A0A087XIL8_POEFO Loading...

Olfactomedin-like 2A

AlphaFold DB , UniProt , Accession A0A087XIL8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 649 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	47.5	Very low	47.9	Very low	214 Å²	214	126.9 Å²	126.9	100%	1.054	63%	0.632	S	S	*	*				0	-62.1	0	-71.6	-173.7	-89.6	0	0	113.1	R3 L4	M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 2.57Å; M1-L4 WeakPolarHBondContact O-CB 3.2Å; M1-L4 PolarHBondContact O-N 3.45Å
2	W	40	Very low	47.6	Very low	215 Å²	215	125.4 Å²	125.4	81%	0.814	63%	0.627	S	S	*	*	H	α-helix	trans	-50.5	-32.6	-169	-149.8	-7.6	0	0	0	117.7	T5 N6	W2-T5 PolarHBondContact O-OG1 3.11Å; W2-N6 PolarHBondContact O-OD1 2.81Å
3	R	48	Very low	47.5	Very low	226 Å²	226	122 Å²	122	85%	0.853	62%	0.617	S	S	*	*	H	α-helix	trans	-70.7	-30.5	174.9	-71.6	-169.7	177.8	-164.3	-0.7	113.6	M1 L7	M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 2.57Å; R3-L7 PolarHBondContact O-N 3.09Å
4	L	46.8	Very low	47.2	Very low	128 Å²	128	121.7 Å²	121.7	67%	0.67	62%	0.617	S	S	*	*	H	α-helix	trans	-73.5	-38.4	-178.4	-148.4	78.8	0	0	0	111.4	M1 N6 L7 L8	M1-L4 WeakPolarHBondContact O-CB 3.2Å; M1-L4 PolarHBondContact O-N 3.45Å; L4-N6 VanDerWaalsContact C-N 3.33Å; L4-N6 PolarHBondContact O-N 3.37Å; L4-L7 PolarHBondContact O-N 2.88Å; L4-L8 PolarHBondContact O-N 2.91Å
5	T	51.4	Low	46.7	Very low	79 Å²	79	119 Å²	119	49%	0.485	61%	0.612	S	S	.	*	H	α-helix	trans	-64.9	-36.6	176.3	48.3	0	0	0	0	112.2	W2 L8 A9	W2-T5 PolarHBondContact O-OG1 3.11Å; T5-L8 PolarHBondContact O-N 3.18Å; T5-A9 WeakPolarHBondContact O-CB 3.23Å; T5-A9 PolarHBondContact O-N 3.3Å
6	N	48.3	Very low	46.2	Very low	91 Å²	91	120.9 Å²	120.9	49%	0.487	61%	0.614	S	S	.	*	H	α-helix	trans	-73	-36.3	177.7	-66.7	11.1	0	0	0	111.6	W2 L4 A9 C10	W2-N6 PolarHBondContact O-OD1 2.81Å; L4-N6 VanDerWaalsContact C-N 3.33Å; L4-N6 PolarHBondContact O-N 3.37Å; N6-A9 PolarHBondContact O-N 3.16Å; N6-C10 PolarHBondContact O-N 3.4Å; N6-C10 PolarHBondContact O-SG 3.48Å
7	L	49.9	Very low	45.5	Very low	111 Å²	111	119.1 Å²	119.1	58%	0.581	61%	0.607	S	S	*	*	H	α-helix	trans	-63	-43.9	171.1	-105.2	150	0	0	0	112	R3 L4 A9 C10 L11	R3-L7 PolarHBondContact O-N 3.09Å; L4-L7 PolarHBondContact O-N 2.88Å; L7-A9 VanDerWaalsContact C-N 3.33Å; L7-A9 PolarHBondContact O-N 3.4Å; L7-C10 PolarHBondContact O-N 2.95Å; L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 PolarHBondContact O-N 2.78Å
8	L	51.2	Low	44.8	Very low	105 Å²	105	115.6 Å²	115.6	55%	0.55	60%	0.599	S	S	.	*	H	α-helix	trans	-61.7	-40.3	173	-120.6	74	0	0	0	112	L4 T5 L11 L12	L4-L8 PolarHBondContact O-N 2.91Å; T5-L8 PolarHBondContact O-N 3.18Å; L8-L11 PolarHBondContact O-N 3.13Å; L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 VanDerWaalsContact O-CG 3.25Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 2.74Å
9	A	50.5	Low	44.1	Very low	50 Å²	50	112.3 Å²	112.3	41%	0.413	59%	0.587	S	S	.	*	H	α-helix	trans	-64.7	-44.7	177	0	0	0	0	0	112	T5 N6 L7 L12 V13	T5-A9 WeakPolarHBondContact O-CB 3.23Å; T5-A9 PolarHBondContact O-N 3.3Å; N6-A9 PolarHBondContact O-N 3.16Å; L7-A9 VanDerWaalsContact C-N 3.33Å; L7-A9 PolarHBondContact O-N 3.4Å; A9-L12 PolarHBondContact O-N 2.88Å; A9-V13 WeakPolarHBondContact O-CG2 3.5Å; A9-V13 PolarHBondContact O-N 2.55Å
10	C	45.8	Very low	43.5	Very low	80 Å²	80	109.3 Å²	109.3	54%	0.541	58%	0.575	S	S	.	*	H	α-helix	trans	-62.8	-42.3	175.1	-71.8	0	0	0	0	112.1	N6 L7 V13 L14	N6-C10 PolarHBondContact O-N 3.4Å; N6-C10 PolarHBondContact O-SG 3.48Å; L7-C10 PolarHBondContact O-N 2.95Å; C10-V13 PolarHBondContact O-N 2.74Å; C10-L14 WeakPolarHBondContact O-CB 3.36Å; C10-L14 WeakPolarHBondContact O-CG 3.23Å; C10-L14 PolarHBondContact O-N 3.33Å
11	L	47.2	Very low	43	Very low	97 Å²	97	110.9 Å²	110.9	51%	0.508	58%	0.58	S	S	.	*	H	α-helix	trans	-61.7	-43.3	173.2	-83.2	160.4	0	0	0	111.9	L7 L8 V13 L14 C15	L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 PolarHBondContact O-N 2.78Å; L8-L11 PolarHBondContact O-N 3.13Å; L11-V13 VanDerWaalsContact C-N 3.29Å; L11-V13 PolarHBondContact O-N 3.5Å; L11-L14 PolarHBondContact O-N 2.89Å; L11-C15 VanDerWaalsContact O-CB 3.29Å; L11-C15 WeakPolarHBondContact O-CB 3.49Å; L11-C15 PolarHBondContact O-N 2.96Å; L11-C15 PolarHBondContact O-SG 2.88Å
12	L	45.2	Very low	42.1	Very low	109 Å²	109	105.7 Å²	105.7	57%	0.571	56%	0.556	S	S	*	*	H	α-helix	trans	-68.8	-23.1	177.4	-74.3	167.7	0	0	0	113.8	L8 A9 K16	L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 VanDerWaalsContact O-CG 3.25Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 2.74Å; A9-L12 PolarHBondContact O-N 2.88Å; L12-K16 WeakPolarHBondContact O-CB 3.43Å; L12-K16 WeakPolarHBondContact O-CD 3.2Å; L12-K16 WeakPolarHBondContact O-CG 3.36Å; L12-K16 PolarHBondContact O-N 2.86Å
13	V	46.3	Very low	41.7	Very low	81 Å²	81	103.3 Å²	103.3	49%	0.491	55%	0.552	S	S	.	*	H	α-helix	trans	-79	-50.8	170.2	170.9	0	0	0	0	110.2	A9 C10 L11 C15 K16 D17	A9-V13 WeakPolarHBondContact O-CG2 3.5Å; A9-V13 PolarHBondContact O-N 2.55Å; C10-V13 PolarHBondContact O-N 2.74Å; L11-V13 VanDerWaalsContact C-N 3.29Å; L11-V13 PolarHBondContact O-N 3.5Å; V13-C15 VanDerWaalsContact C-N 3.32Å; V13-C15 PolarHBondContact O-N 3.48Å; V13-K16 CarbonylContact O-C 3.49Å; V13-K16 WeakPolarHBondContact O-CA 3.35Å; V13-K16 WeakPolarHBondContact O-CB 3.16Å; V13-K16 PolarHBondContact O-N 3.02Å; V13-D17 PolarHBondContact O-N 2.94Å
14	L	42.9	Very low	41.1	Very low	118 Å²	118	96.9 Å²	96.9	62%	0.618	53%	0.534	S	S	*	.	H	α-helix	trans	-60.1	-39.4	178.8	-70.2	167.6	0	0	0	112.5	C10 L11 K16 D17 A18	C10-L14 WeakPolarHBondContact O-CB 3.36Å; C10-L14 WeakPolarHBondContact O-CG 3.23Å; C10-L14 PolarHBondContact O-N 3.33Å; L11-L14 PolarHBondContact O-N 2.89Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 2.93Å; L14-D17 PolarHBondContact O-N 3.39Å; L14-A18 WeakPolarHBondContact O-CB 3.29Å; L14-A18 PolarHBondContact O-N 2.9Å
15	C	39.8	Very low	40.4	Very low	81 Å²	81	98.4 Å²	98.4	55%	0.547	54%	0.535	S	S	.	.	H	α-helix	trans	-68.8	-27.4	172.5	-69.1	0	0	0	0	113.1	L11 V13 S19	L11-C15 VanDerWaalsContact O-CB 3.29Å; L11-C15 WeakPolarHBondContact O-CB 3.49Å; L11-C15 PolarHBondContact O-N 2.96Å; L11-C15 PolarHBondContact O-SG 2.88Å; V13-C15 VanDerWaalsContact C-N 3.32Å; V13-C15 PolarHBondContact O-N 3.48Å; C15-S19 WeakPolarHBondContact O-CB 3.42Å; C15-S19 PolarHBondContact O-N 3.37Å
16	K	38.8	Very low	39.5	Very low	149 Å²	149	97.2 Å²	97.2	65%	0.648	54%	0.539	S	S	*	.	H	α-helix	trans	-74.1	-36.9	172.6	-84	175.6	179.4	-179.8	0	112.2	L12 V13 L14 S19 S20	L12-K16 WeakPolarHBondContact O-CB 3.43Å; L12-K16 WeakPolarHBondContact O-CD 3.2Å; L12-K16 WeakPolarHBondContact O-CG 3.36Å; L12-K16 PolarHBondContact O-N 2.86Å; V13-K16 CarbonylContact O-C 3.49Å; V13-K16 WeakPolarHBondContact O-CA 3.35Å; V13-K16 WeakPolarHBondContact O-CB 3.16Å; V13-K16 PolarHBondContact O-N 3.02Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 2.93Å; K16-S19 CarbonylContact O-C 3.48Å; K16-S19 PolarHBondContact O-N 3.47Å; K16-S20 VanDerWaalsContact O-CB 3.32Å; K16-S20 WeakPolarHBondContact O-CB 3.48Å; K16-S20 PolarHBondContact O-N 3.25Å
17	D	34.6	Very low	39.1	Very low	90 Å²	90	98.9 Å²	98.9	48%	0.481	55%	0.547	S	S	.	.	H	α-helix	trans	-76	-37.7	178	-69.1	-37.3	0	0	0	112.3	V13 L14 S19 S20 Q21	V13-D17 PolarHBondContact O-N 2.94Å; L14-D17 PolarHBondContact O-N 3.39Å; D17-S19 VanDerWaalsContact C-N 3.33Å; D17-S19 PolarHBondContact O-N 3.4Å; D17-S20 WeakPolarHBondContact CA-OG 2.99Å; D17-S20 PolarHBondContact O-N 2.84Å; D17-S20 PolarHBondContact O-OG 3.42Å; D17-Q21 PolarHBondContact O-N 2.84Å; D17-Q21 VanDerWaalsContact O-N 3.11Å
18	A	31.6	Very low	38.9	Very low	56 Å²	56	99.2 Å²	99.2	46%	0.463	56%	0.555	S	S	.	*	H	α-helix	trans	-60.4	-42.4	166.2	0	0	0	0	0	111.6	L14 S20 N22	L14-A18 WeakPolarHBondContact O-CB 3.29Å; L14-A18 PolarHBondContact O-N 2.9Å; A18-S20 VanDerWaalsContact C-N 3.29Å; A18-S20 PolarHBondContact O-N 2.61Å; A18-N22 PolarHBondContact O-N 2.65Å; A18-N22 PolarHBondContact O-OD1 2.66Å
19	S	31.6	Very low	38.8	Very low	54 Å²	54	97.8 Å²	97.8	38%	0.378	55%	0.545	S	S	.	.	H	α-helix	trans	-70.6	-19.5	175.3	179.8	0	0	0	0	114	C15 K16 D17 K23	C15-S19 WeakPolarHBondContact O-CB 3.42Å; C15-S19 PolarHBondContact O-N 3.37Å; K16-S19 CarbonylContact O-C 3.48Å; K16-S19 PolarHBondContact O-N 3.47Å; D17-S19 VanDerWaalsContact C-N 3.33Å; D17-S19 PolarHBondContact O-N 3.4Å; S19-K23 WeakPolarHBondContact O-CG 2.94Å
20	S	32.6	Very low	39	Very low	51 Å²	51	100.2 Å²	100.2	36%	0.357	56%	0.556	S	S	.	*	H	α-helix	trans	-86.9	-38.9	-179	75.6	0	0	0	0	111.4	K16 D17 A18 K23 I24	K16-S20 VanDerWaalsContact O-CB 3.32Å; K16-S20 WeakPolarHBondContact O-CB 3.48Å; K16-S20 PolarHBondContact O-N 3.25Å; D17-S20 WeakPolarHBondContact CA-OG 2.99Å; D17-S20 PolarHBondContact O-N 2.84Å; D17-S20 PolarHBondContact O-OG 3.42Å; A18-S20 VanDerWaalsContact C-N 3.29Å; A18-S20 PolarHBondContact O-N 2.61Å; S20-K23 PolarHBondContact O-N 2.92Å; S20-K23 VanDerWaalsContact O-N 3.16Å; S20-I24 WeakPolarHBondContact O-CG1 3.34Å; S20-I24 PolarHBondContact O-N 2.02Å
21	Q	32.2	Very low	39.9	Very low	144 Å²	144	98.6 Å²	98.6	67%	0.673	54%	0.544	S	S	*	.	H	α-helix	trans	-62.6	-45.4	170.6	-69	-166.3	-9.9	0	0	111.6	D17 K23 I24	D17-Q21 PolarHBondContact O-N 2.84Å; D17-Q21 VanDerWaalsContact O-N 3.11Å; Q21-K23 PolarHBondContact O-N 3.08Å; Q21-I24 PolarHBondContact O-N 3.25Å
22	N	30	Very low	40.7	Very low	104 Å²	104	101.6 Å²	101.6	56%	0.556	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-5.5	175.6	-67.8	14.2	0	0	0	114.1	A18	A18-N22 PolarHBondContact O-N 2.65Å; A18-N22 PolarHBondContact O-OD1 2.66Å
23	K	31.1	Very low	42	Very low	165 Å²	165	101 Å²	101	72%	0.717	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-9.7	171.1	-84.6	178.2	174.7	173.6	0	114.1	S19 S20 Q21	S19-K23 WeakPolarHBondContact O-CG 2.94Å; S20-K23 PolarHBondContact O-N 2.92Å; S20-K23 VanDerWaalsContact O-N 3.16Å; Q21-K23 PolarHBondContact O-N 3.08Å
24	I	35.5	Very low	43.3	Very low	92 Å²	92	101 Å²	101	47%	0.472	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-37.7	179.5	-67.4	168.5	0	0	0	110.7	S20 Q21 K98	S20-I24 WeakPolarHBondContact O-CG1 3.34Å; S20-I24 PolarHBondContact O-N 2.02Å; Q21-I24 PolarHBondContact O-N 3.25Å; I24-K98 PolarHBondContact O-NZ 2.97Å
25	F	31.7	Very low	44.9	Very low	159 Å²	159	99 Å²	99	70%	0.697	54%	0.54	S	S	*	.	S	Bend	trans	-119.6	106.2	167.8	-60.4	-85.1	0	0	0	107.6
26	G	33.4	Very low	46.7	Very low	55 Å²	55	100.7 Å²	100.7	57%	0.567	54%	0.54	S	S	*	.			trans	-74.9	152.7	-176.3	0	0	0	0	0	112.6	T28	G26-T28 PolarHBondContact O-N 3.03Å; G26-T28 VanDerWaalsContact O-N 3.13Å
27	D	38.4	Very low	48.3	Very low	125 Å²	125	95.8 Å²	95.8	67%	0.668	53%	0.532	S	S	*	.			trans	-55.2	114.5	-174.2	-60.3	-63.9	0	0	0	112.8	E29 S88	D27-E29 PolarHBondContact O-N 2.84Å; D27-S88 WeakPolarHBondContact O-CB 3.27Å; D27-S88 PolarHBondContact O-OG 2.83Å
28	T	47	Very low	49.8	Very low	119 Å²	119	97.1 Å²	97.1	73%	0.73	55%	0.548	S	S	*	.			trans	-76.7	74.3	167.4	53.3	0	0	0	0	109.3	G26	G26-T28 PolarHBondContact O-N 3.03Å; G26-T28 VanDerWaalsContact O-N 3.13Å
29	E	48.2	Very low	51.6	Low	75 Å²	75	98.8 Å²	98.8	35%	0.35	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-55	134.2	172.9	-172.3	-174	-174.7	0	0	109.8	D27 R32 P86 S89	D27-E29 PolarHBondContact O-N 2.84Å; E29-R32 IonicContact OE1-CZ 3.81Å; E29-R32 IonicContact OE1-NE 3.95Å; E29-R32 PolarHBondContact OE1-NE 2.83Å; E29-R32 IonicContact OE1-NH2 3.61Å; E29-R32 PolarHBondContact OE1-NH2 3.28Å; E29-P86 HydrophobicContact CB-CB 4.14Å; E29-P86 HydrophobicContact CB-CG 3.66Å; E29-P86 HydrophobicContact CG-CB 4.24Å; E29-P86 HydrophobicContact CG-CG 3.91Å; E29-P86 WeakPolarHBondContact O-CG 3.49Å; E29-P86 WeakPolarHBondContact OE2-CB 3.32Å; E29-S89 PolarHBondContact O-OG 2.82Å
30	P	56.2	Low	53.5	Low	100 Å²	100	97.9 Å²	97.9	65%	0.649	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-73.2	152.4	-174.4	28.3	-35.2	0	0	0	113	R32	P30-R32 PolarHBondContact O-N 3.27Å
31	V	62.8	Low	55.6	Low	47 Å²	47	103.6 Å²	103.6	29%	0.285	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-62.6	124	173.7	-178.5	0	0	0	0	109.6	C44 M46 A85	V31-C44 HydrophobicContact CG1-CB 4.38Å; V31-M46 HydrophobicContact CG2-CE 3.66Å; V31-M46 HydrophobicContact CG2-CG 3.93Å; V31-M46 HydrophobicContact CG2-SD 3.62Å; V31-A85 HydrophobicContact CG1-CB 4.46Å; V31-A85 HydrophobicContact CG2-CB 4.13Å
32	R	64.4	Low	57.7	Low	159 Å²	159	97.9 Å²	97.9	60%	0.6	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	138	-179.6	-57	-174.9	-174.2	-172.4	2.8	109.8	E29 P30 C83 T84	E29-R32 IonicContact OE1-CZ 3.81Å; E29-R32 IonicContact OE1-NE 3.95Å; E29-R32 PolarHBondContact OE1-NE 2.83Å; E29-R32 IonicContact OE1-NH2 3.61Å; E29-R32 PolarHBondContact OE1-NH2 3.28Å; P30-R32 PolarHBondContact O-N 3.27Å; R32-C83 WeakPolarHBondContact O-CA 3.35Å; R32-T84 PolarHBondContact N-O 2.79Å; R32-T84 PolarHBondContact O-N 2.62Å
33	M	72.8	Confident	59.9	Low	96 Å²	96	99.2 Å²	99.2	47%	0.473	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.3	178.3	-172.9	173	73.5	0	0	109.7	C42 C44 S82	M33-C42 HydrophobicContact CE-CB 3.98Å; M33-C42 HydrophobicContact CG-CB 4.26Å; M33-C42 HydrophobicContact SD-CB 3.49Å; M33-C42 WeakPolarHBondContact SD-CB 3.25Å; M33-C44 VanDerWaalsContact CG-SG 3.55Å; M33-S82 WeakPolarHBondContact CA-O 3.44Å
