondContact O-CA 3.48Å; R224-P228 WeakPolarHBondContact O-CG 3.38Å; R224-V299 HydrophobicContact CB-CG1 4.34Å; R224-V299 HydrophobicContact CG-CG1 4.44Å; R224-F315 VanDerWaalsContact NH1-CZ 3.3Å
225	C	96.5	Very high	88.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-31.3	172.8	-65.9	0	0	0	0	111.4	P221 C222 Y223 R294 C300	P221-C225 HydrophobicContact CB-CB 3.76Å; C222-C225 VanDerWaalsContact O-CB 3.28Å; C222-C225 WeakPolarHBondContact O-CB 3.22Å; C222-C225 PolarHBondContact O-N 3.01Å; Y223-C225 PolarHBondContact O-N 2.71Å; C225-R294 HydrophobicContact CB-CB 4.44Å; C225-R294 HydrophobicContact CB-CG 4.41Å; C225-R294 WeakPolarHBondContact O-CD 3.34Å; C225-R294 PolarHBondContact SG-N 3.01Å; C225-C300 PolarHBondContact SG-SG 3.49Å
226	I	94.5	Very high	87.3	Confident	17 Å²	17	55.5 Å²	55.5	9%	0.087	31%	0.312	C	S	.	.	H	α-helix	trans	-93.5	-44	-178.3	-47.8	-53.1	0	0	0	110.7	Y215 P221 Y223 R224 P228 L290 R291	Y215-I226 HydrophobicContact CE1-CG1 4.21Å; P221-I226 HydrophobicContact CB-CD1 4.16Å; P221-I226 HydrophobicContact CG-CD1 4.44Å; Y223-I226 PolarHBondContact O-N 3.09Å; R224-I226 PolarHBondContact O-N 3.22Å; I226-P228 WeakPolarHBondContact O-CD 3.37Å; I226-L290 HydrophobicContact CD1-CB 3.95Å; I226-L290 HydrophobicContact CD1-CD1 4.36Å; I226-L290 HydrophobicContact CD1-CD2 4.31Å; I226-L290 HydrophobicContact CD1-CG 4.45Å; I226-L290 HydrophobicContact CG1-CD1 4.3Å; I226-L290 HydrophobicContact CG2-CD2 4.18Å; I226-R291 HydrophobicContact CD1-CB 4.36Å
227	F	92.6	Very high	85.8	Confident	75 Å²	75	56.4 Å²	56.4	33%	0.329	32%	0.321	S	S	.	.			trans	-124.3	79.3	-177.4	-52	-72.7	0	0	0	110.7	Y187 Y223 Q229	Y187-F227 WeakPolarHBondContact CE1-O 3.44Å; Y187-F227 PolarHBondContact OH-O 3.25Å; Y223-F227 HydrophobicContact CD1-CB 4.48Å; Y223-F227 HydrophobicContact CD1-CD2 4.5Å; Y223-F227 AromaticContact CD2-CD2 3.86Å; Y223-F227 HydrophobicContact CD2-CD2 3.86Å; Y223-F227 HydrophobicContact CD2-CE2 4.34Å; Y223-F227 HydrophobicContact CE1-CB 4.05Å; Y223-F227 HydrophobicContact CE1-CD2 4.11Å; Y223-F227 HydrophobicContact CE1-CG 4.46Å; Y223-F227 AromaticContact CE2-CD2 3.38Å; Y223-F227 HydrophobicContact CE2-CD2 3.38Å; Y223-F227 AromaticContact CE2-CE2 3.75Å; Y223-F227 HydrophobicContact CE2-CE2 3.75Å; Y223-F227 HydrophobicContact CE2-CG 4.4Å; Y223-F227 HydrophobicContact CG-CD2 4.38Å; Y223-F227 AromaticContact CZ-CD2 3.52Å; Y223-F227 PolarHBondContact O-N 3.49Å; F227-Q229 VanDerWaalsContact C-N 3.33Å; F227-Q229 PolarHBondContact O-N 2.9Å
228	P	90.8	Very high	84.4	Confident	56 Å²	56	55.4 Å²	55.4	36%	0.364	32%	0.319	S	S	.	.	S	Bend	trans	-66.6	-35.2	-171.7	-19.6	32.6	0	0	0	113.4	R224 I226	R224-P228 VanDerWaalsContact O-CA 3.28Å; R224-P228 WeakPolarHBondContact O-CA 3.48Å; R224-P228 WeakPolarHBondContact O-CG 3.38Å; I226-P228 WeakPolarHBondContact O-CD 3.37Å
229	Q	87.3	Confident	83	Confident	161 Å²	161	49.9 Å²	49.9	75%	0.752	29%	0.291	S	S	*	.	S	Bend	trans	-118.4	142.1	178.1	-68.3	-178.5	-10	0	0	109.4	Y187 F227	Y187-Q229 VanDerWaalsContact OH-C 3.24Å; Y187-Q229 PolarHBondContact OH-O 3.49Å; F227-Q229 VanDerWaalsContact C-N 3.33Å; F227-Q229 PolarHBondContact O-N 2.9Å
230	P	84.9	Confident	81.9	Confident	28 Å²	28	49.4 Å²	49.4	18%	0.182	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-66.2	147.4	176.4	28	-32.7	0	0	0	109.7	V183 Y187 F315 C316	V183-P230 HydrophobicContact CG1-CB 4.32Å; Y187-P230 HydrophobicContact CE2-CB 3.8Å; Y187-P230 WeakPolarHBondContact OH-CA 3.46Å; P230-F315 HydrophobicContact CB-CE1 4.47Å; P230-F315 VanDerWaalsContact CD-CE1 3.47Å; P230-F315 HydrophobicContact CG-CD1 4.08Å; P230-F315 HydrophobicContact CG-CE1 3.73Å; P230-F315 HydrophobicContact CG-CZ 4.01Å; P230-C316 HydrophobicContact CB-CB 4.37Å
231	P	78.9	Confident	80.6	Confident	55 Å²	55	52.8 Å²	52.8	36%	0.357	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-62.3	153.6	170.1	28.2	-35.2	0	0	0	110.5	A233 V236	P231-A233 PolarHBondContact O-N 3.24Å; P231-V236 HydrophobicContact CB-CG2 4.22Å; P231-V236 HydrophobicContact CG-CG2 3.62Å
232	P	75.4	Confident	79.5	Confident	91 Å²	91	53.4 Å²	53.4	59%	0.591	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-54.7	132.1	173.4	-22.5	32.2	0	0	0	110.8	E234 T235	P232-E234 PolarHBondContact O-N 2.85Å; P232-T235 HydrophobicContact CB-CG2 4.22Å; P232-T235 HydrophobicContact CG-CG2 4.48Å; P232-T235 PolarHBondContact O-N 3.07Å; P232-T235 PolarHBondContact O-OG1 2.88Å
233	A	70.8	Confident	78.9	Confident	28 Å²	28	55.1 Å²	55.1	23%	0.231	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-54.2	-33.2	-173.4	0	0	0	0	0	113.7	P231 T235 V236 G317	P231-A233 PolarHBondContact O-N 3.24Å; A233-T235 PolarHBondContact O-N 3.49Å; A233-V236 PolarHBondContact O-N 3.34Å; A233-G317 WeakPolarHBondContact CB-O 3.49Å
234	E	65.9	Low	78.6	Confident	188 Å²	188	55.9 Å²	55.9	88%	0.879	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-68.5	-18.6	178.4	-58.2	-172.7	-145.1	0	0	114.2	P232	P232-E234 PolarHBondContact O-N 2.85Å
235	T	65.6	Low	78.5	Confident	92 Å²	92	60.3 Å²	60.3	56%	0.564	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-95.1	-7.8	-179.8	66.2	0	0	0	0	113	P232 A233	P232-T235 HydrophobicContact CB-CG2 4.22Å; P232-T235 HydrophobicContact CG-CG2 4.48Å; P232-T235 PolarHBondContact O-N 3.07Å; P232-T235 PolarHBondContact O-OG1 2.88Å; A233-T235 PolarHBondContact O-N 3.49Å
236	V	69.9	Low	78.4	Confident	50 Å²	50	61.1 Å²	61.1	30%	0.303	36%	0.356	S	S	.	.			trans	-85.6	123.5	-178.3	-178.6	0	0	0	0	109.3	V183 P231 A233	V183-V236 HydrophobicContact CG2-CG1 3.73Å; V183-V236 HydrophobicContact CG2-CG2 4.16Å; P231-V236 HydrophobicContact CB-CG2 4.22Å; P231-V236 HydrophobicContact CG-CG2 3.62Å; A233-V236 PolarHBondContact O-N 3.34Å
237	T	65.9	Low	78.5	Confident	68 Å²	68	64.3 Å²	64.3	42%	0.417	38%	0.376	S	S	.	.			trans	-109.5	129	171.9	-48.8	0	0	0	0	109	L206 D241 G242	L206-T237 HydrophobicContact CD1-CG2 4.32Å; L206-T237 HydrophobicContact CD2-CG2 4.45Å; T237-D241 HydrophobicContact CG2-CB 4.19Å; T237-G242 VanDerWaalsContact CG2-CA 3.5Å
238	N	67.7	Low	78.7	Confident	25 Å²	25	60.8 Å²	60.8	13%	0.134	36%	0.361	C	S	.	.			trans	-100.1	179	175.1	70.3	16.8	0	0	0	111.2	L206 A240 D241 G242 D322	L206-N238 WeakPolarHBondContact CD1-O 3.3Å; N238-A240 VanDerWaalsContact C-N 3.3Å; N238-A240 PolarHBondContact O-N 3.42Å; N238-A240 WeakPolarHBondContact OD1-CB 3.3Å; N238-A240 PolarHBondContact OD1-N 3.44Å; N238-A240 VanDerWaalsContact OD1-N 3.07Å; N238-D241 PolarHBondContact O-N 3.1Å; N238-D241 WeakPolarHBondContact OD1-CB 3.37Å; N238-D241 PolarHBondContact OD1-N 3.36Å; N238-D241 PolarHBondContact OD1-OD2 3.21Å; N238-G242 PolarHBondContact O-N 3.06Å; N238-D322 PolarHBondContact ND2-O 3.44Å
239	C	63.3	Low	79	Confident	21 Å²	21	58.4 Å²	58.4	14%	0.142	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-33.1	-179.9	-71	0	0	0	0	113.2	A205 G243 V244	A205-C239 PolarHBondContact O-SG 2.9Å; A205-C239 VanDerWaalsContact O-SG 3.4Å; C239-G243 VanDerWaalsContact O-CA 3.3Å; C239-G243 WeakPolarHBondContact O-CA 3.26Å; C239-G243 PolarHBondContact O-N 3.29Å; C239-V244 HydrophobicContact CB-CB 4.36Å; C239-V244 HydrophobicContact CB-CG1 3.9Å
240	A	67.4	Low	79.5	Confident	41 Å²	41	51.8 Å²	51.8	34%	0.339	32%	0.32	S	S	.	.	H	α-helix	trans	-68.6	-37.8	-179.5	0	0	0	0	0	112.2	N238	N238-A240 VanDerWaalsContact C-N 3.3Å; N238-A240 PolarHBondContact O-N 3.42Å; N238-A240 WeakPolarHBondContact OD1-CB 3.3Å; N238-A240 PolarHBondContact OD1-N 3.44Å; N238-A240 VanDerWaalsContact OD1-N 3.07Å
241	D	67.5	Low	80.1	Confident	82 Å²	82	53.2 Å²	53.2	44%	0.439	33%	0.326	S	S	.	.	H	α-helix	trans	-86.3	-43.2	179.3	-69.9	-32.1	0	0	0	112.6	T237 N238 C324	T237-D241 HydrophobicContact CG2-CB 4.19Å; N238-D241 PolarHBondContact O-N 3.1Å; N238-D241 WeakPolarHBondContact OD1-CB 3.37Å; N238-D241 PolarHBondContact OD1-N 3.36Å; N238-D241 PolarHBondContact OD1-OD2 3.21Å; D241-C324 PolarHBondContact OD1-SG 3.48Å
242	G	74.6	Confident	81.1	Confident	17 Å²	17	50.7 Å²	50.7	18%	0.175	31%	0.309	C	S	.	.	H	α-helix	trans	-90.7	-12.9	-171.8	0	0	0	0	0	115.1	R207 T237 N238	R207-G242 VanDerWaalsContact CG-O 3.27Å; R207-G242 WeakPolarHBondContact CG-O 3.39Å; T237-G242 VanDerWaalsContact CG2-CA 3.5Å; N238-G242 PolarHBondContact O-N 3.06Å
243	G	84.8	Confident	82.2	Confident	36 Å²	36	46.3 Å²	46.3	37%	0.371	28%	0.281	S	S	.	.			trans	70.5	157.4	-168.3	0	0	0	0	0	112.7	R207 C239	R207-G243 WeakPolarHBondContact CA-O 3.31Å; R207-G243 PolarHBondContact N-O 3.26Å; C239-G243 VanDerWaalsContact O-CA 3.3Å; C239-G243 WeakPolarHBondContact O-CA 3.26Å; C239-G243 PolarHBondContact O-N 3.29Å
244	V	90.9	Very high	83.5	Confident	31 Å²	31	47.2 Å²	47.2	19%	0.188	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-149.8	133.9	174.7	64.2	0	0	0	0	110.5	A205 C239 G246 T249	A205-V244 HydrophobicContact CB-CG2 4.05Å; C239-V244 HydrophobicContact CB-CB 4.36Å; C239-V244 HydrophobicContact CB-CG1 3.9Å; V244-G246 PolarHBondContact O-N 2.86Å; V244-T249 HydrophobicContact CG2-CG2 3.7Å
245	F	93.7	Very high	85.1	Confident	105 Å²	105	39.7 Å²	39.7	46%	0.461	25%	0.25	S	S	.	.			trans	-79.7	118.2	175.3	-171.7	-128.5	0	0	0	109.5	R207 F208 V247 V248	R207-F245 PolarHBondContact O-N 3.4Å; F208-F245 HydrophobicContact CD1-CB 4.17Å; F208-F245 HydrophobicContact CD1-CD1 4.19Å; F208-F245 HydrophobicContact CD1-CG 4.37Å; F208-F245 HydrophobicContact CE1-CB 4.02Å; F208-F245 AromaticContact CE1-CD1 3.92Å; F208-F245 HydrophobicContact CE1-CD1 3.92Å; F208-F245 AromaticContact CE1-CG 3.92Å; F208-F245 HydrophobicContact CE1-CG 3.92Å; F208-F245 HydrophobicContact CZ-CB 4.4Å; F208-F245 HydrophobicContact CZ-CG 4.48Å; F245-V247 HydrophobicContact CD1-CB 4.03Å; F245-V247 HydrophobicContact CD1-CG2 4.46Å; F245-V247 HydrophobicContact CE1-CB 3.77Å; F245-V247 HydrophobicContact CE1-CG2 3.84Å; F245-V247 HydrophobicContact CZ-CB 4.41Å; F245-V247 HydrophobicContact CZ-CG2 3.98Å; F245-V247 PolarHBondContact O-N 3.06Å; F245-V247 VanDerWaalsContact O-N 3.08Å; F245-V248 HydrophobicContact CB-CG2 4.05Å; F245-V248 HydrophobicContact CD1-CG2 4.17Å; F245-V248 VanDerWaalsContact O-CB 3.27Å; F245-V248 WeakPolarHBondContact O-CB 3.43Å; F245-V248 PolarHBondContact O-N 3.43Å
246	G	94.3	Very high	86.6	Confident	17 Å²	17	35.3 Å²	35.3	18%	0.175	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-28.1	-168.7	0	0	0	0	0	115	R124 V244 V248 T249 G250	R124-G246 VanDerWaalsContact CB-CA 3.5Å; V244-G246 PolarHBondContact O-N 2.86Å; G246-V248 VanDerWaalsContact C-N 3.27Å; G246-V248 PolarHBondContact O-N 3.47Å; G246-T249 PolarHBondContact O-N 2.9Å; G246-T249 PolarHBondContact O-OG1 3.31Å; G246-G250 PolarHBondContact O-N 3.18Å
247	V	96.4	Very high	88	Confident	84 Å²	84	33 Å²	33	51%	0.509	21%	0.21	S	C	.	.	H	α-helix	trans	-65.5	-32.2	174.8	-178.4	0	0	0	0	111.6	F245 G250 I251	F245-V247 HydrophobicContact CD1-CB 4.03Å; F245-V247 HydrophobicContact CD1-CG2 4.46Å; F245-V247 HydrophobicContact CE1-CB 3.77Å; F245-V247 HydrophobicContact CE1-CG2 3.84Å; F245-V247 HydrophobicContact CZ-CB 4.41Å; F245-V247 HydrophobicContact CZ-CG2 3.98Å; F245-V247 PolarHBondContact O-N 3.06Å; F245-V247 VanDerWaalsContact O-N 3.08Å; V247-G250 WeakPolarHBondContact O-CA 3.33Å; V247-G250 PolarHBondContact O-N 3.24Å; V247-I251 HydrophobicContact CG1-CD1 3.97Å; V247-I251 HydrophobicContact CG1-CG1 4.35Å; V247-I251 WeakPolarHBondContact O-CG1 3.45Å; V247-I251 PolarHBondContact O-N 3.37Å
248	V	97.3	Very high	89.6	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-48	176.5	-178.2	0	0	0	0	110.3	A205 F245 G246 G250 I251 L252 F278 A280	A205-V248 HydrophobicContact CB-CG1 3.89Å; F245-V248 HydrophobicContact CB-CG2 4.05Å; F245-V248 HydrophobicContact CD1-CG2 4.17Å; F245-V248 VanDerWaalsContact O-CB 3.27Å; F245-V248 WeakPolarHBondContact O-CB 3.43Å; F245-V248 PolarHBondContact O-N 3.43Å; G246-V248 VanDerWaalsContact C-N 3.27Å; G246-V248 PolarHBondContact O-N 3.47Å; V248-G250 PolarHBondContact O-N 2.65Å; V248-I251 PolarHBondContact O-N 3.4Å; V248-L252 HydrophobicContact CG1-CD2 3.96Å; V248-L252 VanDerWaalsContact O-CD2 3.25Å; V248-L252 WeakPolarHBondContact O-CD2 3.44Å; V248-L252 PolarHBondContact O-N 3.06Å; V248-F278 HydrophobicContact CG1-CD1 4.22Å; V248-F278 HydrophobicContact CG1-CE1 4.43Å; V248-F278 HydrophobicContact CG2-CE1 4.47Å; V248-A280 HydrophobicContact CG2-CB 3.63Å
249	T	96.8	Very high	91.1	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-35.8	174.4	54	0	0	0	0	111.5	G92 L93 A205 V244 G246 G253	G92-T249 CarbonylContact O-C 3.53Å; G92-T249 WeakPolarHBondContact O-CB 3.03Å; L93-T249 HydrophobicContact CG-CG2 4.41Å; A205-T249 HydrophobicContact CB-CG2 3.69Å; V244-T249 HydrophobicContact CG2-CG2 3.7Å; G246-T249 PolarHBondContact O-N 2.9Å; G246-T249 PolarHBondContact O-OG1 3.31Å; T249-G253 PolarHBondContact O-N 3.06Å
250	G	97.9	Very high	92.8	Very high	22 Å²	22	31.7 Å²	31.7	23%	0.227	20%	0.199	C	C	.	.	H	α-helix	trans	-53.3	-57.5	170.3	0	0	0	0	0	113.1	G246 V247 V248 G253 C254	G246-G250 PolarHBondContact O-N 3.18Å; V247-G250 WeakPolarHBondContact O-CA 3.33Å; V247-G250 PolarHBondContact O-N 3.24Å; V248-G250 PolarHBondContact O-N 2.65Å; G250-G253 PolarHBondContact O-N 2.8Å; G250-C254 PolarHBondContact O-N 2.97Å; G250-C254 PolarHBondContact O-SG 2.91Å
251	I	98.2	Very high	94.3	Very high	58 Å²	58	31.4 Å²	31.4	30%	0.297	19%	0.191	S	C	.	.	H	α-helix	trans	-60.4	-48.3	-179.4	-68.8	165.6	0	0	0	110.8	V247 V248 G253 C254 L255 F278 F285	V247-I251 HydrophobicContact CG1-CD1 3.97Å; V247-I251 HydrophobicContact CG1-CG1 4.35Å; V247-I251 WeakPolarHBondContact O-CG1 3.45Å; V247-I251 PolarHBondContact O-N 3.37Å; V248-I251 PolarHBondContact O-N 3.4Å; I251-G253 PolarHBondContact O-N 3.46Å; I251-C254 WeakPolarHBondContact O-CB 3.33Å; I251-C254 PolarHBondContact O-N 2.86Å; I251-L255 HydrophobicContact CG2-CD1 4.08Å; I251-L255 WeakPolarHBondContact O-CG 3.29Å; I251-L255 PolarHBondContact O-N 2.84Å; I251-F278 HydrophobicContact CB-CE1 4.39Å; I251-F278 HydrophobicContact CD1-CE1 3.64Å; I251-F278 HydrophobicContact CD1-CZ 3.67Å; I251-F278 HydrophobicContact CG2-CD1 4.35Å; I251-F278 HydrophobicContact CG2-CE1 4.2Å; I251-F285 HydrophobicContact CG2-CZ 4.43Å
252	L	98.3	Very high	95.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-67.1	-37	-177.5	-86.2	-60.9	0	0	0	112	L93 I212 V248 L255 Q256 F278	L93-L252 HydrophobicContact CD2-CB 3.55Å; I212-L252 HydrophobicContact CB-CD1 4.21Å; I212-L252 HydrophobicContact CG2-CD1 4.17Å; V248-L252 HydrophobicContact CG1-CD2 3.96Å; V248-L252 VanDerWaalsContact O-CD2 3.25Å; V248-L252 WeakPolarHBondContact O-CD2 3.44Å; V248-L252 PolarHBondContact O-N 3.06Å; L252-L255 HydrophobicContact CD1-CD1 4.28Å; L252-L255 PolarHBondContact O-N 3.2Å; L252-Q256 WeakPolarHBondContact O-CB 3.43Å; L252-Q256 PolarHBondContact O-N 3.41Å; L252-F278 HydrophobicContact CD2-CB 4.17Å; L252-F278 HydrophobicContact CD2-CD1 3.66Å; L252-F278 HydrophobicContact CD2-CG 4.32Å
253	G	98.5	Very high	96.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69	-33.5	174.5	0	0	0	0	0	113.3	T249 G250 I251 Q256 A257	T249-G253 PolarHBondContact O-N 3.06Å; G250-G253 PolarHBondContact O-N 2.8Å; I251-G253 PolarHBondContact O-N 3.46Å; G253-Q256 WeakPolarHBondContact O-CB 3.31Å; G253-Q256 PolarHBondContact O-N 2.99Å; G253-A257 PolarHBondContact O-N 3.26Å
254	C	98.8	Very high	97.5	Very high	46 Å²	46	27.5 Å²	27.5	31%	0.311	16%	0.157	S	C	.	.	H	α-helix	trans	-65	-42.6	169.7	-70	0	0	0	0	112.3	Y100 G250 I251 Q256 A257 L258	Y100-C254 WeakPolarHBondContact CE2-SG 3.23Å; G250-C254 PolarHBondContact O-N 2.97Å; G250-C254 PolarHBondContact O-SG 2.91Å; I251-C254 WeakPolarHBondContact O-CB 3.33Å; I251-C254 PolarHBondContact O-N 2.86Å; C254-Q256 VanDerWaalsContact C-N 3.3Å; C254-Q256 PolarHBondContact O-N 3.1Å; C254-A257 WeakPolarHBondContact O-CB 3.25Å; C254-A257 PolarHBondContact O-N 3.47Å; C254-L258 PolarHBondContact O-N 3.08Å
255	L	98.6	Very high	97.9	Very high	30 Å²	30	26.2 Å²	26.2	16%	0.157	15%	0.15	C	C	.	.	H	α-helix	trans	-63.5	-38.6	174.1	-71.3	168.8	0	0	0	111.3	I212 I251 L252 L258 E259 L276 F285	I212-L255 HydrophobicContact CD1-CB 4.16Å; I251-L255 HydrophobicContact CG2-CD1 4.08Å; I251-L255 WeakPolarHBondContact O-CG 3.29Å; I251-L255 PolarHBondContact O-N 2.84Å; L252-L255 HydrophobicContact CD1-CD1 4.28Å; L252-L255 PolarHBondContact O-N 3.2Å; L255-L258 WeakPolarHBondContact O-CB 3.25Å; L255-L258 PolarHBondContact O-N 2.99Å; L255-E259 PolarHBondContact O-N 3.28Å; L255-E259 VanDerWaalsContact O-N 3.1Å; L255-L276 HydrophobicContact CD1-CD2 3.84Å; L255-F285 HydrophobicContact CD1-CE1 4.1Å
256	Q	98.6	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.9	-42.9	173.9	-163.6	170.8	22.7	0	0	111.4	L97 A177 D178 C179 V201 A203 I212 L252 G253 C254 L258 E259 V260	L97-Q256 HydrophobicContact CD1-CB 4.19Å; L97-Q256 HydrophobicContact CD1-CG 4.14Å; L97-Q256 HydrophobicContact CD2-CG 4.22Å; A177-Q256 HydrophobicContact CB-CG 4.5Å; D178-Q256 PolarHBondContact O-NE2 3.31Å; C179-Q256 PolarHBondContact SG-OE1 3.49Å; V201-Q256 HydrophobicContact CB-CG 4.31Å; V201-Q256 HydrophobicContact CG1-CG 3.65Å; V201-Q256 PolarHBondContact O-NE2 2.77Å; A203-Q256 HydrophobicContact CB-CB 4.42Å; A203-Q256 HydrophobicContact CB-CG 4.4Å; I212-Q256 HydrophobicContact CD1-CB 4.05Å; I212-Q256 HydrophobicContact CD1-CG 4.5Å; L252-Q256 WeakPolarHBondContact O-CB 3.43Å; L252-Q256 PolarHBondContact O-N 3.41Å; G253-Q256 WeakPolarHBondContact O-CB 3.31Å; G253-Q256 PolarHBondContact O-N 2.99Å; C254-Q256 VanDerWaalsContact C-N 3.3Å; C254-Q256 PolarHBondContact O-N 3.1Å; Q256-L258 VanDerWaalsContact C-N 3.32Å; Q256-L258 PolarHBondContact O-N 3.45Å; Q256-E259 PolarHBondContact O-N 3.37Å; Q256-V260 WeakPolarHBondContact O-CG2 3.45Å; Q256-V260 PolarHBondContact O-N 3.11Å
257	A	98.9	Very high	98.2	Very high	2 Å²	2	26.1 Å²	26.1	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-43.3	175.1	0	0	0	0	0	111.7	L97 L101 G253 C254 E259 V260 L261	L97-A257 HydrophobicContact CD1-CB 3.71Å; L97-A257 VanDerWaalsContact CD1-N 3.28Å; L101-A257 HydrophobicContact CD2-CB 4.44Å; G253-A257 PolarHBondContact O-N 3.26Å; C254-A257 WeakPolarHBondContact O-CB 3.25Å; C254-A257 PolarHBondContact O-N 3.47Å; A257-E259 PolarHBondContact O-N 3.06Å; A257-V260 PolarHBondContact O-N 2.82Å; A257-L261 WeakPolarHBondContact O-CB 3.42Å; A257-L261 VanDerWaalsContact O-CG 3.23Å; A257-L261 WeakPolarHBondContact O-CG 3.24Å; A257-L261 PolarHBondContact O-N 3.36Å