34	T	74.9	Confident	61.8	Low	82 Å²	82	93 Å²	93	50%	0.503	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	149.2	171.9	54.3	0	0	0	0	110.5	C81 S82	T34-C81 CarbonylContact O-C 3.54Å; T34-C81 WeakPolarHBondContact O-CA 3.11Å; T34-S82 PolarHBondContact N-O 3.25Å; T34-S82 PolarHBondContact O-N 3.12Å; T34-S82 PolarHBondContact OG1-OG 3.25Å
35	S	76.5	Confident	63.4	Low	76 Å²	76	91.4 Å²	91.4	53%	0.531	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	128.5	-173.7	57.3	0	0	0	0	111	C42	S35-C42 WeakPolarHBondContact CB-SG 3.47Å
36	E	75.9	Confident	65.1	Low	116 Å²	116	87.3 Å²	87.3	54%	0.542	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	116.1	-179.6	-176.8	176	-148.3	0	0	108.1	C40 K80	E36-C40 PolarHBondContact O-SG 2.95Å; E36-K80 HydrophobicContact CB-CB 4.31Å; E36-K80 PolarHBondContact N-O 3.14Å; E36-K80 PolarHBondContact O-N 3.26Å; E36-K80 WeakPolarHBondContact OE2-CD 3.04Å; E36-K80 VanDerWaalsContact OE2-CE 3.29Å; E36-K80 WeakPolarHBondContact OE2-CE 3.4Å; E36-K80 IonicContact OE2-NZ 2.61Å; E36-K80 PolarHBondContact OE2-NZ 2.74Å
37	G	72.7	Confident	66.5	Low	46 Å²	46	90.9 Å²	90.9	47%	0.474	48%	0.482	S	S	.	.	S	Bend	trans	147.5	160.7	-173.1	0	0	0	0	0	112.6	D78	G37-D78 WeakPolarHBondContact CA-O 3.12Å
38	S	66.6	Low	67.6	Low	118 Å²	118	90.1 Å²	90.1	83%	0.825	48%	0.484	S	S	*	.	S	Bend	trans	-88.4	-33	-171.6	49.9	0	0	0	0	115.7
39	D	68.8	Low	68.4	Low	92 Å²	92	85.9 Å²	85.9	49%	0.492	46%	0.457	S	S	.	.	S	Bend	trans	-123.4	72.7	167.6	-177.2	14.3	0	0	0	108.7	R41 G76	D39-R41 IonicContact OD1-NE 2.69Å; D39-R41 IonicContact OD1-NH2 2.84Å; D39-G76 VanDerWaalsContact O-CA 3.24Å; D39-G76 WeakPolarHBondContact O-CA 3.38Å
40	C	72.6	Confident	69.3	Low	35 Å²	35	85.4 Å²	85.4	24%	0.236	46%	0.461	C	S	.	.			trans	-98.5	116.8	-171.4	-126.1	0	0	0	0	111.7	E36 C79	E36-C40 PolarHBondContact O-SG 2.95Å; C40-C79 WeakPolarHBondContact CA-SG 3.37Å; C40-C79 HydrophobicContact CB-CB 4.06Å; C40-C79 WeakPolarHBondContact CB-SG 3.4Å; C40-C79 WeakPolarHBondContact SG-CA 3.29Å; C40-C79 WeakPolarHBondContact SG-CB 3.04Å; C40-C79 CovalentContact SG-SG 2.04Å; C40-C79 PolarHBondContact SG-SG 2.78Å
41	R	76.1	Confident	69.7	Low	171 Å²	171	86.2 Å²	86.2	65%	0.645	46%	0.455	S	S	*	.			trans	-114.1	88.6	174.2	-58.5	-174.6	-168.7	-155	3	110.4	D39 S74 S75	D39-R41 IonicContact OD1-NE 2.69Å; D39-R41 IonicContact OD1-NH2 2.84Å; R41-S74 WeakPolarHBondContact O-CA 3.24Å; R41-S75 PolarHBondContact N-O 2.02Å; R41-S75 PolarHBondContact O-N 2.91Å; R41-S75 VanDerWaalsContact O-N 3.1Å
42	C	76.7	Confident	69.9	Low	24 Å²	24	89 Å²	89	16%	0.162	47%	0.468	C	S	.	.			trans	-92.4	142.6	179.6	-58	0	0	0	0	112.3	M33 S35 V73 C81	M33-C42 HydrophobicContact CE-CB 3.98Å; M33-C42 HydrophobicContact CG-CB 4.26Å; M33-C42 HydrophobicContact SD-CB 3.49Å; M33-C42 WeakPolarHBondContact SD-CB 3.25Å; S35-C42 WeakPolarHBondContact CB-SG 3.47Å; C42-V73 CarbonylContact C-O 3.58Å; C42-V73 WeakPolarHBondContact CA-O 3.39Å; C42-C81 WeakPolarHBondContact CA-SG 3.49Å; C42-C81 HydrophobicContact CB-CB 3.75Å; C42-C81 WeakPolarHBondContact CB-SG 3.17Å; C42-C81 WeakPolarHBondContact SG-CB 3.46Å; C42-C81 CovalentContact SG-SG 2.02Å; C42-C81 PolarHBondContact SG-SG 2.66Å
43	K	75.3	Confident	70.1	Confident	132 Å²	132	81.5 Å²	81.5	57%	0.574	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.4	117.8	170.2	-177.1	178	-178.1	176.9	0	111.2	I45 V73	K43-I45 HydrophobicContact CD-CD1 4.46Å; K43-I45 HydrophobicContact CD-CG1 4.41Å; K43-I45 HydrophobicContact CG-CG1 4.21Å; K43-V73 HydrophobicContact CB-CB 4.4Å; K43-V73 PolarHBondContact N-O 3.09Å; K43-V73 PolarHBondContact O-N 3.36Å
44	C	72.4	Confident	69.8	Low	34 Å²	34	77.2 Å²	77.2	23%	0.23	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135.5	169	-51.6	0	0	0	0	110.6	V31 M33 E71 C83	V31-C44 HydrophobicContact CG1-CB 4.38Å; M33-C44 VanDerWaalsContact CG-SG 3.55Å; C44-E71 CarbonylContact C-O 3.57Å; C44-E71 WeakPolarHBondContact CA-O 3.34Å; C44-C83 WeakPolarHBondContact CA-SG 3.47Å; C44-C83 HydrophobicContact CB-CB 3.83Å; C44-C83 WeakPolarHBondContact CB-SG 3.42Å; C44-C83 WeakPolarHBondContact SG-CB 3.46Å; C44-C83 CovalentContact SG-SG 2.03Å; C44-C83 PolarHBondContact SG-SG 2.85Å
45	I	67.1	Low	69.4	Low	59 Å²	59	76.7 Å²	76.7	30%	0.303	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	111	173.5	-55.8	177.7	0	0	0	108.2	K43 V70 E71 V73	K43-I45 HydrophobicContact CD-CD1 4.46Å; K43-I45 HydrophobicContact CD-CG1 4.41Å; K43-I45 HydrophobicContact CG-CG1 4.21Å; I45-V70 WeakPolarHBondContact O-CA 3.5Å; I45-E71 HydrophobicContact CB-CB 4.36Å; I45-E71 PolarHBondContact N-O 2.04Å; I45-E71 PolarHBondContact O-N 2.98Å; I45-V73 HydrophobicContact CD1-CG2 4.03Å
46	M	67.5	Low	69	Low	72 Å²	72	75.7 Å²	75.7	36%	0.355	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.2	169.1	-64.9	-136.5	-62.4	0	0	110.4	V31 T69 V70 A85	V31-M46 HydrophobicContact CG2-CE 3.66Å; V31-M46 HydrophobicContact CG2-CG 3.93Å; V31-M46 HydrophobicContact CG2-SD 3.62Å; M46-T69 WeakPolarHBondContact CA-O 3.25Å; M46-V70 HydrophobicContact CG-CG1 4.3Å; M46-V70 HydrophobicContact CG-CG2 4Å; M46-V70 HydrophobicContact SD-CG2 3.8Å; M46-A85 HydrophobicContact SD-CB 3.62Å
47	R	64.6	Low	68.6	Low	130 Å²	130	72.6 Å²	72.6	49%	0.491	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.4	167.2	-66.3	-173.7	177.9	137.3	5.4	110.1	T69 E71	R47-T69 PolarHBondContact N-O 3.43Å; R47-E71 IonicContact CZ-OE1 3.32Å; R47-E71 IonicContact CZ-OE2 3.69Å; R47-E71 IonicContact NE-OE2 2.87Å; R47-E71 IonicContact NH1-OE1 3.53Å; R47-E71 PolarHBondContact NH1-OE1 3.43Å; R47-E71 IonicContact NH1-OE2 2.73Å; R47-E71 IonicContact NH2-OE1 2.65Å; R47-E71 PolarHBondContact NH2-OE1 2.88Å; R47-E71 IonicContact NH2-OE2 2.71Å; R47-E71 PolarHBondContact NH2-OE2 2.96Å
48	P	59.7	Low	68.2	Low	110 Å²	110	77.4 Å²	77.4	71%	0.714	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-69.9	153.7	175.4	30.4	-34.8	0	0	0	111.2
49	L	65.6	Low	68.1	Low	30 Å²	30	75.3 Å²	75.3	16%	0.157	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-67.2	146.7	176.9	-70.8	170.1	0	0	0	111.9	A53 L57 D66	L49-A53 HydrophobicContact CD2-CB 4.24Å; L49-L57 HydrophobicContact CD1-CD1 3.76Å; L49-D66 WeakPolarHBondContact CD2-O 3.49Å
50	S	65.3	Low	67.7	Low	64 Å²	64	73.9 Å²	73.9	45%	0.448	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-75.5	156.6	171.8	71.8	0	0	0	0	111.5	D52 A53 C54	S50-D52 PolarHBondContact O-N 3.26Å; S50-A53 WeakPolarHBondContact O-CB 3.43Å; S50-A53 PolarHBondContact O-N 2.85Å; S50-A53 VanDerWaalsContact O-N 3.07Å; S50-A53 WeakPolarHBondContact OG-CB 3.37Å; S50-A53 PolarHBondContact OG-N 2.86Å; S50-C54 PolarHBondContact O-N 2.91Å
51	K	65.5	Low	67.2	Low	117 Å²	117	75.4 Å²	75.4	51%	0.509	39%	0.392	S	S	.	.	H	α-helix	trans	-60.7	-32.1	-179.9	-158.6	165.9	-170.7	101.2	0	112.2	C54 L55 E96	K51-C54 WeakPolarHBondContact O-CB 3.32Å; K51-C54 PolarHBondContact O-N 3.45Å; K51-L55 VanDerWaalsContact O-CG 3.29Å; K51-L55 WeakPolarHBondContact O-CG 3.39Å; K51-L55 PolarHBondContact O-N 3.28Å; K51-E96 IonicContact NZ-OE1 2.76Å; K51-E96 PolarHBondContact NZ-OE1 3.28Å; K51-E96 IonicContact NZ-OE2 2.61Å; K51-E96 PolarHBondContact NZ-OE2 2.79Å
52	D	67.9	Low	66.5	Low	105 Å²	105	70.5 Å²	70.5	56%	0.561	38%	0.381	S	S	*	.	H	α-helix	trans	-78.5	-25.7	177.1	-53.9	-56.6	0	0	0	113.5	S50 R56	S50-D52 PolarHBondContact O-N 3.26Å; D52-R56 WeakPolarHBondContact O-CG 3.44Å; D52-R56 PolarHBondContact O-N 3.46Å; D52-R56 PolarHBondContact O-NE 3.17Å
53	A	67.1	Low	65.9	Low	2 Å²	2	76.3 Å²	76.3	2%	0.017	40%	0.399	C	S	.	.	H	α-helix	trans	-69.1	-47.3	166.5	0	0	0	0	0	110.5	L49 S50 L55 R56 L57 D66	L49-A53 HydrophobicContact CD2-CB 4.24Å; S50-A53 WeakPolarHBondContact O-CB 3.43Å; S50-A53 PolarHBondContact O-N 2.85Å; S50-A53 VanDerWaalsContact O-N 3.07Å; S50-A53 WeakPolarHBondContact OG-CB 3.37Å; S50-A53 PolarHBondContact OG-N 2.86Å; A53-L55 VanDerWaalsContact C-N 3.32Å; A53-L55 PolarHBondContact O-N 3.34Å; A53-R56 PolarHBondContact O-N 3.24Å; A53-R56 VanDerWaalsContact O-N 3.12Å; A53-L57 WeakPolarHBondContact O-CG 3.11Å; A53-L57 PolarHBondContact O-N 2.91Å; A53-D66 WeakPolarHBondContact CA-OD1 3.39Å; A53-D66 HydrophobicContact CB-CB 4.12Å; A53-D66 WeakPolarHBondContact CB-OD1 3.39Å
54	C	67.8	Low	65	Low	6 Å²	6	75.3 Å²	75.3	4%	0.041	40%	0.404	C	S	.	.	H	α-helix	trans	-52.6	-47.3	172.7	-71.1	0	0	0	0	112	S50 K51 R56 L57 R58 C93 W97	S50-C54 PolarHBondContact O-N 2.91Å; K51-C54 WeakPolarHBondContact O-CB 3.32Å; K51-C54 PolarHBondContact O-N 3.45Å; C54-R56 VanDerWaalsContact C-N 3.35Å; C54-R56 PolarHBondContact O-N 2.98Å; C54-L57 PolarHBondContact O-N 3.36Å; C54-R58 PolarHBondContact O-N 2.96Å; C54-R58 VanDerWaalsContact O-N 3.1Å; C54-C93 WeakPolarHBondContact CA-SG 3.49Å; C54-C93 HydrophobicContact CB-CB 3.6Å; C54-C93 WeakPolarHBondContact CB-SG 3.49Å; C54-C93 WeakPolarHBondContact SG-CB 3.5Å; C54-C93 CovalentContact SG-SG 2.03Å; C54-C93 PolarHBondContact SG-SG 2.92Å; C54-W97 HydrophobicContact CB-CZ2 3.89Å; C54-W97 WeakPolarHBondContact O-CH2 3.23Å; C54-W97 VanDerWaalsContact O-CZ2 3.22Å; C54-W97 WeakPolarHBondContact O-CZ2 3.42Å
55	L	66.7	Low	64.4	Low	71 Å²	71	79.5 Å²	79.5	37%	0.372	42%	0.42	S	S	.	.	H	α-helix	trans	-61.6	-38.9	178.6	-73.5	169.9	0	0	0	113	K51 A53 R58 S59	K51-L55 VanDerWaalsContact O-CG 3.29Å; K51-L55 WeakPolarHBondContact O-CG 3.39Å; K51-L55 PolarHBondContact O-N 3.28Å; A53-L55 VanDerWaalsContact C-N 3.32Å; A53-L55 PolarHBondContact O-N 3.34Å; L55-R58 VanDerWaalsContact CD2-NH2 3.31Å; L55-R58 PolarHBondContact O-N 2.69Å; L55-S59 PolarHBondContact O-N 3.46Å
56	R	68	Low	64	Low	55 Å²	55	76.8 Å²	76.8	21%	0.208	41%	0.406	C	S	.	.	H	α-helix	trans	-72.2	-38	177.5	-77.8	178	-73.9	152.8	-7.1	113.4	D52 A53 C54 R58 S59 G60 S61 E65 D66	D52-R56 WeakPolarHBondContact O-CG 3.44Å; D52-R56 PolarHBondContact O-N 3.46Å; D52-R56 PolarHBondContact O-NE 3.17Å; A53-R56 PolarHBondContact O-N 3.24Å; A53-R56 VanDerWaalsContact O-N 3.12Å; C54-R56 VanDerWaalsContact C-N 3.35Å; C54-R56 PolarHBondContact O-N 2.98Å; R56-R58 VanDerWaalsContact C-N 3.27Å; R56-R58 PolarHBondContact O-N 3.16Å; R56-S59 PolarHBondContact O-N 3.18Å; R56-S59 PolarHBondContact O-OG 2.74Å; R56-S59 VanDerWaalsContact O-OG 3.13Å; R56-G60 PolarHBondContact O-N 2.77Å; R56-S61 PolarHBondContact O-N 3.28Å; R56-E65 IonicContact CZ-OE1 3.98Å; R56-E65 IonicContact NH1-OE1 2.81Å; R56-E65 PolarHBondContact NH1-OE1 2.91Å; R56-D66 VanDerWaalsContact CZ-CG 3.49Å; R56-D66 IonicContact CZ-OD1 3.66Å; R56-D66 IonicContact CZ-OD2 2.75Å; R56-D66 IonicContact NE-OD1 3.33Å; R56-D66 IonicContact NE-OD2 2.75Å; R56-D66 IonicContact NH1-OD1 3.81Å; R56-D66 PolarHBondContact NH1-OD1 3.48Å; R56-D66 IonicContact NH1-OD2 3.69Å; R56-D66 PolarHBondContact NH1-OD2 3.43Å; R56-D66 IonicContact NH2-OD1 2.75Å; R56-D66 PolarHBondContact NH2-OD1 3.2Å; R56-D66 IonicContact NH2-OD2 2.89Å
57	L	66.4	Low	63.5	Low	51 Å²	51	76.9 Å²	76.9	27%	0.267	41%	0.405	S	S	.	.	H	α-helix	trans	-57.2	-43.3	170.2	-71.8	165.4	0	0	0	110.7	L49 A53 C54 S59 G60 V62 D66	L49-L57 HydrophobicContact CD1-CD1 3.76Å; A53-L57 WeakPolarHBondContact O-CG 3.11Å; A53-L57 PolarHBondContact O-N 2.91Å; C54-L57 PolarHBondContact O-N 3.36Å; L57-S59 PolarHBondContact O-N 3.47Å; L57-G60 PolarHBondContact O-N 3.3Å; L57-V62 HydrophobicContact CD2-CG1 3.84Å; L57-V62 HydrophobicContact CD2-CG2 4.05Å; L57-D66 HydrophobicContact CG-CB 4.45Å
58	R	64.6	Low	63.2	Low	148 Å²	148	72.5 Å²	72.5	56%	0.558	39%	0.389	S	S	*	.	H	α-helix	trans	-67.4	-29.1	178	-162.3	-177.2	68.2	-158.5	-1.8	114	C54 L55 R56 G60 W97	C54-R58 PolarHBondContact O-N 2.96Å; C54-R58 VanDerWaalsContact O-N 3.1Å; L55-R58 VanDerWaalsContact CD2-NH2 3.31Å; L55-R58 PolarHBondContact O-N 2.69Å; R56-R58 VanDerWaalsContact C-N 3.27Å; R56-R58 PolarHBondContact O-N 3.16Å; R58-G60 VanDerWaalsContact C-N 3.34Å; R58-W97 HydrophobicContact CB-CH2 3.8Å; R58-W97 HydrophobicContact CB-CZ2 3.92Å; R58-W97 HydrophobicContact CB-CZ3 4.46Å; R58-W97 HydrophobicContact CG-CH2 4.25Å; R58-W97 HydrophobicContact CG-CZ2 4.38Å; R58-W97 HydrophobicContact CG-CZ3 4.47Å
59	S	63.7	Low	63.3	Low	74 Å²	74	69.1 Å²	69.1	52%	0.517	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	4.6	174.7	66.2	0	0	0	0	113.8	L55 R56 L57 S61	L55-S59 PolarHBondContact O-N 3.46Å; R56-S59 PolarHBondContact O-N 3.18Å; R56-S59 PolarHBondContact O-OG 2.74Å; R56-S59 VanDerWaalsContact O-OG 3.13Å; L57-S59 PolarHBondContact O-N 3.47Å; S59-S61 PolarHBondContact O-N 2.88Å; S59-S61 PolarHBondContact O-OG 3.14Å; S59-S61 WeakPolarHBondContact OG-CB 3.39Å; S59-S61 PolarHBondContact OG-OG 3.44Å
60	G	60.3	Low	63.2	Low	62 Å²	62	68.3 Å²	68.3	64%	0.639	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	10.5	-175	0	0	0	0	0	114.3	R56 L57 R58 V62	R56-G60 PolarHBondContact O-N 2.77Å; L57-G60 PolarHBondContact O-N 3.3Å; R58-G60 VanDerWaalsContact C-N 3.34Å; G60-V62 VanDerWaalsContact C-N 3.29Å; G60-V62 PolarHBondContact O-N 2.97Å
61	S	62.3	Low	63.3	Low	66 Å²	66	67 Å²	67	46%	0.462	35%	0.349	S	S	.	.			trans	-94.5	49.4	-172.3	-44.2	0	0	0	0	111.5	R56 S59	R56-S61 PolarHBondContact O-N 3.28Å; S59-S61 PolarHBondContact O-N 2.88Å; S59-S61 PolarHBondContact O-OG 3.14Å; S59-S61 WeakPolarHBondContact OG-CB 3.39Å; S59-S61 PolarHBondContact OG-OG 3.44Å
62	V	61.4	Low	63.5	Low	68 Å²	68	62.9 Å²	62.9	41%	0.412	33%	0.334	S	S	.	.			trans	-73.8	136.9	-165.6	-167.5	0	0	0	0	112.5	L57 G60 D66 F67	L57-V62 HydrophobicContact CD2-CG1 3.84Å; L57-V62 HydrophobicContact CD2-CG2 4.05Å; G60-V62 VanDerWaalsContact C-N 3.29Å; G60-V62 PolarHBondContact O-N 2.97Å; V62-D66 HydrophobicContact CG1-CB 4.41Å; V62-F67 HydrophobicContact CG1-CE2 3.79Å; V62-F67 HydrophobicContact CG1-CZ 3.68Å
63	R	64.3	Low	63.8	Low	146 Å²	146	61.2 Å²	61.2	55%	0.551	33%	0.327	S	S	*	.			trans	-116.7	166.2	167.7	-56.6	-178.7	-173.7	168.9	-3.8	111.7	E65 D66 F67	R63-E65 HydrophobicContact CB-CG 3.65Å; R63-E65 WeakPolarHBondContact CD-OE1 3.48Å; R63-E65 IonicContact CZ-OE1 3.79Å; R63-E65 IonicContact NE-OE1 2.86Å; R63-E65 IonicContact NH1-OE1 2.8Å; R63-E65 PolarHBondContact NH1-OE1 3.31Å; R63-E65 PolarHBondContact O-N 3.48Å; R63-D66 WeakPolarHBondContact CB-OD2 3.48Å; R63-D66 PolarHBondContact N-OD2 3.4Å; R63-D66 WeakPolarHBondContact O-CB 3.44Å; R63-D66 PolarHBondContact O-N 2.92Å; R63-F67 WeakPolarHBondContact O-CD2 3.27Å; R63-F67 WeakPolarHBondContact O-CE2 3.5Å
64	V	57	Low	64.1	Low	111 Å²	111	62.9 Å²	62.9	67%	0.673	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-63.3	-25.3	178	-173.2	0	0	0	0	112.5	D66	V64-D66 VanDerWaalsContact C-N 3.31Å
65	E	59.1	Low	64.1	Low	123 Å²	123	66.2 Å²	66.2	58%	0.575	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-76.6	-8.1	172.9	55.5	178.5	-155.6	0	0	114.4	R56 R63	R56-E65 IonicContact CZ-OE1 3.98Å; R56-E65 IonicContact NH1-OE1 2.81Å; R56-E65 PolarHBondContact NH1-OE1 2.91Å; R63-E65 HydrophobicContact CB-CG 3.65Å; R63-E65 WeakPolarHBondContact CD-OE1 3.48Å; R63-E65 IonicContact CZ-OE1 3.79Å; R63-E65 IonicContact NE-OE1 2.86Å; R63-E65 IonicContact NH1-OE1 2.8Å; R63-E65 PolarHBondContact NH1-OE1 3.31Å; R63-E65 PolarHBondContact O-N 3.48Å
66	D	58.4	Low	64.2	Low	2 Å²	2	64 Å²	64	1%	0.011	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-96.9	21.6	-176.9	-61.7	-42.8	0	0	0	113.3	L49 A53 R56 L57 V62 R63 V64	L49-D66 WeakPolarHBondContact CD2-O 3.49Å; A53-D66 WeakPolarHBondContact CA-OD1 3.39Å; A53-D66 HydrophobicContact CB-CB 4.12Å; A53-D66 WeakPolarHBondContact CB-OD1 3.39Å; R56-D66 VanDerWaalsContact CZ-CG 3.49Å; R56-D66 IonicContact CZ-OD1 3.66Å; R56-D66 IonicContact CZ-OD2 2.75Å; R56-D66 IonicContact NE-OD1 3.33Å; R56-D66 IonicContact NE-OD2 2.75Å; R56-D66 IonicContact NH1-OD1 3.81Å; R56-D66 PolarHBondContact NH1-OD1 3.48Å; R56-D66 IonicContact NH1-OD2 3.69Å; R56-D66 PolarHBondContact NH1-OD2 3.43Å; R56-D66 IonicContact NH2-OD1 2.75Å; R56-D66 PolarHBondContact NH2-OD1 3.2Å; R56-D66 IonicContact NH2-OD2 2.89Å; L57-D66 HydrophobicContact CG-CB 4.45Å; V62-D66 HydrophobicContact CG1-CB 4.41Å; R63-D66 WeakPolarHBondContact CB-OD2 3.48Å; R63-D66 PolarHBondContact N-OD2 3.4Å; R63-D66 WeakPolarHBondContact O-CB 3.44Å; R63-D66 PolarHBondContact O-N 2.92Å; V64-D66 VanDerWaalsContact C-N 3.31Å
67	F	57.7	Low	64.2	Low	74 Å²	74	65.8 Å²	65.8	33%	0.325	38%	0.377	S	S	.	.	S	Bend	trans	-112.4	148.9	175.9	-64.3	-85.2	0	0	0	111.3	V62 R63	V62-F67 HydrophobicContact CG1-CE2 3.79Å; V62-F67 HydrophobicContact CG1-CZ 3.68Å; R63-F67 WeakPolarHBondContact O-CD2 3.27Å; R63-F67 WeakPolarHBondContact O-CE2 3.5Å
68	Y	58.7	Low	64.2	Low	38 Å²	38	69.3 Å²	69.3	15%	0.149	40%	0.397	C	S	.	.			trans	-60.8	142.1	174.4	69.8	-78.9	0	0	0	110.2	V70 A85 L90 Y276	Y68-V70 HydrophobicContact CD2-CG2 3.79Å; Y68-V70 HydrophobicContact CE2-CG2 3.76Å; Y68-A85 HydrophobicContact CE2-CB 4.18Å; Y68-L90 HydrophobicContact CD1-CB 4.22Å; Y68-L90 HydrophobicContact CD1-CD2 3.98Å; Y68-L90 HydrophobicContact CD1-CG 4.47Å; Y68-L90 HydrophobicContact CD2-CD2 3.96Å; Y68-L90 HydrophobicContact CE1-CB 4.08Å; Y68-L90 HydrophobicContact CE1-CD1 3.71Å; Y68-L90 HydrophobicContact CE1-CD2 3.61Å; Y68-L90 HydrophobicContact CE1-CG 3.98Å; Y68-L90 HydrophobicContact CE2-CD2 3.56Å; Y68-L90 HydrophobicContact CG-CD2 4.18Å; Y68-Y276 HydrophobicContact CE2-CD2 4.37Å; Y68-Y276 WeakPolarHBondContact OH-CB 3.25Å
69	T	62.6	Low	64.5	Low	39 Å²	39	63 Å²	63	24%	0.239	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.5	175.8	47.3	0	0	0	0	110.1	M46 R47	M46-T69 WeakPolarHBondContact CA-O 3.25Å; R47-T69 PolarHBondContact N-O 3.43Å
70	V	62.4	Low	65.1	Low	12 Å²	12	66.2 Å²	66.2	7%	0.073	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	96.6	174.7	-170.7	0	0	0	0	107.6	I45 M46 Y68 C83 A85	I45-V70 WeakPolarHBondContact O-CA 3.5Å; M46-V70 HydrophobicContact CG-CG1 4.3Å; M46-V70 HydrophobicContact CG-CG2 4Å; M46-V70 HydrophobicContact SD-CG2 3.8Å; Y68-V70 HydrophobicContact CD2-CG2 3.79Å; Y68-V70 HydrophobicContact CE2-CG2 3.76Å; V70-C83 HydrophobicContact CG1-CB 3.58Å; V70-A85 HydrophobicContact CG2-CB 4.24Å
71	E	67.1	Low	65.9	Low	37 Å²	37	64.3 Å²	64.3	17%	0.173	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	132.5	174.8	-68.3	-179.9	149.3	0	0	109.5	C44 I45 R47	C44-E71 CarbonylContact C-O 3.57Å; C44-E71 WeakPolarHBondContact CA-O 3.34Å; I45-E71 HydrophobicContact CB-CB 4.36Å; I45-E71 PolarHBondContact N-O 2.04Å; I45-E71 PolarHBondContact O-N 2.98Å; R47-E71 IonicContact CZ-OE1 3.32Å; R47-E71 IonicContact CZ-OE2 3.69Å; R47-E71 IonicContact NE-OE2 2.87Å; R47-E71 IonicContact NH1-OE1 3.53Å; R47-E71 PolarHBondContact NH1-OE1 3.43Å; R47-E71 IonicContact NH1-OE2 2.73Å; R47-E71 IonicContact NH2-OE1 2.65Å; R47-E71 PolarHBondContact NH2-OE1 2.88Å; R47-E71 IonicContact NH2-OE2 2.71Å; R47-E71 PolarHBondContact NH2-OE2 2.96Å
72	T	70.9	Confident	66.5	Low	30 Å²	30	63.8 Å²	63.8	18%	0.184	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	105.4	175.4	-55.9	0	0	0	0	108.3	C81 C83	T72-C81 HydrophobicContact CG2-CB 3.42Å; T72-C81 VanDerWaalsContact CG2-CB 3.42Å; T72-C83 PolarHBondContact OG1-SG 3.43Å; T72-C83 VanDerWaalsContact OG1-SG 3.32Å
73	V	72.9	Confident	67.2	Low	71 Å²	71	60.7 Å²	60.7	43%	0.43	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.9	173.1	-174.7	0	0	0	0	108.2	C42 K43 I45	C42-V73 CarbonylContact C-O 3.58Å; C42-V73 WeakPolarHBondContact CA-O 3.39Å; K43-V73 HydrophobicContact CB-CB 4.4Å; K43-V73 PolarHBondContact N-O 3.09Å; K43-V73 PolarHBondContact O-N 3.36Å; I45-V73 HydrophobicContact CD1-CG2 4.03Å
74	S	73.3	Confident	67.3	Low	37 Å²	37	57.4 Å²	57.4	26%	0.259	33%	0.33	S	S	.	.			trans	-128.2	147.8	179.3	54.7	0	0	0	0	110.3	R41 C81	R41-S74 WeakPolarHBondContact O-CA 3.24Å; S74-C81 WeakPolarHBondContact CB-SG 3.33Å
75	S	69.3	Low	67.5	Low	75 Å²	75	52.7 Å²	52.7	52%	0.524	30%	0.303	S	S	.	.			trans	-148.5	146.4	170	-174.1	0	0	0	0	109.3	R41	R41-S75 PolarHBondContact N-O 2.02Å; R41-S75 PolarHBondContact O-N 2.91Å; R41-S75 VanDerWaalsContact O-N 3.1Å
76	G	67.6	Low	67.6	Low	26 Å²	26	47.3 Å²	47.3	27%	0.268	28%	0.279	S	S	.	.	S	Bend	trans	127.6	155	-162.9	0	0	0	0	0	110.8	D39	D39-G76 VanDerWaalsContact O-CA 3.24Å; D39-G76 WeakPolarHBondContact O-CA 3.38Å
77	S	67.8	Low	67.3	Low	91 Å²	91	52.6 Å²	52.6	64%	0.636	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-56.1	179.7	58.1	0	0	0	0	111.2
78	D	67.3	Low	67.1	Low	126 Å²	126	52.4 Å²	52.4	67%	0.674	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	43.3	-172.8	-57.1	-79	0	0	0	110.5	G37	G37-D78 WeakPolarHBondContact CA-O 3.12Å
79	C	70.8	Confident	66.7	Low	15 Å²	15	51.9 Å²	51.9	10%	0.101	32%	0.323	C	S	.	.			trans	-96.8	120.5	-177.3	-176.7	0	0	0	0	112.6	C40 C81	C40-C79 WeakPolarHBondContact CA-SG 3.37Å; C40-C79 HydrophobicContact CB-CB 4.06Å; C40-C79 WeakPolarHBondContact CB-SG 3.4Å; C40-C79 WeakPolarHBondContact SG-CA 3.29Å; C40-C79 WeakPolarHBondContact SG-CB 3.04Å; C40-C79 CovalentContact SG-SG 2.04Å; C40-C79 PolarHBondContact SG-SG 2.78Å; C79-C81 PolarHBondContact SG-SG 3.4Å
80	K	76.1	Confident	66.3	Low	141 Å²	141	51.9 Å²	51.9	61%	0.613	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	101.9	177.9	177.4	177.6	159.9	-149.5	0	109.4	E36	E36-K80 HydrophobicContact CB-CB 4.31Å; E36-K80 PolarHBondContact N-O 3.14Å; E36-K80 PolarHBondContact O-N 3.26Å; E36-K80 WeakPolarHBondContact OE2-CD 3.04Å; E36-K80 VanDerWaalsContact OE2-CE 3.29Å; E36-K80 WeakPolarHBondContact OE2-CE 3.4Å; E36-K80 IonicContact OE2-NZ 2.61Å; E36-K80 PolarHBondContact OE2-NZ 2.74Å
81	C	76.2	Confident	66	Low	23 Å²	23	54 Å²	54	16%	0.155	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	146.9	178.4	-54.8	0	0	0	0	111	T34 C42 T72 S74 C79	T34-C81 CarbonylContact O-C 3.54Å; T34-C81 WeakPolarHBondContact O-CA 3.11Å; C42-C81 WeakPolarHBondContact CA-SG 3.49Å; C42-C81 HydrophobicContact CB-CB 3.75Å; C42-C81 WeakPolarHBondContact CB-SG 3.17Å; C42-C81 WeakPolarHBondContact SG-CB 3.46Å; C42-C81 CovalentContact SG-SG 2.02Å; C42-C81 PolarHBondContact SG-SG 2.66Å; T72-C81 HydrophobicContact CG2-CB 3.42Å; T72-C81 VanDerWaalsContact CG2-CB 3.42Å; S74-C81 WeakPolarHBondContact CB-SG 3.33Å; C79-C81 PolarHBondContact SG-SG 3.4Å
82	S	75.6	Confident	65.3	Low	54 Å²	54	55.3 Å²	55.3	38%	0.378	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148.2	163.3	88.8	0	0	0	0	112.4	M33 T34	M33-S82 WeakPolarHBondContact CA-O 3.44Å; T34-S82 PolarHBondContact N-O 3.25Å; T34-S82 PolarHBondContact O-N 3.12Å; T34-S82 PolarHBondContact OG1-OG 3.25Å
83	C	75.6	Confident	64.8	Low	4 Å²	4	53.9 Å²	53.9	3%	0.027	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.7	-175.6	-63.6	0	0	0	0	110.5	R32 C44 V70 T72 Y276	R32-C83 WeakPolarHBondContact O-CA 3.35Å; C44-C83 WeakPolarHBondContact CA-SG 3.47Å; C44-C83 HydrophobicContact CB-CB 3.83Å; C44-C83 WeakPolarHBondContact CB-SG 3.42Å; C44-C83 WeakPolarHBondContact SG-CB 3.46Å; C44-C83 CovalentContact SG-SG 2.03Å; C44-C83 PolarHBondContact SG-SG 2.85Å; V70-C83 HydrophobicContact CG1-CB 3.58Å; T72-C83 PolarHBondContact OG1-SG 3.43Å; T72-C83 VanDerWaalsContact OG1-SG 3.32Å; C83-Y276 PolarHBondContact O-OH 3.38Å
84	T	67.8	Low	64.1	Low	77 Å²	77	56 Å²	56	47%	0.472	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	117.6	-177.9	-51.9	0	0	0	0	110.3	R32	R32-T84 PolarHBondContact N-O 2.79Å; R32-T84 PolarHBondContact O-N 2.62Å
85	A	61.3	Low	63.3	Low	11 Å²	11	58.6 Å²	58.6	9%	0.091	35%	0.351	C	S	.	.			trans	-91.6	134.6	176.4	0	0	0	0	0	110.8	V31 M46 Y68 V70 L90	V31-A85 HydrophobicContact CG1-CB 4.46Å; V31-A85 HydrophobicContact CG2-CB 4.13Å; M46-A85 HydrophobicContact SD-CB 3.62Å; Y68-A85 HydrophobicContact CE2-CB 4.18Å; V70-A85 HydrophobicContact CG2-CB 4.24Å; A85-L90 HydrophobicContact CB-CD2 3.86Å
86	P	59.3	Low	62.7	Low	11 Å²	11	59.4 Å²	59.4	7%	0.071	35%	0.347	C	S	.	.			trans	-76.3	156	179.2	29.6	-32	0	0	0	112.3	E29 S88 S89 L90	E29-P86 HydrophobicContact CB-CB 4.14Å; E29-P86 HydrophobicContact CB-CG 3.66Å; E29-P86 HydrophobicContact CG-CB 4.24Å; E29-P86 HydrophobicContact CG-CG 3.91Å; E29-P86 WeakPolarHBondContact O-CG 3.49Å; E29-P86 WeakPolarHBondContact OE2-CB 3.32Å; P86-S88 VanDerWaalsContact C-N 3.27Å; P86-S88 PolarHBondContact O-N 2.96Å; P86-S88 VanDerWaalsContact O-N 3.12Å; P86-S89 PolarHBondContact O-N 2.75Å; P86-S89 VanDerWaalsContact O-N 3.09Å; P86-S89 PolarHBondContact O-OG 2.9Å; P86-L90 WeakPolarHBondContact O-CG 3.38Å
87	P	53.7	Low	62.4	Low	113 Å²	113	61 Å²	61	73%	0.734	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-57	-30	-172.3	-28.7	36.9	0	0	0	116.1	S89 L90	P87-S89 VanDerWaalsContact C-N 3.3Å; P87-S89 PolarHBondContact O-N 3.36Å; P87-L90 WeakPolarHBondContact O-CB 3.35Å; P87-L90 WeakPolarHBondContact O-CG 3.31Å; P87-L90 PolarHBondContact O-N 2.75Å
88	S	52.1	Low	61.8	Low	69 Å²	69	61.4 Å²	61.4	48%	0.483	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-70.8	-22.7	-180	57.7	0	0	0	0	113.6	D27 P86 L90	D27-S88 WeakPolarHBondContact O-CB 3.27Å; D27-S88 PolarHBondContact O-OG 2.83Å; P86-S88 VanDerWaalsContact C-N 3.27Å; P86-S88 PolarHBondContact O-N 2.96Å; P86-S88 VanDerWaalsContact O-N 3.12Å; S88-L90 VanDerWaalsContact C-N 3.27Å; S88-L90 PolarHBondContact O-N 3.46Å
89	S	52.1	Low	61.2	Low	27 Å²	27	62.4 Å²	62.4	19%	0.189	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-77.7	-9.1	176.4	-39.5	0	0	0	0	113.6	E29 P86 P87	E29-S89 PolarHBondContact O-OG 2.82Å; P86-S89 PolarHBondContact O-N 2.75Å; P86-S89 VanDerWaalsContact O-N 3.09Å; P86-S89 PolarHBondContact O-OG 2.9Å; P87-S89 VanDerWaalsContact C-N 3.3Å; P87-S89 PolarHBondContact O-N 3.36Å
90	L	53	Low	60.6	Low	39 Å²	39	65.8 Å²	65.8	20%	0.204	35%	0.352	C	S	.	.	S	Bend	trans	-89.8	-3.8	-158.7	-51.8	-171.7	0	0	0	115.6	Y68 A85 P86 P87 S88	Y68-L90 HydrophobicContact CD1-CB 4.22Å; Y68-L90 HydrophobicContact CD1-CD2 3.98Å; Y68-L90 HydrophobicContact CD1-CG 4.47Å; Y68-L90 HydrophobicContact CD2-CD2 3.96Å; Y68-L90 HydrophobicContact CE1-CB 4.08Å; Y68-L90 HydrophobicContact CE1-CD1 3.71Å; Y68-L90 HydrophobicContact CE1-CD2 3.61Å; Y68-L90 HydrophobicContact CE1-CG 3.98Å; Y68-L90 HydrophobicContact CE2-CD2 3.56Å; Y68-L90 HydrophobicContact CG-CD2 4.18Å; A85-L90 HydrophobicContact CB-CD2 3.86Å; P86-L90 WeakPolarHBondContact O-CG 3.38Å; P87-L90 WeakPolarHBondContact O-CB 3.35Å; P87-L90 WeakPolarHBondContact O-CG 3.31Å; P87-L90 PolarHBondContact O-N 2.75Å; S88-L90 VanDerWaalsContact C-N 3.27Å; S88-L90 PolarHBondContact O-N 3.46Å
91	N	56.4	Low	59.6	Low	58 Å²	58	65.5 Å²	65.5	31%	0.31	35%	0.35	S	S	.	.			trans	-134	71.3	179.7	-164	9.6	0	0	0	114.2	C93 E94	N91-C93 PolarHBondContact O-N 2.99Å; N91-C93 VanDerWaalsContact O-N 3.11Å; N91-C93 WeakPolarHBondContact OD1-CB 3.44Å; N91-E94 PolarHBondContact ND2-OE2 3.01Å; N91-E94 PolarHBondContact O-N 2.67Å
92	P	52.1	Low	58.6	Low	63 Å²	63	69.8 Å²	69.8	41%	0.409	37%	0.371	S	S	.	.	H	α-helix	trans	-55.7	-28.9	175.7	-24.8	34.5	0	0	0	113.9	E94	P92-E94 VanDerWaalsContact C-N 3.27Å; P92-E94 PolarHBondContact O-N 2.85Å