258	L	98.8	Very high	98.2	Very high	87 Å²	87	22.9 Å²	22.9	46%	0.455	14%	0.141	S	C	.	.	H	α-helix	trans	-59.7	-45.4	178.2	-179.6	61.2	0	0	0	111.9	C254 L255 Q256 K262	C254-L258 PolarHBondContact O-N 3.08Å; L255-L258 WeakPolarHBondContact O-CB 3.25Å; L255-L258 PolarHBondContact O-N 2.99Å; Q256-L258 VanDerWaalsContact C-N 3.32Å; Q256-L258 PolarHBondContact O-N 3.45Å; L258-K262 HydrophobicContact CD1-CG 4.47Å; L258-K262 WeakPolarHBondContact O-CB 3.3Å; L258-K262 WeakPolarHBondContact O-CG 3.09Å; L258-K262 PolarHBondContact O-N 3.49Å
259	E	98.8	Very high	98.2	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.2	-44.9	177	-67.3	-57	107.8	0	0	112	V201 I212 V214 L255 Q256 A257 L261 K262 I263 P269 S270 Y271	V201-E259 HydrophobicContact CG1-CB 3.72Å; V201-E259 HydrophobicContact CG1-CG 4.33Å; V201-E259 HydrophobicContact CG2-CB 4.23Å; I212-E259 HydrophobicContact CD1-CG 3.97Å; V214-E259 HydrophobicContact CG2-CB 4.07Å; V214-E259 HydrophobicContact CG2-CG 4.07Å; L255-E259 PolarHBondContact O-N 3.28Å; L255-E259 VanDerWaalsContact O-N 3.1Å; Q256-E259 PolarHBondContact O-N 3.37Å; A257-E259 PolarHBondContact O-N 3.06Å; E259-L261 PolarHBondContact O-N 3.43Å; E259-K262 PolarHBondContact O-N 2.88Å; E259-K262 WeakPolarHBondContact OE1-CE 3.35Å; E259-K262 IonicContact OE1-NZ 3.24Å; E259-K262 PolarHBondContact OE1-NZ 2.78Å; E259-K262 IonicContact OE2-NZ 2.61Å; E259-I263 VanDerWaalsContact O-CG1 3.29Å; E259-I263 WeakPolarHBondContact O-CG1 3.42Å; E259-I263 PolarHBondContact O-N 3.43Å; E259-P269 WeakPolarHBondContact OE2-CA 3.35Å; E259-P269 VanDerWaalsContact OE2-CB 3.28Å; E259-P269 WeakPolarHBondContact OE2-CB 3.3Å; E259-S270 PolarHBondContact OE2-N 2.97Å; E259-Y271 HydrophobicContact CG-CD2 3.66Å; E259-Y271 HydrophobicContact CG-CE2 4.15Å; E259-Y271 PolarHBondContact OE2-N 2.9Å; E259-Y271 VanDerWaalsContact OE2-N 3.11Å
260	V	98.9	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-45.6	178	171.4	0	0	0	0	111.1	V85 L97 L101 V175 A177 V201 Q256 A257 K262 I263 A264	V85-V260 HydrophobicContact CB-CG1 4.37Å; V85-V260 HydrophobicContact CG1-CG1 3.84Å; V85-V260 HydrophobicContact CG2-CG1 3.57Å; L97-V260 HydrophobicContact CD1-CG2 4.35Å; L101-V260 HydrophobicContact CD1-CG1 4.05Å; L101-V260 HydrophobicContact CD2-CB 3.98Å; L101-V260 HydrophobicContact CD2-CG1 3.61Å; L101-V260 HydrophobicContact CG-CG1 4.49Å; V175-V260 HydrophobicContact CG1-CG1 4.21Å; V175-V260 HydrophobicContact CG1-CG2 4.18Å; A177-V260 HydrophobicContact CB-CG2 4.29Å; V201-V260 HydrophobicContact CB-CG2 3.95Å; V201-V260 HydrophobicContact CG1-CG2 4.38Å; V201-V260 HydrophobicContact CG2-CG2 3.66Å; Q256-V260 WeakPolarHBondContact O-CG2 3.45Å; Q256-V260 PolarHBondContact O-N 3.11Å; A257-V260 PolarHBondContact O-N 2.82Å; V260-K262 PolarHBondContact O-N 2.71Å; V260-I263 PolarHBondContact O-N 3.45Å; V260-A264 WeakPolarHBondContact O-CB 3.25Å; V260-A264 PolarHBondContact O-N 3.22Å
261	L	98.8	Very high	98.1	Very high	34 Å²	34	28 Å²	28	18%	0.178	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-41.6	178.9	-71.7	172.8	0	0	0	111.8	L80 L101 A104 V106 A257 E259 A264 A265	L80-L261 HydrophobicContact CD1-CD2 4.3Å; L80-L261 HydrophobicContact CD2-CD2 3.71Å; L101-L261 HydrophobicContact CD2-CD2 3.7Å; L101-L261 HydrophobicContact CD2-CG 3.71Å; A104-L261 HydrophobicContact CB-CD1 3.83Å; A104-L261 HydrophobicContact CB-CD2 3.61Å; A104-L261 HydrophobicContact CB-CG 4.4Å; V106-L261 HydrophobicContact CG2-CD2 3.78Å; A257-L261 WeakPolarHBondContact O-CB 3.42Å; A257-L261 VanDerWaalsContact O-CG 3.23Å; A257-L261 WeakPolarHBondContact O-CG 3.24Å; A257-L261 PolarHBondContact O-N 3.36Å; E259-L261 PolarHBondContact O-N 3.43Å; L261-A264 PolarHBondContact O-N 2.82Å; L261-A265 VanDerWaalsContact O-CB 3.22Å; L261-A265 WeakPolarHBondContact O-CB 3.28Å; L261-A265 PolarHBondContact O-N 2.78Å
262	K	98.7	Very high	98	Very high	32 Å²	32	27 Å²	27	14%	0.139	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-42.6	175.4	-75.5	-174	-57.6	-168.7	0	112.1	L258 E259 V260 G266 L267 G268 S270	L258-K262 HydrophobicContact CD1-CG 4.47Å; L258-K262 WeakPolarHBondContact O-CB 3.3Å; L258-K262 WeakPolarHBondContact O-CG 3.09Å; L258-K262 PolarHBondContact O-N 3.49Å; E259-K262 PolarHBondContact O-N 2.88Å; E259-K262 WeakPolarHBondContact OE1-CE 3.35Å; E259-K262 IonicContact OE1-NZ 3.24Å; E259-K262 PolarHBondContact OE1-NZ 2.78Å; E259-K262 IonicContact OE2-NZ 2.61Å; V260-K262 PolarHBondContact O-N 2.71Å; K262-G266 CarbonylContact O-C 3.42Å; K262-G266 WeakPolarHBondContact O-CA 3.48Å; K262-G266 PolarHBondContact O-N 2.92Å; K262-L267 HydrophobicContact CB-CB 4.11Å; K262-L267 HydrophobicContact CG-CB 4.25Å; K262-L267 HydrophobicContact CG-CD1 4.26Å; K262-L267 PolarHBondContact O-N 2.98Å; K262-G268 WeakPolarHBondContact CB-O 3.33Å; K262-G268 PolarHBondContact O-N 3.22Å; K262-S270 PolarHBondContact NZ-OG 3.37Å
263	I	98.6	Very high	97.9	Very high	13 Å²	13	27.8 Å²	27.8	7%	0.067	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-49.4	176	-67.6	164.7	0	0	0	110.3	V175 P199 V201 V214 Y217 E259 V260 A265 G266 P269	V175-I263 HydrophobicContact CG1-CD1 4.48Å; V175-I263 HydrophobicContact CG1-CG2 4.45Å; V175-I263 HydrophobicContact CG2-CB 4.34Å; V175-I263 HydrophobicContact CG2-CG2 3.56Å; P199-I263 HydrophobicContact CG-CG2 4.08Å; V201-I263 HydrophobicContact CG2-CD1 3.66Å; V214-I263 HydrophobicContact CG1-CD1 3.89Å; Y217-I263 HydrophobicContact CD2-CD1 4.36Å; Y217-I263 HydrophobicContact CD2-CG1 4.17Å; Y217-I263 HydrophobicContact CD2-CG2 4.29Å; Y217-I263 HydrophobicContact CE2-CG1 4.07Å; Y217-I263 HydrophobicContact CE2-CG2 3.99Å; E259-I263 VanDerWaalsContact O-CG1 3.29Å; E259-I263 WeakPolarHBondContact O-CG1 3.42Å; E259-I263 PolarHBondContact O-N 3.43Å; V260-I263 PolarHBondContact O-N 3.45Å; I263-A265 PolarHBondContact O-N 3.03Å; I263-G266 WeakPolarHBondContact O-CA 3.36Å; I263-G266 PolarHBondContact O-N 2.96Å; I263-P269 HydrophobicContact CD1-CB 4.15Å; I263-P269 HydrophobicContact CG1-CB 4.04Å; I263-P269 HydrophobicContact CG1-CG 4.31Å
264	A	98.4	Very high	97.8	Very high	9 Å²	9	29.1 Å²	29.1	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-42.1	-178.1	0	0	0	0	0	112.5	R79 L80 A83 V260 L261 G266	R79-A264 PolarHBondContact NE-O 3.37Å; R79-A264 VanDerWaalsContact NE-O 3.13Å; R79-A264 PolarHBondContact NH2-O 2.78Å; L80-A264 HydrophobicContact CD2-CB 3.72Å; A83-A264 HydrophobicContact CB-CB 3.85Å; V260-A264 WeakPolarHBondContact O-CB 3.25Å; V260-A264 PolarHBondContact O-N 3.22Å; L261-A264 PolarHBondContact O-N 2.82Å; A264-G266 PolarHBondContact O-N 2.84Å
265	A	98	Very high	97.7	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.033	17%	0.173	C	C	.	.	H	α-helix	trans	-73.6	-12.7	172.9	0	0	0	0	0	113.5	L72 R79 L80 L261 I263 L267	L72-A265 HydrophobicContact CD1-CB 3.55Å; R79-A265 WeakPolarHBondContact CD-O 3.31Å; R79-A265 VanDerWaalsContact CZ-O 3.25Å; R79-A265 PolarHBondContact NE-O 3.35Å; R79-A265 PolarHBondContact NH1-O 2.94Å; L80-A265 HydrophobicContact CD2-CB 4.21Å; L80-A265 HydrophobicContact CG-CB 4.38Å; L261-A265 VanDerWaalsContact O-CB 3.22Å; L261-A265 WeakPolarHBondContact O-CB 3.28Å; L261-A265 PolarHBondContact O-N 2.78Å; I263-A265 PolarHBondContact O-N 3.03Å; A265-L267 HydrophobicContact CB-CD1 4.41Å; A265-L267 HydrophobicContact CB-CG 4.16Å
266	G	97	Very high	97.7	Very high	33 Å²	33	27 Å²	27	34%	0.34	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	38.6	-176.9	0	0	0	0	0	115.6	R79 K262 I263 A264 G268	R79-G266 VanDerWaalsContact CZ-N 3.35Å; R79-G266 VanDerWaalsContact NH1-CA 3.27Å; R79-G266 VanDerWaalsContact NH2-CA 3.26Å; K262-G266 CarbonylContact O-C 3.42Å; K262-G266 WeakPolarHBondContact O-CA 3.48Å; K262-G266 PolarHBondContact O-N 2.92Å; I263-G266 WeakPolarHBondContact O-CA 3.36Å; I263-G266 PolarHBondContact O-N 2.96Å; A264-G266 PolarHBondContact O-N 2.84Å; G266-G268 VanDerWaalsContact C-N 3.28Å
267	L	97.5	Very high	97.7	Very high	87 Å²	87	29.4 Å²	29.4	46%	0.455	18%	0.181	S	C	.	.	S	Bend	trans	-80.4	-15.4	164.6	-54.1	179.1	0	0	0	111.9	E71 K262 A265	E71-L267 HydrophobicContact CB-CD2 4.42Å; E71-L267 WeakPolarHBondContact O-CD2 3.17Å; K262-L267 HydrophobicContact CB-CB 4.11Å; K262-L267 HydrophobicContact CG-CB 4.25Å; K262-L267 HydrophobicContact CG-CD1 4.26Å; K262-L267 PolarHBondContact O-N 2.98Å; A265-L267 HydrophobicContact CB-CD1 4.41Å; A265-L267 HydrophobicContact CB-CG 4.16Å
268	G	96.6	Very high	97.6	Very high	16 Å²	16	30 Å²	30	17%	0.165	18%	0.183	C	C	.	.			trans	80.2	153.3	-175.6	0	0	0	0	0	113.1	K262 G266	K262-G268 WeakPolarHBondContact CB-O 3.33Å; K262-G268 PolarHBondContact O-N 3.22Å; G266-G268 VanDerWaalsContact C-N 3.28Å
269	P	97.1	Very high	97.6	Very high	24 Å²	24	27.7 Å²	27.7	16%	0.156	17%	0.172	C	C	.	.			trans	-78.4	154.9	-179.9	32.6	-35.2	0	0	0	112.3	V214 Y217 E259 I263	V214-P269 HydrophobicContact CB-CB 3.99Å; V214-P269 HydrophobicContact CB-CG 4.38Å; V214-P269 HydrophobicContact CG1-CB 3.97Å; V214-P269 HydrophobicContact CG1-CG 4.04Å; V214-P269 HydrophobicContact CG2-CB 3.68Å; Y217-P269 HydrophobicContact CD1-CG 3.48Å; Y217-P269 VanDerWaalsContact CD1-CG 3.48Å; Y217-P269 HydrophobicContact CD2-CG 4.12Å; Y217-P269 HydrophobicContact CE1-CG 3.79Å; Y217-P269 HydrophobicContact CE2-CG 4.38Å; Y217-P269 HydrophobicContact CG-CG 3.69Å; E259-P269 WeakPolarHBondContact OE2-CA 3.35Å; E259-P269 VanDerWaalsContact OE2-CB 3.28Å; E259-P269 WeakPolarHBondContact OE2-CB 3.3Å; I263-P269 HydrophobicContact CD1-CB 4.15Å; I263-P269 HydrophobicContact CG1-CB 4.04Å; I263-P269 HydrophobicContact CG1-CG 4.31Å
270	S	96.7	Very high	97.5	Very high	70 Å²	70	29.3 Å²	29.3	49%	0.49	19%	0.185	S	C	.	.	S	Bend	trans	-86.2	-27.8	169.3	-68.2	0	0	0	0	112.6	E259 K262	E259-S270 PolarHBondContact OE2-N 2.97Å; K262-S270 PolarHBondContact NZ-OG 3.37Å
271	Y	96.9	Very high	97.3	Very high	41 Å²	41	35.5 Å²	35.5	16%	0.161	22%	0.217	C	C	.	.			trans	-108	25.3	-171.8	-50.4	-57.3	0	0	0	113.8	I212 V214 E259 G273 L276	I212-Y271 HydrophobicContact CD1-CD2 4.5Å; I212-Y271 HydrophobicContact CG2-CD2 4.11Å; I212-Y271 HydrophobicContact CG2-CE2 4.25Å; V214-Y271 PolarHBondContact N-O 3.33Å; E259-Y271 HydrophobicContact CG-CD2 3.66Å; E259-Y271 HydrophobicContact CG-CE2 4.15Å; E259-Y271 PolarHBondContact OE2-N 2.9Å; E259-Y271 VanDerWaalsContact OE2-N 3.11Å; Y271-G273 PolarHBondContact O-N 2.58Å; Y271-L276 HydrophobicContact CD1-CB 4.06Å; Y271-L276 HydrophobicContact CE1-CB 3.87Å; Y271-L276 HydrophobicContact CE1-CD1 4.25Å; Y271-L276 HydrophobicContact CE1-CD2 4.25Å; Y271-L276 HydrophobicContact CE1-CG 4.35Å; Y271-L276 HydrophobicContact CE2-CD2 4.16Å
272	S	96.3	Very high	97.2	Very high	38 Å²	38	42.6 Å²	42.6	27%	0.266	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-75	122.5	164.4	-175.1	0	0	0	0	109.4	V214 S274	V214-S272 WeakPolarHBondContact O-CA 3.27Å; S272-S274 PolarHBondContact O-N 3.06Å
273	G	94.9	Very high	97	Very high	18 Å²	18	43.4 Å²	43.4	19%	0.186	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	15	-175.1	0	0	0	0	0	114.7	Y271 L290	Y271-G273 PolarHBondContact O-N 2.58Å; G273-L290 PolarHBondContact O-N 2.8Å
274	S	96.7	Very high	96.9	Very high	27 Å²	27	48.3 Å²	48.3	19%	0.189	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.5	176.9	-56.8	0	0	0	0	111.4	T213 S272 I288	T213-S274 PolarHBondContact OG1-O 3.31Å; S272-S274 PolarHBondContact O-N 3.06Å; S274-I288 CarbonylContact C-O 3.52Å; S274-I288 WeakPolarHBondContact CA-O 3.35Å
275	L	97.4	Very high	96.8	Very high	21 Å²	21	53.4 Å²	53.4	11%	0.11	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	113.9	176.1	-179.7	67.8	0	0	0	109.5	Q211 T213 L277 I288 L290	Q211-L275 HydrophobicContact CB-CD1 3.95Å; Q211-L275 HydrophobicContact CG-CD1 4.44Å; T213-L275 WeakPolarHBondContact OG1-CA 3.25Å; T213-L275 VanDerWaalsContact OG1-CD1 3.22Å; T213-L275 WeakPolarHBondContact OG1-CD1 3.33Å; L275-L277 HydrophobicContact CD2-CD2 3.83Å; L275-L277 HydrophobicContact CD2-CG 4.49Å; L275-L277 HydrophobicContact CG-CD2 3.89Å; L275-L277 HydrophobicContact CG-CG 4.41Å; L275-I288 PolarHBondContact N-O 3.33Å; L275-I288 PolarHBondContact O-N 2.8Å; L275-L290 HydrophobicContact CB-CD1 4.16Å; L275-L290 HydrophobicContact CB-CD2 3.87Å; L275-L290 HydrophobicContact CB-CG 4.02Å
276	L	98.3	Very high	96.8	Very high	10 Å²	10	61.2 Å²	61.2	5%	0.052	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.2	168.7	-177.3	75.1	0	0	0	108.5	Q211 I212 L255 Y271 F285 C287	Q211-L276 CarbonylContact C-O 3.56Å; Q211-L276 WeakPolarHBondContact CA-O 3.32Å; Q211-L276 WeakPolarHBondContact CB-O 3.41Å; I212-L276 HydrophobicContact CG2-CB 3.7Å; I212-L276 HydrophobicContact CG2-CD2 3.74Å; I212-L276 HydrophobicContact CG2-CG 4.26Å; I212-L276 PolarHBondContact N-O 3.45Å; I212-L276 PolarHBondContact O-N 3.03Å; L255-L276 HydrophobicContact CD1-CD2 3.84Å; Y271-L276 HydrophobicContact CD1-CB 4.06Å; Y271-L276 HydrophobicContact CE1-CB 3.87Å; Y271-L276 HydrophobicContact CE1-CD1 4.25Å; Y271-L276 HydrophobicContact CE1-CD2 4.25Å; Y271-L276 HydrophobicContact CE1-CG 4.35Å; Y271-L276 HydrophobicContact CE2-CD2 4.16Å; L276-F285 HydrophobicContact CD1-CB 4.22Å; L276-F285 HydrophobicContact CD1-CD1 4.14Å; L276-F285 HydrophobicContact CD2-CD1 4.03Å; L276-F285 HydrophobicContact CD2-CE1 4.43Å; L276-F285 HydrophobicContact CG-CD1 4.28Å; L276-C287 HydrophobicContact CD1-CB 4.46Å
277	L	98.1	Very high	96.8	Very high	52 Å²	52	63.3 Å²	63.3	27%	0.272	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.8	170.2	-57.6	179.2	0	0	0	108.9	G210 Q211 L275 F285 R286 I288	G210-L277 WeakPolarHBondContact O-CA 3.3Å; Q211-L277 HydrophobicContact CB-CD2 3.73Å; L275-L277 HydrophobicContact CD2-CD2 3.83Å; L275-L277 HydrophobicContact CD2-CG 4.49Å; L275-L277 HydrophobicContact CG-CD2 3.89Å; L275-L277 HydrophobicContact CG-CG 4.41Å; L277-F285 WeakPolarHBondContact O-CA 3.25Å; L277-R286 HydrophobicContact CB-CB 4.42Å; L277-R286 PolarHBondContact N-O 3.25Å; L277-R286 PolarHBondContact O-N 2.91Å; L277-I288 HydrophobicContact CD1-CD1 3.53Å; L277-I288 HydrophobicContact CD1-CG1 4.41Å; L277-I288 HydrophobicContact CG-CD1 4.33Å
278	F	98.1	Very high	96.8	Very high	14 Å²	14	62 Å²	62	6%	0.061	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.8	175.8	174.8	-124	0	0	0	109.6	E209 G210 V248 I251 L252 A280 H284 F285	E209-F278 CarbonylContact C-O 3.6Å; E209-F278 VanDerWaalsContact CA-O 3.29Å; E209-F278 WeakPolarHBondContact CA-O 3.39Å; G210-F278 PolarHBondContact N-O 2.67Å; G210-F278 PolarHBondContact O-N 2.76Å; V248-F278 HydrophobicContact CG1-CD1 4.22Å; V248-F278 HydrophobicContact CG1-CE1 4.43Å; V248-F278 HydrophobicContact CG2-CE1 4.47Å; I251-F278 HydrophobicContact CB-CE1 4.39Å; I251-F278 HydrophobicContact CD1-CE1 3.64Å; I251-F278 HydrophobicContact CD1-CZ 3.67Å; I251-F278 HydrophobicContact CG2-CD1 4.35Å; I251-F278 HydrophobicContact CG2-CE1 4.2Å; L252-F278 HydrophobicContact CD2-CB 4.17Å; L252-F278 HydrophobicContact CD2-CD1 3.66Å; L252-F278 HydrophobicContact CD2-CG 4.32Å; F278-A280 HydrophobicContact CD1-CB 4.4Å; F278-A280 HydrophobicContact CE1-CB 3.6Å; F278-A280 HydrophobicContact CZ-CB 3.73Å; F278-H284 WeakPolarHBondContact CA-O 3.28Å; F278-F285 HydrophobicContact CB-CD1 4.14Å; F278-F285 HydrophobicContact CB-CE1 3.96Å; F278-F285 AromaticContact CD2-CD1 3.82Å; F278-F285 HydrophobicContact CD2-CD1 3.82Å; F278-F285 HydrophobicContact CD2-CD2 4.19Å; F278-F285 AromaticContact CD2-CE1 3.38Å; F278-F285 HydrophobicContact CD2-CE1 3.38Å; F278-F285 AromaticContact CD2-CE2 3.78Å; F278-F285 HydrophobicContact CD2-CE2 3.78Å; F278-F285 HydrophobicContact CD2-CG 4.22Å; F278-F285 AromaticContact CD2-CZ 3.36Å; F278-F285 HydrophobicContact CD2-CZ 3.36Å; F278-F285 HydrophobicContact CE2-CD2 4.48Å; F278-F285 HydrophobicContact CE2-CE1 4.07Å; F278-F285 AromaticContact CE2-CE2 3.78Å; F278-F285 HydrophobicContact CE2-CE2 3.78Å; F278-F285 AromaticContact CE2-CZ 3.55Å; F278-F285 HydrophobicContact CE2-CZ 3.55Å; F278-F285 HydrophobicContact CG-CD1 4.33Å; F278-F285 AromaticContact CG-CE1 3.81Å; F278-F285 HydrophobicContact CG-CE1 3.81Å; F278-F285 HydrophobicContact CG-CZ 4.13Å; F278-F285 HydrophobicContact CZ-CZ 4.42Å
279	D	97.3	Very high	96.8	Very high	39 Å²	39	72 Å²	72	21%	0.209	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	108.1	171.1	173.7	-15.1	0	0	0	107.8	L281 R282 G283 H284	D279-L281 WeakPolarHBondContact OD1-CB 3.32Å; D279-L281 PolarHBondContact OD1-N 2.97Å; D279-R282 PolarHBondContact OD1-N 3.35Å; D279-R282 WeakPolarHBondContact OD2-CD 3.31Å; D279-R282 WeakPolarHBondContact OD2-CG 3.43Å; D279-G283 CarbonylContact O-C 3.49Å; D279-G283 VanDerWaalsContact O-CA 3.26Å; D279-G283 WeakPolarHBondContact O-CA 3.43Å; D279-G283 PolarHBondContact O-N 3.23Å; D279-H284 PolarHBondContact N-O 3.15Å; D279-H284 PolarHBondContact O-N 3.49Å
280	A	96.9	Very high	96.7	Very high	33 Å²	33	72.1 Å²	72.1	27%	0.273	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-20.8	-177.3	0	0	0	0	0	113.6	F208 V248 F278	F208-A280 HydrophobicContact CB-CB 4.24Å; F208-A280 HydrophobicContact CD1-CB 4.35Å; F208-A280 WeakPolarHBondContact O-CB 3.49Å; F208-A280 PolarHBondContact O-N 3.23Å; V248-A280 HydrophobicContact CG2-CB 3.63Å; F278-A280 HydrophobicContact CD1-CB 4.4Å; F278-A280 HydrophobicContact CE1-CB 3.6Å; F278-A280 HydrophobicContact CZ-CB 3.73Å
281	L	95	Very high	96.4	Very high	130 Å²	130	76.8 Å²	76.8	68%	0.681	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-40.1	175.8	-71.9	172.1	0	0	0	110.6	F208 D279	F208-L281 HydrophobicContact CB-CD1 4.19Å; F208-L281 HydrophobicContact CB-CD2 4.35Å; F208-L281 HydrophobicContact CB-CG 3.71Å; F208-L281 HydrophobicContact CD1-CD2 3.76Å; F208-L281 HydrophobicContact CD1-CG 4.04Å; F208-L281 HydrophobicContact CD2-CD1 4.43Å; F208-L281 HydrophobicContact CD2-CD2 4.15Å; F208-L281 HydrophobicContact CD2-CG 4.26Å; F208-L281 HydrophobicContact CE1-CD2 4.05Å; F208-L281 HydrophobicContact CE2-CD2 4.41Å; F208-L281 HydrophobicContact CG-CD1 4.32Å; F208-L281 HydrophobicContact CG-CD2 3.82Å; F208-L281 HydrophobicContact CG-CG 3.75Å; F208-L281 HydrophobicContact CZ-CD2 4.36Å; D279-L281 WeakPolarHBondContact OD1-CB 3.32Å; D279-L281 PolarHBondContact OD1-N 2.97Å