93	C	59.7	Low	57.7	Low	1 Å²	1	73.1 Å²	73.1	1%	0.007	38%	0.379	C	S	.	.	H	α-helix	trans	-61.1	-33.6	-177.9	-44.3	0	0	0	0	113	C54 N91 N95 E96 W97	C54-C93 WeakPolarHBondContact CA-SG 3.49Å; C54-C93 HydrophobicContact CB-CB 3.6Å; C54-C93 WeakPolarHBondContact CB-SG 3.49Å; C54-C93 WeakPolarHBondContact SG-CB 3.5Å; C54-C93 CovalentContact SG-SG 2.03Å; C54-C93 PolarHBondContact SG-SG 2.92Å; N91-C93 PolarHBondContact O-N 2.99Å; N91-C93 VanDerWaalsContact O-N 3.11Å; N91-C93 WeakPolarHBondContact OD1-CB 3.44Å; C93-N95 PolarHBondContact O-N 3.24Å; C93-E96 PolarHBondContact O-N 2.95Å; C93-W97 HydrophobicContact CB-CD2 4.4Å; C93-W97 HydrophobicContact CB-CE3 4.4Å; C93-W97 HydrophobicContact CB-CH2 3.52Å; C93-W97 HydrophobicContact CB-CZ2 3.51Å; C93-W97 HydrophobicContact CB-CZ3 3.98Å; C93-W97 VanDerWaalsContact O-CG 3.25Å; C93-W97 PolarHBondContact O-N 2.89Å; C93-W97 VanDerWaalsContact O-N 3.1Å
94	E	59.6	Low	56.9	Low	116 Å²	116	80.8 Å²	80.8	54%	0.542	41%	0.412	S	S	.	.	H	α-helix	trans	-68.8	-35.8	-172.2	-159	162.5	166.9	0	0	112.3	N91 P92 W97 K98	N91-E94 PolarHBondContact ND2-OE2 3.01Å; N91-E94 PolarHBondContact O-N 2.67Å; P92-E94 VanDerWaalsContact C-N 3.27Å; P92-E94 PolarHBondContact O-N 2.85Å; E94-W97 PolarHBondContact O-N 2.65Å; E94-K98 WeakPolarHBondContact O-CB 3.44Å; E94-K98 PolarHBondContact O-N 3.47Å
95	N	56.3	Low	56.3	Low	91 Å²	91	83.9 Å²	83.9	49%	0.487	42%	0.421	S	S	.	.	H	α-helix	trans	-70.1	-40	176	-71.6	-33.1	0	0	0	112	C93 W97 K98 M99	C93-N95 PolarHBondContact O-N 3.24Å; N95-W97 VanDerWaalsContact C-N 3.32Å; N95-W97 PolarHBondContact O-N 3.36Å; N95-K98 PolarHBondContact O-N 3Å; N95-M99 PolarHBondContact O-N 3.28Å
96	E	56.2	Low	55.9	Low	91 Å²	91	85.1 Å²	85.1	43%	0.425	43%	0.431	S	S	.	.	H	α-helix	trans	-56.7	-46.3	170.3	-86.8	-150.4	134	0	0	110.9	K51 C93 M99 E100	K51-E96 IonicContact NZ-OE1 2.76Å; K51-E96 PolarHBondContact NZ-OE1 3.28Å; K51-E96 IonicContact NZ-OE2 2.61Å; K51-E96 PolarHBondContact NZ-OE2 2.79Å; C93-E96 PolarHBondContact O-N 2.95Å; E96-M99 WeakPolarHBondContact O-CB 3.34Å; E96-M99 PolarHBondContact O-N 2.95Å; E96-E100 PolarHBondContact O-N 2.84Å
97	W	61.2	Low	55.7	Low	59 Å²	59	87.7 Å²	87.7	22%	0.223	45%	0.448	C	S	.	.	H	α-helix	trans	-70.8	-32.4	-178.3	-56.8	-27.5	0	0	0	113.3	C54 R58 C93 E94 N95 M99 E100 K101	C54-W97 HydrophobicContact CB-CZ2 3.89Å; C54-W97 WeakPolarHBondContact O-CH2 3.23Å; C54-W97 VanDerWaalsContact O-CZ2 3.22Å; C54-W97 WeakPolarHBondContact O-CZ2 3.42Å; R58-W97 HydrophobicContact CB-CH2 3.8Å; R58-W97 HydrophobicContact CB-CZ2 3.92Å; R58-W97 HydrophobicContact CB-CZ3 4.46Å; R58-W97 HydrophobicContact CG-CH2 4.25Å; R58-W97 HydrophobicContact CG-CZ2 4.38Å; R58-W97 HydrophobicContact CG-CZ3 4.47Å; C93-W97 HydrophobicContact CB-CD2 4.4Å; C93-W97 HydrophobicContact CB-CE3 4.4Å; C93-W97 HydrophobicContact CB-CH2 3.52Å; C93-W97 HydrophobicContact CB-CZ2 3.51Å; C93-W97 HydrophobicContact CB-CZ3 3.98Å; C93-W97 VanDerWaalsContact O-CG 3.25Å; C93-W97 PolarHBondContact O-N 2.89Å; C93-W97 VanDerWaalsContact O-N 3.1Å; E94-W97 PolarHBondContact O-N 2.65Å; N95-W97 VanDerWaalsContact C-N 3.32Å; N95-W97 PolarHBondContact O-N 3.36Å; W97-M99 VanDerWaalsContact C-N 3.31Å; W97-E100 PolarHBondContact O-N 2.93Å; W97-K101 WeakPolarHBondContact O-CB 3.49Å; W97-K101 PolarHBondContact O-N 2.72Å
98	K	55.3	Low	55.9	Low	100 Å²	100	87.4 Å²	87.4	44%	0.435	44%	0.436	S	S	.	.	H	α-helix	trans	-61	-44	171.7	-154.7	173.9	-170.4	177.2	0	110	I24 E94 N95 L102	I24-K98 PolarHBondContact O-NZ 2.97Å; E94-K98 WeakPolarHBondContact O-CB 3.44Å; E94-K98 PolarHBondContact O-N 3.47Å; N95-K98 PolarHBondContact O-N 3Å; K98-L102 WeakPolarHBondContact O-CG 3.4Å; K98-L102 PolarHBondContact O-N 2.93Å; K98-L102 VanDerWaalsContact O-N 3.11Å
99	M	54.3	Low	55.9	Low	148 Å²	148	90.1 Å²	90.1	73%	0.729	45%	0.445	S	S	*	.	H	α-helix	trans	-66.6	-42.9	175.2	-143.6	-177.5	-151.9	0	0	112.5	N95 E96 W97 L102 K103	N95-M99 PolarHBondContact O-N 3.28Å; E96-M99 WeakPolarHBondContact O-CB 3.34Å; E96-M99 PolarHBondContact O-N 2.95Å; W97-M99 VanDerWaalsContact C-N 3.31Å; M99-L102 WeakPolarHBondContact O-CB 3.49Å; M99-L102 PolarHBondContact O-N 2.86Å; M99-K103 WeakPolarHBondContact O-CB 3.36Å; M99-K103 PolarHBondContact O-N 2.96Å
100	E	58.7	Low	55.9	Low	85 Å²	85	93.1 Å²	93.1	40%	0.397	46%	0.458	S	S	.	.	H	α-helix	trans	-74.3	-25.2	179.2	-171.6	147.6	-116.4	0	0	113.2	E96 W97 K104	E96-E100 PolarHBondContact O-N 2.84Å; W97-E100 PolarHBondContact O-N 2.93Å; E100-K104 WeakPolarHBondContact O-CG 3.35Å; E100-K104 PolarHBondContact O-N 2.79Å; E100-K104 VanDerWaalsContact O-N 3.14Å
101	K	56.1	Low	55.9	Low	135 Å²	135	96.1 Å²	96.1	59%	0.587	47%	0.47	S	S	*	.	H	α-helix	trans	-69.1	-45.1	169	-173	177.5	178.1	-177.5	0	110.9	W97 K103 K104 Q105	W97-K101 WeakPolarHBondContact O-CB 3.49Å; W97-K101 PolarHBondContact O-N 2.72Å; K101-K103 VanDerWaalsContact C-N 3.34Å; K101-K103 PolarHBondContact O-N 3.2Å; K101-K104 PolarHBondContact O-N 2.96Å; K101-K104 VanDerWaalsContact O-N 3.13Å; K101-Q105 VanDerWaalsContact CE-OE1 3.26Å; K101-Q105 WeakPolarHBondContact O-CG 3.35Å; K101-Q105 PolarHBondContact O-N 3.44Å
102	L	53.7	Low	55.7	Low	113 Å²	113	99 Å²	99	59%	0.592	49%	0.485	S	S	*	.	H	α-helix	trans	-57.8	-45.8	171.2	-74.4	163.8	0	0	0	111.5	K98 M99 K104 Q105 A106	K98-L102 WeakPolarHBondContact O-CG 3.4Å; K98-L102 PolarHBondContact O-N 2.93Å; K98-L102 VanDerWaalsContact O-N 3.11Å; M99-L102 WeakPolarHBondContact O-CB 3.49Å; M99-L102 PolarHBondContact O-N 2.86Å; L102-K104 PolarHBondContact O-N 3.42Å; L102-Q105 PolarHBondContact O-N 2.92Å; L102-A106 PolarHBondContact O-N 2.83Å
103	K	56.6	Low	55.6	Low	125 Å²	125	100.9 Å²	100.9	54%	0.543	49%	0.488	S	S	.	.	H	α-helix	trans	-57.2	-28.1	175.3	-171.6	173.7	-175.5	-179.1	0	113.9	M99 K101 L110	M99-K103 WeakPolarHBondContact O-CB 3.36Å; M99-K103 PolarHBondContact O-N 2.96Å; K101-K103 VanDerWaalsContact C-N 3.34Å; K101-K103 PolarHBondContact O-N 3.2Å; K103-L110 HydrophobicContact CG-CD1 3.76Å
104	K	58.7	Low	55.4	Low	165 Å²	165	103.9 Å²	103.9	72%	0.717	51%	0.509	S	S	*	.	H	α-helix	trans	-90	-26.5	174.5	-73.1	179.6	-179.1	-178.8	0	113.9	E100 K101 L102	E100-K104 WeakPolarHBondContact O-CG 3.35Å; E100-K104 PolarHBondContact O-N 2.79Å; E100-K104 VanDerWaalsContact O-N 3.14Å; K101-K104 PolarHBondContact O-N 2.96Å; K101-K104 VanDerWaalsContact O-N 3.13Å; L102-K104 PolarHBondContact O-N 3.42Å
105	Q	55.3	Low	55.1	Low	142 Å²	142	103.7 Å²	103.7	66%	0.664	51%	0.509	S	S	*	.	H	α-helix	trans	-85.1	-23.1	178.3	-71.6	-171.4	-109.5	0	0	113.4	K101 L102	K101-Q105 VanDerWaalsContact CE-OE1 3.26Å; K101-Q105 WeakPolarHBondContact O-CG 3.35Å; K101-Q105 PolarHBondContact O-N 3.44Å; L102-Q105 PolarHBondContact O-N 2.92Å
106	A	53.8	Low	55.3	Low	37 Å²	37	102.4 Å²	102.4	31%	0.306	50%	0.504	S	S	.	.			trans	-130	60	-177.6	0	0	0	0	0	113.9	L102 E108 L109	L102-A106 PolarHBondContact O-N 2.83Å; A106-E108 VanDerWaalsContact C-N 3.28Å; A106-E108 PolarHBondContact O-N 3.23Å; A106-L109 HydrophobicContact CB-CB 4.33Å; A106-L109 HydrophobicContact CB-CD1 4.24Å; A106-L109 PolarHBondContact O-N 3.08Å
107	P	55.4	Low	55.1	Low	64 Å²	64	102.1 Å²	102.1	42%	0.416	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-29.6	-179.8	27.2	-35.3	0	0	0	113.6	L109 L110 K111	P107-L109 VanDerWaalsContact C-N 3.32Å; P107-L109 PolarHBondContact O-N 3.01Å; P107-L110 PolarHBondContact O-N 2.92Å; P107-K111 PolarHBondContact O-N 2.98Å; P107-K111 VanDerWaalsContact O-N 3.11Å
108	E	57.8	Low	54.8	Low	107 Å²	107	104.9 Å²	104.9	50%	0.5	53%	0.525	S	S	.	.	H	α-helix	trans	-68	-29.4	179.7	-54.1	-50.7	113.9	0	0	113	A106 L110 K111 L112	A106-E108 VanDerWaalsContact C-N 3.28Å; A106-E108 PolarHBondContact O-N 3.23Å; E108-L110 VanDerWaalsContact C-N 3.34Å; E108-L110 PolarHBondContact O-N 3.39Å; E108-K111 WeakPolarHBondContact O-CB 3.43Å; E108-K111 PolarHBondContact O-N 3.42Å; E108-K111 WeakPolarHBondContact OE1-CE 3.15Å; E108-K111 IonicContact OE1-NZ 3.98Å; E108-K111 PolarHBondContact OE1-NZ 2.91Å; E108-K111 WeakPolarHBondContact OE2-CD 3.39Å; E108-K111 IonicContact OE2-NZ 2.69Å; E108-K111 PolarHBondContact OE2-NZ 3.32Å; E108-L112 PolarHBondContact O-N 2.85Å
109	L	50.8	Low	54.7	Low	126 Å²	126	105.1 Å²	105.1	66%	0.66	53%	0.53	S	S	*	.	H	α-helix	trans	-67.1	-36.4	177.3	-113.1	158.2	0	0	0	111.7	A106 P107 L112 Q113	A106-L109 HydrophobicContact CB-CB 4.33Å; A106-L109 HydrophobicContact CB-CD1 4.24Å; A106-L109 PolarHBondContact O-N 3.08Å; P107-L109 VanDerWaalsContact C-N 3.32Å; P107-L109 PolarHBondContact O-N 3.01Å; L109-L112 PolarHBondContact O-N 3.39Å; L109-Q113 PolarHBondContact O-N 2.9Å
110	L	53.1	Low	54.8	Low	90 Å²	90	102.8 Å²	102.8	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-77.1	-29	173.6	-78.4	163.1	0	0	0	112.7	K103 P107 E108 S114	K103-L110 HydrophobicContact CG-CD1 3.76Å; P107-L110 PolarHBondContact O-N 2.92Å; E108-L110 VanDerWaalsContact C-N 3.34Å; E108-L110 PolarHBondContact O-N 3.39Å; L110-S114 WeakPolarHBondContact O-CB 3.44Å; L110-S114 PolarHBondContact O-N 3.1Å; L110-S114 PolarHBondContact O-OG 3.49Å
111	K	53	Low	54.5	Low	103 Å²	103	101 Å²	101	45%	0.448	52%	0.521	S	S	.	.	H	α-helix	trans	-61.4	-47.4	165	-69	-179.4	-169.1	162.7	0	110.4	P107 E108 Q113 S114 M115	P107-K111 PolarHBondContact O-N 2.98Å; P107-K111 VanDerWaalsContact O-N 3.11Å; E108-K111 WeakPolarHBondContact O-CB 3.43Å; E108-K111 PolarHBondContact O-N 3.42Å; E108-K111 WeakPolarHBondContact OE1-CE 3.15Å; E108-K111 IonicContact OE1-NZ 3.98Å; E108-K111 PolarHBondContact OE1-NZ 2.91Å; E108-K111 WeakPolarHBondContact OE2-CD 3.39Å; E108-K111 IonicContact OE2-NZ 2.69Å; E108-K111 PolarHBondContact OE2-NZ 3.32Å; K111-Q113 PolarHBondContact O-N 2.9Å; K111-S114 PolarHBondContact O-N 2.81Å; K111-S114 PolarHBondContact O-OG 3.37Å; K111-S114 VanDerWaalsContact O-OG 3.13Å; K111-M115 VanDerWaalsContact O-CB 3.25Å; K111-M115 WeakPolarHBondContact O-CB 3.2Å; K111-M115 VanDerWaalsContact O-CG 3.23Å; K111-M115 WeakPolarHBondContact O-CG 3.41Å; K111-M115 PolarHBondContact O-N 3.16Å
112	L	52.2	Low	54.4	Low	118 Å²	118	98 Å²	98	62%	0.618	51%	0.514	S	S	*	.	H	α-helix	trans	-58	-50.5	176.9	-114.2	78.2	0	0	0	111.5	E108 L109 S114 M115 V116	E108-L112 PolarHBondContact O-N 2.85Å; L109-L112 PolarHBondContact O-N 3.39Å; L112-S114 PolarHBondContact O-N 3.09Å; L112-M115 PolarHBondContact O-N 3.18Å; L112-V116 WeakPolarHBondContact O-CB 3.44Å; L112-V116 WeakPolarHBondContact O-CG2 3.45Å; L112-V116 PolarHBondContact O-N 3.32Å
113	Q	49.1	Very low	54.3	Low	102 Å²	102	97.6 Å²	97.6	48%	0.477	51%	0.512	S	S	.	.	H	α-helix	trans	-59.8	-49.8	177.8	-171.2	62.5	50.4	0	0	111.6	L109 K111 M115 V116 D117	L109-Q113 PolarHBondContact O-N 2.9Å; K111-Q113 PolarHBondContact O-N 2.9Å; Q113-M115 VanDerWaalsContact C-N 3.28Å; Q113-M115 PolarHBondContact O-N 3.38Å; Q113-V116 CarbonylContact O-C 3.49Å; Q113-V116 WeakPolarHBondContact O-CA 3.13Å; Q113-V116 WeakPolarHBondContact O-CB 3.29Å; Q113-V116 PolarHBondContact O-N 3.29Å; Q113-V116 VanDerWaalsContact O-N 3.09Å; Q113-D117 PolarHBondContact NE2-OD1 2.95Å; Q113-D117 PolarHBondContact O-N 3.01Å
114	S	56.8	Low	53.9	Low	64 Å²	64	97.7 Å²	97.7	45%	0.448	51%	0.51	S	S	.	.	H	α-helix	trans	-66.8	-26.7	179.8	61.8	0	0	0	0	113.9	L110 K111 L112 L118	L110-S114 WeakPolarHBondContact O-CB 3.44Å; L110-S114 PolarHBondContact O-N 3.1Å; L110-S114 PolarHBondContact O-OG 3.49Å; K111-S114 PolarHBondContact O-N 2.81Å; K111-S114 PolarHBondContact O-OG 3.37Å; K111-S114 VanDerWaalsContact O-OG 3.13Å; L112-S114 PolarHBondContact O-N 3.09Å; S114-L118 WeakPolarHBondContact O-CB 3.36Å; S114-L118 PolarHBondContact O-N 2.98Å
115	M	52.5	Low	53.5	Low	112 Å²	112	91.9 Å²	91.9	55%	0.552	49%	0.49	S	S	*	.	H	α-helix	trans	-77	-32.6	171.3	-72.9	-178.9	68.2	0	0	112	K111 L112 Q113 L119	K111-M115 VanDerWaalsContact O-CB 3.25Å; K111-M115 WeakPolarHBondContact O-CB 3.2Å; K111-M115 VanDerWaalsContact O-CG 3.23Å; K111-M115 WeakPolarHBondContact O-CG 3.41Å; K111-M115 PolarHBondContact O-N 3.16Å; L112-M115 PolarHBondContact O-N 3.18Å; Q113-M115 VanDerWaalsContact C-N 3.28Å; Q113-M115 PolarHBondContact O-N 3.38Å; M115-L119 WeakPolarHBondContact O-CB 3.36Å; M115-L119 WeakPolarHBondContact O-CD1 3.22Å; M115-L119 WeakPolarHBondContact O-CG 3.41Å; M115-L119 PolarHBondContact O-N 3.32Å
116	V	60.9	Low	53.4	Low	64 Å²	64	91.8 Å²	91.8	39%	0.388	49%	0.492	S	S	.	.	H	α-helix	trans	-66.7	-50	168.9	169.2	0	0	0	0	109.8	L112 Q113 L118 L119 E120	L112-V116 WeakPolarHBondContact O-CB 3.44Å; L112-V116 WeakPolarHBondContact O-CG2 3.45Å; L112-V116 PolarHBondContact O-N 3.32Å; Q113-V116 CarbonylContact O-C 3.49Å; Q113-V116 WeakPolarHBondContact O-CA 3.13Å; Q113-V116 WeakPolarHBondContact O-CB 3.29Å; Q113-V116 PolarHBondContact O-N 3.29Å; Q113-V116 VanDerWaalsContact O-N 3.09Å; V116-L118 PolarHBondContact O-N 2.85Å; V116-L119 CarbonylContact O-C 3.52Å; V116-L119 PolarHBondContact O-N 2.81Å; V116-L119 VanDerWaalsContact O-N 3.1Å; V116-E120 HydrophobicContact CG1-CG 4.34Å; V116-E120 WeakPolarHBondContact O-CB 3.38Å; V116-E120 WeakPolarHBondContact O-CG 3.43Å; V116-E120 PolarHBondContact O-N 3.16Å
117	D	51.3	Low	53.3	Low	86 Å²	86	94.5 Å²	94.5	46%	0.46	50%	0.501	S	S	.	.	H	α-helix	trans	-57.8	-35.5	176.4	-58.6	-22.5	0	0	0	111.9	Q113 G121	Q113-D117 PolarHBondContact NE2-OD1 2.95Å; Q113-D117 PolarHBondContact O-N 3.01Å; D117-G121 WeakPolarHBondContact O-CA 3.5Å; D117-G121 PolarHBondContact O-N 2.03Å