282	R	95.9	Very high	96.3	Very high	184 Å²	184	79.3 Å²	79.3	69%	0.694	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-14.3	179.2	-61.1	-176.2	177.2	-176.9	-1.2	113.3	D279 H284	D279-R282 PolarHBondContact OD1-N 3.35Å; D279-R282 WeakPolarHBondContact OD2-CD 3.31Å; D279-R282 WeakPolarHBondContact OD2-CG 3.43Å; R282-H284 VanDerWaalsContact C-N 3.29Å; R282-H284 HydrophobicContact CB-CB 4.41Å; R282-H284 PolarHBondContact O-CD2 3.34Å; R282-H284 VanDerWaalsContact O-CD2 3.26Å
283	G	94.6	Very high	96.2	Very high	49 Å²	49	82.8 Å²	82.8	51%	0.505	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	26.6	-173.5	0	0	0	0	0	113.1	D279	D279-G283 CarbonylContact O-C 3.49Å; D279-G283 VanDerWaalsContact O-CA 3.26Å; D279-G283 WeakPolarHBondContact O-CA 3.43Å; D279-G283 PolarHBondContact O-N 3.23Å
284	H	96.2	Very high	96.3	Very high	116 Å²	116	85.8 Å²	85.8	54%	0.537	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	137.2	-173.8	-72.3	-178.5	0	0	0	112.1	F278 D279 R282	F278-H284 WeakPolarHBondContact CA-O 3.28Å; D279-H284 PolarHBondContact N-O 3.15Å; D279-H284 PolarHBondContact O-N 3.49Å; R282-H284 VanDerWaalsContact C-N 3.29Å; R282-H284 HydrophobicContact CB-CB 4.41Å; R282-H284 PolarHBondContact O-CD2 3.34Å; R282-H284 VanDerWaalsContact O-CD2 3.26Å
285	F	97.4	Very high	96.2	Very high	116 Å²	116	89.7 Å²	89.7	51%	0.509	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.2	166.5	-69.6	-87.1	0	0	0	109.6	I251 L255 L276 L277 F278	I251-F285 HydrophobicContact CG2-CZ 4.43Å; L255-F285 HydrophobicContact CD1-CE1 4.1Å; L276-F285 HydrophobicContact CD1-CB 4.22Å; L276-F285 HydrophobicContact CD1-CD1 4.14Å; L276-F285 HydrophobicContact CD2-CD1 4.03Å; L276-F285 HydrophobicContact CD2-CE1 4.43Å; L276-F285 HydrophobicContact CG-CD1 4.28Å; L277-F285 WeakPolarHBondContact O-CA 3.25Å; F278-F285 HydrophobicContact CB-CD1 4.14Å; F278-F285 HydrophobicContact CB-CE1 3.96Å; F278-F285 AromaticContact CD2-CD1 3.82Å; F278-F285 HydrophobicContact CD2-CD1 3.82Å; F278-F285 HydrophobicContact CD2-CD2 4.19Å; F278-F285 AromaticContact CD2-CE1 3.38Å; F278-F285 HydrophobicContact CD2-CE1 3.38Å; F278-F285 AromaticContact CD2-CE2 3.78Å; F278-F285 HydrophobicContact CD2-CE2 3.78Å; F278-F285 HydrophobicContact CD2-CG 4.22Å; F278-F285 AromaticContact CD2-CZ 3.36Å; F278-F285 HydrophobicContact CD2-CZ 3.36Å; F278-F285 HydrophobicContact CE2-CD2 4.48Å; F278-F285 HydrophobicContact CE2-CE1 4.07Å; F278-F285 AromaticContact CE2-CE2 3.78Å; F278-F285 HydrophobicContact CE2-CE2 3.78Å; F278-F285 AromaticContact CE2-CZ 3.55Å; F278-F285 HydrophobicContact CE2-CZ 3.55Å; F278-F285 HydrophobicContact CG-CD1 4.33Å; F278-F285 AromaticContact CG-CE1 3.81Å; F278-F285 HydrophobicContact CG-CE1 3.81Å; F278-F285 HydrophobicContact CG-CZ 4.13Å; F278-F285 HydrophobicContact CZ-CZ 4.42Å
286	R	97.1	Very high	96.2	Very high	168 Å²	168	93.9 Å²	93.9	63%	0.634	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	123.2	176	-176.2	179.6	179.9	-175.3	0.3	109.6	L277 I288	L277-R286 HydrophobicContact CB-CB 4.42Å; L277-R286 PolarHBondContact N-O 3.25Å; L277-R286 PolarHBondContact O-N 2.91Å; R286-I288 HydrophobicContact CG-CG1 4.22Å
287	C	97.5	Very high	96.1	Very high	76 Å²	76	93.6 Å²	93.6	51%	0.514	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.6	174.2	-165.9	0	0	0	0	109.8	L276	L276-C287 HydrophobicContact CD1-CB 4.46Å
288	I	97	Very high	96	Very high	59 Å²	59	92.7 Å²	92.7	30%	0.303	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.1	179.3	-56.3	179.5	0	0	0	108.5	S274 L275 L277 R286 L290	S274-I288 CarbonylContact C-O 3.52Å; S274-I288 WeakPolarHBondContact CA-O 3.35Å; L275-I288 PolarHBondContact N-O 3.33Å; L275-I288 PolarHBondContact O-N 2.8Å; L277-I288 HydrophobicContact CD1-CD1 3.53Å; L277-I288 HydrophobicContact CD1-CG1 4.41Å; L277-I288 HydrophobicContact CG-CD1 4.33Å; R286-I288 HydrophobicContact CG-CG1 4.22Å; I288-L290 PolarHBondContact O-N 3.14Å
289	R	97	Very high	95.9	Very high	226 Å²	226	92.4 Å²	92.4	85%	0.853	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.9	173.8	-174.1	171.6	178.7	158	-0.1	110.1
290	L	94.7	Very high	95.9	Very high	27 Å²	27	90.9 Å²	90.9	14%	0.141	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-86.4	160.2	176.8	-67.1	176.6	0	0	0	111.3	T213 I226 G273 L275 I288	T213-L290 HydrophobicContact CG2-CD1 3.79Å; I226-L290 HydrophobicContact CD1-CB 3.95Å; I226-L290 HydrophobicContact CD1-CD1 4.36Å; I226-L290 HydrophobicContact CD1-CD2 4.31Å; I226-L290 HydrophobicContact CD1-CG 4.45Å; I226-L290 HydrophobicContact CG1-CD1 4.3Å; I226-L290 HydrophobicContact CG2-CD2 4.18Å; G273-L290 PolarHBondContact O-N 2.8Å; L275-L290 HydrophobicContact CB-CD1 4.16Å; L275-L290 HydrophobicContact CB-CD2 3.87Å; L275-L290 HydrophobicContact CB-CG 4.02Å; I288-L290 PolarHBondContact O-N 3.14Å
291	R	91.3	Very high	95.8	Very high	168 Å²	168	89.7 Å²	89.7	63%	0.634	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-61.5	144.5	167.9	-68.9	-175.2	-78.2	-142.8	-1.9	109.4	P221 I226	P221-R291 WeakPolarHBondContact CG-O 3.41Å; I226-R291 HydrophobicContact CD1-CB 4.36Å
292	S	93.9	Very high	95.8	Very high	95 Å²	95	90.4 Å²	90.4	66%	0.664	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-65.8	171.5	173.7	54.1	0	0	0	0	111.5	R294	S292-R294 PolarHBondContact O-N 3.38Å
293	R	95.8	Very high	95.7	Very high	110 Å²	110	92.3 Å²	92.3	42%	0.415	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-48.3	131.3	171.1	178.1	179.9	171.1	-159.8	-2.4	110.5	C300	R293-C300 PolarHBondContact NE-O 3.3Å; R293-C300 PolarHBondContact NH2-O 3.43Å
294	R	95.8	Very high	95.7	Very high	81 Å²	81	92.7 Å²	92.7	31%	0.306	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-88.1	127.7	176.6	-81.8	-178.8	61.8	-178.6	3	110.4	C225 S292 D296 C297	C225-R294 HydrophobicContact CB-CB 4.44Å; C225-R294 HydrophobicContact CB-CG 4.41Å; C225-R294 WeakPolarHBondContact O-CD 3.34Å; C225-R294 PolarHBondContact SG-N 3.01Å; S292-R294 PolarHBondContact O-N 3.38Å; R294-D296 WeakPolarHBondContact CB-OD1 3.16Å; R294-D296 IonicContact CZ-OD1 3.43Å; R294-D296 IonicContact CZ-OD2 3.68Å; R294-D296 IonicContact NE-OD1 2.85Å; R294-D296 PolarHBondContact NE-OD1 3.47Å; R294-D296 IonicContact NE-OD2 3.82Å; R294-D296 VanDerWaalsContact NH2-CG 3.29Å; R294-D296 IonicContact NH2-OD1 3.22Å; R294-D296 PolarHBondContact NH2-OD1 2.92Å; R294-D296 IonicContact NH2-OD2 2.73Å; R294-D296 PolarHBondContact NH2-OD2 3.47Å; R294-D296 PolarHBondContact O-N 2.94Å; R294-C297 HydrophobicContact CB-CB 3.99Å; R294-C297 VanDerWaalsContact O-CB 3.22Å; R294-C297 WeakPolarHBondContact O-CB 3.43Å; R294-C297 PolarHBondContact O-N 3.46Å
295	L	96	Very high	95.6	Very high	110 Å²	110	92.7 Å²	92.7	58%	0.576	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-27.2	177.9	-56.2	-179	0	0	0	112.4	G301 E302	L295-G301 CarbonylContact O-C 3.47Å; L295-G301 WeakPolarHBondContact O-CA 3.28Å; L295-E302 HydrophobicContact CB-CG 4.46Å; L295-E302 HydrophobicContact CD2-CG 4.39Å; L295-E302 PolarHBondContact O-N 3.46Å
296	D	96.2	Very high	95.4	Very high	109 Å²	109	87.6 Å²	87.6	58%	0.583	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	13.7	177.1	70.3	-27.3	0	0	0	113.1	R294 A298	R294-D296 WeakPolarHBondContact CB-OD1 3.16Å; R294-D296 IonicContact CZ-OD1 3.43Å; R294-D296 IonicContact CZ-OD2 3.68Å; R294-D296 IonicContact NE-OD1 2.85Å; R294-D296 PolarHBondContact NE-OD1 3.47Å; R294-D296 IonicContact NE-OD2 3.82Å; R294-D296 VanDerWaalsContact NH2-CG 3.29Å; R294-D296 IonicContact NH2-OD1 3.22Å; R294-D296 PolarHBondContact NH2-OD1 2.92Å; R294-D296 IonicContact NH2-OD2 2.73Å; R294-D296 PolarHBondContact NH2-OD2 3.47Å; R294-D296 PolarHBondContact O-N 2.94Å; D296-A298 PolarHBondContact O-N 2.99Å
297	C	97.1	Very high	95.2	Very high	4 Å²	4	84.7 Å²	84.7	3%	0.027	42%	0.418	C	S	.	.			trans	-64.9	132.6	179.3	-175.6	0	0	0	0	111.2	R294 V299 G301	R294-C297 HydrophobicContact CB-CB 3.99Å; R294-C297 VanDerWaalsContact O-CB 3.22Å; R294-C297 WeakPolarHBondContact O-CB 3.43Å; R294-C297 PolarHBondContact O-N 3.46Å; C297-V299 PolarHBondContact O-N 3.09Å; C297-G301 VanDerWaalsContact O-CA 3.28Å; C297-G301 WeakPolarHBondContact O-CA 3.14Å; C297-G301 PolarHBondContact O-N 3.29Å
298	A	95.9	Very high	95	Very high	33 Å²	33	86 Å²	86	27%	0.273	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26	-178.2	0	0	0	0	0	114.5	D296 P304 T305 V306	D296-A298 PolarHBondContact O-N 2.99Å; A298-P304 CarbonylContact O-C 3.5Å; A298-P304 WeakPolarHBondContact O-CA 3.35Å; A298-T305 PolarHBondContact O-N 2.9Å; A298-T305 PolarHBondContact O-OG1 3.21Å; A298-V306 HydrophobicContact CB-CG2 4.11Å; A298-V306 PolarHBondContact O-N 3.37Å
299	V	96.4	Very high	94.8	Very high	7 Å²	7	84 Å²	84	4%	0.042	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-37.9	-176.5	71	0	0	0	0	114	D191 V194 R224 C297 V306	D191-V299 HydrophobicContact CB-CG2 4.18Å; V194-V299 HydrophobicContact CB-CG1 4.42Å; V194-V299 HydrophobicContact CB-CG2 3.97Å; V194-V299 HydrophobicContact CG1-CB 4.49Å; V194-V299 HydrophobicContact CG1-CG1 4.29Å; V194-V299 HydrophobicContact CG1-CG2 3.82Å; V194-V299 HydrophobicContact CG2-CG1 4.19Å; R224-V299 HydrophobicContact CB-CG1 4.34Å; R224-V299 HydrophobicContact CG-CG1 4.44Å; C297-V299 PolarHBondContact O-N 3.09Å; V299-V306 HydrophobicContact CB-CB 4.16Å; V299-V306 HydrophobicContact CG2-CB 4.21Å; V299-V306 HydrophobicContact CG2-CG1 4.18Å
300	C	96.5	Very high	94.4	Very high	8 Å²	8	76.9 Å²	76.9	5%	0.054	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	12	-178.8	73.8	0	0	0	0	113.6	V194 C222 C225 R293	V194-C300 HydrophobicContact CG1-CB 3.74Å; V194-C300 HydrophobicContact CG2-CB 4.42Å; C222-C300 PolarHBondContact SG-SG 2.88Å; C225-C300 PolarHBondContact SG-SG 3.49Å; R293-C300 PolarHBondContact NE-O 3.3Å; R293-C300 PolarHBondContact NH2-O 3.43Å
301	G	95.3	Very high	94	Very high	8 Å²	8	80.3 Å²	80.3	8%	0.082	41%	0.407	C	S	.	.	S	Bend	trans	-72.8	-177	177.2	0	0	0	0	0	113.1	L295 C297 R303	L295-G301 CarbonylContact O-C 3.47Å; L295-G301 WeakPolarHBondContact O-CA 3.28Å; C297-G301 VanDerWaalsContact O-CA 3.28Å; C297-G301 WeakPolarHBondContact O-CA 3.14Å; C297-G301 PolarHBondContact O-N 3.29Å; G301-R303 VanDerWaalsContact C-N 3.29Å
302	E	94.7	Very high	93.8	Very high	144 Å²	144	72.6 Å²	72.6	67%	0.673	38%	0.378	S	S	*	.	S	Bend	trans	-72.1	-25.9	174.8	-66.3	-177.5	167.8	0	0	112.4	L295	L295-E302 HydrophobicContact CB-CG 4.46Å; L295-E302 HydrophobicContact CD2-CG 4.39Å; L295-E302 PolarHBondContact O-N 3.46Å
303	R	94.3	Very high	93.3	Very high	224 Å²	224	72.3 Å²	72.3	85%	0.845	37%	0.366	S	S	*	.	S	Bend	trans	-131.2	75.7	178.1	-65.2	-178.5	-67.3	-172.4	-1	109.3	G301	G301-R303 VanDerWaalsContact C-N 3.29Å
304	P	94.2	Very high	92.5	Very high	57 Å²	57	70.5 Å²	70.5	37%	0.37	38%	0.375	S	S	.	.			trans	-66.3	137	-176.8	28.1	-34.1	0	0	0	110.9	A298	A298-P304 CarbonylContact O-C 3.5Å; A298-P304 WeakPolarHBondContact O-CA 3.35Å
305	T	93.9	Very high	91.8	Very high	116 Å²	116	70.3 Å²	70.3	71%	0.712	38%	0.376	S	S	*	.	S	Bend	trans	-94.9	-21.8	172.6	54	0	0	0	0	112.2	A298	A298-T305 PolarHBondContact O-N 2.9Å; A298-T305 PolarHBondContact O-OG1 3.21Å
306	V	92.9	Very high	90.9	Very high	9 Å²	9	65.5 Å²	65.5	6%	0.055	35%	0.351	C	S	.	.			trans	-94.3	99.4	172.2	-178.7	0	0	0	0	107.7	A298 V299 D308 L310	A298-V306 HydrophobicContact CB-CG2 4.11Å; A298-V306 PolarHBondContact O-N 3.37Å; V299-V306 HydrophobicContact CB-CB 4.16Å; V299-V306 HydrophobicContact CG2-CB 4.21Å; V299-V306 HydrophobicContact CG2-CG1 4.18Å; V306-D308 WeakPolarHBondContact CG1-O 3.36Å; V306-L310 HydrophobicContact CG2-CD1 4.25Å
307	T	92.6	Very high	89.8	Confident	108 Å²	108	62.1 Å²	62.1	66%	0.663	34%	0.343	S	S	*	.			trans	-108	-10	176.7	56.2	0	0	0	0	113.2
308	D	93.4	Very high	88.7	Confident	103 Å²	103	63.4 Å²	63.4	55%	0.551	35%	0.352	S	S	*	.	S	Bend	trans	-142.5	165.1	174.6	-158.9	1.9	0	0	0	109.6	V306	V306-D308 WeakPolarHBondContact CG1-O 3.36Å
309	L	92.4	Very high	87.6	Confident	18 Å²	18	64.4 Å²	64.4	9%	0.094	36%	0.357	C	S	.	.			trans	-75	131.9	-179.1	-61.5	-179.4	0	0	0	110.9	P163 A166 L167 L188 D191 A192 L195 Y312	P163-L309 HydrophobicContact CB-CB 3.9Å; P163-L309 VanDerWaalsContact O-CD1 3.28Å; P163-L309 WeakPolarHBondContact O-CD1 3.47Å; A166-L309 HydrophobicContact CB-CD1 3.73Å; L167-L309 HydrophobicContact CB-CD1 3.77Å; L167-L309 HydrophobicContact CB-CG 4.5Å; L188-L309 HydrophobicContact CD1-CB 4.41Å; L188-L309 HydrophobicContact CD1-CD1 3.9Å; L188-L309 HydrophobicContact CD1-CD2 4.22Å; L188-L309 HydrophobicContact CD1-CG 4.42Å; D191-L309 HydrophobicContact CB-CD2 3.99Å; A192-L309 HydrophobicContact CB-CD1 4.2Å; A192-L309 HydrophobicContact CB-CD2 4.07Å; L195-L309 HydrophobicContact CD1-CD2 3.94Å; L195-L309 HydrophobicContact CD1-CG 4.4Å; L309-Y312 HydrophobicContact CB-CE2 4.23Å; L309-Y312 HydrophobicContact CD2-CE2 4.4Å
310	L	88.8	Confident	86.6	Confident	75 Å²	75	65.1 Å²	65.1	39%	0.393	36%	0.363	S	S	.	.			trans	-93.7	173.6	-174.5	-56.1	176.8	0	0	0	111.7	P163 V306 Y312	P163-L310 WeakPolarHBondContact CB-O 3.24Å; P163-L310 WeakPolarHBondContact CG-O 3.47Å; V306-L310 HydrophobicContact CG2-CD1 4.25Å; L310-Y312 HydrophobicContact CB-CE2 4.34Å; L310-Y312 WeakPolarHBondContact O-CD2 2.97Å; L310-Y312 WeakPolarHBondContact O-CE2 3.5Å; L310-Y312 PolarHBondContact O-N 3.28Å; L310-Y312 VanDerWaalsContact O-N 3.15Å
311	D	87.5	Confident	85.5	Confident	100 Å²	100	66.8 Å²	66.8	54%	0.535	37%	0.373	S	S	.	.			trans	-73.9	98.4	160.9	-174.9	-17.6	0	0	0	109.5	E313 A314 F315	D311-E313 PolarHBondContact OD1-N 3.41Å; D311-E313 VanDerWaalsContact OD1-N 3.11Å; D311-A314 HydrophobicContact CB-CB 4.02Å; D311-A314 VanDerWaalsContact CG-CB 3.44Å; D311-A314 PolarHBondContact OD1-N 2.96Å; D311-A314 WeakPolarHBondContact OD2-CB 3.18Å; D311-F315 VanDerWaalsContact O-CB 3.3Å; D311-F315 WeakPolarHBondContact O-CB 3.49Å; D311-F315 PolarHBondContact O-N 3.02Å
312	Y	86.3	Confident	83.8	Confident	6 Å²	6	68 Å²	68	2%	0.024	38%	0.378	C	S	.	.	H	α-helix	trans	-76	-23.6	-177.2	-67.6	-84.6	0	0	0	113.4	P163 L188 D191 L309 L310 F315 C316	P163-Y312 HydrophobicContact CG-CD2 4.15Å; L188-Y312 HydrophobicContact CB-CD1 4.49Å; L188-Y312 HydrophobicContact CB-CD2 3.67Å; L188-Y312 HydrophobicContact CB-CE2 3.91Å; L188-Y312 HydrophobicContact CB-CG 4.01Å; L188-Y312 HydrophobicContact CD1-CD2 3.69Å; L188-Y312 HydrophobicContact CD1-CE2 3.43Å; L188-Y312 VanDerWaalsContact CD1-CE2 3.43Å; L188-Y312 HydrophobicContact CG-CD2 4.21Å; L188-Y312 HydrophobicContact CG-CE2 4.27Å; D191-Y312 WeakPolarHBondContact CB-OH 3.3Å; D191-Y312 VanDerWaalsContact OD2-CE1 3.29Å; D191-Y312 WeakPolarHBondContact OD2-CE1 3.03Å; D191-Y312 PolarHBondContact OD2-OH 2.86Å; L309-Y312 HydrophobicContact CB-CE2 4.23Å; L309-Y312 HydrophobicContact CD2-CE2 4.4Å; L310-Y312 HydrophobicContact CB-CE2 4.34Å; L310-Y312 WeakPolarHBondContact O-CD2 2.97Å; L310-Y312 WeakPolarHBondContact O-CE2 3.5Å; L310-Y312 PolarHBondContact O-N 3.28Å; L310-Y312 VanDerWaalsContact O-N 3.15Å; Y312-F315 HydrophobicContact CD1-CD1 4.49Å; Y312-C316 VanDerWaalsContact O-CB 3.25Å; Y312-C316 WeakPolarHBondContact O-CB 3.16Å; Y312-C316 PolarHBondContact O-N 3.27Å; Y312-C316 PolarHBondContact O-SG 2.91Å; Y312-C316 VanDerWaalsContact O-SG 3.33Å
313	E	82.7	Confident	82.4	Confident	89 Å²	89	68.3 Å²	68.3	42%	0.416	38%	0.377	S	S	.	.	H	α-helix	trans	-71.8	-45.1	175.2	-63.4	-168.6	137.7	0	0	109.9	D311 C316 G317 S318 S319 A320	D311-E313 PolarHBondContact OD1-N 3.41Å; D311-E313 VanDerWaalsContact OD1-N 3.11Å; E313-C316 PolarHBondContact O-N 3.37Å; E313-G317 WeakPolarHBondContact O-CA 3.26Å; E313-G317 PolarHBondContact O-N 3.22Å; E313-S318 VanDerWaalsContact CA-O 3.3Å; E313-S318 WeakPolarHBondContact CA-O 3.41Å; E313-S318 PolarHBondContact O-N 2.89Å; E313-S319 PolarHBondContact OE1-OG 2.91Å; E313-A320 HydrophobicContact CG-CB 4.02Å; E313-A320 WeakPolarHBondContact OE1-CB 3.46Å; E313-A320 PolarHBondContact OE1-N 3.41Å
314	A	79.9	Confident	80.9	Confident	72 Å²	72	59.8 Å²	59.8	60%	0.595	35%	0.351	S	S	*	.	H	α-helix	trans	-62.5	-42.1	172.2	0	0	0	0	0	111.9	D311	D311-A314 HydrophobicContact CB-CB 4.02Å; D311-A314 VanDerWaalsContact CG-CB 3.44Å; D311-A314 PolarHBondContact OD1-N 2.96Å; D311-A314 WeakPolarHBondContact OD2-CB 3.18Å
315	F	80.6	Confident	79.5	Confident	76 Å²	76	64.6 Å²	64.6	33%	0.333	36%	0.362	S	S	.	.	H	α-helix	trans	-64.4	-39.7	178.7	176	-111.6	0	0	0	113.2	Y187 R224 P230 D311 Y312	Y187-F315 HydrophobicContact CD1-CE1 4.12Å; Y187-F315 HydrophobicContact CE1-CE1 4.23Å; Y187-F315 HydrophobicContact CG-CE1 4.36Å; R224-F315 VanDerWaalsContact NH1-CZ 3.3Å; P230-F315 HydrophobicContact CB-CE1 4.47Å; P230-F315 VanDerWaalsContact CD-CE1 3.47Å; P230-F315 HydrophobicContact CG-CD1 4.08Å; P230-F315 HydrophobicContact CG-CE1 3.73Å; P230-F315 HydrophobicContact CG-CZ 4.01Å; D311-F315 VanDerWaalsContact O-CB 3.3Å; D311-F315 WeakPolarHBondContact O-CB 3.49Å; D311-F315 PolarHBondContact O-N 3.02Å; Y312-F315 HydrophobicContact CD1-CD1 4.49Å
316	C	76.7	Confident	78.2	Confident	9 Å²	9	62.9 Å²	62.9	6%	0.061	36%	0.355	C	S	.	.	H	α-helix	trans	-88.9	-17.4	-179.4	-67.4	0	0	0	0	113.6	P184 P230 Y312 E313 S318	P184-C316 HydrophobicContact CG-CB 3.87Å; P230-C316 HydrophobicContact CB-CB 4.37Å; Y312-C316 VanDerWaalsContact O-CB 3.25Å; Y312-C316 WeakPolarHBondContact O-CB 3.16Å; Y312-C316 PolarHBondContact O-N 3.27Å; Y312-C316 PolarHBondContact O-SG 2.91Å; Y312-C316 VanDerWaalsContact O-SG 3.33Å; E313-C316 PolarHBondContact O-N 3.37Å; C316-S318 PolarHBondContact O-N 2.91Å
317	G	73.5	Confident	77.5	Confident	39 Å²	39	64.4 Å²	64.4	40%	0.402	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	21.8	-171.9	0	0	0	0	0	113.4	A233 E313 R325	A233-G317 WeakPolarHBondContact CB-O 3.49Å; E313-G317 WeakPolarHBondContact O-CA 3.26Å; E313-G317 PolarHBondContact O-N 3.22Å; G317-R325 PolarHBondContact O-NH1 3.08Å
318	S	73.6	Confident	77	Confident	30 Å²	30	67.4 Å²	67.4	21%	0.21	37%	0.369	C	S	.	.	S	Bend	trans	-142.3	154.6	-177.3	60.1	0	0	0	0	111.6	P184 E313 C316	P184-S318 WeakPolarHBondContact CG-O 3.25Å; P184-S318 WeakPolarHBondContact CG-OG 3.32Å; E313-S318 VanDerWaalsContact CA-O 3.3Å; E313-S318 WeakPolarHBondContact CA-O 3.41Å; E313-S318 PolarHBondContact O-N 2.89Å; C316-S318 PolarHBondContact O-N 2.91Å
319	S	74.4	Confident	76.6	Confident	55 Å²	55	66.5 Å²	66.5	39%	0.385	36%	0.363	S	S	.	.			trans	-71.4	145.8	179.4	-176.8	0	0	0	0	111.7	E313 T321	E313-S319 PolarHBondContact OE1-OG 2.91Å; S319-T321 PolarHBondContact O-N 2.66Å; S319-T321 PolarHBondContact OG-N 3Å; S319-T321 VanDerWaalsContact OG-N 3.08Å; S319-T321 PolarHBondContact OG-OG1 3.15Å
320	A	74.9	Confident	76.5	Confident	22 Å²	22	66.4 Å²	66.4	18%	0.182	36%	0.363	C	S	.	.	S	Bend	trans	-77.1	3.4	169.3	0	0	0	0	0	112.9	N182 P184 E313	N182-A320 PolarHBondContact ND2-O 2.83Å; N182-A320 WeakPolarHBondContact OD1-CA 3.39Å; N182-A320 PolarHBondContact OD1-O 2.92Å; P184-A320 HydrophobicContact CB-CB 4.07Å; E313-A320 HydrophobicContact CG-CB 4.02Å; E313-A320 WeakPolarHBondContact OE1-CB 3.46Å; E313-A320 PolarHBondContact OE1-N 3.41Å
321	T	72.6	Confident	76.6	Confident	43 Å²	43	65 Å²	65	26%	0.264	36%	0.36	S	S	.	.	S	Bend	trans	-104.3	149.6	174.5	69.4	0	0	0	0	112.1	Y114 S319 K323	Y114-T321 HydrophobicContact CE2-CG2 4.21Å; Y114-T321 VanDerWaalsContact OH-CA 3.27Å; Y114-T321 WeakPolarHBondContact OH-CA 3.38Å; S319-T321 PolarHBondContact O-N 2.66Å; S319-T321 PolarHBondContact OG-N 3Å; S319-T321 VanDerWaalsContact OG-N 3.08Å; S319-T321 PolarHBondContact OG-OG1 3.15Å; T321-K323 PolarHBondContact O-N 3.06Å
322	D	60.3	Low	76.7	Confident	32 Å²	32	65.1 Å²	65.1	17%	0.171	37%	0.366	C	S	.	.	S	Bend	trans	-68.6	-10	172.4	64.8	-28.5	0	0	0	114.7	Y114 N238 C324	Y114-D322 PolarHBondContact OH-N 3.48Å; Y114-D322 VanDerWaalsContact OH-N 3.09Å; Y114-D322 PolarHBondContact OH-OD1 3.38Å; N238-D322 PolarHBondContact ND2-O 3.44Å; D322-C324 PolarHBondContact O-N 3.42Å
323	K	65.2	Low	76.9	Confident	152 Å²	152	70.9 Å²	70.9	66%	0.661	39%	0.393	S	S	*	.	S	Bend	trans	-58.9	124.3	175.7	-63.2	-177.3	-179.2	176	0	111.6	T321 R325	T321-K323 PolarHBondContact O-N 3.06Å; K323-R325 PolarHBondContact O-N 3.48Å
324	C	61.9	Low	77.4	Confident	44 Å²	44	68.5 Å²	68.5	30%	0.297	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-55.1	131.4	178	-66.2	0	0	0	0	111.7	D241 D322 L414	D241-C324 PolarHBondContact OD1-SG 3.48Å; D322-C324 PolarHBondContact O-N 3.42Å; C324-L414 HydrophobicContact CB-CD1 3.52Å; C324-L414 WeakPolarHBondContact SG-CD1 3.13Å
325	R	64.4	Low	78.1	Confident	158 Å²	158	67.1 Å²	67.1	60%	0.596	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-68.7	133.2	177.1	-172.7	177.5	-178.6	166.8	3.5	110	G317 K323 L327 N416	G317-R325 PolarHBondContact O-NH1 3.08Å; K323-R325 PolarHBondContact O-N 3.48Å; R325-L327 PolarHBondContact O-N 3.44Å; R325-N416 PolarHBondContact O-ND2 3.46Å; R325-N416 PolarHBondContact O-OD1 3.1Å
326	S	68.1	Low	78.9	Confident	80 Å²	80	64.2 Å²	64.2	56%	0.559	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-78	119.1	165.5	-171.6	0	0	0	0	109.1
327	L	76.7	Confident	79.9	Confident	41 Å²	41	65.5 Å²	65.5	22%	0.215	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-74.1	148.7	170.2	-65.2	178.7	0	0	0	110	R325 L329 N416 Q419	R325-L327 PolarHBondContact O-N 3.44Å; L327-L329 HydrophobicContact CB-CG 4.44Å; L327-L329 HydrophobicContact CD1-CD1 4.39Å; L327-N416 HydrophobicContact CD1-CB 3.9Å; L327-N416 HydrophobicContact CG-CB 4.18Å; L327-N416 PolarHBondContact N-OD1 3.32Å; L327-Q419 PolarHBondContact O-NE2 2.87Å; L327-Q419 PolarHBondContact O-OE1 2.83Å
328	Q	82.4	Confident	81	Confident	171 Å²	171	63.8 Å²	63.8	80%	0.799	34%	0.34	S	S	*	.			trans	-130.4	75.8	172.4	-67.1	-172.8	-4.9	0	0	109
329	L	86.6	Confident	82.1	Confident	84 Å²	84	65.1 Å²	65.1	44%	0.44	35%	0.347	S	S	.	.			trans	-97.2	-19.7	178.6	-60	175.2	0	0	0	112.8	L327 Q419 K420 K423	L327-L329 HydrophobicContact CB-CG 4.44Å; L327-L329 HydrophobicContact CD1-CD1 4.39Å; L329-Q419 HydrophobicContact CB-CB 4.24Å; L329-Q419 HydrophobicContact CD1-CB 4.3Å; L329-K420 HydrophobicContact CD1-CG 3.81Å; L329-K423 VanDerWaalsContact O-CE 3.25Å; L329-K423 WeakPolarHBondContact O-CE 3.49Å
330	L	89.7	Confident	83.1	Confident	16 Å²	16	65.2 Å²	65.2	8%	0.084	34%	0.343	C	S	.	.	S	Bend	trans	-111.4	147.2	-174.2	-64.2	-172.7	0	0	0	111.4	E334 R335 Q419 V422 K423 D441	L330-E334 VanDerWaalsContact CA-OE2 3.3Å; L330-E334 WeakPolarHBondContact CA-OE2 3.42Å; L330-E334 HydrophobicContact CB-CB 3.92Å; L330-E334 HydrophobicContact CD1-CB 4.16Å; L330-E334 HydrophobicContact CD2-CB 4.31Å; L330-E334 HydrophobicContact CG-CB 4.36Å; L330-R335 HydrophobicContact CB-CG 3.88Å; L330-R335 HydrophobicContact CD1-CG 4.31Å; L330-Q419 HydrophobicContact CD1-CB 4.06Å; L330-Q419 HydrophobicContact CD1-CG 3.86Å; L330-Q419 HydrophobicContact CG-CB 3.96Å; L330-Q419 HydrophobicContact CG-CG 3.97Å; L330-V422 HydrophobicContact CD1-CB 3.79Å; L330-V422 HydrophobicContact CD1-CG1 3.82Å; L330-V422 HydrophobicContact CD1-CG2 3.89Å; L330-V422 HydrophobicContact CD2-CB 4.11Å; L330-V422 HydrophobicContact CD2-CG1 3.74Å; L330-V422 HydrophobicContact CG-CG1 4.47Å; L330-K423 HydrophobicContact CD2-CD 3.72Å; L330-K423 VanDerWaalsContact CD2-CE 3.48Å; L330-K423 HydrophobicContact CD2-CG 4.07Å; L330-D441 HydrophobicContact CD1-CB 3.92Å
331	S	90.9	Very high	84.2	Confident	47 Å²	47	64.1 Å²	64.1	33%	0.329	33%	0.334	S	S	.	.			trans	-72	158.4	169.7	82.1	0	0	0	0	110.8	E333 E334 R335	S331-E333 VanDerWaalsContact CB-OE2 3.23Å; S331-E333 WeakPolarHBondContact CB-OE2 3.34Å; S331-E333 PolarHBondContact O-N 3Å; S331-E333 PolarHBondContact OG-OE2 2.72Å; S331-E334 PolarHBondContact N-OE2 3.15Å; S331-E334 WeakPolarHBondContact O-CB 3.27Å; S331-E334 PolarHBondContact O-N 2.79Å; S331-R335 WeakPolarHBondContact O-CG 3.39Å
332	P	90.3	Very high	85.4	Confident	102 Å²	102	64.8 Å²	64.8	66%	0.662	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-53.8	-30.1	-178.5	-27.7	36.5	0	0	0	115	E334 R335	P332-E334 VanDerWaalsContact C-N 3.32Å; P332-R335 PolarHBondContact O-N 2.85Å
333	E	89.9	Confident	87.1	Confident	127 Å²	127	70.8 Å²	70.8	59%	0.593	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-75.5	-22.3	-178.7	-54.4	71.2	-149.8	0	0	113	S331 R440	S331-E333 VanDerWaalsContact CB-OE2 3.23Å; S331-E333 WeakPolarHBondContact CB-OE2 3.34Å; S331-E333 PolarHBondContact O-N 3Å; S331-E333 PolarHBondContact OG-OE2 2.72Å; E333-R440 PolarHBondContact O-NE 2.69Å
334	E	92.3	Very high	88.5	Confident	38 Å²	38	64.9 Å²	64.9	18%	0.178	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-85.9	6.8	175	-62.5	177.6	119.4	0	0	111.7	L330 S331 P332 K423 Q426 R440 D441	L330-E334 VanDerWaalsContact CA-OE2 3.3Å; L330-E334 WeakPolarHBondContact CA-OE2 3.42Å; L330-E334 HydrophobicContact CB-CB 3.92Å; L330-E334 HydrophobicContact CD1-CB 4.16Å; L330-E334 HydrophobicContact CD2-CB 4.31Å; L330-E334 HydrophobicContact CG-CB 4.36Å; S331-E334 PolarHBondContact N-OE2 3.15Å; S331-E334 WeakPolarHBondContact O-CB 3.27Å; S331-E334 PolarHBondContact O-N 2.79Å; P332-E334 VanDerWaalsContact C-N 3.32Å; E334-K423 IonicContact OE1-NZ 3.17Å; E334-K423 PolarHBondContact OE1-NZ 2.82Å; E334-K423 IonicContact OE2-NZ 3.6Å; E334-K423 PolarHBondContact OE2-NZ 2.86Å; E334-Q426 PolarHBondContact OE1-NE2 3.08Å; E334-Q426 PolarHBondContact OE1-OE1 3.29Å; E334-R440 CarbonylContact O-C 3.3Å; E334-R440 WeakPolarHBondContact O-CA 3.29Å; E334-D441 PolarHBondContact O-N 3.11Å
335	R	95.7	Very high	90	Very high	44 Å²	44	65.1 Å²	65.1	17%	0.166	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152.9	-176.8	-45.2	-167	70.4	179	2.5	111.4	L330 S331 P332 Q419 D441 V443	L330-R335 HydrophobicContact CB-CG 3.88Å; L330-R335 HydrophobicContact CD1-CG 4.31Å; S331-R335 WeakPolarHBondContact O-CG 3.39Å; P332-R335 PolarHBondContact O-N 2.85Å; R335-Q419 VanDerWaalsContact NH2-NE2 3.13Å; R335-D441 CarbonylContact C-O 3.47Å; R335-D441 VanDerWaalsContact CB-OD1 3.24Å; R335-D441 WeakPolarHBondContact CB-OD1 3.45Å; R335-D441 WeakPolarHBondContact CD-OD1 3.35Å; R335-D441 WeakPolarHBondContact CG-OD1 3.23Å; R335-D441 IonicContact CZ-OD1 3.91Å; R335-D441 IonicContact CZ-OD2 2.66Å; R335-D441 IonicContact NE-OD1 3.31Å; R335-D441 PolarHBondContact NE-OD1 2.94Å; R335-D441 IonicContact NE-OD2 2.67Å; R335-D441 IonicContact NH2-OD1 3Å; R335-D441 IonicContact NH2-OD2 2.66Å; R335-D441 PolarHBondContact NH2-OD2 2.97Å; R335-V443 HydrophobicContact CB-CG2 3.74Å
336	I	96.8	Very high	91.4	Very high	15 Å²	15	62.5 Å²	62.5	8%	0.077	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.2	174.3	-169.6	167.3	0	0	0	110.5	D340 V344 Y409 R440 D441 V442 V443	I336-D340 HydrophobicContact CD1-CB 3.88Å; I336-D340 HydrophobicContact CG1-CB 3.56Å; I336-V344 HydrophobicContact CD1-CG2 4.25Å; I336-Y409 HydrophobicContact CB-CD1 4.45Å; I336-Y409 HydrophobicContact CB-CE1 4.31Å; I336-Y409 HydrophobicContact CD1-CD1 4.27Å; I336-Y409 HydrophobicContact CD1-CE1 3.56Å; I336-Y409 HydrophobicContact CG2-CD1 3.58Å; I336-Y409 HydrophobicContact CG2-CE1 3.91Å; I336-R440 HydrophobicContact CG2-CB 4.46Å; I336-D441 WeakPolarHBondContact CG2-O 3.24Å; I336-D441 PolarHBondContact N-O 2.74Å; I336-V442 HydrophobicContact CG2-CG2 4.09Å; I336-V442 WeakPolarHBondContact O-CA 3.35Å; I336-V443 WeakPolarHBondContact O-CG2 3.5Å; I336-V443 PolarHBondContact O-N 3.07Å
337	S	97.1	Very high	92.7	Very high	35 Å²	35	62.7 Å²	62.7	25%	0.245	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	152.3	174	78.2	0	0	0	0	111.1	T339 D340 Y341	S337-T339 PolarHBondContact O-N 3.39Å; S337-T339 PolarHBondContact OG-OG1 3.39Å; S337-D340 WeakPolarHBondContact CB-OD2 3.42Å; S337-D340 PolarHBondContact O-N 3.33Å; S337-D340 VanDerWaalsContact O-N 3.12Å; S337-D340 WeakPolarHBondContact OG-CB 3.15Å; S337-D340 PolarHBondContact OG-N 3.28Å; S337-D340 PolarHBondContact OG-OD2 3.08Å; S337-Y341 WeakPolarHBondContact O-CB 3.46Å; S337-Y341 PolarHBondContact O-N 2.9Å
338	V	96.6	Very high	93.1	Very high	3 Å²	3	63.9 Å²	63.9	2%	0.018	35%	0.35	C	S	.	.	H	α-helix	trans	-56.1	-32.6	173.8	-70.4	0	0	0	0	112.9	K342 V442 A448 W449 K452 I453	V338-K342 WeakPolarHBondContact O-CB 3.31Å; V338-K342 PolarHBondContact O-N 2.89Å; V338-V442 HydrophobicContact CB-CG1 4.44Å; V338-V442 HydrophobicContact CG1-CG1 3.49Å; V338-V442 VanDerWaalsContact CG1-CG1 3.49Å; V338-A448 HydrophobicContact CG1-CB 3.73Å; V338-A448 HydrophobicContact CG2-CB 4.11Å; V338-W449 HydrophobicContact CG1-CB 4.45Å; V338-K452 HydrophobicContact CG2-CB 4.08Å; V338-K452 HydrophobicContact CG2-CD 3.81Å; V338-K452 HydrophobicContact CG2-CG 4.46Å; V338-I453 HydrophobicContact CB-CG1 4.2Å; V338-I453 HydrophobicContact CG2-CG1 4.35Å
339	T	97.1	Very high	93.4	Very high	59 Å²	59	58 Å²	58	36%	0.362	33%	0.331	S	S	.	.	H	α-helix	trans	-71.5	-40.7	176.9	38.9	0	0	0	0	112.7	S337 K342 R343 I453	S337-T339 PolarHBondContact O-N 3.39Å; S337-T339 PolarHBondContact OG-OG1 3.39Å; T339-K342 PolarHBondContact O-N 3.22Å; T339-R343 PolarHBondContact O-N 3.19Å; T339-I453 HydrophobicContact CG2-CD1 3.91Å
340	D	96.6	Very high	93.5	Very high	56 Å²	56	56.1 Å²	56.1	30%	0.299	32%	0.324	S	S	.	.	H	α-helix	trans	-69.9	-40.7	175	-62.9	-47.3	0	0	0	110.3	I336 S337 K342 R343 V344	I336-D340 HydrophobicContact CD1-CB 3.88Å; I336-D340 HydrophobicContact CG1-CB 3.56Å; S337-D340 WeakPolarHBondContact CB-OD2 3.42Å; S337-D340 PolarHBondContact O-N 3.33Å; S337-D340 VanDerWaalsContact O-N 3.12Å; S337-D340 WeakPolarHBondContact OG-CB 3.15Å; S337-D340 PolarHBondContact OG-N 3.28Å; S337-D340 PolarHBondContact OG-OD2 3.08Å; D340-K342 VanDerWaalsContact C-N 3.33Å; D340-K342 PolarHBondContact O-N 2.94Å; D340-R343 WeakPolarHBondContact O-CB 3.32Å; D340-R343 PolarHBondContact O-N 3.33Å; D340-R343 VanDerWaalsContact O-N 3.1Å; D340-R343 IonicContact OD1-CZ 3.8Å; D340-R343 IonicContact OD1-NH1 2.97Å; D340-R343 PolarHBondContact OD1-NH1 2.89Å; D340-R343 IonicContact OD1-NH2 2.75Å; D340-R343 PolarHBondContact OD1-NH2 2.8Å; D340-V344 PolarHBondContact O-N 3.44Å
341	Y	96.9	Very high	93.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.1	-41.5	175.1	178.3	-109	0	0	0	111.6	S337 R343 V344 L345 H351 L353 H369 Y409 V442 W449	S337-Y341 WeakPolarHBondContact O-CB 3.46Å; S337-Y341 PolarHBondContact O-N 2.9Å; Y341-R343 VanDerWaalsContact C-N 3.29Å; Y341-R343 PolarHBondContact O-N 2.69Å; Y341-V344 WeakPolarHBondContact O-CB 3.44Å; Y341-V344 PolarHBondContact O-N 3.18Å; Y341-V344 VanDerWaalsContact O-N 3.09Å; Y341-L345 PolarHBondContact O-N 2.95Å; Y341-H351 AromaticContact CE2-CD2 3.82Å; Y341-H351 AromaticContact CE2-NE2 3.54Å; Y341-H351 AromaticContact CZ-NE2 3.7Å; Y341-H351 PolarHBondContact OH-NE2 3.14Å; Y341-L353 HydrophobicContact CE1-CD1 4.14Å; Y341-L353 HydrophobicContact CE1-CD2 4.04Å; Y341-L353 HydrophobicContact CE2-CD1 4.21Å; Y341-L353 WeakPolarHBondContact OH-CB 3.46Å; Y341-L353 WeakPolarHBondContact OH-CD2 3.45Å; Y341-H369 PolarHBondContact OH-NE2 2.96Å; Y341-Y409 HydrophobicContact CD2-CD1 4.1Å; Y341-Y409 AromaticContact CD2-CD2 3.9Å; Y341-Y409 HydrophobicContact CD2-CD2 3.9Å; Y341-Y409 HydrophobicContact CD2-CE2 4.36Å; Y341-Y409 AromaticContact CD2-CG 3.73Å; Y341-Y409 HydrophobicContact CD2-CG 3.73Å; Y341-Y409 AromaticContact CE2-CD2 3.65Å; Y341-Y409 HydrophobicContact CE2-CD2 3.65Å; Y341-Y409 HydrophobicContact CE2-CE2 4.32Å; Y341-Y409 AromaticContact CE2-CG 3.78Å; Y341-Y409 HydrophobicContact CE2-CG 3.78Å; Y341-V442 HydrophobicContact CD1-CG2 4.45Å; Y341-V442 HydrophobicContact CG-CG2 4.22Å; Y341-W449 HydrophobicContact CD1-CE3 4.42Å; Y341-W449 AromaticContact CD1-CZ3 3.86Å; Y341-W449 HydrophobicContact CD1-CZ3 3.86Å; Y341-W449 HydrophobicContact CE1-CZ3 4.09Å
342	K	96.9	Very high	93.8	Very high	57 Å²	57	55.9 Å²	55.9	25%	0.248	32%	0.318	C	S	.	.	H	α-helix	trans	-58.9	-38.7	172.9	-177.2	59.5	162.7	75.8	0	112.3	V338 T339 D340 V344 L345 D346 W449 I453	V338-K342 WeakPolarHBondContact O-CB 3.31Å; V338-K342 PolarHBondContact O-N 2.89Å; T339-K342 PolarHBondContact O-N 3.22Å; D340-K342 VanDerWaalsContact C-N 3.33Å; D340-K342 PolarHBondContact O-N 2.94Å; K342-V344 VanDerWaalsContact C-N 3.34Å; K342-V344 PolarHBondContact O-N 2.82Å; K342-L345 HydrophobicContact CD-CD2 4.36Å; K342-L345 WeakPolarHBondContact O-CB 3.45Å; K342-L345 PolarHBondContact O-N 3.46Å; K342-D346 IonicContact NZ-OD1 2.59Å; K342-D346 PolarHBondContact NZ-OD1 3.15Å; K342-D346 IonicContact NZ-OD2 2.69Å; K342-D346 PolarHBondContact NZ-OD2 3.36Å; K342-D346 WeakPolarHBondContact O-CB 3.23Å; K342-D346 PolarHBondContact O-N 2.55Å; K342-W449 HydrophobicContact CB-CZ3 4.26Å; K342-W449 HydrophobicContact CD-CH2 3.67Å; K342-W449 HydrophobicContact CD-CZ2 4.44Å; K342-W449 HydrophobicContact CD-CZ3 4.16Å; K342-I453 HydrophobicContact CB-CD1 3.9Å; K342-I453 HydrophobicContact CB-CG1 4.45Å; K342-I453 HydrophobicContact CB-CG2 4.33Å; K342-I453 HydrophobicContact CD-CG2 3.71Å; K342-I453 HydrophobicContact CG-CD1 4.23Å; K342-I453 HydrophobicContact CG-CG2 3.88Å
343	R	96.8	Very high	94.1	Very high	157 Å²	157	51.1 Å²	51.1	59%	0.592	29%	0.287	S	S	*	.	H	α-helix	trans	-64.5	-37.3	174.2	-68.9	-173.1	-125.7	124.1	8.6	112.5	T339 D340 Y341 L345 D346 S347	T339-R343 PolarHBondContact O-N 3.19Å; D340-R343 WeakPolarHBondContact O-CB 3.32Å; D340-R343 PolarHBondContact O-N 3.33Å; D340-R343 VanDerWaalsContact O-N 3.1Å; D340-R343 IonicContact OD1-CZ 3.8Å; D340-R343 IonicContact OD1-NH1 2.97Å; D340-R343 PolarHBondContact OD1-NH1 2.89Å; D340-R343 IonicContact OD1-NH2 2.75Å; D340-R343 PolarHBondContact OD1-NH2 2.8Å; Y341-R343 VanDerWaalsContact C-N 3.29Å; Y341-R343 PolarHBondContact O-N 2.69Å; R343-L345 VanDerWaalsContact C-N 3.34Å; R343-D346 PolarHBondContact O-N 2.87Å; R343-S347 WeakPolarHBondContact O-CB 3.36Å; R343-S347 PolarHBondContact O-N 3.48Å; R343-S347 PolarHBondContact O-OG 2.81Å
344	V	94.2	Very high	94.4	Very high	29 Å²	29	45.1 Å²	45.1	18%	0.176	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-40.7	173.7	176.3	0	0	0	0	110.9	I336 D340 Y341 K342 S347 A349 Y409	I336-V344 HydrophobicContact CD1-CG2 4.25Å; D340-V344 PolarHBondContact O-N 3.44Å; Y341-V344 WeakPolarHBondContact O-CB 3.44Å; Y341-V344 PolarHBondContact O-N 3.18Å; Y341-V344 VanDerWaalsContact O-N 3.09Å; K342-V344 VanDerWaalsContact C-N 3.34Å; K342-V344 PolarHBondContact O-N 2.82Å; V344-S347 PolarHBondContact O-OG 3.45Å; V344-A349 HydrophobicContact CG1-CB 4.48Å; V344-Y409 HydrophobicContact CG1-CE2 3.94Å
345	L	94.1	Very high	94.7	Very high	48 Å²	48	43.4 Å²	43.4	25%	0.251	25%	0.251	S	S	.	.	H	α-helix	trans	-64	-45	176.2	-173.3	64.4	0	0	0	111.7	Y341 K342 R343 S347 G348 W449	Y341-L345 PolarHBondContact O-N 2.95Å; K342-L345 HydrophobicContact CD-CD2 4.36Å; K342-L345 WeakPolarHBondContact O-CB 3.45Å; K342-L345 PolarHBondContact O-N 3.46Å; R343-L345 VanDerWaalsContact C-N 3.34Å; L345-S347 VanDerWaalsContact C-N 3.34Å; L345-S347 PolarHBondContact O-N 2.84Å; L345-G348 PolarHBondContact O-N 3.09Å; L345-W449 HydrophobicContact CD2-CH2 3.84Å
346	D	94.8	Very high	94.8	Very high	104 Å²	104	41.4 Å²	41.4	56%	0.556	24%	0.244	S	C	*	.	H	α-helix	trans	-71.8	-26.2	-177.6	-69	-19.5	0	0	0	113.7	K342 R343 G348	K342-D346 IonicContact NZ-OD1 2.59Å; K342-D346 PolarHBondContact NZ-OD1 3.15Å; K342-D346 IonicContact NZ-OD2 2.69Å; K342-D346 PolarHBondContact NZ-OD2 3.36Å; K342-D346 WeakPolarHBondContact O-CB 3.23Å; K342-D346 PolarHBondContact O-N 2.55Å; R343-D346 PolarHBondContact O-N 2.87Å; D346-G348 PolarHBondContact O-N 3.35Å
347	S	93.6	Very high	94.8	Very high	83 Å²	83	40.8 Å²	40.8	58%	0.58	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.7	176.1	71.4	0	0	0	0	113.2	R343 V344 L345 A349	R343-S347 WeakPolarHBondContact O-CB 3.36Å; R343-S347 PolarHBondContact O-N 3.48Å; R343-S347 PolarHBondContact O-OG 2.81Å; V344-S347 PolarHBondContact O-OG 3.45Å; L345-S347 VanDerWaalsContact C-N 3.34Å; L345-S347 PolarHBondContact O-N 2.84Å; S347-A349 PolarHBondContact O-N 2.81Å; S347-A349 WeakPolarHBondContact OG-CB 3.09Å; S347-A349 PolarHBondContact OG-N 2.72Å