118	L	55.9	Low	53.3	Low	117 Å²	117	96.3 Å²	96.3	61%	0.613	51%	0.507	S	S	*	.	H	α-helix	trans	-79.1	-34.5	176.3	-175.9	63.4	0	0	0	112.9	S114 V116 T122	S114-L118 WeakPolarHBondContact O-CB 3.36Å; S114-L118 PolarHBondContact O-N 2.98Å; V116-L118 PolarHBondContact O-N 2.85Å; L118-T122 WeakPolarHBondContact O-CB 3.39Å; L118-T122 WeakPolarHBondContact O-CG2 3.33Å; L118-T122 PolarHBondContact O-N 3.49Å; L118-T122 PolarHBondContact O-OG1 2.91Å
119	L	52.6	Low	53.1	Low	104 Å²	104	97 Å²	97	55%	0.545	51%	0.513	S	S	.	.	H	α-helix	trans	-71.4	-40.3	173.9	-78.6	166.5	0	0	0	111.1	M115 V116 T122 L123	M115-L119 WeakPolarHBondContact O-CB 3.36Å; M115-L119 WeakPolarHBondContact O-CD1 3.22Å; M115-L119 WeakPolarHBondContact O-CG 3.41Å; M115-L119 PolarHBondContact O-N 3.32Å; V116-L119 CarbonylContact O-C 3.52Å; V116-L119 PolarHBondContact O-N 2.81Å; V116-L119 VanDerWaalsContact O-N 3.1Å; L119-T122 WeakPolarHBondContact CA-OG1 3.43Å; L119-T122 PolarHBondContact O-N 2.66Å; L119-T122 PolarHBondContact O-OG1 3.06Å; L119-T122 VanDerWaalsContact O-OG1 3.14Å; L119-L123 WeakPolarHBondContact O-CB 3.37Å; L119-L123 PolarHBondContact O-N 2.89Å
120	E	55.8	Low	53.4	Low	100 Å²	100	94.6 Å²	94.6	47%	0.467	50%	0.497	S	S	.	.	H	α-helix	trans	-63.9	-47.7	168.2	-71.4	-163.2	154.8	0	0	110.4	V116 T122 L123 Y124	V116-E120 HydrophobicContact CG1-CG 4.34Å; V116-E120 WeakPolarHBondContact O-CB 3.38Å; V116-E120 WeakPolarHBondContact O-CG 3.43Å; V116-E120 PolarHBondContact O-N 3.16Å; E120-T122 PolarHBondContact O-N 2.87Å; E120-T122 VanDerWaalsContact O-N 3.08Å; E120-L123 PolarHBondContact O-N 2.86Å; E120-Y124 HydrophobicContact CB-CD2 3.93Å; E120-Y124 HydrophobicContact CB-CE2 4.21Å; E120-Y124 HydrophobicContact CG-CD2 4.41Å; E120-Y124 HydrophobicContact CG-CE2 4.17Å; E120-Y124 WeakPolarHBondContact O-CA 3.01Å; E120-Y124 VanDerWaalsContact O-CB 3.27Å; E120-Y124 WeakPolarHBondContact O-CB 3.44Å; E120-Y124 VanDerWaalsContact O-CD2 3.26Å; E120-Y124 WeakPolarHBondContact O-CD2 3.46Å; E120-Y124 PolarHBondContact O-N 3.13Å
121	G	53.8	Low	53.6	Low	46 Å²	46	94 Å²	94	47%	0.474	50%	0.498	S	S	.	.	H	α-helix	trans	-59.9	-19.2	175.3	0	0	0	0	0	114.9	D117 S125	D117-G121 WeakPolarHBondContact O-CA 3.5Å; D117-G121 PolarHBondContact O-N 2.03Å; G121-S125 WeakPolarHBondContact O-CA 3.49Å; G121-S125 WeakPolarHBondContact O-CB 3.43Å; G121-S125 PolarHBondContact O-N 2.92Å
122	T	53.1	Low	53.6	Low	73 Å²	73	94.2 Å²	94.2	45%	0.448	50%	0.5	S	S	.	.	H	α-helix	trans	-99.1	-37.3	174.6	48.1	0	0	0	0	113.5	L118 L119 E120 S125	L118-T122 WeakPolarHBondContact O-CB 3.39Å; L118-T122 WeakPolarHBondContact O-CG2 3.33Å; L118-T122 PolarHBondContact O-N 3.49Å; L118-T122 PolarHBondContact O-OG1 2.91Å; L119-T122 WeakPolarHBondContact CA-OG1 3.43Å; L119-T122 PolarHBondContact O-N 2.66Å; L119-T122 PolarHBondContact O-OG1 3.06Å; L119-T122 VanDerWaalsContact O-OG1 3.14Å; E120-T122 PolarHBondContact O-N 2.87Å; E120-T122 VanDerWaalsContact O-N 3.08Å; T122-S125 WeakPolarHBondContact O-CB 3.33Å; T122-S125 PolarHBondContact O-N 2.88Å; T122-S125 PolarHBondContact O-OG 3.07Å
123	L	50.9	Low	54.1	Low	105 Å²	105	92.1 Å²	92.1	55%	0.55	50%	0.495	S	S	.	.	H	α-helix	trans	-64.7	-43.7	170.1	-108.9	71.5	0	0	0	112	L119 E120 S125	L119-L123 WeakPolarHBondContact O-CB 3.37Å; L119-L123 PolarHBondContact O-N 2.89Å; E120-L123 PolarHBondContact O-N 2.86Å; L123-S125 VanDerWaalsContact C-N 3.26Å
124	Y	49.8	Very low	54.8	Low	126 Å²	126	94.6 Å²	94.6	49%	0.494	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	17.6	175.1	-57.1	-67	0	0	0	112.2	E120 M126	E120-Y124 HydrophobicContact CB-CD2 3.93Å; E120-Y124 HydrophobicContact CB-CE2 4.21Å; E120-Y124 HydrophobicContact CG-CD2 4.41Å; E120-Y124 HydrophobicContact CG-CE2 4.17Å; E120-Y124 WeakPolarHBondContact O-CA 3.01Å; E120-Y124 VanDerWaalsContact O-CB 3.27Å; E120-Y124 WeakPolarHBondContact O-CB 3.44Å; E120-Y124 VanDerWaalsContact O-CD2 3.26Å; E120-Y124 WeakPolarHBondContact O-CD2 3.46Å; E120-Y124 PolarHBondContact O-N 3.13Å; Y124-M126 PolarHBondContact O-N 2.96Å
125	S	49.2	Very low	55.2	Low	43 Å²	43	95.7 Å²	95.7	30%	0.301	50%	0.501	S	S	.	.			trans	-56	142.6	175.6	59.1	0	0	0	0	110.8	G121 T122 L123 D127 L128	G121-S125 WeakPolarHBondContact O-CA 3.49Å; G121-S125 WeakPolarHBondContact O-CB 3.43Å; G121-S125 PolarHBondContact O-N 2.92Å; T122-S125 WeakPolarHBondContact O-CB 3.33Å; T122-S125 PolarHBondContact O-N 2.88Å; T122-S125 PolarHBondContact O-OG 3.07Å; L123-S125 VanDerWaalsContact C-N 3.26Å; S125-D127 PolarHBondContact O-N 2.88Å; S125-L128 PolarHBondContact O-N 3.32Å
126	M	53.6	Low	55.8	Low	140 Å²	140	94.1 Å²	94.1	69%	0.69	50%	0.495	S	S	*	.	H	α-helix	trans	-59.2	-16.4	-167.4	-160.4	175	73.4	0	0	114	Y124 K130	Y124-M126 PolarHBondContact O-N 2.96Å; M126-K130 WeakPolarHBondContact O-CE 3.03Å; M126-K130 VanDerWaalsContact O-CG 3.3Å; M126-K130 WeakPolarHBondContact O-CG 3.39Å
127	D	51	Low	56.3	Low	94 Å²	94	96.9 Å²	96.9	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-88.3	-21	178	-65.6	-42.6	0	0	0	114	S125 K130 V131	S125-D127 PolarHBondContact O-N 2.88Å; D127-K130 PolarHBondContact O-N 3.26Å; D127-K130 WeakPolarHBondContact OD1-CD 3.49Å; D127-K130 WeakPolarHBondContact OD1-CE 3.46Å; D127-K130 IonicContact OD1-NZ 3.81Å; D127-K130 PolarHBondContact OD1-NZ 3.07Å; D127-V131 WeakPolarHBondContact O-CB 3.18Å; D127-V131 VanDerWaalsContact O-CG2 3.27Å; D127-V131 WeakPolarHBondContact O-CG2 3.36Å; D127-V131 PolarHBondContact O-N 2.82Å
128	L	56.2	Low	57.1	Low	103 Å²	103	96.9 Å²	96.9	54%	0.539	50%	0.504	S	S	.	.	H	α-helix	trans	-76.2	-37.3	-179.9	-146.2	149.9	0	0	0	111.4	S125 V131 H132	S125-L128 PolarHBondContact O-N 3.32Å; L128-V131 PolarHBondContact O-N 2.84Å; L128-H132 PolarHBondContact O-N 2.95Å
129	L	53.8	Low	57.8	Low	121 Å²	121	94.4 Å²	94.4	63%	0.634	49%	0.494	S	S	*	.	H	α-helix	trans	-68.8	-34.2	168	-72	173.3	0	0	0	112.5	H132 S133	L129-H132 PolarHBondContact O-N 2.77Å; L129-S133 WeakPolarHBondContact O-CB 3.46Å; L129-S133 PolarHBondContact O-N 3.04Å
130	K	56.3	Low	58.5	Low	76 Å²	76	92.7 Å²	92.7	33%	0.33	49%	0.491	S	S	.	.	H	α-helix	trans	-64.1	-43.9	168.8	-74.3	176.8	-148.9	161.5	0	111.2	M126 D127 H132 S133 Y134	M126-K130 WeakPolarHBondContact O-CE 3.03Å; M126-K130 VanDerWaalsContact O-CG 3.3Å; M126-K130 WeakPolarHBondContact O-CG 3.39Å; D127-K130 PolarHBondContact O-N 3.26Å; D127-K130 WeakPolarHBondContact OD1-CD 3.49Å; D127-K130 WeakPolarHBondContact OD1-CE 3.46Å; D127-K130 IonicContact OD1-NZ 3.81Å; D127-K130 PolarHBondContact OD1-NZ 3.07Å; K130-H132 VanDerWaalsContact C-N 3.33Å; K130-H132 PolarHBondContact O-N 2.83Å; K130-S133 CarbonylContact O-C 3.57Å; K130-S133 WeakPolarHBondContact O-CA 3.43Å; K130-S133 WeakPolarHBondContact O-CB 3.41Å; K130-S133 PolarHBondContact O-N 2.93Å; K130-S133 VanDerWaalsContact O-N 3.11Å; K130-Y134 HydrophobicContact CB-CD2 4.09Å; K130-Y134 HydrophobicContact CB-CE2 4.01Å; K130-Y134 WeakPolarHBondContact O-CB 3.03Å; K130-Y134 WeakPolarHBondContact O-CD2 3.33Å; K130-Y134 PolarHBondContact O-N 2.98Å
131	V	58.1	Low	59.2	Low	78 Å²	78	93.5 Å²	93.5	47%	0.473	50%	0.495	S	S	.	.	H	α-helix	trans	-59.6	-44.4	177.3	162.4	0	0	0	0	110.1	D127 L128 S133 Y134 I135	D127-V131 WeakPolarHBondContact O-CB 3.18Å; D127-V131 VanDerWaalsContact O-CG2 3.27Å; D127-V131 WeakPolarHBondContact O-CG2 3.36Å; D127-V131 PolarHBondContact O-N 2.82Å; L128-V131 PolarHBondContact O-N 2.84Å; V131-S133 PolarHBondContact O-N 3.4Å; V131-Y134 PolarHBondContact O-N 3.21Å; V131-I135 HydrophobicContact CG1-CD1 3.66Å; V131-I135 HydrophobicContact CG1-CG1 4.38Å; V131-I135 WeakPolarHBondContact O-CB 3.39Å; V131-I135 WeakPolarHBondContact O-CG1 3.28Å; V131-I135 PolarHBondContact O-N 2.95Å
132	H	52.5	Low	59.7	Low	107 Å²	107	93.8 Å²	93.8	50%	0.495	48%	0.484	S	S	.	.	H	α-helix	trans	-63.8	-40.1	173	-167.9	57.7	0	0	0	112.5	L128 L129 K130 Y134 I135 N136	L128-H132 PolarHBondContact O-N 2.95Å; L129-H132 PolarHBondContact O-N 2.77Å; K130-H132 VanDerWaalsContact C-N 3.33Å; K130-H132 PolarHBondContact O-N 2.83Å; H132-Y134 PolarHBondContact O-N 3.16Å; H132-I135 PolarHBondContact O-N 2.85Å; H132-N136 PolarHBondContact CD2-ND2 3.46Å; H132-N136 PolarHBondContact CE1-ND2 3.4Å; H132-N136 PolarHBondContact CE1-OD1 3.39Å; H132-N136 PolarHBondContact NE2-ND2 2.86Å; H132-N136 WeakPolarHBondContact O-CB 3.36Å; H132-N136 PolarHBondContact O-N 3.4Å; H132-N136 PolarHBondContact O-OD1 3.19Å
133	S	62.8	Low	60.2	Low	74 Å²	74	94.3 Å²	94.3	52%	0.517	48%	0.484	S	S	.	.	H	α-helix	trans	-64.5	-37.1	173.9	-177.7	0	0	0	0	113.4	L129 K130 V131 K137	L129-S133 WeakPolarHBondContact O-CB 3.46Å; L129-S133 PolarHBondContact O-N 3.04Å; K130-S133 CarbonylContact O-C 3.57Å; K130-S133 WeakPolarHBondContact O-CA 3.43Å; K130-S133 WeakPolarHBondContact O-CB 3.41Å; K130-S133 PolarHBondContact O-N 2.93Å; K130-S133 VanDerWaalsContact O-N 3.11Å; V131-S133 PolarHBondContact O-N 3.4Å; S133-K137 WeakPolarHBondContact O-CB 3.34Å; S133-K137 PolarHBondContact O-N 2.89Å
134	Y	63.5	Low	61.3	Low	154 Å²	154	92.9 Å²	92.9	60%	0.604	48%	0.48	S	S	*	.	H	α-helix	trans	-74	-39.3	176.4	-76.9	-61	0	0	0	110.9	K130 V131 H132 K137 V138	K130-Y134 HydrophobicContact CB-CD2 4.09Å; K130-Y134 HydrophobicContact CB-CE2 4.01Å; K130-Y134 WeakPolarHBondContact O-CB 3.03Å; K130-Y134 WeakPolarHBondContact O-CD2 3.33Å; K130-Y134 PolarHBondContact O-N 2.98Å; V131-Y134 PolarHBondContact O-N 3.21Å; H132-Y134 PolarHBondContact O-N 3.16Å; Y134-K137 PolarHBondContact O-N 3.48Å; Y134-V138 WeakPolarHBondContact O-CB 3.49Å; Y134-V138 VanDerWaalsContact O-CG2 3.26Å; Y134-V138 WeakPolarHBondContact O-CG2 3.39Å; Y134-V138 PolarHBondContact O-N 2.84Å
135	I	66.1	Low	62.1	Low	86 Å²	86	91.6 Å²	91.6	44%	0.441	48%	0.481	S	S	.	.	H	α-helix	trans	-59.4	-52.6	171.5	-72.8	165.6	0	0	0	109.6	V131 H132 K137 V138 V139	V131-I135 HydrophobicContact CG1-CD1 3.66Å; V131-I135 HydrophobicContact CG1-CG1 4.38Å; V131-I135 WeakPolarHBondContact O-CB 3.39Å; V131-I135 WeakPolarHBondContact O-CG1 3.28Å; V131-I135 PolarHBondContact O-N 2.95Å; H132-I135 PolarHBondContact O-N 2.85Å; I135-K137 VanDerWaalsContact C-N 3.27Å; I135-K137 PolarHBondContact O-N 3.11Å; I135-V138 CarbonylContact O-C 3.57Å; I135-V138 PolarHBondContact O-N 3.47Å; I135-V138 VanDerWaalsContact O-N 3.13Å; I135-V139 HydrophobicContact CG2-CG2 4.34Å; I135-V139 WeakPolarHBondContact O-CB 3.5Å; I135-V139 WeakPolarHBondContact O-CG2 3.21Å; I135-V139 PolarHBondContact O-N 3.01Å
136	N	64.9	Low	62.7	Low	79 Å²	79	92.7 Å²	92.7	42%	0.422	48%	0.481	S	S	.	.	H	α-helix	trans	-64.9	-31.9	-179.4	-64.1	-6.1	0	0	0	112	H132 S140	H132-N136 PolarHBondContact CD2-ND2 3.46Å; H132-N136 PolarHBondContact CE1-ND2 3.4Å; H132-N136 PolarHBondContact CE1-OD1 3.39Å; H132-N136 PolarHBondContact NE2-ND2 2.86Å; H132-N136 WeakPolarHBondContact O-CB 3.36Å; H132-N136 PolarHBondContact O-N 3.4Å; H132-N136 PolarHBondContact O-OD1 3.19Å; N136-S140 VanDerWaalsContact O-CB 3.29Å; N136-S140 WeakPolarHBondContact O-CB 3.43Å; N136-S140 PolarHBondContact O-N 3.29Å
137	K	71.1	Confident	63.3	Low	123 Å²	123	92.1 Å²	92.1	54%	0.535	48%	0.477	S	S	.	.	H	α-helix	trans	-70.6	-40.3	172.7	-172.3	170.8	-176.7	174.7	0	112.5	S133 Y134 I135 S140 Q141	S133-K137 WeakPolarHBondContact O-CB 3.34Å; S133-K137 PolarHBondContact O-N 2.89Å; Y134-K137 PolarHBondContact O-N 3.48Å; I135-K137 VanDerWaalsContact C-N 3.27Å; I135-K137 PolarHBondContact O-N 3.11Å; K137-S140 PolarHBondContact O-N 3.01Å; K137-Q141 WeakPolarHBondContact O-CB 3.17Å; K137-Q141 VanDerWaalsContact O-CG 3.32Å; K137-Q141 WeakPolarHBondContact O-CG 3.46Å; K137-Q141 PolarHBondContact O-N 3.22Å
138	V	67.7	Low	63.9	Low	85 Å²	85	91.1 Å²	91.1	52%	0.515	47%	0.474	S	S	.	.	H	α-helix	trans	-66.9	-41.7	174.1	167.2	0	0	0	0	110.7	Y134 I135 Q141 M142	Y134-V138 WeakPolarHBondContact O-CB 3.49Å; Y134-V138 VanDerWaalsContact O-CG2 3.26Å; Y134-V138 WeakPolarHBondContact O-CG2 3.39Å; Y134-V138 PolarHBondContact O-N 2.84Å; I135-V138 CarbonylContact O-C 3.57Å; I135-V138 PolarHBondContact O-N 3.47Å; I135-V138 VanDerWaalsContact O-N 3.13Å; V138-Q141 PolarHBondContact O-N 3.27Å; V138-M142 WeakPolarHBondContact O-CB 2.89Å; V138-M142 PolarHBondContact O-N 3Å
139	V	71.6	Confident	64	Low	66 Å²	66	89.6 Å²	89.6	40%	0.4	47%	0.466	S	S	.	.	H	α-helix	trans	-61.7	-44.7	172.8	170	0	0	0	0	110.7	I135 Q141 M142 N143	I135-V139 HydrophobicContact CG2-CG2 4.34Å; I135-V139 WeakPolarHBondContact O-CB 3.5Å; I135-V139 WeakPolarHBondContact O-CG2 3.21Å; I135-V139 PolarHBondContact O-N 3.01Å; V139-Q141 PolarHBondContact O-N 3.09Å; V139-M142 PolarHBondContact O-N 2.76Å; V139-N143 WeakPolarHBondContact O-CB 3.43Å; V139-N143 PolarHBondContact O-N 3.23Å; V139-N143 PolarHBondContact O-OD1 2.98Å
140	S	67.4	Low	64.2	Low	68 Å²	68	90 Å²	90	48%	0.476	46%	0.463	S	S	.	.	H	α-helix	trans	-58.4	-49.1	173.6	169.2	0	0	0	0	112	N136 K137 M142 N143 T144	N136-S140 VanDerWaalsContact O-CB 3.29Å; N136-S140 WeakPolarHBondContact O-CB 3.43Å; N136-S140 PolarHBondContact O-N 3.29Å; K137-S140 PolarHBondContact O-N 3.01Å; S140-M142 VanDerWaalsContact C-N 3.31Å; S140-M142 PolarHBondContact O-N 3.23Å; S140-N143 PolarHBondContact O-N 3.5Å; S140-T144 PolarHBondContact O-N 3.22Å; S140-T144 PolarHBondContact O-OG1 2.94Å; S140-T144 VanDerWaalsContact O-OG1 3.06Å