348	G	86.9	Confident	94.6	Very high	67 Å²	67	42 Å²	42	69%	0.691	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.5	16	-174.8	0	0	0	0	0	113.6	L345 D346 S350	L345-G348 PolarHBondContact O-N 3.09Å; D346-G348 PolarHBondContact O-N 3.35Å; G348-S350 PolarHBondContact O-N 2.95Å
349	A	87.1	Confident	94.5	Very high	48 Å²	48	46.4 Å²	46.4	40%	0.397	27%	0.268	S	S	.	.			trans	-61.4	135.8	176.4	0	0	0	0	0	110.7	V344 S347 H351	V344-A349 HydrophobicContact CG1-CB 4.48Å; S347-A349 PolarHBondContact O-N 2.81Å; S347-A349 WeakPolarHBondContact OG-CB 3.09Å; S347-A349 PolarHBondContact OG-N 2.72Å; A349-H351 PolarHBondContact O-N 2.95Å; A349-H351 PolarHBondContact O-ND1 2.94Å
350	S	88.6	Confident	94.3	Very high	44 Å²	44	48.6 Å²	48.6	31%	0.308	28%	0.281	S	S	.	.			trans	-61.6	122	176.8	-172.3	0	0	0	0	110.4	G348 G396	G348-S350 PolarHBondContact O-N 2.95Å; S350-G396 PolarHBondContact OG-O 3.27Å
351	H	92.3	Very high	94.1	Very high	38 Å²	38	47.8 Å²	47.8	18%	0.176	28%	0.275	C	S	.	.			trans	-159.5	164.3	177.5	68.4	-81	0	0	0	110.5	Y341 A349 P407 Y409	Y341-H351 AromaticContact CE2-CD2 3.82Å; Y341-H351 AromaticContact CE2-NE2 3.54Å; Y341-H351 AromaticContact CZ-NE2 3.7Å; Y341-H351 PolarHBondContact OH-NE2 3.14Å; A349-H351 PolarHBondContact O-N 2.95Å; A349-H351 PolarHBondContact O-ND1 2.94Å; H351-P407 WeakPolarHBondContact CA-O 3.22Å; H351-P407 HydrophobicContact CB-CB 4.43Å; H351-Y409 HydrophobicContact CB-CD2 4.09Å; H351-Y409 HydrophobicContact CB-CE2 3.8Å; H351-Y409 AromaticContact CD2-CD2 3.64Å; H351-Y409 AromaticContact CD2-CE2 3.97Å; H351-Y409 AromaticContact CG-CE2 4Å
352	L	94.6	Very high	94.1	Very high	20 Å²	20	48.1 Å²	48.1	11%	0.105	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.6	171.6	-176.8	64.2	0	0	0	110.1	L371 L389 A392 I393 P407 I408 Y409	L352-L371 HydrophobicContact CD1-CB 3.97Å; L352-L371 HydrophobicContact CD1-CD2 4.13Å; L352-L371 HydrophobicContact CD2-CD2 4.3Å; L352-L389 HydrophobicContact CD2-CD1 3.77Å; L352-A392 HydrophobicContact CD1-CB 4.1Å; L352-A392 HydrophobicContact CD2-CB 4.28Å; L352-I393 HydrophobicContact CD2-CG1 4.35Å; L352-P407 PolarHBondContact N-O 3.29Å; L352-I408 HydrophobicContact CB-CG1 4.3Å; L352-I408 HydrophobicContact CD2-CD1 4.36Å; L352-I408 HydrophobicContact CD2-CG1 4.39Å; L352-I408 HydrophobicContact CD2-CG2 4.42Å; L352-I408 WeakPolarHBondContact O-CA 3.39Å; L352-Y409 PolarHBondContact O-N 2.87Å
353	L	96.8	Very high	94	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.6	166.2	179.9	66.8	0	0	0	109.2	Y341 L367 H369 A370 L371 Y409 I411 V442	Y341-L353 HydrophobicContact CE1-CD1 4.14Å; Y341-L353 HydrophobicContact CE1-CD2 4.04Å; Y341-L353 HydrophobicContact CE2-CD1 4.21Å; Y341-L353 WeakPolarHBondContact OH-CB 3.46Å; Y341-L353 WeakPolarHBondContact OH-CD2 3.45Å; L353-L367 HydrophobicContact CD2-CB 4.3Å; L353-L367 HydrophobicContact CD2-CD1 3.73Å; L353-H369 WeakPolarHBondContact CD2-NE2 3.48Å; L353-A370 HydrophobicContact CB-CB 4.48Å; L353-A370 HydrophobicContact CD2-CB 3.72Å; L353-A370 HydrophobicContact CG-CB 3.98Å; L353-A370 WeakPolarHBondContact O-CA 3.24Å; L353-L371 PolarHBondContact O-N 3.37Å; L353-Y409 CarbonylContact C-O 3.6Å; L353-Y409 WeakPolarHBondContact CA-O 3.22Å; L353-I411 HydrophobicContact CD1-CB 4.02Å; L353-I411 HydrophobicContact CD1-CG2 3.84Å; L353-I411 HydrophobicContact CD2-CG2 4.34Å; L353-I411 HydrophobicContact CG-CG2 4.14Å; L353-V442 HydrophobicContact CD1-CG2 4.42Å
354	L	97.5	Very high	93.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.4	-179.8	-169.1	68	0	0	0	110.6	V356 L371 I373 L378 L389 I408 Y409 V410 I411 L425	L354-V356 HydrophobicContact CD2-CG1 3.83Å; L354-V356 HydrophobicContact CG-CG1 3.86Å; L354-L371 CarbonylContact C-O 3.24Å; L354-L371 WeakPolarHBondContact CA-O 3.47Å; L354-L371 HydrophobicContact CD1-CB 4.34Å; L354-L371 HydrophobicContact CD1-CD2 4.11Å; L354-L371 HydrophobicContact CD1-CG 4.17Å; L354-I373 HydrophobicContact CD1-CB 3.86Å; L354-I373 HydrophobicContact CD1-CD1 3.86Å; L354-I373 HydrophobicContact CD1-CG1 3.77Å; L354-L378 HydrophobicContact CD2-CD1 4.06Å; L354-L389 HydrophobicContact CD1-CD1 4.47Å; L354-I408 HydrophobicContact CB-CG2 4.43Å; L354-Y409 PolarHBondContact N-O 3.48Å; L354-V410 CarbonylContact O-C 3.6Å; L354-V410 WeakPolarHBondContact O-CA 3.47Å; L354-I411 PolarHBondContact O-N 3.35Å; L354-L425 HydrophobicContact CD2-CD1 4.03Å
355	D	97.9	Very high	93.9	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.011	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	117.4	168.8	-166.8	-30.2	0	0	0	109.5	R357 A370 L371 H372 I373 I411	D355-R357 VanDerWaalsContact OD1-CB 3.31Å; D355-R357 WeakPolarHBondContact OD1-CB 3.06Å; D355-R357 VanDerWaalsContact OD1-CG 3.26Å; D355-R357 WeakPolarHBondContact OD1-CG 3.2Å; D355-R357 IonicContact OD1-CZ 3.11Å; D355-R357 PolarHBondContact OD1-N 2.94Å; D355-R357 IonicContact OD1-NE 3.7Å; D355-R357 PolarHBondContact OD1-NE 3.25Å; D355-R357 IonicContact OD1-NH2 2.67Å; D355-R357 IonicContact OD2-CZ 3.59Å; D355-R357 VanDerWaalsContact OD2-CZ 3.31Å; D355-R357 IonicContact OD2-NE 3.43Å; D355-R357 PolarHBondContact OD2-NE 2.98Å; D355-R357 VanDerWaalsContact OD2-NE 3.11Å; D355-R357 IonicContact OD2-NH2 2.7Å; D355-R357 PolarHBondContact OD2-NH2 2.91Å; D355-A370 HydrophobicContact CB-CB 4.14Å; D355-L371 PolarHBondContact N-O 3.28Å; D355-H372 WeakPolarHBondContact O-CA 3.35Å; D355-H372 PolarHBondContact O-CD2 3.27Å; D355-H372 VanDerWaalsContact O-CD2 3.29Å; D355-I373 PolarHBondContact O-N 2.95Å; D355-I411 WeakPolarHBondContact CA-O 3.47Å; D355-I411 HydrophobicContact CB-CG2 4.18Å
356	V	97.5	Very high	94	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.012	29%	0.293	C	S	.	.			trans	-103.9	9.2	-175.9	-60.2	0	0	0	0	114.1	L354 I373 L375 L378 V410 I411 C412 A421	L354-V356 HydrophobicContact CD2-CG1 3.83Å; L354-V356 HydrophobicContact CG-CG1 3.86Å; V356-I373 WeakPolarHBondContact CA-O 3.23Å; V356-L375 HydrophobicContact CB-CB 4.24Å; V356-L375 PolarHBondContact O-N 3.44Å; V356-L378 HydrophobicContact CG1-CD1 3.97Å; V356-V410 HydrophobicContact CB-CG1 4.35Å; V356-V410 HydrophobicContact CG1-CG1 3.51Å; V356-V410 HydrophobicContact CG2-CG1 3.9Å; V356-I411 PolarHBondContact N-O 3.02Å; V356-C412 HydrophobicContact CG2-CB 3.92Å; V356-A421 HydrophobicContact CB-CB 4.24Å; V356-A421 HydrophobicContact CG1-CB 3.79Å; V356-A421 HydrophobicContact CG2-CB 4.04Å
357	R	96.2	Very high	94	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.008	27%	0.269	C	S	.	.	S	Bend	trans	-67.7	157.5	179.3	-64.4	178	-64.2	151.1	4.6	111.8	D355 E361 V362 C365 H372 C412 L446 Y460	D355-R357 VanDerWaalsContact OD1-CB 3.31Å; D355-R357 WeakPolarHBondContact OD1-CB 3.06Å; D355-R357 VanDerWaalsContact OD1-CG 3.26Å; D355-R357 WeakPolarHBondContact OD1-CG 3.2Å; D355-R357 IonicContact OD1-CZ 3.11Å; D355-R357 PolarHBondContact OD1-N 2.94Å; D355-R357 IonicContact OD1-NE 3.7Å; D355-R357 PolarHBondContact OD1-NE 3.25Å; D355-R357 IonicContact OD1-NH2 2.67Å; D355-R357 IonicContact OD2-CZ 3.59Å; D355-R357 VanDerWaalsContact OD2-CZ 3.31Å; D355-R357 IonicContact OD2-NE 3.43Å; D355-R357 PolarHBondContact OD2-NE 2.98Å; D355-R357 VanDerWaalsContact OD2-NE 3.11Å; D355-R357 IonicContact OD2-NH2 2.7Å; D355-R357 PolarHBondContact OD2-NH2 2.91Å; R357-E361 HydrophobicContact CB-CB 3.93Å; R357-E361 WeakPolarHBondContact CD-OE2 3.26Å; R357-E361 PolarHBondContact NH1-O 2.95Å; R357-V362 HydrophobicContact CB-CG2 4.22Å; R357-C365 PolarHBondContact NH1-O 3.49Å; R357-C365 PolarHBondContact NH2-O 3.36Å; R357-H372 PolarHBondContact O-NE2 2.92Å; R357-C412 HydrophobicContact CG-CB 4.04Å; R357-L446 VanDerWaalsContact NE-CD1 3.3Å; R357-L446 VanDerWaalsContact NH1-CD1 3.31Å; R357-L446 VanDerWaalsContact NH2-CD1 3.34Å; R357-Y460 PolarHBondContact NH1-OH 2.73Å
358	P	93.7	Very high	94	Very high	60 Å²	60	47.3 Å²	47.3	39%	0.39	28%	0.278	S	S	.	.			trans	-56	151.7	166	-23	34.3	0	0	0	112	V360 E361 V362	P358-V360 HydrophobicContact CB-CG2 4.03Å; P358-V360 PolarHBondContact O-N 2.94Å; P358-E361 WeakPolarHBondContact CD-OE1 3.3Å; P358-E361 PolarHBondContact O-N 2.94Å; P358-V362 PolarHBondContact O-N 2.99Å
359	Q	94.6	Very high	94.3	Very high	97 Å²	97	47.9 Å²	47.9	45%	0.453	26%	0.262	S	S	.	.	H	α-helix	trans	-51	-44.7	179.5	-174.3	62.5	52.8	0	0	112.6	E361 V362 D363 H372	Q359-E361 PolarHBondContact O-N 2.85Å; Q359-E361 VanDerWaalsContact O-N 3.1Å; Q359-V362 WeakPolarHBondContact O-CA 3.29Å; Q359-V362 WeakPolarHBondContact O-CB 3.24Å; Q359-V362 PolarHBondContact O-N 3.35Å; Q359-D363 PolarHBondContact NE2-OD1 2.94Å; Q359-D363 PolarHBondContact O-N 2.99Å; Q359-H372 PolarHBondContact OE1-CE1 2.81Å; Q359-H372 PolarHBondContact OE1-ND1 3.48Å
360	V	92.3	Very high	94.8	Very high	105 Å²	105	45.8 Å²	45.8	64%	0.636	25%	0.245	S	C	*	.	H	α-helix	trans	-58.3	-27.1	-179.5	-64	0	0	0	0	113.9	P358 I364	P358-V360 HydrophobicContact CB-CG2 4.03Å; P358-V360 PolarHBondContact O-N 2.94Å; V360-I364 WeakPolarHBondContact O-CG1 3.48Å
361	E	93.6	Very high	95.2	Very high	39 Å²	39	45.3 Å²	45.3	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-84.5	-32.8	175.8	-72.5	-173.1	-135.8	0	0	112.3	R357 P358 Q359 D363 I364 C365 Y460	R357-E361 HydrophobicContact CB-CB 3.93Å; R357-E361 WeakPolarHBondContact CD-OE2 3.26Å; R357-E361 PolarHBondContact NH1-O 2.95Å; P358-E361 WeakPolarHBondContact CD-OE1 3.3Å; P358-E361 PolarHBondContact O-N 2.94Å; Q359-E361 PolarHBondContact O-N 2.85Å; Q359-E361 VanDerWaalsContact O-N 3.1Å; E361-D363 VanDerWaalsContact C-N 3.28Å; E361-I364 WeakPolarHBondContact O-CB 3.48Å; E361-I364 PolarHBondContact O-N 3.42Å; E361-C365 PolarHBondContact O-N 2.86Å; E361-Y460 HydrophobicContact CG-CE2 4.05Å; E361-Y460 PolarHBondContact OE2-OH 3.22Å
362	V	95.2	Very high	95.4	Very high	7 Å²	7	45 Å²	45	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-66.8	-34.5	173.3	175.1	0	0	0	0	111.2	R357 P358 Q359 I364 C365 R366 H372	R357-V362 HydrophobicContact CB-CG2 4.22Å; P358-V362 PolarHBondContact O-N 2.99Å; Q359-V362 WeakPolarHBondContact O-CA 3.29Å; Q359-V362 WeakPolarHBondContact O-CB 3.24Å; Q359-V362 PolarHBondContact O-N 3.35Å; V362-I364 PolarHBondContact O-N 2.9Å; V362-C365 CarbonylContact O-C 3.58Å; V362-C365 PolarHBondContact O-N 3.5Å; V362-R366 HydrophobicContact CG1-CB 4.06Å; V362-H372 VanDerWaalsContact CG2-CD2 3.42Å; V362-H372 WeakPolarHBondContact CG2-CD2 3.36Å; V362-H372 WeakPolarHBondContact CG2-NE2 3.44Å
363	D	95.1	Very high	95.6	Very high	111 Å²	111	44.1 Å²	44.1	59%	0.594	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.9	175.1	-61.5	-21.6	0	0	0	112.5	Q359 E361	Q359-D363 PolarHBondContact NE2-OD1 2.94Å; Q359-D363 PolarHBondContact O-N 2.99Å; E361-D363 VanDerWaalsContact C-N 3.28Å
364	I	94	Very high	95.6	Very high	93 Å²	93	45 Å²	45	48%	0.477	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-51.8	174.6	-62.8	169.4	0	0	0	110.3	V360 E361 V362 Y460	V360-I364 WeakPolarHBondContact O-CG1 3.48Å; E361-I364 WeakPolarHBondContact O-CB 3.48Å; E361-I364 PolarHBondContact O-N 3.42Å; V362-I364 PolarHBondContact O-N 2.9Å; I364-Y460 HydrophobicContact CD1-CD2 3.91Å; I364-Y460 HydrophobicContact CD1-CE2 4.04Å; I364-Y460 HydrophobicContact CD1-CG 4.26Å; I364-Y460 HydrophobicContact CG2-CD1 4.09Å; I364-Y460 HydrophobicContact CG2-CE1 4.5Å; I364-Y460 HydrophobicContact CG2-CG 4.36Å
365	C	95.3	Very high	95.4	Very high	13 Å²	13	45.8 Å²	45.8	9%	0.088	24%	0.243	C	C	.	.			trans	-163.6	151.4	-178.5	58.7	0	0	0	0	109.5	R357 E361 V362 F457 P458	R357-C365 PolarHBondContact NH1-O 3.49Å; R357-C365 PolarHBondContact NH2-O 3.36Å; E361-C365 PolarHBondContact O-N 2.86Å; V362-C365 CarbonylContact O-C 3.58Å; V362-C365 PolarHBondContact O-N 3.5Å; C365-F457 HydrophobicContact CB-CE1 4.07Å; C365-F457 HydrophobicContact CB-CE2 4.42Å; C365-F457 HydrophobicContact CB-CZ 3.8Å; C365-F457 VanDerWaalsContact SG-CE1 3.51Å; C365-P458 HydrophobicContact CB-CB 4.12Å; C365-P458 HydrophobicContact CB-CG 3.93Å
366	R	96.1	Very high	95.2	Very high	117 Å²	117	52 Å²	52	44%	0.442	27%	0.269	S	S	.	.			trans	-152.5	155.7	174.5	64.5	179.5	-71.9	-174.1	-1.6	111.2	V362 A370	V362-R366 HydrophobicContact CG1-CB 4.06Å; R366-A370 PolarHBondContact NH2-O 3.01Å
367	L	95.8	Very high	95.1	Very high	8 Å²	8	55.5 Å²	55.5	4%	0.042	29%	0.286	C	S	.	.			trans	-75.7	127.2	165.2	-65	175.3	0	0	0	108.4	L353 H369 A370 I411 L446 W449 F457	L353-L367 HydrophobicContact CD2-CB 4.3Å; L353-L367 HydrophobicContact CD2-CD1 3.73Å; L367-H369 PolarHBondContact O-N 2.85Å; L367-A370 HydrophobicContact CB-CB 4.19Å; L367-A370 WeakPolarHBondContact O-CB 3.29Å; L367-A370 PolarHBondContact O-N 3.34Å; L367-A370 VanDerWaalsContact O-N 3.09Å; L367-I411 HydrophobicContact CD1-CD1 4.11Å; L367-L446 HydrophobicContact CD1-CD2 3.8Å; L367-L446 HydrophobicContact CG-CD2 3.8Å; L367-W449 HydrophobicContact CD1-CD2 4.4Å; L367-W449 HydrophobicContact CD2-CD2 4.33Å; L367-W449 HydrophobicContact CD2-CZ2 3.97Å; L367-F457 HydrophobicContact CD2-CD2 4.27Å; L367-F457 HydrophobicContact CD2-CE2 3.86Å; L367-F457 HydrophobicContact CG-CE2 4.41Å
368	P	93.7	Very high	94.9	Very high	119 Å²	119	55.4 Å²	55.4	77%	0.773	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-33.9	-173	-27.4	35.1	0	0	0	114.2	A370	P368-A370 VanDerWaalsContact C-N 3.35Å
369	H	93.3	Very high	94.8	Very high	78 Å²	78	57.4 Å²	57.4	36%	0.361	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-1	-178.6	64.2	-74.1	0	0	0	114.1	Y341 L353 L367	Y341-H369 PolarHBondContact OH-NE2 2.96Å; L353-H369 WeakPolarHBondContact CD2-NE2 3.48Å; L367-H369 PolarHBondContact O-N 2.85Å
370	A	96.3	Very high	94.8	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.033	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-80.3	132.1	178	0	0	0	0	0	111.4	L353 D355 R366 L367 P368	L353-A370 HydrophobicContact CB-CB 4.48Å; L353-A370 HydrophobicContact CD2-CB 3.72Å; L353-A370 HydrophobicContact CG-CB 3.98Å; L353-A370 WeakPolarHBondContact O-CA 3.24Å; D355-A370 HydrophobicContact CB-CB 4.14Å; R366-A370 PolarHBondContact NH2-O 3.01Å; L367-A370 HydrophobicContact CB-CB 4.19Å; L367-A370 WeakPolarHBondContact O-CB 3.29Å; L367-A370 PolarHBondContact O-N 3.34Å; L367-A370 VanDerWaalsContact O-N 3.09Å; P368-A370 VanDerWaalsContact C-N 3.35Å
371	L	96.8	Very high	94.7	Very high	35 Å²	35	62.5 Å²	62.5	18%	0.183	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.2	164.2	178.9	65	0	0	0	108.7	L352 L353 L354 D355 I373 L388 A392	L352-L371 HydrophobicContact CD1-CB 3.97Å; L352-L371 HydrophobicContact CD1-CD2 4.13Å; L352-L371 HydrophobicContact CD2-CD2 4.3Å; L353-L371 PolarHBondContact O-N 3.37Å; L354-L371 CarbonylContact C-O 3.24Å; L354-L371 WeakPolarHBondContact CA-O 3.47Å; L354-L371 HydrophobicContact CD1-CB 4.34Å; L354-L371 HydrophobicContact CD1-CD2 4.11Å; L354-L371 HydrophobicContact CD1-CG 4.17Å; D355-L371 PolarHBondContact N-O 3.28Å; L371-I373 HydrophobicContact CD2-CD1 4.01Å; L371-I373 HydrophobicContact CD2-CG1 4.39Å; L371-I373 HydrophobicContact CG-CD1 4.43Å; L371-I373 HydrophobicContact CG-CG1 4.27Å; L371-L388 HydrophobicContact CD1-CD1 4.48Å; L371-L388 HydrophobicContact CD1-CD2 3.98Å; L371-L388 HydrophobicContact CD1-CG 4.1Å; L371-A392 HydrophobicContact CD2-CB 3.66Å
372	H	97.6	Very high	94.6	Very high	31 Å²	31	63.6 Å²	63.6	14%	0.144	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.2	179.4	174.8	-129.2	0	0	0	111.1	D355 R357 Q359 V362	D355-H372 WeakPolarHBondContact O-CA 3.35Å; D355-H372 PolarHBondContact O-CD2 3.27Å; D355-H372 VanDerWaalsContact O-CD2 3.29Å; R357-H372 PolarHBondContact O-NE2 2.92Å; Q359-H372 PolarHBondContact OE1-CE1 2.81Å; Q359-H372 PolarHBondContact OE1-ND1 3.48Å; V362-H372 VanDerWaalsContact CG2-CD2 3.42Å; V362-H372 WeakPolarHBondContact CG2-CD2 3.36Å; V362-H372 WeakPolarHBondContact CG2-NE2 3.44Å
373	I	97.4	Very high	94.3	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.01	32%	0.323	C	S	.	.			trans	-139.7	108	169.4	-57	-179.1	0	0	0	108.1	L354 D355 V356 L371 L375 H377 L378 S385 L388 L389	L354-I373 HydrophobicContact CD1-CB 3.86Å; L354-I373 HydrophobicContact CD1-CD1 3.86Å; L354-I373 HydrophobicContact CD1-CG1 3.77Å; D355-I373 PolarHBondContact O-N 2.95Å; V356-I373 WeakPolarHBondContact CA-O 3.23Å; L371-I373 HydrophobicContact CD2-CD1 4.01Å; L371-I373 HydrophobicContact CD2-CG1 4.39Å; L371-I373 HydrophobicContact CG-CD1 4.43Å; L371-I373 HydrophobicContact CG-CG1 4.27Å; I373-L375 PolarHBondContact O-N 2.94Å; I373-H377 HydrophobicContact CG2-CB 4.28Å; I373-L378 HydrophobicContact CG2-CD2 3.72Å; I373-L378 HydrophobicContact CG2-CG 3.95Å; I373-S385 WeakPolarHBondContact CD1-O 3.17Å; I373-L388 HydrophobicContact CG1-CD2 4.46Å; I373-L389 HydrophobicContact CD1-CB 3.73Å; I373-L389 HydrophobicContact CD1-CD1 4.27Å; I373-L389 HydrophobicContact CD1-CG 4.47Å
374	P	96.8	Very high	94.2	Very high	21 Å²	21	67.1 Å²	67.1	14%	0.136	33%	0.326	C	S	.	.			trans	-55.2	140.8	-178.6	-25.3	32.6	0	0	0	112.9	K376 H377 L378	P374-K376 PolarHBondContact O-N 3Å; P374-K376 VanDerWaalsContact O-N 3.11Å; P374-H377 WeakPolarHBondContact O-CB 3.41Å; P374-H377 PolarHBondContact O-N 2.83Å; P374-L378 PolarHBondContact O-N 3.03Å
375	L	95	Very high	94.2	Very high	15 Å²	15	63.3 Å²	63.3	8%	0.079	31%	0.308	C	S	.	.	H	α-helix	trans	-49.9	-42.6	177.2	171.4	61.9	0	0	0	112.1	V356 I373 H377 L378 E379 D417 K420 A421	V356-L375 HydrophobicContact CB-CB 4.24Å; V356-L375 PolarHBondContact O-N 3.44Å; I373-L375 PolarHBondContact O-N 2.94Å; L375-H377 PolarHBondContact O-N 2.99Å; L375-L378 WeakPolarHBondContact O-CB 3.14Å; L375-L378 PolarHBondContact O-N 3.13Å; L375-E379 HydrophobicContact CD1-CG 3.93Å; L375-E379 HydrophobicContact CG-CG 4.15Å; L375-E379 WeakPolarHBondContact O-CG 3.28Å; L375-E379 PolarHBondContact O-N 3.18Å; L375-D417 HydrophobicContact CD2-CB 3.85Å; L375-K420 HydrophobicContact CD1-CB 4.29Å; L375-K420 HydrophobicContact CD2-CB 4.07Å; L375-K420 HydrophobicContact CD2-CD 4.07Å; L375-A421 HydrophobicContact CD1-CB 3.86Å
376	K	93.3	Very high	93.9	Very high	132 Å²	132	63.6 Å²	63.6	57%	0.574	31%	0.309	S	S	*	.	H	α-helix	trans	-58.9	-30.5	179.2	-70.2	-175.6	178.9	177	0	113.6	P374 R380	P374-K376 PolarHBondContact O-N 3Å; P374-K376 VanDerWaalsContact O-N 3.11Å; K376-R380 WeakPolarHBondContact O-CB 3.26Å; K376-R380 WeakPolarHBondContact O-CD 3.42Å; K376-R380 VanDerWaalsContact O-CG 3.22Å; K376-R380 WeakPolarHBondContact O-CG 3.34Å; K376-R380 PolarHBondContact O-N 2.71Å