141	Q	70.1	Confident	64.6	Low	117 Å²	117	91.5 Å²	91.5	55%	0.547	48%	0.478	S	S	.	.	H	α-helix	trans	-65.8	-32.6	177.3	-69.7	-178.3	-80.3	0	0	112.7	K137 V138 V139 L145	K137-Q141 WeakPolarHBondContact O-CB 3.17Å; K137-Q141 VanDerWaalsContact O-CG 3.32Å; K137-Q141 WeakPolarHBondContact O-CG 3.46Å; K137-Q141 PolarHBondContact O-N 3.22Å; V138-Q141 PolarHBondContact O-N 3.27Å; V139-Q141 PolarHBondContact O-N 3.09Å; Q141-L145 VanDerWaalsContact O-CB 3.28Å; Q141-L145 WeakPolarHBondContact O-CB 3.4Å; Q141-L145 PolarHBondContact O-N 2.77Å
142	M	64.8	Low	64.5	Low	51 Å²	51	93.7 Å²	93.7	25%	0.251	49%	0.488	S	S	.	.	H	α-helix	trans	-71.9	-37.5	176.2	-178	168.5	167.1	0	0	111.6	V138 V139 S140 L145 E146 M164 L167	V138-M142 WeakPolarHBondContact O-CB 2.89Å; V138-M142 PolarHBondContact O-N 3Å; V139-M142 PolarHBondContact O-N 2.76Å; S140-M142 VanDerWaalsContact C-N 3.31Å; S140-M142 PolarHBondContact O-N 3.23Å; M142-L145 PolarHBondContact O-N 2.84Å; M142-E146 VanDerWaalsContact O-CB 3.29Å; M142-E146 WeakPolarHBondContact O-CB 3.5Å; M142-E146 PolarHBondContact O-N 3Å; M142-M164 HydrophobicContact CE-CE 3.52Å; M142-M164 HydrophobicContact CE-SD 3.93Å; M142-L167 HydrophobicContact CE-CD2 4.4Å
143	N	63	Low	64.3	Low	85 Å²	85	92.4 Å²	92.4	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-65.8	-45.6	172.3	-67.6	-0.2	0	0	0	110.9	V139 S140 L145 E146 E147	V139-N143 WeakPolarHBondContact O-CB 3.43Å; V139-N143 PolarHBondContact O-N 3.23Å; V139-N143 PolarHBondContact O-OD1 2.98Å; S140-N143 PolarHBondContact O-N 3.5Å; N143-L145 VanDerWaalsContact C-N 3.29Å; N143-L145 PolarHBondContact O-N 2.68Å; N143-E146 WeakPolarHBondContact O-CB 3.37Å; N143-E146 PolarHBondContact O-N 2.57Å; N143-E146 VanDerWaalsContact O-N 3.12Å; N143-E147 PolarHBondContact O-N 3.03Å
144	T	73.6	Confident	64	Low	75 Å²	75	95 Å²	95	46%	0.46	50%	0.497	S	S	.	.	H	α-helix	trans	-61.4	-38.4	174.6	-52	0	0	0	0	111.7	S140 T148	S140-T144 PolarHBondContact O-N 3.22Å; S140-T144 PolarHBondContact O-OG1 2.94Å; S140-T144 VanDerWaalsContact O-OG1 3.06Å; T144-T148 WeakPolarHBondContact O-CB 3.36Å; T144-T148 PolarHBondContact O-N 2.89Å; T144-T148 PolarHBondContact O-OG1 2.91Å
145	L	66.1	Low	63.5	Low	99 Å²	99	96.8 Å²	96.8	52%	0.518	50%	0.502	S	S	.	.	H	α-helix	trans	-68.3	-38.4	173.5	-176.6	63.2	0	0	0	111.7	Q141 M142 N143 T148 I149	Q141-L145 VanDerWaalsContact O-CB 3.28Å; Q141-L145 WeakPolarHBondContact O-CB 3.4Å; Q141-L145 PolarHBondContact O-N 2.77Å; M142-L145 PolarHBondContact O-N 2.84Å; N143-L145 VanDerWaalsContact C-N 3.29Å; N143-L145 PolarHBondContact O-N 2.68Å; L145-T148 PolarHBondContact O-N 2.87Å; L145-I149 HydrophobicContact CD1-CD1 3.95Å; L145-I149 HydrophobicContact CD1-CG1 4.22Å; L145-I149 HydrophobicContact CD2-CD1 4.46Å; L145-I149 HydrophobicContact CG-CD1 3.81Å; L145-I149 HydrophobicContact CG-CG1 4.42Å; L145-I149 WeakPolarHBondContact O-CB 3.43Å; L145-I149 VanDerWaalsContact O-CG1 3.26Å; L145-I149 WeakPolarHBondContact O-CG1 3.35Å; L145-I149 PolarHBondContact O-N 3.39Å
146	E	63.6	Low	62.9	Low	65 Å²	65	98.9 Å²	98.9	30%	0.304	51%	0.51	S	S	.	.	H	α-helix	trans	-65	-40.6	176.4	-168.3	-176.2	133.8	0	0	111.3	M142 N143 I149 K150 M164	M142-E146 VanDerWaalsContact O-CB 3.29Å; M142-E146 WeakPolarHBondContact O-CB 3.5Å; M142-E146 PolarHBondContact O-N 3Å; N143-E146 WeakPolarHBondContact O-CB 3.37Å; N143-E146 PolarHBondContact O-N 2.57Å; N143-E146 VanDerWaalsContact O-N 3.12Å; E146-I149 PolarHBondContact O-N 2.86Å; E146-K150 HydrophobicContact CG-CD 4.13Å; E146-K150 WeakPolarHBondContact O-CB 3.32Å; E146-K150 WeakPolarHBondContact O-CG 3.49Å; E146-K150 PolarHBondContact O-N 2.85Å; E146-K150 WeakPolarHBondContact OE1-CE 3.47Å; E146-K150 IonicContact OE1-NZ 2.66Å; E146-K150 PolarHBondContact OE1-NZ 3.27Å; E146-M164 HydrophobicContact CG-CE 4.25Å; E146-M164 WeakPolarHBondContact OE2-CE 3.49Å
147	E	64.6	Low	62.5	Low	129 Å²	129	100.1 Å²	100.1	60%	0.603	52%	0.517	S	S	*	.	H	α-helix	trans	-64.7	-44.3	171.4	-71.3	177.6	154.9	0	0	111.6	N143 I149 K150 T151	N143-E147 PolarHBondContact O-N 3.03Å; E147-I149 VanDerWaalsContact C-N 3.29Å; E147-I149 PolarHBondContact O-N 2.89Å; E147-K150 PolarHBondContact O-N 3.14Å; E147-T151 WeakPolarHBondContact O-CG2 3.41Å; E147-T151 PolarHBondContact O-N 2.93Å; E147-T151 PolarHBondContact O-OG1 3.48Å
148	T	64.7	Low	61.8	Low	72 Å²	72	101.3 Å²	101.3	44%	0.442	53%	0.525	S	S	.	.	H	α-helix	trans	-64.2	-32.8	177.5	-54.8	0	0	0	0	112.3	T144 L145 T151 N152	T144-T148 WeakPolarHBondContact O-CB 3.36Å; T144-T148 PolarHBondContact O-N 2.89Å; T144-T148 PolarHBondContact O-OG1 2.91Å; L145-T148 PolarHBondContact O-N 2.87Å; T148-T151 PolarHBondContact O-OG1 2.76Å; T148-T151 VanDerWaalsContact O-OG1 3.1Å; T148-N152 PolarHBondContact O-N 2.96Å; T148-N152 PolarHBondContact O-ND2 3.09Å
149	I	57.5	Low	61.3	Low	72 Å²	72	106 Å²	106	37%	0.369	53%	0.534	S	S	.	.	H	α-helix	trans	-80.6	-39.4	174.7	-69.5	172.4	0	0	0	110.8	L145 E146 E147 T151 N152 L153	L145-I149 HydrophobicContact CD1-CD1 3.95Å; L145-I149 HydrophobicContact CD1-CG1 4.22Å; L145-I149 HydrophobicContact CD2-CD1 4.46Å; L145-I149 HydrophobicContact CG-CD1 3.81Å; L145-I149 HydrophobicContact CG-CG1 4.42Å; L145-I149 WeakPolarHBondContact O-CB 3.43Å; L145-I149 VanDerWaalsContact O-CG1 3.26Å; L145-I149 WeakPolarHBondContact O-CG1 3.35Å; L145-I149 PolarHBondContact O-N 3.39Å; E146-I149 PolarHBondContact O-N 2.86Å; E147-I149 VanDerWaalsContact C-N 3.29Å; E147-I149 PolarHBondContact O-N 2.89Å; I149-T151 VanDerWaalsContact C-N 3.26Å; I149-T151 PolarHBondContact O-N 2.71Å; I149-N152 PolarHBondContact O-N 2.99Å; I149-L153 HydrophobicContact CG2-CB 4.02Å; I149-L153 HydrophobicContact CG2-CD2 4.23Å; I149-L153 WeakPolarHBondContact O-CA 3.49Å; I149-L153 WeakPolarHBondContact O-CB 3.36Å; I149-L153 PolarHBondContact O-N 3.22Å
150	K	58.8	Low	60.7	Low	130 Å²	130	106 Å²	106	57%	0.565	54%	0.535	S	S	*	.	H	α-helix	trans	-60	-35.3	174.7	-83.2	167.2	167	168.7	0	112.4	E146 E147	E146-K150 HydrophobicContact CG-CD 4.13Å; E146-K150 WeakPolarHBondContact O-CB 3.32Å; E146-K150 WeakPolarHBondContact O-CG 3.49Å; E146-K150 PolarHBondContact O-N 2.85Å; E146-K150 WeakPolarHBondContact OE1-CE 3.47Å; E146-K150 IonicContact OE1-NZ 2.66Å; E146-K150 PolarHBondContact OE1-NZ 3.27Å; E147-K150 PolarHBondContact O-N 3.14Å
151	T	64.5	Low	60.3	Low	106 Å²	106	111 Å²	111	65%	0.65	54%	0.543	S	S	*	.	H	α-helix	trans	-78	-34.9	177	51.3	0	0	0	0	113.3	E147 T148 I149	E147-T151 WeakPolarHBondContact O-CG2 3.41Å; E147-T151 PolarHBondContact O-N 2.93Å; E147-T151 PolarHBondContact O-OG1 3.48Å; T148-T151 PolarHBondContact O-OG1 2.76Å; T148-T151 VanDerWaalsContact O-OG1 3.1Å; I149-T151 VanDerWaalsContact C-N 3.26Å; I149-T151 PolarHBondContact O-N 2.71Å
152	N	55.6	Low	59.9	Low	125 Å²	125	110.4 Å²	110.4	67%	0.668	54%	0.543	S	S	*	.	H	α-helix	trans	-85.6	-29.1	178.4	-79.8	-84.1	0	0	0	114.6	T148 I149	T148-N152 PolarHBondContact O-N 2.96Å; T148-N152 PolarHBondContact O-ND2 3.09Å; I149-N152 PolarHBondContact O-N 2.99Å
153	L	49.1	Very low	60	Low	80 Å²	80	110.6 Å²	110.6	42%	0.419	55%	0.55	S	S	.	.			trans	-112.2	45.7	-164.7	-139.5	77.8	0	0	0	113.2	I149 R155 N157	I149-L153 HydrophobicContact CG2-CB 4.02Å; I149-L153 HydrophobicContact CG2-CD2 4.23Å; I149-L153 WeakPolarHBondContact O-CA 3.49Å; I149-L153 WeakPolarHBondContact O-CB 3.36Å; I149-L153 PolarHBondContact O-N 3.22Å; L153-R155 PolarHBondContact O-N 2.85Å; L153-N157 HydrophobicContact CD2-CB 4.43Å
154	T	54.9	Low	59.8	Low	129 Å²	129	109.5 Å²	109.5	79%	0.791	54%	0.543	S	S	*	.	S	Bend	trans	-70.1	-4.1	170.3	47.5	0	0	0	0	113.5
155	R	54.3	Low	59.5	Low	190 Å²	190	109.2 Å²	109.2	72%	0.717	54%	0.541	S	S	*	.	S	Bend	trans	-143.1	149.7	168.6	-124.6	168.1	63.4	-158	-3.9	110.8	L153	L153-R155 PolarHBondContact O-N 2.85Å
156	E	52.3	Low	59.8	Low	131 Å²	131	107.9 Å²	107.9	61%	0.612	54%	0.54	S	S	*	.	S	Bend	trans	61.6	75.4	162.9	-63.1	156.7	-123.5	0	0	116.9
157	N	57.2	Low	59.7	Low	105 Å²	105	108.2 Å²	108.2	56%	0.561	54%	0.544	S	S	*	.				-177.7	103.4	124.2	-104.7	-76.4	0	0	0	112.5	L153 V160	L153-N157 HydrophobicContact CD2-CB 4.43Å; N157-V160 HydrophobicContact CB-CB 4.49Å; N157-V160 HydrophobicContact CB-CG2 3.99Å
158	E	57.5	Low	59.7	Low	148 Å²	148	104.8 Å²	104.8	69%	0.692	53%	0.531	S	S	*	.	H	α-helix	trans	-69	-36.7	-179.7	-165.5	159.4	-140.1	0	0	112.5	V160 R161 D162	E158-V160 VanDerWaalsContact C-N 3.25Å; E158-V160 PolarHBondContact O-N 3.01Å; E158-R161 VanDerWaalsContact O-CB 3.27Å; E158-R161 WeakPolarHBondContact O-CB 3.49Å; E158-R161 PolarHBondContact O-N 2.84Å; E158-D162 PolarHBondContact O-N 2.65Å
159	Y	56.4	Low	60	Low	182 Å²	182	106.1 Å²	106.1	71%	0.714	54%	0.536	S	S	*	.	H	α-helix	trans	-56.5	-32.5	177.9	-178.6	-103	0	0	0	114.5	S163	Y159-S163 WeakPolarHBondContact O-CB 3.35Å; Y159-S163 PolarHBondContact O-N 2.73Å; Y159-S163 VanDerWaalsContact O-N 3.08Å; Y159-S163 PolarHBondContact O-OG 3.2Å
160	V	58.5	Low	60.3	Low	68 Å²	68	108.2 Å²	108.2	41%	0.412	54%	0.544	S	S	.	.	H	α-helix	trans	-71.7	-34.5	177.5	177.5	0	0	0	0	110.8	N157 E158 S163 M164	N157-V160 HydrophobicContact CB-CB 4.49Å; N157-V160 HydrophobicContact CB-CG2 3.99Å; E158-V160 VanDerWaalsContact C-N 3.25Å; E158-V160 PolarHBondContact O-N 3.01Å; V160-S163 PolarHBondContact O-N 3.33Å; V160-M164 WeakPolarHBondContact O-CB 3.49Å; V160-M164 PolarHBondContact O-N 3.33Å
161	R	59.2	Low	60.2	Low	173 Å²	173	107.2 Å²	107.2	65%	0.653	54%	0.54	S	S	*	.	H	α-helix	trans	-65.5	-44.8	176.5	-170	-176.3	-65.4	174	-0.1	111.3	E158 M164 T165	E158-R161 VanDerWaalsContact O-CB 3.27Å; E158-R161 WeakPolarHBondContact O-CB 3.49Å; E158-R161 PolarHBondContact O-N 2.84Å; R161-M164 WeakPolarHBondContact O-CB 3.38Å; R161-M164 PolarHBondContact O-N 3.1Å; R161-T165 WeakPolarHBondContact O-CG2 3.37Å; R161-T165 PolarHBondContact O-N 3.09Å; R161-T165 PolarHBondContact O-OG1 3.15Å
162	D	62.5	Low	59.8	Low	103 Å²	103	108 Å²	108	55%	0.551	53%	0.534	S	S	*	.	H	α-helix	trans	-69.3	-34.3	178	-78.2	-3.3	0	0	0	112.8	E158 M164 T165 S166	E158-D162 PolarHBondContact O-N 2.65Å; D162-M164 VanDerWaalsContact C-N 3.34Å; D162-T165 WeakPolarHBondContact CA-OG1 3.47Å; D162-T165 PolarHBondContact O-OG1 3.12Å; D162-S166 WeakPolarHBondContact O-CB 3.41Å; D162-S166 PolarHBondContact O-N 3.5Å
163	S	65.9	Low	60	Low	56 Å²	56	108.4 Å²	108.4	39%	0.392	53%	0.53	S	S	.	.	H	α-helix	trans	-62.5	-42	170.3	-59.4	0	0	0	0	111.4	Y159 V160 L167	Y159-S163 WeakPolarHBondContact O-CB 3.35Å; Y159-S163 PolarHBondContact O-N 2.73Å; Y159-S163 VanDerWaalsContact O-N 3.08Å; Y159-S163 PolarHBondContact O-OG 3.2Å; V160-S163 PolarHBondContact O-N 3.33Å; S163-L167 WeakPolarHBondContact O-CB 3.31Å; S163-L167 PolarHBondContact O-N 2.92Å
164	M	59.2	Low	59.9	Low	61 Å²	61	112 Å²	112	30%	0.3	54%	0.539	S	S	.	.	H	α-helix	trans	-68.3	-41.4	178.3	-166.3	71.9	165.9	0	0	112.7	M142 E146 V160 R161 D162 L167 T168	M142-M164 HydrophobicContact CE-CE 3.52Å; M142-M164 HydrophobicContact CE-SD 3.93Å; E146-M164 HydrophobicContact CG-CE 4.25Å; E146-M164 WeakPolarHBondContact OE2-CE 3.49Å; V160-M164 WeakPolarHBondContact O-CB 3.49Å; V160-M164 PolarHBondContact O-N 3.33Å; R161-M164 WeakPolarHBondContact O-CB 3.38Å; R161-M164 PolarHBondContact O-N 3.1Å; D162-M164 VanDerWaalsContact C-N 3.34Å; M164-L167 PolarHBondContact O-N 3.42Å; M164-T168 WeakPolarHBondContact O-CB 3.25Å; M164-T168 PolarHBondContact O-N 2.84Å; M164-T168 PolarHBondContact O-OG1 2.54Å
165	T	67.5	Low	59.7	Low	70 Å²	70	111.6 Å²	111.6	43%	0.429	53%	0.528	S	S	.	.	H	α-helix	trans	-70.8	-37	177.4	56.4	0	0	0	0	111.8	R161 D162 T168 N169	R161-T165 WeakPolarHBondContact O-CG2 3.37Å; R161-T165 PolarHBondContact O-N 3.09Å; R161-T165 PolarHBondContact O-OG1 3.15Å; D162-T165 WeakPolarHBondContact CA-OG1 3.47Å; D162-T165 PolarHBondContact O-OG1 3.12Å; T165-T168 PolarHBondContact O-N 3.02Å; T165-N169 WeakPolarHBondContact O-CB 3.16Å; T165-N169 PolarHBondContact O-N 2.65Å; T165-N169 PolarHBondContact O-ND2 3.1Å
166	S	71.5	Confident	59.7	Low	71 Å²	71	107 Å²	107	50%	0.497	52%	0.518	S	S	.	.	H	α-helix	trans	-59.8	-47.5	171.6	-175.4	0	0	0	0	111.7	D162 N169 Q170	D162-S166 WeakPolarHBondContact O-CB 3.41Å; D162-S166 PolarHBondContact O-N 3.5Å; S166-N169 PolarHBondContact O-N 2.87Å; S166-Q170 PolarHBondContact O-N 2.88Å
167	L	62.7	Low	59.7	Low	72 Å²	72	107 Å²	107	38%	0.377	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-43.2	176.4	-175.1	61.6	0	0	0	112.2	M142 S163 M164 N169 Q170 F171	M142-L167 HydrophobicContact CE-CD2 4.4Å; S163-L167 WeakPolarHBondContact O-CB 3.31Å; S163-L167 PolarHBondContact O-N 2.92Å; M164-L167 PolarHBondContact O-N 3.42Å; L167-N169 VanDerWaalsContact C-N 3.28Å; L167-N169 PolarHBondContact O-N 3.26Å; L167-Q170 WeakPolarHBondContact O-CA 3.48Å; L167-Q170 WeakPolarHBondContact O-CB 3.37Å; L167-Q170 PolarHBondContact O-N 3.38Å; L167-F171 HydrophobicContact CD1-CD2 4.26Å; L167-F171 HydrophobicContact CD1-CE2 3.86Å; L167-F171 HydrophobicContact CD2-CE2 4.36Å; L167-F171 HydrophobicContact CG-CD2 4.07Å; L167-F171 HydrophobicContact CG-CE2 3.85Å; L167-F171 WeakPolarHBondContact O-CD2 3.21Å; L167-F171 PolarHBondContact O-N 3.4Å
168	T	64.7	Low	59.4	Low	56 Å²	56	105.3 Å²	105.3	34%	0.344	51%	0.51	S	S	.	.	H	α-helix	trans	-59.2	-38.6	174.6	-59.3	0	0	0	0	111.7	M164 T165 F171 K172	M164-T168 WeakPolarHBondContact O-CB 3.25Å; M164-T168 PolarHBondContact O-N 2.84Å; M164-T168 PolarHBondContact O-OG1 2.54Å; T165-T168 PolarHBondContact O-N 3.02Å; T168-F171 PolarHBondContact O-N 3.3Å; T168-K172 PolarHBondContact O-N 2.67Å