377	H	94.8	Very high	93.7	Very high	76 Å²	76	63.3 Å²	63.3	35%	0.352	31%	0.311	S	S	.	.	H	α-helix	trans	-75.7	-38.2	178.3	-68.2	-160.4	0	0	0	110.4	I373 P374 L375 R380 R381 D382 S385	I373-H377 HydrophobicContact CG2-CB 4.28Å; P374-H377 WeakPolarHBondContact O-CB 3.41Å; P374-H377 PolarHBondContact O-N 2.83Å; L375-H377 PolarHBondContact O-N 2.99Å; H377-R380 PolarHBondContact O-N 3.47Å; H377-R381 PolarHBondContact O-N 2.87Å; H377-R381 VanDerWaalsContact O-N 3.1Å; H377-D382 HydrophobicContact CB-CB 4.04Å; H377-D382 PolarHBondContact O-N 3.44Å; H377-S385 WeakPolarHBondContact CB-OG 3.28Å; H377-S385 PolarHBondContact ND1-OG 2.88Å
378	L	92.4	Very high	93.6	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-63.4	-47.4	172.7	-59.9	175.2	0	0	0	111.3	L354 V356 I373 P374 L375 R380 R381 L389 A421 V424 L425	L354-L378 HydrophobicContact CD2-CD1 4.06Å; V356-L378 HydrophobicContact CG1-CD1 3.97Å; I373-L378 HydrophobicContact CG2-CD2 3.72Å; I373-L378 HydrophobicContact CG2-CG 3.95Å; P374-L378 PolarHBondContact O-N 3.03Å; L375-L378 WeakPolarHBondContact O-CB 3.14Å; L375-L378 PolarHBondContact O-N 3.13Å; L378-R380 VanDerWaalsContact C-N 3.26Å; L378-R380 PolarHBondContact O-N 3.46Å; L378-R381 PolarHBondContact O-N 3.23Å; L378-L389 HydrophobicContact CD2-CD2 4.44Å; L378-A421 HydrophobicContact CD1-CB 4.15Å; L378-V424 HydrophobicContact CB-CG1 3.99Å; L378-L425 HydrophobicContact CD2-CD2 4.34Å
379	E	92.1	Very high	93.5	Very high	101 Å²	101	60.9 Å²	60.9	47%	0.472	29%	0.291	S	S	.	.	H	α-helix	trans	-59.8	-36.5	178.8	-71.7	174.5	154.4	0	0	112.5	L375 R381 V424	L375-E379 HydrophobicContact CD1-CG 3.93Å; L375-E379 HydrophobicContact CG-CG 4.15Å; L375-E379 WeakPolarHBondContact O-CG 3.28Å; L375-E379 PolarHBondContact O-N 3.18Å; E379-R381 VanDerWaalsContact C-N 3.33Å; E379-V424 HydrophobicContact CG-CG2 4.12Å
380	R	92.9	Very high	93.3	Very high	201 Å²	201	62 Å²	62	76%	0.758	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-3.7	178.5	-69.3	175.3	-178.5	-168.8	-2.2	114	K376 H377 L378 D382	K376-R380 WeakPolarHBondContact O-CB 3.26Å; K376-R380 WeakPolarHBondContact O-CD 3.42Å; K376-R380 VanDerWaalsContact O-CG 3.22Å; K376-R380 WeakPolarHBondContact O-CG 3.34Å; K376-R380 PolarHBondContact O-N 2.71Å; H377-R380 PolarHBondContact O-N 3.47Å; L378-R380 VanDerWaalsContact C-N 3.26Å; L378-R380 PolarHBondContact O-N 3.46Å; R380-D382 VanDerWaalsContact C-N 3.28Å; R380-D382 PolarHBondContact O-N 2.95Å
381	R	90.3	Very high	93	Very high	109 Å²	109	66 Å²	66	41%	0.411	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	46.1	-174.2	-52.9	-170	178.1	-155.4	-1.9	112.4	H377 L378 E379 G383 L386 L428 E433	H377-R381 PolarHBondContact O-N 2.87Å; H377-R381 VanDerWaalsContact O-N 3.1Å; L378-R381 PolarHBondContact O-N 3.23Å; E379-R381 VanDerWaalsContact C-N 3.33Å; R381-G383 PolarHBondContact O-N 3.42Å; R381-L386 HydrophobicContact CB-CD1 4Å; R381-L428 HydrophobicContact CG-CD2 4.1Å; R381-E433 IonicContact CZ-OE1 3.58Å; R381-E433 VanDerWaalsContact NH1-CD 3.26Å; R381-E433 IonicContact NH1-OE1 2.73Å; R381-E433 PolarHBondContact NH1-OE1 3.3Å; R381-E433 IonicContact NH1-OE2 2.82Å; R381-E433 PolarHBondContact NH1-OE2 3.16Å
382	D	91.6	Very high	92.6	Very high	62 Å²	62	65.1 Å²	65.1	33%	0.332	31%	0.311	S	S	.	.			trans	-58.8	125.1	179.6	176.6	71.9	0	0	0	111.4	H377 R380 E384 S385 L386	H377-D382 HydrophobicContact CB-CB 4.04Å; H377-D382 PolarHBondContact O-N 3.44Å; R380-D382 VanDerWaalsContact C-N 3.28Å; R380-D382 PolarHBondContact O-N 2.95Å; D382-E384 PolarHBondContact O-N 3.48Å; D382-S385 PolarHBondContact O-N 3.09Å; D382-S385 VanDerWaalsContact OD2-CB 3.29Å; D382-S385 WeakPolarHBondContact OD2-CB 3.36Å; D382-S385 PolarHBondContact OD2-N 3.45Å; D382-S385 PolarHBondContact OD2-OG 2.75Å; D382-L386 WeakPolarHBondContact O-CG 3.39Å; D382-L386 PolarHBondContact O-N 3.4Å
383	G	90	Very high	92.2	Very high	51 Å²	51	64.1 Å²	64.1	53%	0.526	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-40.9	-169.9	0	0	0	0	0	113.9	R381 K387	R381-G383 PolarHBondContact O-N 3.42Å; G383-K387 WeakPolarHBondContact O-CB 3.3Å; G383-K387 PolarHBondContact O-N 2.85Å
384	E	92.9	Very high	91.5	Very high	140 Å²	140	72 Å²	72	65%	0.654	34%	0.336	S	S	*	.	H	α-helix	trans	-66.6	-44.5	177.4	-68.9	-63.1	134.9	0	0	110.9	D382 L386 K387 L388	D382-E384 PolarHBondContact O-N 3.48Å; E384-L386 PolarHBondContact O-N 2.72Å; E384-K387 PolarHBondContact O-N 3.37Å; E384-L388 WeakPolarHBondContact O-CB 3.31Å; E384-L388 PolarHBondContact O-N 3Å
385	S	92.9	Very high	90.9	Very high	13 Å²	13	77.6 Å²	77.6	9%	0.091	36%	0.36	C	S	.	.	H	α-helix	trans	-63.3	-41.8	177.7	-58.4	0	0	0	0	112.3	I373 H377 D382 L388 L389	I373-S385 WeakPolarHBondContact CD1-O 3.17Å; H377-S385 WeakPolarHBondContact CB-OG 3.28Å; H377-S385 PolarHBondContact ND1-OG 2.88Å; D382-S385 PolarHBondContact O-N 3.09Å; D382-S385 VanDerWaalsContact OD2-CB 3.29Å; D382-S385 WeakPolarHBondContact OD2-CB 3.36Å; D382-S385 PolarHBondContact OD2-N 3.45Å; D382-S385 PolarHBondContact OD2-OG 2.75Å; S385-L388 PolarHBondContact O-N 2.96Å; S385-L389 WeakPolarHBondContact O-CB 3.29Å; S385-L389 PolarHBondContact O-N 3.12Å
386	L	90.4	Very high	90.1	Very high	20 Å²	20	77.6 Å²	77.6	11%	0.105	36%	0.364	C	S	.	.	H	α-helix	trans	-68.6	-35.8	176.5	-70.2	-179.9	0	0	0	112.3	R381 D382 E384 L389 K390 L428	R381-L386 HydrophobicContact CB-CD1 4Å; D382-L386 WeakPolarHBondContact O-CG 3.39Å; D382-L386 PolarHBondContact O-N 3.4Å; E384-L386 PolarHBondContact O-N 2.72Å; L386-L389 PolarHBondContact O-N 3.27Å; L386-K390 WeakPolarHBondContact O-CB 3.45Å; L386-K390 VanDerWaalsContact O-CG 3.28Å; L386-K390 WeakPolarHBondContact O-CG 3.45Å; L386-K390 PolarHBondContact O-N 3.09Å; L386-L428 HydrophobicContact CD2-CD1 3.87Å
387	K	91.4	Very high	89.4	Confident	111 Å²	111	74.4 Å²	74.4	48%	0.483	35%	0.35	S	S	.	.	H	α-helix	trans	-63	-48.6	173.9	-178	-179	170.5	-169.8	0	110.8	G383 E384 L389 K390 E391	G383-K387 WeakPolarHBondContact O-CB 3.3Å; G383-K387 PolarHBondContact O-N 2.85Å; E384-K387 PolarHBondContact O-N 3.37Å; K387-L389 VanDerWaalsContact C-N 3.3Å; K387-L389 PolarHBondContact O-N 2.89Å; K387-K390 PolarHBondContact O-N 3.06Å; K387-K390 VanDerWaalsContact O-N 3.13Å; K387-E391 WeakPolarHBondContact CE-OE1 3.32Å; K387-E391 WeakPolarHBondContact O-CG 3.39Å; K387-E391 PolarHBondContact O-N 2.76Å
388	L	93.3	Very high	88	Confident	75 Å²	75	78 Å²	78	39%	0.393	37%	0.367	S	S	.	.	H	α-helix	trans	-58.1	-42.5	176	-177.5	65.5	0	0	0	111.9	L371 I373 E384 S385 E391 A392	L371-L388 HydrophobicContact CD1-CD1 4.48Å; L371-L388 HydrophobicContact CD1-CD2 3.98Å; L371-L388 HydrophobicContact CD1-CG 4.1Å; I373-L388 HydrophobicContact CG1-CD2 4.46Å; E384-L388 WeakPolarHBondContact O-CB 3.31Å; E384-L388 PolarHBondContact O-N 3Å; S385-L388 PolarHBondContact O-N 2.96Å; L388-E391 PolarHBondContact O-N 3.15Å; L388-A392 WeakPolarHBondContact O-CB 3.34Å; L388-A392 PolarHBondContact O-N 3.21Å
389	L	91.5	Very high	86.4	Confident	0 Å²	0	81 Å²	81	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-62.5	-43.9	176.1	-177.9	59.7	0	0	0	111.8	L352 L354 I373 L378 S385 L386 K387 A392 I393 L425 L434	L352-L389 HydrophobicContact CD2-CD1 3.77Å; L354-L389 HydrophobicContact CD1-CD1 4.47Å; I373-L389 HydrophobicContact CD1-CB 3.73Å; I373-L389 HydrophobicContact CD1-CD1 4.27Å; I373-L389 HydrophobicContact CD1-CG 4.47Å; L378-L389 HydrophobicContact CD2-CD2 4.44Å; S385-L389 WeakPolarHBondContact O-CB 3.29Å; S385-L389 PolarHBondContact O-N 3.12Å; L386-L389 PolarHBondContact O-N 3.27Å; K387-L389 VanDerWaalsContact C-N 3.3Å; K387-L389 PolarHBondContact O-N 2.89Å; L389-A392 PolarHBondContact O-N 3.13Å; L389-I393 HydrophobicContact CD1-CD1 4.09Å; L389-I393 HydrophobicContact CD1-CG1 4.41Å; L389-I393 HydrophobicContact CG-CD1 3.84Å; L389-I393 WeakPolarHBondContact O-CD1 3.39Å; L389-I393 WeakPolarHBondContact O-CG1 3.34Å; L389-I393 PolarHBondContact O-N 3.28Å; L389-L425 HydrophobicContact CD2-CD2 3.62Å; L389-L434 HydrophobicContact CD2-CD1 4.26Å; L389-L434 HydrophobicContact CD2-CD2 4.4Å
390	K	89.8	Confident	84.8	Confident	101 Å²	101	78.5 Å²	78.5	44%	0.439	39%	0.39	S	S	.	.	H	α-helix	trans	-64.1	-42.2	177.8	-74.7	174	-177.9	-166.8	0	112.1	L386 K387 I393 W394 E433 L434	L386-K390 WeakPolarHBondContact O-CB 3.45Å; L386-K390 VanDerWaalsContact O-CG 3.28Å; L386-K390 WeakPolarHBondContact O-CG 3.45Å; L386-K390 PolarHBondContact O-N 3.09Å; K387-K390 PolarHBondContact O-N 3.06Å; K387-K390 VanDerWaalsContact O-N 3.13Å; K390-I393 PolarHBondContact O-N 3.03Å; K390-W394 WeakPolarHBondContact O-CB 3.33Å; K390-W394 PolarHBondContact O-N 3.12Å; K390-E433 WeakPolarHBondContact CE-O 3.48Å; K390-E433 PolarHBondContact NZ-O 3.45Å; K390-L434 HydrophobicContact CG-CD2 3.93Å
391	E	89.5	Confident	83	Confident	88 Å²	88	77.5 Å²	77.5	41%	0.411	39%	0.394	S	S	.	.	H	α-helix	trans	-60.5	-47.1	175.4	-72.9	170.9	178.7	0	0	110.7	K387 L388 I393 W394 E395	K387-E391 WeakPolarHBondContact CE-OE1 3.32Å; K387-E391 WeakPolarHBondContact O-CG 3.39Å; K387-E391 PolarHBondContact O-N 2.76Å; L388-E391 PolarHBondContact O-N 3.15Å; E391-I393 PolarHBondContact O-N 2.97Å; E391-W394 WeakPolarHBondContact O-CB 3.29Å; E391-W394 PolarHBondContact O-N 3.18Å; E391-W394 VanDerWaalsContact O-N 3.17Å; E391-E395 WeakPolarHBondContact O-CG 3.44Å; E391-E395 PolarHBondContact O-N 3.23Å
392	A	89.8	Confident	81.2	Confident	18 Å²	18	82.1 Å²	82.1	15%	0.149	42%	0.42	C	S	.	.	H	α-helix	trans	-63.8	-38.4	177	0	0	0	0	0	113.3	L352 L371 L388 L389 W394 G396	L352-A392 HydrophobicContact CD1-CB 4.1Å; L352-A392 HydrophobicContact CD2-CB 4.28Å; L371-A392 HydrophobicContact CD2-CB 3.66Å; L388-A392 WeakPolarHBondContact O-CB 3.34Å; L388-A392 PolarHBondContact O-N 3.21Å; L389-A392 PolarHBondContact O-N 3.13Å; A392-W394 VanDerWaalsContact C-N 3.34Å; A392-G396 PolarHBondContact O-N 3.44Å; A392-G396 VanDerWaalsContact O-N 3.08Å
393	I	87.6	Confident	79.5	Confident	9 Å²	9	88.4 Å²	88.4	5%	0.046	45%	0.448	C	S	.	.	H	α-helix	trans	-64.8	-41.5	174.2	-69.2	161.7	0	0	0	110.5	L352 L389 K390 E391 G396 K397 I408 L434 L437	L352-I393 HydrophobicContact CD2-CG1 4.35Å; L389-I393 HydrophobicContact CD1-CD1 4.09Å; L389-I393 HydrophobicContact CD1-CG1 4.41Å; L389-I393 HydrophobicContact CG-CD1 3.84Å; L389-I393 WeakPolarHBondContact O-CD1 3.39Å; L389-I393 WeakPolarHBondContact O-CG1 3.34Å; L389-I393 PolarHBondContact O-N 3.28Å; K390-I393 PolarHBondContact O-N 3.03Å; E391-I393 PolarHBondContact O-N 2.97Å; I393-G396 PolarHBondContact O-N 2.93Å; I393-K397 WeakPolarHBondContact O-CG 3.4Å; I393-K397 PolarHBondContact O-N 3.25Å; I393-I408 HydrophobicContact CD1-CD1 3.91Å; I393-I408 HydrophobicContact CG1-CD1 3.99Å; I393-L434 HydrophobicContact CD1-CD2 3.77Å; I393-L437 HydrophobicContact CD1-CD1 4.49Å; I393-L437 HydrophobicContact CD1-CD2 4.08Å
394	W	83.9	Confident	78.2	Confident	168 Å²	168	88.6 Å²	88.6	64%	0.636	44%	0.444	S	S	*	.	H	α-helix	trans	-64.1	-45.6	178.5	-178.5	-97.5	0	0	0	112.1	K390 E391 A392 G396 K397	K390-W394 WeakPolarHBondContact O-CB 3.33Å; K390-W394 PolarHBondContact O-N 3.12Å; E391-W394 WeakPolarHBondContact O-CB 3.29Å; E391-W394 PolarHBondContact O-N 3.18Å; E391-W394 VanDerWaalsContact O-N 3.17Å; A392-W394 VanDerWaalsContact C-N 3.34Å; W394-G396 VanDerWaalsContact C-N 3.32Å; W394-G396 PolarHBondContact O-N 2.94Å; W394-K397 WeakPolarHBondContact O-CB 3.34Å; W394-K397 PolarHBondContact O-N 3.1Å
395	E	83.8	Confident	77.1	Confident	138 Å²	138	83.5 Å²	83.5	65%	0.645	43%	0.427	S	S	*	.	H	α-helix	trans	-60.3	-41.9	175.4	-72.7	177.7	177.2	0	0	111.7	E391 K397 Q398	E391-E395 WeakPolarHBondContact O-CG 3.44Å; E391-E395 PolarHBondContact O-N 3.23Å; E395-K397 PolarHBondContact O-N 3.46Å; E395-Q398 PolarHBondContact O-N 3.46Å
396	G	78.4	Confident	76.6	Confident	16 Å²	16	83.1 Å²	83.1	17%	0.165	42%	0.424	C	S	.	.	H	α-helix	trans	-62.2	-28.7	176.7	0	0	0	0	0	114.2	S350 A392 I393 W394 V406	S350-G396 PolarHBondContact OG-O 3.27Å; A392-G396 PolarHBondContact O-N 3.44Å; A392-G396 VanDerWaalsContact O-N 3.08Å; I393-G396 PolarHBondContact O-N 2.93Å; W394-G396 VanDerWaalsContact C-N 3.32Å; W394-G396 PolarHBondContact O-N 2.94Å; G396-V406 VanDerWaalsContact C-CG2 3.49Å
397	K	77.6	Confident	76.7	Confident	64 Å²	64	83.9 Å²	83.9	28%	0.278	43%	0.43	S	S	.	.	H	α-helix	trans	-73.6	-27.4	178.1	-76.1	-179.3	176.2	-172.8	0	113	I393 W394 E395 G399 T400 V406 D435	I393-K397 WeakPolarHBondContact O-CG 3.4Å; I393-K397 PolarHBondContact O-N 3.25Å; W394-K397 WeakPolarHBondContact O-CB 3.34Å; W394-K397 PolarHBondContact O-N 3.1Å; E395-K397 PolarHBondContact O-N 3.46Å; K397-G399 PolarHBondContact O-N 2.88Å; K397-G399 VanDerWaalsContact O-N 3.15Å; K397-T400 WeakPolarHBondContact CA-OG1 3.23Å; K397-T400 PolarHBondContact O-N 2.96Å; K397-T400 VanDerWaalsContact O-N 3.12Å; K397-T400 PolarHBondContact O-OG1 3.31Å; K397-V406 HydrophobicContact CB-CG2 4.28Å; K397-V406 HydrophobicContact CG-CG2 3.53Å; K397-D435 IonicContact NZ-OD2 3.89Å; K397-D435 PolarHBondContact NZ-OD2 3.48Å
398	Q	67	Low	76.8	Confident	151 Å²	151	78.6 Å²	78.6	71%	0.706	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-16.5	-178.7	-65.9	-169.9	12.4	0	0	113.4	E395	E395-Q398 PolarHBondContact O-N 3.46Å
399	G	57.9	Low	77	Confident	66 Å²	66	75.9 Å²	75.9	68%	0.68	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	1	175.6	0	0	0	0	0	115.4	K397	K397-G399 PolarHBondContact O-N 2.88Å; K397-G399 VanDerWaalsContact O-N 3.15Å
400	T	58.8	Low	77.3	Confident	47 Å²	47	75.9 Å²	75.9	29%	0.288	39%	0.391	S	S	.	.	S	Bend	trans	-122.5	153	-173.5	44	0	0	0	0	112	K397 E402	K397-T400 WeakPolarHBondContact CA-OG1 3.23Å; K397-T400 PolarHBondContact O-N 2.96Å; K397-T400 VanDerWaalsContact O-N 3.12Å; K397-T400 PolarHBondContact O-OG1 3.31Å; T400-E402 PolarHBondContact O-N 2.77Å
401	Q	55.5	Low	77.7	Confident	181 Å²	181	71 Å²	71	85%	0.846	37%	0.371	S	S	*	.			trans	-55	137.5	170.5	-73.4	-177.5	-26.8	0	0	109.9	E403 A404	Q401-E403 PolarHBondContact O-N 2.92Å; Q401-A404 PolarHBondContact O-N 3.48Å; Q401-A404 VanDerWaalsContact O-N 3.16Å
402	E	51.7	Low	78	Confident	205 Å²	205	67 Å²	67	96%	0.958	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	1.1	-158.8	-78.2	173.9	140.3	0	0	118.7	T400	T400-E402 PolarHBondContact O-N 2.77Å
403	E	55.2	Low	78.2	Confident	194 Å²	194	67.9 Å²	67.9	91%	0.907	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	-3.5	-178	-71.2	-177.7	159.3	0	0	115.4	Q401	Q401-E403 PolarHBondContact O-N 2.92Å
404	A	62.8	Low	78.3	Confident	55 Å²	55	70.1 Å²	70.1	46%	0.455	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-82.5	128.8	-177.2	0	0	0	0	0	112.7	Q401 V406	Q401-A404 PolarHBondContact O-N 3.48Å; Q401-A404 VanDerWaalsContact O-N 3.16Å; A404-V406 PolarHBondContact O-N 3.44Å
405	A	71.2	Confident	78.6	Confident	34 Å²	34	62.1 Å²	62.1	28%	0.281	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-66.2	128.1	173.3	0	0	0	0	0	111	P407 S436	A405-P407 WeakPolarHBondContact O-CD 3.38Å; A405-S436 WeakPolarHBondContact CB-O 3.49Å
406	V	82.8	Confident	78.9	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.024	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-68.7	122.1	176.1	179.1	0	0	0	0	109.3	G396 K397 A404 I408	G396-V406 VanDerWaalsContact C-CG2 3.49Å; K397-V406 HydrophobicContact CB-CG2 4.28Å; K397-V406 HydrophobicContact CG-CG2 3.53Å; A404-V406 PolarHBondContact O-N 3.44Å; V406-I408 PolarHBondContact O-N 3.18Å
407	P	91.3	Very high	79.5	Confident	37 Å²	37	58.5 Å²	58.5	24%	0.24	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.2	175.4	-19.8	32.7	0	0	0	111.2	H351 L352 A405 Y409	H351-P407 WeakPolarHBondContact CA-O 3.22Å; H351-P407 HydrophobicContact CB-CB 4.43Å; L352-P407 PolarHBondContact N-O 3.29Å; A405-P407 WeakPolarHBondContact O-CD 3.38Å; P407-Y409 HydrophobicContact CB-CE2 3.95Å
408	I	94.5	Very high	80.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.2	173.7	-55.4	-176.3	0	0	0	108.7	L352 L354 I393 V406 V410 L437 T438 V439 R440	L352-I408 HydrophobicContact CB-CG1 4.3Å; L352-I408 HydrophobicContact CD2-CD1 4.36Å; L352-I408 HydrophobicContact CD2-CG1 4.39Å; L352-I408 HydrophobicContact CD2-CG2 4.42Å; L352-I408 WeakPolarHBondContact O-CA 3.39Å; L354-I408 HydrophobicContact CB-CG2 4.43Å; I393-I408 HydrophobicContact CD1-CD1 3.91Å; I393-I408 HydrophobicContact CG1-CD1 3.99Å; V406-I408 PolarHBondContact O-N 3.18Å; I408-V410 HydrophobicContact CG2-CG2 4.32Å; I408-L437 HydrophobicContact CD1-CD1 3.89Å; I408-L437 HydrophobicContact CD1-CD2 3.59Å; I408-L437 HydrophobicContact CD1-CG 4.22Å; I408-L437 HydrophobicContact CG1-CD2 4.28Å; I408-T438 PolarHBondContact N-O 2.79Å; I408-V439 HydrophobicContact CB-CG1 4.26Å; I408-V439 HydrophobicContact CB-CG2 4.41Å; I408-V439 HydrophobicContact CG2-CG1 4.29Å; I408-V439 CarbonylContact O-C 3.6Å; I408-V439 VanDerWaalsContact O-CA 3.31Å; I408-V439 WeakPolarHBondContact O-CA 3.35Å; I408-R440 PolarHBondContact O-N 2.94Å
409	Y	97	Very high	81.7	Confident	17 Å²	17	48.2 Å²	48.2	7%	0.067	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.5	171.5	-59.9	-76.9	0	0	0	109.3	I336 Y341 V344 H351 L352 L353 L354 P407 R440	I336-Y409 HydrophobicContact CB-CD1 4.45Å; I336-Y409 HydrophobicContact CB-CE1 4.31Å; I336-Y409 HydrophobicContact CD1-CD1 4.27Å; I336-Y409 HydrophobicContact CD1-CE1 3.56Å; I336-Y409 HydrophobicContact CG2-CD1 3.58Å; I336-Y409 HydrophobicContact CG2-CE1 3.91Å; Y341-Y409 HydrophobicContact CD2-CD1 4.1Å; Y341-Y409 AromaticContact CD2-CD2 3.9Å; Y341-Y409 HydrophobicContact CD2-CD2 3.9Å; Y341-Y409 HydrophobicContact CD2-CE2 4.36Å; Y341-Y409 AromaticContact CD2-CG 3.73Å; Y341-Y409 HydrophobicContact CD2-CG 3.73Å; Y341-Y409 AromaticContact CE2-CD2 3.65Å; Y341-Y409 HydrophobicContact CE2-CD2 3.65Å; Y341-Y409 HydrophobicContact CE2-CE2 4.32Å; Y341-Y409 AromaticContact CE2-CG 3.78Å; Y341-Y409 HydrophobicContact CE2-CG 3.78Å; V344-Y409 HydrophobicContact CG1-CE2 3.94Å; H351-Y409 HydrophobicContact CB-CD2 4.09Å; H351-Y409 HydrophobicContact CB-CE2 3.8Å; H351-Y409 AromaticContact CD2-CD2 3.64Å; H351-Y409 AromaticContact CD2-CE2 3.97Å; H351-Y409 AromaticContact CG-CE2 4Å; L352-Y409 PolarHBondContact O-N 2.87Å; L353-Y409 CarbonylContact C-O 3.6Å; L353-Y409 WeakPolarHBondContact CA-O 3.22Å; L354-Y409 PolarHBondContact N-O 3.48Å; P407-Y409 HydrophobicContact CB-CE2 3.95Å; Y409-R440 CarbonylContact C-O 3.57Å; Y409-R440 VanDerWaalsContact CA-O 3.28Å; Y409-R440 WeakPolarHBondContact CA-O 3.37Å; Y409-R440 HydrophobicContact CD1-CB 4.11Å; Y409-R440 HydrophobicContact CE1-CB 4.32Å