169	N	70.6	Confident	59.2	Low	101 Å²	101	103.1 Å²	103.1	54%	0.54	50%	0.503	S	S	.	.	H	α-helix	trans	-70.8	-28.7	175.3	-74.3	-30	0	0	0	112.9	T165 S166 L167 K173	T165-N169 WeakPolarHBondContact O-CB 3.16Å; T165-N169 PolarHBondContact O-N 2.65Å; T165-N169 PolarHBondContact O-ND2 3.1Å; S166-N169 PolarHBondContact O-N 2.87Å; L167-N169 VanDerWaalsContact C-N 3.28Å; L167-N169 PolarHBondContact O-N 3.26Å; N169-K173 PolarHBondContact O-N 3.34Å
170	Q	64	Low	59.1	Low	115 Å²	115	98.3 Å²	98.3	54%	0.537	49%	0.489	S	S	.	.	H	α-helix	trans	-66.8	-43.1	167.1	-69.1	-165.2	-0.5	0	0	111.8	S166 L167 K172 K173 Y174	S166-Q170 PolarHBondContact O-N 2.88Å; L167-Q170 WeakPolarHBondContact O-CA 3.48Å; L167-Q170 WeakPolarHBondContact O-CB 3.37Å; L167-Q170 PolarHBondContact O-N 3.38Å; Q170-K172 PolarHBondContact O-N 2.68Å; Q170-K173 WeakPolarHBondContact O-CA 3.47Å; Q170-K173 VanDerWaalsContact O-CB 3.29Å; Q170-K173 WeakPolarHBondContact O-CB 3.45Å; Q170-K173 PolarHBondContact O-N 2.75Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.46Å; Q170-Y174 PolarHBondContact O-N 2.89Å; Q170-Y174 VanDerWaalsContact O-N 3.12Å
171	F	55.6	Low	58.5	Low	110 Å²	110	101.3 Å²	101.3	48%	0.482	50%	0.5	S	S	.	.	H	α-helix	trans	-62.2	-43.1	176.8	-82.3	-70.3	0	0	0	112.6	L167 T168 K173 Y174 E175	L167-F171 HydrophobicContact CD1-CD2 4.26Å; L167-F171 HydrophobicContact CD1-CE2 3.86Å; L167-F171 HydrophobicContact CD2-CE2 4.36Å; L167-F171 HydrophobicContact CG-CD2 4.07Å; L167-F171 HydrophobicContact CG-CE2 3.85Å; L167-F171 WeakPolarHBondContact O-CD2 3.21Å; L167-F171 PolarHBondContact O-N 3.4Å; T168-F171 PolarHBondContact O-N 3.3Å; F171-K173 PolarHBondContact O-N 3.43Å; F171-Y174 CarbonylContact O-C 3.6Å; F171-Y174 WeakPolarHBondContact O-CA 3.37Å; F171-Y174 WeakPolarHBondContact O-CB 3.49Å; F171-Y174 PolarHBondContact O-N 3.13Å; F171-E175 PolarHBondContact O-N 3.19Å
172	K	57.2	Low	58.3	Low	122 Å²	122	98.6 Å²	98.6	53%	0.53	50%	0.496	S	S	.	.	H	α-helix	trans	-58.5	-30.6	171.5	-73.6	-179.6	176.1	-179.9	0	113.4	T168 Q170 N176	T168-K172 PolarHBondContact O-N 2.67Å; Q170-K172 PolarHBondContact O-N 2.68Å; K172-N176 PolarHBondContact O-N 2.98Å
173	K	58.3	Low	57.5	Low	133 Å²	133	96.5 Å²	96.5	58%	0.578	49%	0.489	S	S	*	.	H	α-helix	trans	-69.6	-35.5	172.9	-163	176.5	-179.9	178.3	0	111.8	N169 Q170 F171 N176 Y177	N169-K173 PolarHBondContact O-N 3.34Å; Q170-K173 WeakPolarHBondContact O-CA 3.47Å; Q170-K173 VanDerWaalsContact O-CB 3.29Å; Q170-K173 WeakPolarHBondContact O-CB 3.45Å; Q170-K173 PolarHBondContact O-N 2.75Å; F171-K173 PolarHBondContact O-N 3.43Å; K173-N176 PolarHBondContact O-N 3.45Å; K173-Y177 HydrophobicContact CG-CE2 4.05Å; K173-Y177 WeakPolarHBondContact O-CD2 3.42Å; K173-Y177 PolarHBondContact O-N 3.16Å
174	Y	48.7	Very low	57.1	Low	156 Å²	156	97.4 Å²	97.4	61%	0.612	49%	0.489	S	S	*	.	H	α-helix	trans	-70.8	-36.8	171.8	-77.8	-72.5	0	0	0	113.5	Q170 F171 N176 Y177 S178	Q170-Y174 WeakPolarHBondContact O-CD2 3.46Å; Q170-Y174 PolarHBondContact O-N 2.89Å; Q170-Y174 VanDerWaalsContact O-N 3.12Å; F171-Y174 CarbonylContact O-C 3.6Å; F171-Y174 WeakPolarHBondContact O-CA 3.37Å; F171-Y174 WeakPolarHBondContact O-CB 3.49Å; F171-Y174 PolarHBondContact O-N 3.13Å; Y174-N176 PolarHBondContact O-N 3.03Å; Y174-Y177 HydrophobicContact CD1-CD2 4.26Å; Y174-Y177 PolarHBondContact O-N 3.14Å; Y174-Y177 VanDerWaalsContact O-N 3.17Å; Y174-S178 PolarHBondContact O-N 2.69Å
175	E	50.1	Low	56.6	Low	120 Å²	120	99.7 Å²	99.7	56%	0.561	50%	0.497	S	S	*	.	H	α-helix	trans	-58.3	-40.3	167.8	-65.9	-178.1	128.3	0	0	111.1	F171 Y177 S178 N179	F171-E175 PolarHBondContact O-N 3.19Å; E175-Y177 VanDerWaalsContact C-N 3.35Å; E175-Y177 PolarHBondContact O-N 3.15Å; E175-S178 CarbonylContact O-C 3.59Å; E175-S178 WeakPolarHBondContact O-CA 3.43Å; E175-S178 VanDerWaalsContact O-CB 3.24Å; E175-S178 WeakPolarHBondContact O-CB 3.49Å; E175-S178 PolarHBondContact O-N 3.32Å; E175-N179 PolarHBondContact O-N 3.43Å
176	N	54.4	Low	56.2	Low	95 Å²	95	104 Å²	104	51%	0.508	51%	0.51	S	S	.	.	H	α-helix	trans	-67.5	-33.3	176.8	-149.2	10.5	0	0	0	112.6	K172 K173 Y174 S178 N179 I180	K172-N176 PolarHBondContact O-N 2.98Å; K173-N176 PolarHBondContact O-N 3.45Å; Y174-N176 PolarHBondContact O-N 3.03Å; N176-S178 VanDerWaalsContact C-N 3.33Å; N176-N179 PolarHBondContact O-N 3.04Å; N176-I180 VanDerWaalsContact O-CG1 3.28Å; N176-I180 WeakPolarHBondContact O-CG1 3.13Å; N176-I180 PolarHBondContact O-N 2.71Å
177	Y	51	Low	55.7	Low	129 Å²	129	105.8 Å²	105.8	51%	0.506	51%	0.511	S	S	.	.	H	α-helix	trans	-65.7	-33	168.1	-73.5	-63.7	0	0	0	112.7	K173 Y174 E175 I180 M181	K173-Y177 HydrophobicContact CG-CE2 4.05Å; K173-Y177 WeakPolarHBondContact O-CD2 3.42Å; K173-Y177 PolarHBondContact O-N 3.16Å; Y174-Y177 HydrophobicContact CD1-CD2 4.26Å; Y174-Y177 PolarHBondContact O-N 3.14Å; Y174-Y177 VanDerWaalsContact O-N 3.17Å; E175-Y177 VanDerWaalsContact C-N 3.35Å; E175-Y177 PolarHBondContact O-N 3.15Å; Y177-I180 HydrophobicContact CD1-CD1 4.27Å; Y177-I180 PolarHBondContact O-N 2.84Å; Y177-M181 WeakPolarHBondContact O-CB 3.32Å; Y177-M181 PolarHBondContact O-N 2.84Å
178	S	52.4	Low	55.5	Low	70 Å²	70	107.6 Å²	107.6	49%	0.49	52%	0.519	S	S	.	.	H	α-helix	trans	-65.8	-42.6	170.9	-167	0	0	0	0	111.7	Y174 E175 N176 I180 M181 M182	Y174-S178 PolarHBondContact O-N 2.69Å; E175-S178 CarbonylContact O-C 3.59Å; E175-S178 WeakPolarHBondContact O-CA 3.43Å; E175-S178 VanDerWaalsContact O-CB 3.24Å; E175-S178 WeakPolarHBondContact O-CB 3.49Å; E175-S178 PolarHBondContact O-N 3.32Å; N176-S178 VanDerWaalsContact C-N 3.33Å; S178-I180 PolarHBondContact O-N 2.66Å; S178-M181 WeakPolarHBondContact O-CB 3.23Å; S178-M181 PolarHBondContact O-N 3.43Å; S178-M182 WeakPolarHBondContact O-CG 3.38Å; S178-M182 PolarHBondContact O-N 3.37Å
179	N	52.8	Low	55.2	Low	102 Å²	102	108.2 Å²	108.2	55%	0.545	53%	0.526	S	S	.	.	H	α-helix	trans	-63.2	-39.7	174.5	-67.8	-27.3	0	0	0	112	E175 N176 M182 S183	E175-N179 PolarHBondContact O-N 3.43Å; N176-N179 PolarHBondContact O-N 3.04Å; N179-M182 PolarHBondContact O-N 2.99Å; N179-S183 PolarHBondContact O-N 2.94Å
180	I	54.5	Low	54.6	Low	82 Å²	82	106 Å²	106	42%	0.421	52%	0.518	S	S	.	.	H	α-helix	trans	-62.5	-44.6	172	-70.2	162.8	0	0	0	110.5	N176 Y177 S178 M182 S183 I184	N176-I180 VanDerWaalsContact O-CG1 3.28Å; N176-I180 WeakPolarHBondContact O-CG1 3.13Å; N176-I180 PolarHBondContact O-N 2.71Å; Y177-I180 HydrophobicContact CD1-CD1 4.27Å; Y177-I180 PolarHBondContact O-N 2.84Å; S178-I180 PolarHBondContact O-N 2.66Å; I180-M182 VanDerWaalsContact C-N 3.3Å; I180-M182 PolarHBondContact O-N 2.83Å; I180-S183 PolarHBondContact O-N 3.25Å; I180-I184 HydrophobicContact CG2-CD1 3.81Å; I180-I184 HydrophobicContact CG2-CG1 4.48Å; I180-I184 VanDerWaalsContact O-CG1 3.31Å; I180-I184 WeakPolarHBondContact O-CG1 3.01Å; I180-I184 PolarHBondContact O-N 2.86Å
181	M	45.4	Very low	54.1	Low	130 Å²	130	105.2 Å²	105.2	64%	0.64	52%	0.517	S	S	*	.	H	α-helix	trans	-61.6	-37.9	176	-165.9	66.9	69.9	0	0	112.2	Y177 S178 K185	Y177-M181 WeakPolarHBondContact O-CB 3.32Å; Y177-M181 PolarHBondContact O-N 2.84Å; S178-M181 WeakPolarHBondContact O-CB 3.23Å; S178-M181 PolarHBondContact O-N 3.43Å; M181-K185 WeakPolarHBondContact O-CB 3.47Å; M181-K185 PolarHBondContact O-N 2.91Å
182	M	54.3	Low	53.8	Low	117 Å²	117	103.1 Å²	103.1	58%	0.576	52%	0.516	S	S	*	.	H	α-helix	trans	-71.8	-33.3	174.5	-74.5	-68.7	-74.6	0	0	112.8	S178 N179 I180 K185 K186	S178-M182 WeakPolarHBondContact O-CG 3.38Å; S178-M182 PolarHBondContact O-N 3.37Å; N179-M182 PolarHBondContact O-N 2.99Å; I180-M182 VanDerWaalsContact C-N 3.3Å; I180-M182 PolarHBondContact O-N 2.83Å; M182-K185 PolarHBondContact O-N 2.98Å; M182-K185 HydrophobicContact SD-CD 4.3Å; M182-K186 WeakPolarHBondContact O-CB 3.37Å; M182-K186 PolarHBondContact O-N 3.21Å
183	S	47.3	Very low	53.6	Low	58 Å²	58	102.1 Å²	102.1	41%	0.406	52%	0.516	S	S	.	.	H	α-helix	trans	-66.1	-45.6	170.9	-160.7	0	0	0	0	110.9	N179 I180 K185 K186 E187	N179-S183 PolarHBondContact O-N 2.94Å; I180-S183 PolarHBondContact O-N 3.25Å; S183-K185 VanDerWaalsContact C-N 3.32Å; S183-K185 PolarHBondContact O-N 3.37Å; S183-K186 CarbonylContact O-C 3.58Å; S183-K186 WeakPolarHBondContact O-CB 3.43Å; S183-K186 PolarHBondContact O-N 2.86Å; S183-K186 VanDerWaalsContact O-N 3.11Å; S183-E187 WeakPolarHBondContact O-CG 3.12Å; S183-E187 PolarHBondContact O-N 2.83Å
184	I	56.9	Low	53.4	Low	75 Å²	75	101.7 Å²	101.7	39%	0.385	52%	0.516	S	S	.	.	H	α-helix	trans	-59.6	-43.2	174	-69.4	165.3	0	0	0	110.5	I180 K186 E187 I188	I180-I184 HydrophobicContact CG2-CD1 3.81Å; I180-I184 HydrophobicContact CG2-CG1 4.48Å; I180-I184 VanDerWaalsContact O-CG1 3.31Å; I180-I184 WeakPolarHBondContact O-CG1 3.01Å; I180-I184 PolarHBondContact O-N 2.86Å; I184-K186 PolarHBondContact O-N 2.89Å; I184-E187 PolarHBondContact O-N 3.24Å; I184-I188 HydrophobicContact CG2-CD1 3.72Å; I184-I188 HydrophobicContact CG2-CG1 4.4Å; I184-I188 WeakPolarHBondContact O-CB 3.25Å; I184-I188 VanDerWaalsContact O-CG1 3.24Å; I184-I188 WeakPolarHBondContact O-CG1 3.4Å; I184-I188 PolarHBondContact O-N 2.83Å
185	K	49.3	Very low	53.3	Low	110 Å²	110	99.2 Å²	99.2	48%	0.478	51%	0.513	S	S	.	.	H	α-helix	trans	-59.7	-44.3	173.5	-176.6	175.8	175.3	175.1	0	111.8	M181 M182 S183 I188 S189	M181-K185 WeakPolarHBondContact O-CB 3.47Å; M181-K185 PolarHBondContact O-N 2.91Å; M182-K185 PolarHBondContact O-N 2.98Å; M182-K185 HydrophobicContact SD-CD 4.3Å; S183-K185 VanDerWaalsContact C-N 3.32Å; S183-K185 PolarHBondContact O-N 3.37Å; K185-I188 PolarHBondContact O-N 2.86Å; K185-S189 WeakPolarHBondContact O-CB 3.33Å; K185-S189 PolarHBondContact O-N 2.99Å; K185-S189 PolarHBondContact O-OG 2.93Å
186	K	58.4	Low	53.3	Low	160 Å²	160	99.1 Å²	99.1	70%	0.696	52%	0.516	S	S	*	.	H	α-helix	trans	-64.4	-41.6	177.3	-173	179.1	179.6	-178.6	0	112.1	M182 S183 I184 S189 S190	M182-K186 WeakPolarHBondContact O-CB 3.37Å; M182-K186 PolarHBondContact O-N 3.21Å; S183-K186 CarbonylContact O-C 3.58Å; S183-K186 WeakPolarHBondContact O-CB 3.43Å; S183-K186 PolarHBondContact O-N 2.86Å; S183-K186 VanDerWaalsContact O-N 3.11Å; I184-K186 PolarHBondContact O-N 2.89Å; K186-S189 PolarHBondContact O-N 2.95Å; K186-S190 PolarHBondContact O-N 2.83Å; K186-S190 PolarHBondContact O-OG 2.98Å
187	E	61.8	Low	52.9	Low	109 Å²	109	100.4 Å²	100.4	51%	0.509	52%	0.519	S	S	.	.	H	α-helix	trans	-63.4	-50	174.8	-76.9	172.2	-150.1	0	0	110.8	S183 I184 S189 S190 L191	S183-E187 WeakPolarHBondContact O-CG 3.12Å; S183-E187 PolarHBondContact O-N 2.83Å; I184-E187 PolarHBondContact O-N 3.24Å; E187-S189 VanDerWaalsContact C-N 3.29Å; E187-S189 PolarHBondContact O-N 3.1Å; E187-S190 WeakPolarHBondContact CA-OG 2.98Å; E187-S190 CarbonylContact O-C 3.59Å; E187-S190 WeakPolarHBondContact O-CA 3.06Å; E187-S190 PolarHBondContact O-N 3.44Å; E187-S190 PolarHBondContact O-OG 3.29Å; E187-L191 VanDerWaalsContact O-CD1 3.23Å; E187-L191 WeakPolarHBondContact O-CD1 3.5Å; E187-L191 PolarHBondContact O-N 2.95Å
188	I	58	Low	52.7	Low	110 Å²	110	99.2 Å²	99.2	56%	0.564	52%	0.516	S	S	*	.	H	α-helix	trans	-55.6	-43.3	174.8	-69.9	166.7	0	0	0	111.3	I184 K185 S190 L191 S192	I184-I188 HydrophobicContact CG2-CD1 3.72Å; I184-I188 HydrophobicContact CG2-CG1 4.4Å; I184-I188 WeakPolarHBondContact O-CB 3.25Å; I184-I188 VanDerWaalsContact O-CG1 3.24Å; I184-I188 WeakPolarHBondContact O-CG1 3.4Å; I184-I188 PolarHBondContact O-N 2.83Å; K185-I188 PolarHBondContact O-N 2.86Å; I188-S190 PolarHBondContact O-N 2.83Å; I188-L191 PolarHBondContact O-N 2.81Å; I188-S192 WeakPolarHBondContact O-CB 3.5Å; I188-S192 PolarHBondContact O-N 3.49Å
189	S	57.6	Low	52.3	Low	68 Å²	68	101.2 Å²	101.2	48%	0.476	52%	0.521	S	S	.	.	H	α-helix	trans	-61.4	-41.6	174.2	-61.7	0	0	0	0	112.4	K185 K186 E187 S192 L193	K185-S189 WeakPolarHBondContact O-CB 3.33Å; K185-S189 PolarHBondContact O-N 2.99Å; K185-S189 PolarHBondContact O-OG 2.93Å; K186-S189 PolarHBondContact O-N 2.95Å; E187-S189 VanDerWaalsContact C-N 3.29Å; E187-S189 PolarHBondContact O-N 3.1Å; S189-S192 PolarHBondContact O-N 2.76Å; S189-L193 PolarHBondContact O-N 3.01Å; S189-L193 VanDerWaalsContact O-N 3.07Å
190	S	59	Low	51.9	Low	55 Å²	55	99.9 Å²	99.9	39%	0.385	53%	0.525	S	S	.	.	H	α-helix	trans	-69.5	-36.1	175.5	64.8	0	0	0	0	113.9	K186 E187 I188 L193 Q194	K186-S190 PolarHBondContact O-N 2.83Å; K186-S190 PolarHBondContact O-OG 2.98Å; E187-S190 WeakPolarHBondContact CA-OG 2.98Å; E187-S190 CarbonylContact O-C 3.59Å; E187-S190 WeakPolarHBondContact O-CA 3.06Å; E187-S190 PolarHBondContact O-N 3.44Å; E187-S190 PolarHBondContact O-OG 3.29Å; I188-S190 PolarHBondContact O-N 2.83Å; S190-L193 PolarHBondContact O-N 2.94Å; S190-Q194 WeakPolarHBondContact O-CG 3.45Å; S190-Q194 PolarHBondContact O-N 2.85Å
191	L	53.7	Low	51.3	Low	99 Å²	99	99.8 Å²	99.8	52%	0.518	53%	0.531	S	S	.	.	H	α-helix	trans	-66.6	-39.1	173.8	-91.7	83.2	0	0	0	111.1	E187 I188 L193 Q194 L195	E187-L191 VanDerWaalsContact O-CD1 3.23Å; E187-L191 WeakPolarHBondContact O-CD1 3.5Å; E187-L191 PolarHBondContact O-N 2.95Å; I188-L191 PolarHBondContact O-N 2.81Å; L191-L193 VanDerWaalsContact C-N 3.31Å; L191-L193 PolarHBondContact O-N 2.93Å; L191-Q194 PolarHBondContact O-N 2.82Å; L191-L195 WeakPolarHBondContact O-CB 3.48Å; L191-L195 VanDerWaalsContact O-CG 3.3Å; L191-L195 WeakPolarHBondContact O-CG 3.28Å; L191-L195 PolarHBondContact O-N 3.2Å