410	V	97.9	Very high	83.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.1	-178	-168.7	0	0	0	0	109.5	L354 V356 I408 S418 A421 V422 L425 V439 R440 D441 V442	L354-V410 CarbonylContact O-C 3.6Å; L354-V410 WeakPolarHBondContact O-CA 3.47Å; V356-V410 HydrophobicContact CB-CG1 4.35Å; V356-V410 HydrophobicContact CG1-CG1 3.51Å; V356-V410 HydrophobicContact CG2-CG1 3.9Å; I408-V410 HydrophobicContact CG2-CG2 4.32Å; V410-S418 WeakPolarHBondContact O-CB 3.33Å; V410-A421 HydrophobicContact CG1-CB 3.76Å; V410-V422 HydrophobicContact CB-CG2 4.18Å; V410-V422 HydrophobicContact CG2-CG2 3.91Å; V410-L425 HydrophobicContact CG2-CD1 3.91Å; V410-V439 HydrophobicContact CG2-CG1 3.73Å; V410-R440 PolarHBondContact N-O 3.39Å; V410-D441 CarbonylContact O-C 3.54Å; V410-D441 WeakPolarHBondContact O-CA 3.49Å; V410-V442 PolarHBondContact O-N 3.49Å
411	I	97.8	Very high	85.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.8	-178.8	-161.5	164.7	0	0	0	110.8	L353 L354 D355 V356 L367 V442 L446	L353-I411 HydrophobicContact CD1-CB 4.02Å; L353-I411 HydrophobicContact CD1-CG2 3.84Å; L353-I411 HydrophobicContact CD2-CG2 4.34Å; L353-I411 HydrophobicContact CG-CG2 4.14Å; L354-I411 PolarHBondContact O-N 3.35Å; D355-I411 WeakPolarHBondContact CA-O 3.47Å; D355-I411 HydrophobicContact CB-CG2 4.18Å; V356-I411 PolarHBondContact N-O 3.02Å; L367-I411 HydrophobicContact CD1-CD1 4.11Å; I411-V442 HydrophobicContact CB-CB 4.33Å; I411-V442 HydrophobicContact CB-CG2 4.29Å; I411-V442 HydrophobicContact CD1-CB 4.26Å; I411-V442 HydrophobicContact CD1-CG1 4.17Å; I411-V442 HydrophobicContact CD1-CG2 4.48Å; I411-V442 HydrophobicContact CG1-CB 4.11Å; I411-V442 HydrophobicContact CG1-CG1 4.48Å; I411-V442 HydrophobicContact CG1-CG2 4.49Å; I411-L446 HydrophobicContact CD1-CD2 3.62Å; I411-L446 HydrophobicContact CD1-CG 3.98Å; I411-L446 HydrophobicContact CG1-CD2 4.3Å; I411-L446 HydrophobicContact CG1-CG 4.16Å
412	C	95.6	Very high	86.9	Confident	3 Å²	3	38 Å²	38	2%	0.02	20%	0.198	C	C	.	.			trans	-136.9	-164.3	167.3	75	0	0	0	0	109.7	V356 R357 G415 N416 D417 S418 G445 L446	V356-C412 HydrophobicContact CG2-CB 3.92Å; R357-C412 HydrophobicContact CG-CB 4.04Å; C412-G415 VanDerWaalsContact SG-CA 3.6Å; C412-G415 PolarHBondContact SG-N 3.32Å; C412-N416 PolarHBondContact SG-N 3.49Å; C412-N416 VanDerWaalsContact SG-N 3.41Å; C412-D417 HydrophobicContact CB-CB 4.21Å; C412-D417 PolarHBondContact SG-N 2.85Å; C412-S418 PolarHBondContact SG-N 3.28Å; C412-G445 CarbonylContact O-C 3.54Å; C412-G445 WeakPolarHBondContact O-CA 3.34Å; C412-L446 PolarHBondContact O-N 2.83Å
413	K	93.2	Very high	88.9	Confident	37 Å²	37	32.1 Å²	32.1	16%	0.161	17%	0.169	C	C	.	.	S	Bend	trans	-59.9	-55.9	-179.7	-170.8	-172.8	177.4	176.7	0	112.5	L446 M447 Y460	K413-L446 PolarHBondContact O-N 2.78Å; K413-L446 VanDerWaalsContact O-N 3.09Å; K413-M447 HydrophobicContact CG-CE 4.41Å; K413-M447 HydrophobicContact CG-CG 4.16Å; K413-M447 WeakPolarHBondContact O-CG 3.32Å; K413-M447 PolarHBondContact O-N 3.48Å; K413-Y460 HydrophobicContact CD-CD2 4.27Å; K413-Y460 HydrophobicContact CD-CE2 3.61Å; K413-Y460 WeakPolarHBondContact CE-O 3.42Å; K413-Y460 HydrophobicContact CG-CE1 4.46Å; K413-Y460 HydrophobicContact CG-CE2 4.08Å; K413-Y460 VanDerWaalsContact NZ-C 3.32Å; K413-Y460 PolarHBondContact NZ-O 3.22Å; K413-Y460 PolarHBondContact NZ-OXT 3.32Å
414	L	90.7	Very high	90.7	Very high	55 Å²	55	24.1 Å²	24.1	29%	0.288	13%	0.134	S	C	.	.	S	Bend	trans	-120.1	2.8	-170	-69.7	170.3	0	0	0	114.7	C324 G444 M447	C324-L414 HydrophobicContact CB-CD1 3.52Å; C324-L414 WeakPolarHBondContact SG-CD1 3.13Å; L414-G444 VanDerWaalsContact C-C 3.49Å; L414-G444 CarbonylContact O-C 3.57Å; L414-G444 WeakPolarHBondContact O-CA 3.28Å; L414-M447 HydrophobicContact CD2-CB 3.91Å; L414-M447 HydrophobicContact CD2-CG 3.64Å; L414-M447 HydrophobicContact CG-CG 4.43Å
415	G	91	Very high	92.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	81.1	17	-176.7	0	0	0	0	0	114.7	C412 S418 Q419	C412-G415 VanDerWaalsContact SG-CA 3.6Å; C412-G415 PolarHBondContact SG-N 3.32Å; G415-S418 VanDerWaalsContact C-OG 3.22Å; G415-S418 WeakPolarHBondContact CA-OG 3.49Å; G415-S418 PolarHBondContact O-OG 3.03Å; G415-Q419 WeakPolarHBondContact O-CG 3.38Å; G415-Q419 PolarHBondContact O-NE2 2.98Å
416	N	89.5	Confident	93	Very high	22 Å²	22	22.7 Å²	22.7	12%	0.118	11%	0.112	C	C	.	.	S	Bend	trans	-91.9	-60.5	177.6	-75.3	-22.9	0	0	0	111.5	R325 L327 C412 S418 Q419	R325-N416 PolarHBondContact O-ND2 3.46Å; R325-N416 PolarHBondContact O-OD1 3.1Å; L327-N416 HydrophobicContact CD1-CB 3.9Å; L327-N416 HydrophobicContact CG-CB 4.18Å; L327-N416 PolarHBondContact N-OD1 3.32Å; C412-N416 PolarHBondContact SG-N 3.49Å; C412-N416 VanDerWaalsContact SG-N 3.41Å; N416-S418 PolarHBondContact O-N 3.01Å; N416-Q419 WeakPolarHBondContact O-CB 3.41Å; N416-Q419 PolarHBondContact O-N 3.44Å; N416-Q419 VanDerWaalsContact O-N 3.1Å
417	D	91.4	Very high	93.3	Very high	56 Å²	56	25.1 Å²	25.1	30%	0.299	13%	0.129	S	C	.	.	H	α-helix	trans	-68	-24	179.7	-69.1	-28.6	0	0	0	113.3	L375 C412 Q419 K420 A421	L375-D417 HydrophobicContact CD2-CB 3.85Å; C412-D417 HydrophobicContact CB-CB 4.21Å; C412-D417 PolarHBondContact SG-N 2.85Å; D417-Q419 VanDerWaalsContact C-N 3.28Å; D417-Q419 PolarHBondContact O-N 3.36Å; D417-K420 PolarHBondContact O-N 3.44Å; D417-K420 IonicContact OD1-NZ 2.72Å; D417-K420 PolarHBondContact OD1-NZ 3.04Å; D417-A421 WeakPolarHBondContact O-CB 3.21Å; D417-A421 PolarHBondContact O-N 3.01Å
418	S	94.9	Very high	93	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.7	-37.2	171	55	0	0	0	0	111.6	V410 C412 G415 N416 A421 V422 D441	V410-S418 WeakPolarHBondContact O-CB 3.33Å; C412-S418 PolarHBondContact SG-N 3.28Å; G415-S418 VanDerWaalsContact C-OG 3.22Å; G415-S418 WeakPolarHBondContact CA-OG 3.49Å; G415-S418 PolarHBondContact O-OG 3.03Å; N416-S418 PolarHBondContact O-N 3.01Å; S418-A421 PolarHBondContact O-N 3.28Å; S418-V422 WeakPolarHBondContact O-CG2 3.38Å; S418-V422 PolarHBondContact O-N 2.77Å; S418-D441 PolarHBondContact OG-OD2 2.88Å
419	Q	94.6	Very high	92.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.7	-41.4	175.8	-67.3	178.5	65.3	0	0	112.3	L327 L329 L330 R335 G415 N416 D417 V422 K423 D441	L327-Q419 PolarHBondContact O-NE2 2.87Å; L327-Q419 PolarHBondContact O-OE1 2.83Å; L329-Q419 HydrophobicContact CB-CB 4.24Å; L329-Q419 HydrophobicContact CD1-CB 4.3Å; L330-Q419 HydrophobicContact CD1-CB 4.06Å; L330-Q419 HydrophobicContact CD1-CG 3.86Å; L330-Q419 HydrophobicContact CG-CB 3.96Å; L330-Q419 HydrophobicContact CG-CG 3.97Å; R335-Q419 VanDerWaalsContact NH2-NE2 3.13Å; G415-Q419 WeakPolarHBondContact O-CG 3.38Å; G415-Q419 PolarHBondContact O-NE2 2.98Å; N416-Q419 WeakPolarHBondContact O-CB 3.41Å; N416-Q419 PolarHBondContact O-N 3.44Å; N416-Q419 VanDerWaalsContact O-N 3.1Å; D417-Q419 VanDerWaalsContact C-N 3.28Å; D417-Q419 PolarHBondContact O-N 3.36Å; Q419-V422 PolarHBondContact O-N 3.23Å; Q419-K423 PolarHBondContact O-N 2.86Å; Q419-D441 HydrophobicContact CG-CB 4.34Å; Q419-D441 WeakPolarHBondContact CG-OD2 3.41Å
420	K	92.8	Very high	91.7	Very high	80 Å²	80	27.8 Å²	27.8	35%	0.348	16%	0.158	S	C	.	.	H	α-helix	trans	-62.1	-45.2	174.7	-62	175.7	-171	156.2	0	110.8	L329 L375 D417 V422 K423 V424	L329-K420 HydrophobicContact CD1-CG 3.81Å; L375-K420 HydrophobicContact CD1-CB 4.29Å; L375-K420 HydrophobicContact CD2-CB 4.07Å; L375-K420 HydrophobicContact CD2-CD 4.07Å; D417-K420 PolarHBondContact O-N 3.44Å; D417-K420 IonicContact OD1-NZ 2.72Å; D417-K420 PolarHBondContact OD1-NZ 3.04Å; K420-V422 VanDerWaalsContact C-N 3.32Å; K420-V422 PolarHBondContact O-N 3.38Å; K420-K423 PolarHBondContact O-N 3.26Å; K420-K423 VanDerWaalsContact O-N 3.12Å; K420-V424 WeakPolarHBondContact O-CG2 3.24Å; K420-V424 PolarHBondContact O-N 3.37Å
421	A	94.8	Very high	90.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-40.8	176.9	0	0	0	0	0	112.3	V356 L375 L378 V410 D417 S418 K423 V424 L425	V356-A421 HydrophobicContact CB-CB 4.24Å; V356-A421 HydrophobicContact CG1-CB 3.79Å; V356-A421 HydrophobicContact CG2-CB 4.04Å; L375-A421 HydrophobicContact CD1-CB 3.86Å; L378-A421 HydrophobicContact CD1-CB 4.15Å; V410-A421 HydrophobicContact CG1-CB 3.76Å; D417-A421 WeakPolarHBondContact O-CB 3.21Å; D417-A421 PolarHBondContact O-N 3.01Å; S418-A421 PolarHBondContact O-N 3.28Å; A421-K423 PolarHBondContact O-N 2.93Å; A421-V424 PolarHBondContact O-N 3.23Å; A421-L425 WeakPolarHBondContact O-CB 3.28Å; A421-L425 VanDerWaalsContact O-CG 3.29Å; A421-L425 WeakPolarHBondContact O-CG 3.41Å; A421-L425 PolarHBondContact O-N 2.85Å
422	V	94.9	Very high	89.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.8	-47.2	173.3	172	0	0	0	0	110.9	L330 V410 S418 Q419 K420 V424 L425 Q426 V439 D441	L330-V422 HydrophobicContact CD1-CB 3.79Å; L330-V422 HydrophobicContact CD1-CG1 3.82Å; L330-V422 HydrophobicContact CD1-CG2 3.89Å; L330-V422 HydrophobicContact CD2-CB 4.11Å; L330-V422 HydrophobicContact CD2-CG1 3.74Å; L330-V422 HydrophobicContact CG-CG1 4.47Å; V410-V422 HydrophobicContact CB-CG2 4.18Å; V410-V422 HydrophobicContact CG2-CG2 3.91Å; S418-V422 WeakPolarHBondContact O-CG2 3.38Å; S418-V422 PolarHBondContact O-N 2.77Å; Q419-V422 PolarHBondContact O-N 3.23Å; K420-V422 VanDerWaalsContact C-N 3.32Å; K420-V422 PolarHBondContact O-N 3.38Å; V422-V424 VanDerWaalsContact C-N 3.34Å; V422-V424 PolarHBondContact O-N 2.95Å; V422-L425 PolarHBondContact O-N 3.4Å; V422-Q426 HydrophobicContact CG1-CG 4.31Å; V422-Q426 WeakPolarHBondContact O-CB 3.35Å; V422-Q426 VanDerWaalsContact O-CG 3.27Å; V422-Q426 WeakPolarHBondContact O-CG 3.28Å; V422-Q426 PolarHBondContact O-N 3Å; V422-V439 HydrophobicContact CB-CG1 4.4Å; V422-V439 HydrophobicContact CG1-CB 4.39Å; V422-V439 HydrophobicContact CG1-CG1 4.27Å; V422-V439 HydrophobicContact CG2-CG1 3.93Å; V422-D441 HydrophobicContact CG2-CB 3.93Å
423	K	94	Very high	88.3	Confident	80 Å²	80	42.1 Å²	42.1	35%	0.348	23%	0.233	S	C	.	.	H	α-helix	trans	-61.7	-39.6	177.2	-69.1	-48.5	-166	-157.9	0	112.7	L329 L330 E334 Q419 K420 A421 Q426 S427	L329-K423 VanDerWaalsContact O-CE 3.25Å; L329-K423 WeakPolarHBondContact O-CE 3.49Å; L330-K423 HydrophobicContact CD2-CD 3.72Å; L330-K423 VanDerWaalsContact CD2-CE 3.48Å; L330-K423 HydrophobicContact CD2-CG 4.07Å; E334-K423 IonicContact OE1-NZ 3.17Å; E334-K423 PolarHBondContact OE1-NZ 2.82Å; E334-K423 IonicContact OE2-NZ 3.6Å; E334-K423 PolarHBondContact OE2-NZ 2.86Å; Q419-K423 PolarHBondContact O-N 2.86Å; K420-K423 PolarHBondContact O-N 3.26Å; K420-K423 VanDerWaalsContact O-N 3.12Å; A421-K423 PolarHBondContact O-N 2.93Å; K423-Q426 VanDerWaalsContact CD-OE1 3.23Å; K423-Q426 PolarHBondContact O-N 2.98Å; K423-S427 PolarHBondContact O-N 2.85Å
424	V	92.4	Very high	87.1	Confident	27 Å²	27	41 Å²	41	16%	0.164	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-48.1	175.1	175.5	0	0	0	0	110.8	L378 E379 K420 A421 V422 Q426 S427 L428	L378-V424 HydrophobicContact CB-CG1 3.99Å; E379-V424 HydrophobicContact CG-CG2 4.12Å; K420-V424 WeakPolarHBondContact O-CG2 3.24Å; K420-V424 PolarHBondContact O-N 3.37Å; A421-V424 PolarHBondContact O-N 3.23Å; V422-V424 VanDerWaalsContact C-N 3.34Å; V422-V424 PolarHBondContact O-N 2.95Å; V424-Q426 VanDerWaalsContact C-N 3.34Å; V424-Q426 PolarHBondContact O-N 3.32Å; V424-S427 WeakPolarHBondContact O-CB 3.37Å; V424-S427 PolarHBondContact O-N 2.9Å; V424-S427 VanDerWaalsContact O-N 3.12Å; V424-S427 PolarHBondContact O-OG 3.28Å; V424-L428 HydrophobicContact CG1-CD1 4.21Å; V424-L428 WeakPolarHBondContact O-CG 3.19Å; V424-L428 PolarHBondContact O-N 3Å
425	L	91.5	Very high	85.9	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-40.2	178.7	-69.8	170.3	0	0	0	112.3	L354 L378 L389 V410 A421 V422 S427 L428 A429 L434 V439	L354-L425 HydrophobicContact CD2-CD1 4.03Å; L378-L425 HydrophobicContact CD2-CD2 4.34Å; L389-L425 HydrophobicContact CD2-CD2 3.62Å; V410-L425 HydrophobicContact CG2-CD1 3.91Å; A421-L425 WeakPolarHBondContact O-CB 3.28Å; A421-L425 VanDerWaalsContact O-CG 3.29Å; A421-L425 WeakPolarHBondContact O-CG 3.41Å; A421-L425 PolarHBondContact O-N 2.85Å; V422-L425 PolarHBondContact O-N 3.4Å; L425-S427 VanDerWaalsContact C-N 3.33Å; L425-S427 PolarHBondContact O-N 3Å; L425-L428 HydrophobicContact CD2-CD1 4.49Å; L425-L428 PolarHBondContact O-N 3.4Å; L425-A429 PolarHBondContact O-N 3.41Å; L425-L434 HydrophobicContact CD2-CD1 4.28Å; L425-V439 HydrophobicContact CB-CG1 4.39Å; L425-V439 HydrophobicContact CB-CG2 4.34Å; L425-V439 HydrophobicContact CD1-CG1 3.77Å
426	Q	90.3	Very high	84.6	Confident	59 Å²	59	47.9 Å²	47.9	28%	0.276	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-41.1	173.2	-73.1	173.1	-14.2	0	0	111.9	E334 V422 K423 V424 L428 A429 A430	E334-Q426 PolarHBondContact OE1-NE2 3.08Å; E334-Q426 PolarHBondContact OE1-OE1 3.29Å; V422-Q426 HydrophobicContact CG1-CG 4.31Å; V422-Q426 WeakPolarHBondContact O-CB 3.35Å; V422-Q426 VanDerWaalsContact O-CG 3.27Å; V422-Q426 WeakPolarHBondContact O-CG 3.28Å; V422-Q426 PolarHBondContact O-N 3Å; K423-Q426 VanDerWaalsContact CD-OE1 3.23Å; K423-Q426 PolarHBondContact O-N 2.98Å; V424-Q426 VanDerWaalsContact C-N 3.34Å; V424-Q426 PolarHBondContact O-N 3.32Å; Q426-L428 VanDerWaalsContact C-N 3.3Å; Q426-L428 PolarHBondContact O-N 2.86Å; Q426-A429 PolarHBondContact O-N 3Å; Q426-A430 WeakPolarHBondContact O-CB 3.49Å; Q426-A430 PolarHBondContact O-N 2.77Å
427	S	88.6	Confident	83.8	Confident	55 Å²	55	48.4 Å²	48.4	39%	0.385	28%	0.276	S	S	.	.	H	α-helix	trans	-65.1	-34.2	176.4	80.4	0	0	0	0	112.8	K423 V424 L425 A431	K423-S427 PolarHBondContact O-N 2.85Å; V424-S427 WeakPolarHBondContact O-CB 3.37Å; V424-S427 PolarHBondContact O-N 2.9Å; V424-S427 VanDerWaalsContact O-N 3.12Å; V424-S427 PolarHBondContact O-OG 3.28Å; L425-S427 VanDerWaalsContact C-N 3.33Å; L425-S427 PolarHBondContact O-N 3Å; S427-A431 WeakPolarHBondContact O-CB 3.46Å; S427-A431 PolarHBondContact O-N 3.25Å; S427-A431 VanDerWaalsContact O-N 3.11Å
428	L	86.1	Confident	83.6	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-71.6	-40	176.2	-69	170.7	0	0	0	111.8	R381 L386 V424 L425 Q426 A431 Q432 E433 L434	R381-L428 HydrophobicContact CG-CD2 4.1Å; L386-L428 HydrophobicContact CD2-CD1 3.87Å; V424-L428 HydrophobicContact CG1-CD1 4.21Å; V424-L428 WeakPolarHBondContact O-CG 3.19Å; V424-L428 PolarHBondContact O-N 3Å; L425-L428 HydrophobicContact CD2-CD1 4.49Å; L425-L428 PolarHBondContact O-N 3.4Å; Q426-L428 VanDerWaalsContact C-N 3.3Å; Q426-L428 PolarHBondContact O-N 2.86Å; L428-A431 PolarHBondContact O-N 3.24Å; L428-Q432 PolarHBondContact O-N 3.37Å; L428-E433 VanDerWaalsContact CD2-OE2 3.25Å; L428-E433 WeakPolarHBondContact CD2-OE2 3.34Å; L428-E433 PolarHBondContact O-N 2.87Å; L428-L434 HydrophobicContact CB-CD1 3.67Å; L428-L434 HydrophobicContact CB-CG 4.47Å; L428-L434 HydrophobicContact CD1-CD1 4.15Å
429	A	84	Confident	83.5	Confident	25 Å²	25	49.6 Å²	49.6	21%	0.207	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-42.2	173.4	0	0	0	0	0	111.8	L425 Q426 A431 Q432	L425-A429 PolarHBondContact O-N 3.41Å; Q426-A429 PolarHBondContact O-N 3Å; A429-A431 PolarHBondContact O-N 3.13Å; A429-Q432 PolarHBondContact O-N 3.39Å
430	A	80.3	Confident	83.6	Confident	85 Å²	85	53.9 Å²	53.9	70%	0.702	30%	0.302	S	S	*	.	H	α-helix	trans	-63.1	-30.9	175.3	0	0	0	0	0	112.9	Q426 Q432	Q426-A430 WeakPolarHBondContact O-CB 3.49Å; Q426-A430 PolarHBondContact O-N 2.77Å; A430-Q432 PolarHBondContact O-N 3.41Å
431	A	77.8	Confident	83.8	Confident	51 Å²	51	50.1 Å²	50.1	42%	0.421	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	4.8	174.3	0	0	0	0	0	113.9	S427 L428 A429 E433	S427-A431 WeakPolarHBondContact O-CB 3.46Å; S427-A431 PolarHBondContact O-N 3.25Å; S427-A431 VanDerWaalsContact O-N 3.11Å; L428-A431 PolarHBondContact O-N 3.24Å; A429-A431 PolarHBondContact O-N 3.13Å; A431-E433 HydrophobicContact CB-CG 4.17Å; A431-E433 PolarHBondContact O-N 2.95Å
432	Q	74.9	Confident	83.9	Confident	181 Å²	181	50.1 Å²	50.1	85%	0.846	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	20.4	-174.2	-56.5	177.5	-2.8	0	0	113.7	L428 A429 A430 L434	L428-Q432 PolarHBondContact O-N 3.37Å; A429-Q432 PolarHBondContact O-N 3.39Å; A430-Q432 PolarHBondContact O-N 3.41Å; Q432-L434 VanDerWaalsContact C-N 3.31Å
433	E	66.9	Low	83.9	Confident	72 Å²	72	52.9 Å²	52.9	34%	0.336	30%	0.302	S	S	.	.	S	Bend	trans	-81.6	-17.7	175.4	-68.8	-179.5	-157.1	0	0	112	R381 K390 L428 A431	R381-E433 IonicContact CZ-OE1 3.58Å; R381-E433 VanDerWaalsContact NH1-CD 3.26Å; R381-E433 IonicContact NH1-OE1 2.73Å; R381-E433 PolarHBondContact NH1-OE1 3.3Å; R381-E433 IonicContact NH1-OE2 2.82Å; R381-E433 PolarHBondContact NH1-OE2 3.16Å; K390-E433 WeakPolarHBondContact CE-O 3.48Å; K390-E433 PolarHBondContact NZ-O 3.45Å; L428-E433 VanDerWaalsContact CD2-OE2 3.25Å; L428-E433 WeakPolarHBondContact CD2-OE2 3.34Å; L428-E433 PolarHBondContact O-N 2.87Å; A431-E433 HydrophobicContact CB-CG 4.17Å; A431-E433 PolarHBondContact O-N 2.95Å
434	L	67.6	Low	83.7	Confident	14 Å²	14	50.1 Å²	50.1	7%	0.073	30%	0.297	C	S	.	.	S	Bend	trans	-134.1	149.3	174.1	-71.8	160.3	0	0	0	108.7	L389 K390 I393 L425 L428 Q432 L437	L389-L434 HydrophobicContact CD2-CD1 4.26Å; L389-L434 HydrophobicContact CD2-CD2 4.4Å; K390-L434 HydrophobicContact CG-CD2 3.93Å; I393-L434 HydrophobicContact CD1-CD2 3.77Å; L425-L434 HydrophobicContact CD2-CD1 4.28Å; L428-L434 HydrophobicContact CB-CD1 3.67Å; L428-L434 HydrophobicContact CB-CG 4.47Å; L428-L434 HydrophobicContact CD1-CD1 4.15Å; Q432-L434 VanDerWaalsContact C-N 3.31Å; L434-L437 HydrophobicContact CB-CD1 3.88Å; L434-L437 HydrophobicContact CD1-CD1 3.89Å; L434-L437 HydrophobicContact CG-CD1 4.31Å
435	D	66.4	Low	83.9	Confident	97 Å²	97	48.9 Å²	48.9	52%	0.519	29%	0.289	S	S	.	.			trans	-60.6	173.8	174.2	-65.2	-30.2	0	0	0	111.8	K397 L437	K397-D435 IonicContact NZ-OD2 3.89Å; K397-D435 PolarHBondContact NZ-OD2 3.48Å; D435-L437 WeakPolarHBondContact O-CG 3.43Å; D435-L437 PolarHBondContact O-N 2.81Å
436	S	63.6	Low	84.1	Confident	101 Å²	101	48.9 Å²	48.9	71%	0.706	29%	0.289	S	S	*	.	S	Bend	trans	-59.7	118.6	175.4	77.8	0	0	0	0	110.5	A405	A405-S436 WeakPolarHBondContact CB-O 3.49Å
437	L	72.6	Confident	84.2	Confident	33 Å²	33	47.3 Å²	47.3	17%	0.173	28%	0.282	C	S	.	.			trans	-111.6	134.8	-176.2	-68.1	173.6	0	0	0	111.2	I393 I408 L434 D435 V439	I393-L437 HydrophobicContact CD1-CD1 4.49Å; I393-L437 HydrophobicContact CD1-CD2 4.08Å; I408-L437 HydrophobicContact CD1-CD1 3.89Å; I408-L437 HydrophobicContact CD1-CD2 3.59Å; I408-L437 HydrophobicContact CD1-CG 4.22Å; I408-L437 HydrophobicContact CG1-CD2 4.28Å; L434-L437 HydrophobicContact CB-CD1 3.88Å; L434-L437 HydrophobicContact CD1-CD1 3.89Å; L434-L437 HydrophobicContact CG-CD1 4.31Å; D435-L437 WeakPolarHBondContact O-CG 3.43Å; D435-L437 PolarHBondContact O-N 2.81Å; L437-V439 HydrophobicContact CB-CG2 3.52Å; L437-V439 HydrophobicContact CD1-CG2 4.24Å; L437-V439 HydrophobicContact CG-CG2 4.48Å
438	T	86.9	Confident	84.5	Confident	69 Å²	69	45.5 Å²	45.5	42%	0.423	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	102.6	161.3	-58.9	0	0	0	0	107.5	I408	I408-T438 PolarHBondContact N-O 2.79Å
439	V	93.1	Very high	85	Confident	12 Å²	12	46.1 Å²	46.1	7%	0.073	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.1	-176.7	-163.8	0	0	0	0	110	I408 V410 V422 L425 L437	I408-V439 HydrophobicContact CB-CG1 4.26Å; I408-V439 HydrophobicContact CB-CG2 4.41Å; I408-V439 HydrophobicContact CG2-CG1 4.29Å; I408-V439 CarbonylContact O-C 3.6Å; I408-V439 VanDerWaalsContact O-CA 3.31Å; I408-V439 WeakPolarHBondContact O-CA 3.35Å; V410-V439 HydrophobicContact CG2-CG1 3.73Å; V422-V439 HydrophobicContact CB-CG1 4.4Å; V422-V439 HydrophobicContact CG1-CB 4.39Å; V422-V439 HydrophobicContact CG1-CG1 4.27Å; V422-V439 HydrophobicContact CG2-CG1 3.93Å; L425-V439 HydrophobicContact CB-CG1 4.39Å; L425-V439 HydrophobicContact CB-CG2 4.34Å; L425-V439 HydrophobicContact CD1-CG1 3.77Å; L437-V439 HydrophobicContact CB-CG2 3.52Å; L437-V439 HydrophobicContact CD1-CG2 4.24Å; L437-V439 HydrophobicContact CG-CG2 4.48Å
440	R	96.1	Very high	85.6	Confident	91 Å²	91	45 Å²	45	34%	0.343	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.7	175.3	-66.2	-177.5	174.1	151	3.1	111.9	E333 E334 I336 I408 Y409 V410	E333-R440 PolarHBondContact O-NE 2.69Å; E334-R440 CarbonylContact O-C 3.3Å; E334-R440 WeakPolarHBondContact O-CA 3.29Å; I336-R440 HydrophobicContact CG2-CB 4.46Å; I408-R440 PolarHBondContact O-N 2.94Å; Y409-R440 CarbonylContact C-O 3.57Å; Y409-R440 VanDerWaalsContact CA-O 3.28Å; Y409-R440 WeakPolarHBondContact CA-O 3.37Å; Y409-R440 HydrophobicContact CD1-CB 4.11Å; Y409-R440 HydrophobicContact CE1-CB 4.32Å; V410-R440 PolarHBondContact N-O 3.39Å
441	D	97.2	Very high	86.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	150.9	169.9	97.2	-58.1	0	0	0	111.9	L330 E334 R335 I336 V410 S418 Q419 V422	L330-D441 HydrophobicContact CD1-CB 3.92Å; E334-D441 PolarHBondContact O-N 3.11Å; R335-D441 CarbonylContact C-O 3.47Å; R335-D441 VanDerWaalsContact CB-OD1 3.24Å; R335-D441 WeakPolarHBondContact CB-OD1 3.45Å; R335-D441 WeakPolarHBondContact CD-OD1 3.35Å; R335-D441 WeakPolarHBondContact CG-OD1 3.23Å; R335-D441 IonicContact CZ-OD1 3.91Å; R335-D441 IonicContact CZ-OD2 2.66Å; R335-D441 IonicContact NE-OD1 3.31Å; R335-D441 PolarHBondContact NE-OD1 2.94Å; R335-D441 IonicContact NE-OD2 2.67Å; R335-D441 IonicContact NH2-OD1 3Å; R335-D441 IonicContact NH2-OD2 2.66Å; R335-D441 PolarHBondContact NH2-OD2 2.97Å; I336-D441 WeakPolarHBondContact CG2-O 3.24Å; I336-D441 PolarHBondContact N-O 2.74Å; V410-D441 CarbonylContact O-C 3.54Å; V410-D441 WeakPolarHBondContact O-CA 3.49Å; S418-D441 PolarHBondContact OG-OD2 2.88Å; Q419-D441 HydrophobicContact CG-CB 4.34Å; Q419-D441 WeakPolarHBondContact CG-OD2 3.41Å; V422-D441 HydrophobicContact CG2-CB 3.93Å
442	V	96.9	Very high	87.1	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	112.7	172.1	-178	0	0	0	0	109.5	I336 V338 Y341 L353 V410 I411 G444 G445	I336-V442 HydrophobicContact CG2-CG2 4.09Å; I336-V442 WeakPolarHBondContact O-CA 3.35Å; V338-V442 HydrophobicContact CB-CG1 4.44Å; V338-V442 HydrophobicContact CG1-CG1 3.49Å; V338-V442 VanDerWaalsContact CG1-CG1 3.49Å; Y341-V442 HydrophobicContact CD1-CG2 4.45Å; Y341-V442 HydrophobicContact CG-CG2 4.22Å; L353-V442 HydrophobicContact CD1-CG2 4.42Å; V410-V442 PolarHBondContact O-N 3.49Å; I411-V442 HydrophobicContact CB-CB 4.33Å; I411-V442 HydrophobicContact CB-CG2 4.29Å; I411-V442 HydrophobicContact CD1-CB 4.26Å; I411-V442 HydrophobicContact CD1-CG1 4.17Å; I411-V442 HydrophobicContact CD1-CG2 4.48Å; I411-V442 HydrophobicContact CG1-CB 4.11Å; I411-V442 HydrophobicContact CG1-CG1 4.48Å; I411-V442 HydrophobicContact CG1-CG2 4.49Å; V442-G444 PolarHBondContact O-N 2.61Å; V442-G445 PolarHBondContact O-N 2.81Å
443	V	95.1	Very high	88.2	Confident	58 Å²	58	42.7 Å²	42.7	35%	0.352	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	123.9	-175.9	179.8	0	0	0	0	111	R335 I336 G445	R335-V443 HydrophobicContact CB-CG2 3.74Å; I336-V443 WeakPolarHBondContact O-CG2 3.5Å; I336-V443 PolarHBondContact O-N 3.07Å; V443-G445 PolarHBondContact O-N 2.74Å
444	G	90.4	Very high	89.5	Confident	23 Å²	23	41.8 Å²	41.8	24%	0.237	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-1.1	179.6	0	0	0	0	0	114.5	L414 V442 A448	L414-G444 VanDerWaalsContact C-C 3.49Å; L414-G444 CarbonylContact O-C 3.57Å; L414-G444 WeakPolarHBondContact O-CA 3.28Å; V442-G444 PolarHBondContact O-N 2.61Å; G444-A448 WeakPolarHBondContact O-CB 3.47Å; G444-A448 PolarHBondContact O-N 2.84Å; G444-A448 VanDerWaalsContact O-N 3.11Å
445	G	95.2	Very high	90.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	59.7	-148.8	172.1	0	0	0	0	0	114.7	C412 V442 V443 M447 A448 W449	C412-G445 CarbonylContact O-C 3.54Å; C412-G445 WeakPolarHBondContact O-CA 3.34Å; V442-G445 PolarHBondContact O-N 2.81Å; V443-G445 PolarHBondContact O-N 2.74Å; G445-M447 VanDerWaalsContact C-N 3.32Å; G445-M447 PolarHBondContact O-N 3.22Å; G445-A448 PolarHBondContact O-N 3.48Å; G445-W449 PolarHBondContact O-N 2.91Å; G445-W449 VanDerWaalsContact O-N 3.12Å
446	L	95.9	Very high	92	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-28.5	179	-69.7	172.6	0	0	0	113.5	R357 L367 I411 C412 K413 A448 W449 A450 F457	R357-L446 VanDerWaalsContact NE-CD1 3.3Å; R357-L446 VanDerWaalsContact NH1-CD1 3.31Å; R357-L446 VanDerWaalsContact NH2-CD1 3.34Å; L367-L446 HydrophobicContact CD1-CD2 3.8Å; L367-L446 HydrophobicContact CG-CD2 3.8Å; I411-L446 HydrophobicContact CD1-CD2 3.62Å; I411-L446 HydrophobicContact CD1-CG 3.98Å; I411-L446 HydrophobicContact CG1-CD2 4.3Å; I411-L446 HydrophobicContact CG1-CG 4.16Å; C412-L446 PolarHBondContact O-N 2.83Å; K413-L446 PolarHBondContact O-N 2.78Å; K413-L446 VanDerWaalsContact O-N 3.09Å; L446-A448 VanDerWaalsContact C-N 3.35Å; L446-W449 WeakPolarHBondContact O-CB 3.2Å; L446-W449 PolarHBondContact O-N 3.38Å; L446-A450 WeakPolarHBondContact O-CB 3.36Å; L446-A450 PolarHBondContact O-N 3.42Å; L446-F457 HydrophobicContact CB-CE1 4.04Å; L446-F457 HydrophobicContact CD1-CE1 4.33Å; L446-F457 HydrophobicContact CD1-CZ 4.22Å; L446-F457 HydrophobicContact CD2-CE1 4.12Å; L446-F457 HydrophobicContact CD2-CZ 3.85Å; L446-F457 HydrophobicContact CG-CE1 4.4Å; L446-F457 HydrophobicContact CG-CZ 4.45Å
447	M	93.4	Very high	93.4	Very high	27 Å²	27	41.7 Å²	41.7	13%	0.133	25%	0.25	C	S	.	.	H	α-helix	trans	-67.9	-38.5	176.1	-63.8	-57.8	99.6	0	0	111.2	K413 L414 G445 W449 A450 A451 Q459 Y460	K413-M447 HydrophobicContact CG-CE 4.41Å; K413-M447 HydrophobicContact CG-CG 4.16Å; K413-M447 WeakPolarHBondContact O-CG 3.32Å; K413-M447 PolarHBondContact O-N 3.48Å; L414-M447 HydrophobicContact CD2-CB 3.91Å; L414-M447 HydrophobicContact CD2-CG 3.64Å; L414-M447 HydrophobicContact CG-CG 4.43Å; G445-M447 VanDerWaalsContact C-N 3.32Å; G445-M447 PolarHBondContact O-N 3.22Å; M447-W449 VanDerWaalsContact C-N 3.34Å; M447-A450 PolarHBondContact O-N 3.04Å; M447-A451 WeakPolarHBondContact O-CB 3.38Å; M447-A451 PolarHBondContact O-N 3.42Å; M447-Q459 HydrophobicContact SD-CB 4.16Å; M447-Q459 HydrophobicContact SD-CG 4.4Å; M447-Y460 HydrophobicContact CE-CD1 3.83Å; M447-Y460 HydrophobicContact CE-CE1 3.77Å
448	A	94.4	Very high	94.4	Very high	16 Å²	16	43.3 Å²	43.3	13%	0.132	26%	0.263	C	S	.	.	H	α-helix	trans	-68.3	-34	171.6	0	0	0	0	0	112.4	V338 G444 G445 L446 A451 K452	V338-A448 HydrophobicContact CG1-CB 3.73Å; V338-A448 HydrophobicContact CG2-CB 4.11Å; G444-A448 WeakPolarHBondContact O-CB 3.47Å; G444-A448 PolarHBondContact O-N 2.84Å; G444-A448 VanDerWaalsContact O-N 3.11Å; G445-A448 PolarHBondContact O-N 3.48Å; L446-A448 VanDerWaalsContact C-N 3.35Å; A448-A451 PolarHBondContact O-N 3.5Å; A448-K452 WeakPolarHBondContact O-CB 3.28Å; A448-K452 PolarHBondContact O-N 2.89Å
449	W	96.6	Very high	94.5	Very high	13 Å²	13	46.1 Å²	46.1	5%	0.049	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-49.5	173.2	178.9	-85.6	0	0	0	111.2	V338 Y341 K342 L345 L367 G445 L446 M447 A451 K452 I453 D454	V338-W449 HydrophobicContact CG1-CB 4.45Å; Y341-W449 HydrophobicContact CD1-CE3 4.42Å; Y341-W449 AromaticContact CD1-CZ3 3.86Å; Y341-W449 HydrophobicContact CD1-CZ3 3.86Å; Y341-W449 HydrophobicContact CE1-CZ3 4.09Å; K342-W449 HydrophobicContact CB-CZ3 4.26Å; K342-W449 HydrophobicContact CD-CH2 3.67Å; K342-W449 HydrophobicContact CD-CZ2 4.44Å; K342-W449 HydrophobicContact CD-CZ3 4.16Å; L345-W449 HydrophobicContact CD2-CH2 3.84Å; L367-W449 HydrophobicContact CD1-CD2 4.4Å; L367-W449 HydrophobicContact CD2-CD2 4.33Å; L367-W449 HydrophobicContact CD2-CZ2 3.97Å; G445-W449 PolarHBondContact O-N 2.91Å; G445-W449 VanDerWaalsContact O-N 3.12Å; L446-W449 WeakPolarHBondContact O-CB 3.2Å; L446-W449 PolarHBondContact O-N 3.38Å; M447-W449 VanDerWaalsContact C-N 3.34Å; W449-A451 VanDerWaalsContact C-N 3.31Å; W449-A451 PolarHBondContact O-N 3.17Å; W449-K452 PolarHBondContact O-N 3.42Å; W449-I453 HydrophobicContact CD2-CB 3.88Å; W449-I453 HydrophobicContact CD2-CG1 4.14Å; W449-I453 HydrophobicContact CD2-CG2 4.02Å; W449-I453 HydrophobicContact CE3-CB 4.08Å; W449-I453 HydrophobicContact CE3-CG1 3.88Å; W449-I453 HydrophobicContact CE3-CG2 4.1Å; W449-I453 HydrophobicContact CG-CB 4.28Å; W449-I453 HydrophobicContact CH2-CG2 3.83Å; W449-I453 HydrophobicContact CZ2-CB 4.45Å; W449-I453 HydrophobicContact CZ2-CG2 3.69Å; W449-I453 HydrophobicContact CZ3-CB 4.46Å; W449-I453 HydrophobicContact CZ3-CG1 4.31Å; W449-I453 HydrophobicContact CZ3-CG2 4Å; W449-I453 WeakPolarHBondContact O-CA 3.22Å; W449-I453 WeakPolarHBondContact O-CB 3.36Å; W449-I453 PolarHBondContact O-N 3.36Å; W449-D454 PolarHBondContact O-N 2.86Å
450	A	95.6	Very high	94.1	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-41.8	178.2	0	0	0	0	0	112.2	L446 M447 D454 G455 F457 Q459	L446-A450 WeakPolarHBondContact O-CB 3.36Å; L446-A450 PolarHBondContact O-N 3.42Å; M447-A450 PolarHBondContact O-N 3.04Å; A450-D454 CarbonylContact C-O 3.59Å; A450-D454 VanDerWaalsContact CA-O 3.3Å; A450-D454 WeakPolarHBondContact CA-O 3.08Å; A450-D454 CarbonylContact O-C 3.27Å; A450-D454 VanDerWaalsContact O-C 3.27Å; A450-G455 WeakPolarHBondContact O-CA 3.5Å; A450-G455 PolarHBondContact O-N 2.71Å; A450-F457 HydrophobicContact CB-CB 3.98Å; A450-F457 HydrophobicContact CB-CD1 4.04Å; A450-F457 HydrophobicContact CB-CG 4.46Å; A450-Q459 HydrophobicContact CB-CG 3.58Å
451	A	94.2	Very high	94	Very high	73 Å²	73	47.3 Å²	47.3	60%	0.603	28%	0.28	S	S	*	.	H	α-helix	trans	-72.3	-33	-178.5	0	0	0	0	0	114	M447 A448 W449	M447-A451 WeakPolarHBondContact O-CB 3.38Å; M447-A451 PolarHBondContact O-N 3.42Å; A448-A451 PolarHBondContact O-N 3.5Å; W449-A451 VanDerWaalsContact C-N 3.31Å; W449-A451 PolarHBondContact O-N 3.17Å
452	K	96.4	Very high	93.8	Very high	148 Å²	148	49.8 Å²	49.8	64%	0.643	29%	0.294	S	S	*	.	H	α-helix	trans	-114.5	-23.8	-168.3	-62.8	-176.7	178.5	-179.6	0	115.2	V338 A448 W449	V338-K452 HydrophobicContact CG2-CB 4.08Å; V338-K452 HydrophobicContact CG2-CD 3.81Å; V338-K452 HydrophobicContact CG2-CG 4.46Å; A448-K452 WeakPolarHBondContact O-CB 3.28Å; A448-K452 PolarHBondContact O-N 2.89Å; W449-K452 PolarHBondContact O-N 3.42Å
453	I	96.6	Very high	93.6	Very high	48 Å²	48	52.6 Å²	52.6	25%	0.246	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-50.4	-171.1	-52.9	-58.4	0	0	0	111.1	V338 T339 K342 W449	V338-I453 HydrophobicContact CB-CG1 4.2Å; V338-I453 HydrophobicContact CG2-CG1 4.35Å; T339-I453 HydrophobicContact CG2-CD1 3.91Å; K342-I453 HydrophobicContact CB-CD1 3.9Å; K342-I453 HydrophobicContact CB-CG1 4.45Å; K342-I453 HydrophobicContact CB-CG2 4.33Å; K342-I453 HydrophobicContact CD-CG2 3.71Å; K342-I453 HydrophobicContact CG-CD1 4.23Å; K342-I453 HydrophobicContact CG-CG2 3.88Å; W449-I453 HydrophobicContact CD2-CB 3.88Å; W449-I453 HydrophobicContact CD2-CG1 4.14Å; W449-I453 HydrophobicContact CD2-CG2 4.02Å; W449-I453 HydrophobicContact CE3-CB 4.08Å; W449-I453 HydrophobicContact CE3-CG1 3.88Å; W449-I453 HydrophobicContact CE3-CG2 4.1Å; W449-I453 HydrophobicContact CG-CB 4.28Å; W449-I453 HydrophobicContact CH2-CG2 3.83Å; W449-I453 HydrophobicContact CZ2-CB 4.45Å; W449-I453 HydrophobicContact CZ2-CG2 3.69Å; W449-I453 HydrophobicContact CZ3-CB 4.46Å; W449-I453 HydrophobicContact CZ3-CG1 4.31Å; W449-I453 HydrophobicContact CZ3-CG2 4Å; W449-I453 WeakPolarHBondContact O-CA 3.22Å; W449-I453 WeakPolarHBondContact O-CB 3.36Å; W449-I453 PolarHBondContact O-N 3.36Å
454	D	94.6	Very high	93.6	Very high	53 Å²	53	52.2 Å²	52.2	28%	0.283	31%	0.308	S	S	.	.			trans	-134.9	93.3	-175.8	179.6	6	0	0	0	110.7	W449 A450 T456 F457	W449-D454 PolarHBondContact O-N 2.86Å; A450-D454 CarbonylContact C-O 3.59Å; A450-D454 VanDerWaalsContact CA-O 3.3Å; A450-D454 WeakPolarHBondContact CA-O 3.08Å; A450-D454 CarbonylContact O-C 3.27Å; A450-D454 VanDerWaalsContact O-C 3.27Å; D454-T456 PolarHBondContact O-N 2.77Å; D454-T456 VanDerWaalsContact O-N 3.07Å; D454-T456 WeakPolarHBondContact OD1-CA 3.48Å; D454-T456 WeakPolarHBondContact OD1-CB 3.33Å; D454-T456 PolarHBondContact OD1-N 2.89Å; D454-T456 PolarHBondContact OD1-OG1 3.19Å; D454-F457 HydrophobicContact CB-CB 4.11Å; D454-F457 VanDerWaalsContact O-CB 3.24Å; D454-F457 WeakPolarHBondContact O-CB 3.11Å; D454-F457 PolarHBondContact O-N 3.38Å; D454-F457 PolarHBondContact OD1-N 3.4Å
455	G	92.1	Very high	93.7	Very high	70 Å²	70	54.1 Å²	54.1	72%	0.722	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-10.3	178	0	0	0	0	0	114.5	A450	A450-G455 WeakPolarHBondContact O-CA 3.5Å; A450-G455 PolarHBondContact O-N 2.71Å
456	T	94.5	Very high	93.6	Very high	125 Å²	125	57.7 Å²	57.7	77%	0.767	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-12.4	174.2	73.5	0	0	0	0	112.7	D454	D454-T456 PolarHBondContact O-N 2.77Å; D454-T456 VanDerWaalsContact O-N 3.07Å; D454-T456 WeakPolarHBondContact OD1-CA 3.48Å; D454-T456 WeakPolarHBondContact OD1-CB 3.33Å; D454-T456 PolarHBondContact OD1-N 2.89Å; D454-T456 PolarHBondContact OD1-OG1 3.19Å
457	F	94.5	Very high	93.5	Very high	16 Å²	16	61.8 Å²	61.8	7%	0.07	36%	0.357	C	S	.	.	S	Bend	trans	-66.2	131.1	177.4	-166.1	-87.8	0	0	0	110.4	C365 L367 L446 A450 D454 Q459	C365-F457 HydrophobicContact CB-CE1 4.07Å; C365-F457 HydrophobicContact CB-CE2 4.42Å; C365-F457 HydrophobicContact CB-CZ 3.8Å; C365-F457 VanDerWaalsContact SG-CE1 3.51Å; L367-F457 HydrophobicContact CD2-CD2 4.27Å; L367-F457 HydrophobicContact CD2-CE2 3.86Å; L367-F457 HydrophobicContact CG-CE2 4.41Å; L446-F457 HydrophobicContact CB-CE1 4.04Å; L446-F457 HydrophobicContact CD1-CE1 4.33Å; L446-F457 HydrophobicContact CD1-CZ 4.22Å; L446-F457 HydrophobicContact CD2-CE1 4.12Å; L446-F457 HydrophobicContact CD2-CZ 3.85Å; L446-F457 HydrophobicContact CG-CE1 4.4Å; L446-F457 HydrophobicContact CG-CZ 4.45Å; A450-F457 HydrophobicContact CB-CB 3.98Å; A450-F457 HydrophobicContact CB-CD1 4.04Å; A450-F457 HydrophobicContact CB-CG 4.46Å; D454-F457 HydrophobicContact CB-CB 4.11Å; D454-F457 VanDerWaalsContact O-CB 3.24Å; D454-F457 WeakPolarHBondContact O-CB 3.11Å; D454-F457 PolarHBondContact O-N 3.38Å; D454-F457 PolarHBondContact OD1-N 3.4Å; F457-Q459 PolarHBondContact O-N 2.85Å
458	P	91.9	Very high	93.5	Very high	67 Å²	67	64.5 Å²	64.5	44%	0.435	38%	0.375	S	S	.	.			trans	-58.7	134.4	-177.6	-26.6	35.6	0	0	0	113.6	C365	C365-P458 HydrophobicContact CB-CB 4.12Å; C365-P458 HydrophobicContact CB-CG 3.93Å
459	Q	88.8	Confident	93.4	Very high	127 Å²	127	68.5 Å²	68.5	59%	0.593	40%	0.395	S	S	*	.			trans	-107.6	137.6	172	-62.1	-179.6	32.5	0	0	109.4	M447 A450 F457	M447-Q459 HydrophobicContact SD-CB 4.16Å; M447-Q459 HydrophobicContact SD-CG 4.4Å; A450-Q459 HydrophobicContact CB-CG 3.58Å; F457-Q459 PolarHBondContact O-N 2.85Å
460	Y	85.1	Confident	93.1	Very high	81 Å²	81	73.5 Å²	73.5	32%	0.318	43%	0.426	S	S	.	.			trans	-150	0	-174.8	68.4	-85.4	0	0	0	112.9	R357 E361 I364 K413 M447	R357-Y460 PolarHBondContact NH1-OH 2.73Å; E361-Y460 HydrophobicContact CG-CE2 4.05Å; E361-Y460 PolarHBondContact OE2-OH 3.22Å; I364-Y460 HydrophobicContact CD1-CD2 3.91Å; I364-Y460 HydrophobicContact CD1-CE2 4.04Å; I364-Y460 HydrophobicContact CD1-CG 4.26Å; I364-Y460 HydrophobicContact CG2-CD1 4.09Å; I364-Y460 HydrophobicContact CG2-CE1 4.5Å; I364-Y460 HydrophobicContact CG2-CG 4.36Å; K413-Y460 HydrophobicContact CD-CD2 4.27Å; K413-Y460 HydrophobicContact CD-CE2 3.61Å; K413-Y460 WeakPolarHBondContact CE-O 3.42Å; K413-Y460 HydrophobicContact CG-CE1 4.46Å; K413-Y460 HydrophobicContact CG-CE2 4.08Å; K413-Y460 VanDerWaalsContact NZ-C 3.32Å; K413-Y460 PolarHBondContact NZ-O 3.22Å; K413-Y460 PolarHBondContact NZ-OXT 3.32Å; M447-Y460 HydrophobicContact CE-CD1 3.83Å; M447-Y460 HydrophobicContact CE-CE1 3.77Å

Retrieved 460 of 460 residues in 2572.3 ms (Link to these results)

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