192	S	48.6	Very low	50.8	Low	65 Å²	65	100 Å²	100	46%	0.455	53%	0.53	S	S	.	.	H	α-helix	trans	-61.3	-40.6	172.8	-180	0	0	0	0	111.7	I188 S189 L195 L196	I188-S192 WeakPolarHBondContact O-CB 3.5Å; I188-S192 PolarHBondContact O-N 3.49Å; S189-S192 PolarHBondContact O-N 2.76Å; S192-L195 PolarHBondContact O-N 2.9Å; S192-L196 WeakPolarHBondContact O-CG 3.4Å; S192-L196 PolarHBondContact O-N 2.8Å; S192-L196 VanDerWaalsContact O-N 3.08Å
193	L	53.4	Low	50	Low	101 Å²	101	99 Å²	99	53%	0.529	54%	0.535	S	S	.	.	H	α-helix	trans	-67.5	-38.9	175.1	-126.9	159.9	0	0	0	112.4	S189 S190 L191 Q197	S189-L193 PolarHBondContact O-N 3.01Å; S189-L193 VanDerWaalsContact O-N 3.07Å; S190-L193 PolarHBondContact O-N 2.94Å; L191-L193 VanDerWaalsContact C-N 3.31Å; L191-L193 PolarHBondContact O-N 2.93Å; L193-Q197 WeakPolarHBondContact O-CG 3.43Å; L193-Q197 PolarHBondContact O-N 3.23Å
194	Q	54.6	Low	49.5	Very low	124 Å²	124	105.4 Å²	105.4	58%	0.579	56%	0.556	S	S	*	*	H	α-helix	trans	-67.6	-36.4	174	-77.6	-177.1	-34.2	0	0	112.8	S190 L191 Q197 K198	S190-Q194 WeakPolarHBondContact O-CG 3.45Å; S190-Q194 PolarHBondContact O-N 2.85Å; L191-Q194 PolarHBondContact O-N 2.82Å; Q194-Q197 PolarHBondContact O-N 2.93Å; Q194-K198 VanDerWaalsContact O-CB 3.3Å; Q194-K198 WeakPolarHBondContact O-CB 3.32Å; Q194-K198 PolarHBondContact O-N 2.99Å
195	L	46.6	Very low	48.4	Very low	104 Å²	104	106.6 Å²	106.6	55%	0.545	58%	0.576	S	S	.	*	H	α-helix	trans	-64.7	-46.9	174.2	-74.3	165	0	0	0	110.8	L191 S192 Q197 K198 D199	L191-L195 WeakPolarHBondContact O-CB 3.48Å; L191-L195 VanDerWaalsContact O-CG 3.3Å; L191-L195 WeakPolarHBondContact O-CG 3.28Å; L191-L195 PolarHBondContact O-N 3.2Å; S192-L195 PolarHBondContact O-N 2.9Å; L195-Q197 VanDerWaalsContact C-N 3.26Å; L195-Q197 PolarHBondContact O-N 3.21Å; L195-K198 WeakPolarHBondContact O-CA 3.35Å; L195-K198 WeakPolarHBondContact O-CB 3.45Å; L195-K198 PolarHBondContact O-N 2.63Å; L195-D199 PolarHBondContact O-N 3.43Å
196	L	48.3	Very low	47.5	Very low	118 Å²	118	110.4 Å²	110.4	62%	0.618	60%	0.596	S	S	*	*	H	α-helix	trans	-58.6	-35	174	-73.9	165.4	0	0	0	113.2	S192	S192-L196 WeakPolarHBondContact O-CG 3.4Å; S192-L196 PolarHBondContact O-N 2.8Å; S192-L196 VanDerWaalsContact O-N 3.08Å
197	Q	47.9	Very low	46	Very low	122 Å²	122	110.1 Å²	110.1	57%	0.57	60%	0.602	S	S	*	*	H	α-helix	trans	-75.6	-29.3	173.8	-72.4	175	-8.3	0	0	113	L193 Q194 L195 S201	L193-Q197 WeakPolarHBondContact O-CG 3.43Å; L193-Q197 PolarHBondContact O-N 3.23Å; Q194-Q197 PolarHBondContact O-N 2.93Å; L195-Q197 VanDerWaalsContact C-N 3.26Å; L195-Q197 PolarHBondContact O-N 3.21Å; Q197-S201 PolarHBondContact O-OG 2.95Å
198	K	46.2	Very low	44.5	Very low	105 Å²	105	111.4 Å²	111.4	46%	0.457	62%	0.617	S	S	.	*	H	α-helix	trans	-74.6	-42.9	177.4	-172	175.2	178.6	-153	0	111.8	Q194 L195 A200 S201 E202	Q194-K198 VanDerWaalsContact O-CB 3.3Å; Q194-K198 WeakPolarHBondContact O-CB 3.32Å; Q194-K198 PolarHBondContact O-N 2.99Å; L195-K198 WeakPolarHBondContact O-CA 3.35Å; L195-K198 WeakPolarHBondContact O-CB 3.45Å; L195-K198 PolarHBondContact O-N 2.63Å; K198-A200 PolarHBondContact O-N 2.84Å; K198-S201 WeakPolarHBondContact CA-OG 3.1Å; K198-S201 PolarHBondContact O-N 3.23Å; K198-S201 PolarHBondContact O-OG 3.09Å; K198-S201 VanDerWaalsContact O-OG 3.11Å; K198-E202 WeakPolarHBondContact CE-OE1 3.47Å; K198-E202 HydrophobicContact CG-CG 4.46Å; K198-E202 IonicContact NZ-OE1 2.69Å; K198-E202 PolarHBondContact NZ-OE1 2.72Å; K198-E202 PolarHBondContact O-N 2.79Å; K198-E202 VanDerWaalsContact O-N 3.12Å
199	D	43.8	Very low	43.1	Very low	111 Å²	111	114.2 Å²	114.2	59%	0.594	63%	0.628	S	S	*	*	H	α-helix	trans	-59.9	-30.8	175.2	-64.9	-18.5	0	0	0	111.6	L195 S201	L195-D199 PolarHBondContact O-N 3.43Å; D199-S201 VanDerWaalsContact C-N 3.32Å; D199-S201 PolarHBondContact O-N 3.11Å
200	A	44.3	Very low	41.6	Very low	75 Å²	75	117.2 Å²	117.2	62%	0.62	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-12.8	173.4	0	0	0	0	0	114.8	K198	K198-A200 PolarHBondContact O-N 2.84Å
201	S	40.9	Very low	40.1	Very low	79 Å²	79	120.6 Å²	120.6	55%	0.552	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	-14.2	-175.6	42.9	0	0	0	0	115.1	Q197 K198 D199 S203	Q197-S201 PolarHBondContact O-OG 2.95Å; K198-S201 WeakPolarHBondContact CA-OG 3.1Å; K198-S201 PolarHBondContact O-N 3.23Å; K198-S201 PolarHBondContact O-OG 3.09Å; K198-S201 VanDerWaalsContact O-OG 3.11Å; D199-S201 VanDerWaalsContact C-N 3.32Å; D199-S201 PolarHBondContact O-N 3.11Å; S201-S203 PolarHBondContact O-N 3.15Å
202	E	36.4	Very low	38.7	Very low	134 Å²	134	123.5 Å²	123.5	63%	0.626	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-1.2	171.5	-68.7	-166.3	165.5	0	0	113.9	K198 K204	K198-E202 WeakPolarHBondContact CE-OE1 3.47Å; K198-E202 HydrophobicContact CG-CG 4.46Å; K198-E202 IonicContact NZ-OE1 2.69Å; K198-E202 PolarHBondContact NZ-OE1 2.72Å; K198-E202 PolarHBondContact O-N 2.79Å; K198-E202 VanDerWaalsContact O-N 3.12Å; E202-K204 VanDerWaalsContact C-N 3.34Å; E202-K204 PolarHBondContact O-N 3.06Å
203	S	37.1	Very low	37.7	Very low	97 Å²	97	127.2 Å²	127.2	68%	0.678	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	6.8	179.4	73.3	0	0	0	0	115.8	S201	S201-S203 PolarHBondContact O-N 3.15Å
204	K	37.2	Very low	36.4	Very low	193 Å²	193	131.5 Å²	131.5	84%	0.839	69%	0.691	S	S	*	*	S	Bend	trans	-149.6	72.4	178.6	-74.7	-167.9	177	178.6	0	114.9	E202	E202-K204 VanDerWaalsContact C-N 3.34Å; E202-K204 PolarHBondContact O-N 3.06Å
205	A	34.1	Very low	36.2	Very low	99 Å²	99	130.6 Å²	130.6	82%	0.818	70%	0.696	S	S	*	*			trans	-166.2	89.5	156.2	0	0	0	0	0	113.3
206	Q	29.4	Very low	36.3	Very low	191 Å²	191	131.4 Å²	131.4	89%	0.893	71%	0.707	S	S	*	*			trans	-154.3	78.4	162.7	-164.6	157.7	-0.5	0	0	114.1
207	D	27	Very low	35.2	Very low	154 Å²	154	129.1 Å²	129.1	82%	0.824	71%	0.712	S	S	*	*			trans	177.6	147.6	151.4	-102.2	-27.7	0	0	0	106.4
208	T	29.8	Very low	34.2	Very low	135 Å²	135	133.3 Å²	133.3	83%	0.828	73%	0.728	S	S	*	*			cis	-140.2	-166.5	13.8	-4.6	0	0	0	0	111.6
209	H	28.3	Very low	33.4	Very low	169 Å²	169	134.9 Å²	134.9	78%	0.782	75%	0.746	S	S	*	*			trans	-100	156.6	-162.6	-127.9	-114.3	0	0	0	116.6
210	D	26.7	Very low	32.7	Very low	131 Å²	131	133.4 Å²	133.4	70%	0.701	75%	0.75	S	S	*	*			trans	103	147	135.3	-102.4	-43.2	0	0	0	127.8
211	E	27.4	Very low	32	Very low	127 Å²	127	136.1 Å²	136.1	59%	0.593	75%	0.754	S	S	*	*			trans	71.5	109.7	154.4	-66.3	-107.9	101.2	0	0	125.4
212	K	25.5	Very low	31.5	Very low	159 Å²	159	140.7 Å²	140.7	69%	0.691	76%	0.764	S	S	*	*			trans	65.2	121.5	132.6	-66.8	176.5	174.2	129.9	0	123.6
213	V	26.8	Very low	31	Very low	144 Å²	144	143.4 Å²	143.4	87%	0.873	77%	0.773	S	S	*	*				175.1	164.2	104	158.2	0	0	0	0	110.8
214	K	25.5	Very low	30.6	Very low	191 Å²	191	144.5 Å²	144.5	83%	0.83	78%	0.776	S	S	*	*			trans	-137.8	-179.8	-172.3	-108.2	-170.6	178.3	175.3	0	109.7
215	P	51.6	Low	30.7	Very low	105 Å²	105	141.6 Å²	141.6	68%	0.682	78%	0.777	S	S	*	*			cis	-132.4	-135.1	-41.1	41.7	-21.5	0	0	0	108.6
216	P	47.3	Very low	30.5	Very low	121 Å²	121	141.5 Å²	141.5	79%	0.786	78%	0.776	S	S	*	*			cis	-131.9	173.2	-32.3	38.4	-22.6	0	0	0	115.4
217	G	26.4	Very low	30.5	Very low	69 Å²	69	136.9 Å²	136.9	71%	0.711	77%	0.771	S	S	*	*			trans	156.4	102.6	142.8	0	0	0	0	0	121.9
218	K	27.4	Very low	30.5	Very low	211 Å²	211	139.2 Å²	139.2	92%	0.917	77%	0.773	S	S	*	*			trans	61	153.5	141.4	-63.6	180	-180	175.8	0	119
219	V	29.1	Very low	30.5	Very low	137 Å²	137	139.1 Å²	139.1	83%	0.83	77%	0.773	S	S	*	*			cis	-150.5	167.3	-5.5	118.5	0	0	0	0	108.9
220	A	28.9	Very low	31	Very low	81 Å²	81	136.8 Å²	136.8	67%	0.669	77%	0.773	S	S	*	*			trans	-120.5	161.7	-173.6	0	0	0	0	0	115.1
221	N	29.3	Very low	31.6	Very low	131 Å²	131	136.2 Å²	136.2	70%	0.701	78%	0.776	S	S	*	*			trans	-177.4	142.3	138.9	-108.1	-62.4	0	0	0	116
222	K	29.6	Very low	31.6	Very low	176 Å²	176	139.6 Å²	139.6	77%	0.765	79%	0.789	S	S	*	*			trans	45.1	149.9	134.5	-76.8	172.6	-169.1	158.6	0	121.9
223	K	25.6	Very low	31.9	Very low	190 Å²	190	136.2 Å²	136.2	83%	0.826	79%	0.791	S	S	*	*			cis	-161.2	158.1	0.5	-142.8	177	177.9	-171.2	0	111.5
224	T	30.4	Very low	32.3	Very low	121 Å²	121	134.9 Å²	134.9	74%	0.742	79%	0.785	S	S	*	*			trans	-82.6	164.2	168	-7.6	0	0	0	0	112.8
225	P	38.5	Very low	32.5	Very low	131 Å²	131	135.6 Å²	135.6	85%	0.851	79%	0.788	S	S	*	*				-147.7	-177.7	92.6	40.1	-22.6	0	0	0	115.9
226	A	29.8	Very low	31.3	Very low	98 Å²	98	139.9 Å²	139.9	81%	0.81	80%	0.799	S	S	*	*			trans	-141.4	157.2	-176.9	0	0	0	0	0	113.8
227	A	30	Very low	30.3	Very low	93 Å²	93	143.1 Å²	143.1	77%	0.769	80%	0.801	S	S	*	*			trans	-171.5	163.4	170	0	0	0	0	0	111.2
228	K	25.7	Very low	30.7	Very low	203 Å²	203	145.5 Å²	145.5	88%	0.883	80%	0.804	S	S	*	*			cis	-166.8	151	-29.5	-105.7	180	-179.1	179.1	0	108.9
229	T	30.3	Very low	30.6	Very low	133 Å²	133	141.8 Å²	141.8	82%	0.816	80%	0.798	S	S	*	*			trans	-102.5	-179.7	163.2	46.6	0	0	0	0	109.9
230	P	39.4	Very low	30.5	Very low	120 Å²	120	144.3 Å²	144.3	78%	0.779	80%	0.798	S	S	*	*			cis	-125.1	-141.7	10.9	37.7	-12.7	0	0	0	111.1
231	P	39.6	Very low	30.6	Very low	119 Å²	119	146 Å²	146	77%	0.773	80%	0.802	S	S	*	*			cis	-135.6	-118.2	-1	41.2	-17	0	0	0	116.7
232	K	27.1	Very low	30.4	Very low	199 Å²	199	148.8 Å²	148.8	87%	0.865	81%	0.808	S	S	*	*			trans	-155.5	-178.3	-170.4	-51.4	178.5	-179.7	172.3	0	107.9
233	A	30.7	Very low	30.2	Very low	88 Å²	88	149 Å²	149	73%	0.727	81%	0.809	S	S	*	*			cis	-160.7	-147.1	6.8	0	0	0	0	0	107.1
234	P	37	Very low	30.2	Very low	116 Å²	116	148.6 Å²	148.6	75%	0.753	81%	0.81	S	S	*	*			cis	-133.3	170.3	-30.6	38.4	-20.4	0	0	0	116.5
235	K	28.5	Very low	30.1	Very low	205 Å²	205	148.8 Å²	148.8	89%	0.891	81%	0.811	S	S	*	*			trans	13.9	141.4	153.2	-61.1	177.6	178.4	176	0	123.8
236	E	26.9	Very low	29.7	Very low	195 Å²	195	150.5 Å²	150.5	91%	0.911	81%	0.811	S	S	*	*			trans	-156.6	178.5	130.5	-132.4	175.8	-154.8	0	0	115.2
237	K	25.2	Very low	29.6	Very low	189 Å²	189	155.2 Å²	155.2	82%	0.822	81%	0.813	S	S	*	*			trans	-159.9	145.9	-177.1	-100.2	-170.7	179.4	-178.6	0	110.3
238	P	35	Very low	29.7	Very low	119 Å²	119	157 Å²	157	77%	0.773	82%	0.817	S	S	*	*				-134.9	-148.1	90.8	17.9	7	0	0	0	111.7
239	V	26.6	Very low	29.7	Very low	134 Å²	134	150.7 Å²	150.7	81%	0.812	81%	0.81	S	S	*	*			cis	-145.7	-165.7	0.6	-142	0	0	0	0	110.6
240	K	26.6	Very low	29.7	Very low	189 Å²	189	154.3 Å²	154.3	82%	0.822	82%	0.815	S	S	*	*			trans	-152.8	157.2	167.4	-82.4	-167.8	177.2	-178.5	0	111.6
241	P	30.3	Very low	29.3	Very low	116 Å²	116	154.7 Å²	154.7	75%	0.753	82%	0.817	S	S	*	*				-132.9	155.9	102.8	33.3	-18.5	0	0	0	111.9
242	K	24.6	Very low	28.6	Very low	190 Å²	190	153.8 Å²	153.8	83%	0.826	82%	0.819	S	S	*	*				55	131.6	63.3	-67.9	-177.1	178.7	177.5	0	112
243	K	26.2	Very low	28.7	Very low	182 Å²	182	153.3 Å²	153.3	79%	0.791	82%	0.817	S	S	*	*			cis	-151.3	163.7	2.5	-138.6	-173.9	-178.8	-167.8	0	106
244	E	25.2	Very low	28.6	Very low	181 Å²	181	154.8 Å²	154.8	85%	0.846	82%	0.819	S	S	*	*				-168.7	-169.9	77	-82.6	-154.2	128.7	0	0	112.4
245	V	29.3	Very low	28.1	Very low	125 Å²	125	156.3 Å²	156.3	76%	0.758	82%	0.821	S	S	*	*			trans	-140.4	128.6	-163.8	175.6	0	0	0	0	112.6
246	I	29.6	Very low	28.4	Very low	166 Å²	166	151.9 Å²	151.9	85%	0.851	81%	0.813	S	S	*	*			trans	-137.9	137.4	154.8	-59	-176.9	0	0	0	110.4
247	K	26.7	Very low	28.3	Very low	197 Å²	197	149.2 Å²	149.2	86%	0.857	81%	0.811	S	S	*	*			trans	-141.5	141.8	161.4	-89.4	-173.7	176.6	179.8	0	105.6
248	P	33.3	Very low	28.6	Very low	130 Å²	130	145.7 Å²	145.7	84%	0.844	81%	0.807	S	S	*	*				-137.9	-170.3	71.5	35	-15.2	0	0	0	112
249	G	26.1	Very low	28.2	Very low	72 Å²	72	149.7 Å²	149.7	74%	0.742	81%	0.812	S	S	*	*			cis	-170.5	179	1.2	0	0	0	0	0	111.8
250	K	29.8	Very low	28.1	Very low	209 Å²	209	150.4 Å²	150.4	91%	0.909	82%	0.817	S	S	*	*			trans	-100	150.5	174.5	-74.6	-175.7	176.8	-178.2	0	111.6
251	P	30.1	Very low	28	Very low	128 Å²	128	150.7 Å²	150.7	83%	0.831	82%	0.819	S	S	*	*			trans	-97.8	169.5	143.1	33.6	-25.5	0	0	0	111.7
252	A	26.7	Very low	27.7	Very low	99 Å²	99	152.2 Å²	152.2	82%	0.818	83%	0.825	S	S	*	*			trans	-125.7	173.2	-171.9	0	0	0	0	0	113.4
253	K	29.1	Very low	27.7	Very low	189 Å²	189	146.6 Å²	146.6	82%	0.822	82%	0.821	S	S	*	*			trans	-75.3	152.3	170.3	-65.8	-177.8	173.6	-172.1	0	112
254	P	28.7	Very low	27.6	Very low	119 Å²	119	141.8 Å²	141.8	77%	0.773	82%	0.824	S	S	*	*			trans	-94.8	165.3	146.9	36.4	-29.6	0	0	0	112.2
255	D	25.6	Very low	27.8	Very low	148 Å²	148	142.5 Å²	142.5	79%	0.791	83%	0.827	S	S	*	*			trans	-127.4	172.4	176	-106.9	-29.6	0	0	0	110.2
256	P	35.2	Very low	27.7	Very low	112 Å²	112	145.5 Å²	145.5	73%	0.727	83%	0.832	S	S	*	*			trans	-99.5	167.2	-148.9	38	-39.6	0	0	0	118.2
257	T	24.8	Very low	28	Very low	140 Å²	140	142.8 Å²	142.8	86%	0.859	83%	0.826	S	S	*	*			trans	-138	166.5	170.5	32.5	0	0	0	0	111.7
258	P	31.8	Very low	28.2	Very low	115 Å²	115	136.8 Å²	136.8	75%	0.747	82%	0.82	S	S	*	*			trans	-111.4	154.6	-140.1	40	-37.1	0	0	0	119.9
259	K	25.5	Very low	28.3	Very low	202 Å²	202	136.2 Å²	136.2	88%	0.878	81%	0.814	S	S	*	*			trans	29.4	132.1	146.8	-63.6	-177	-179.9	176.9	0	122.1
260	T	25.1	Very low	28.8	Very low	150 Å²	150	137.2 Å²	137.2	92%	0.92	81%	0.805	S	S	*	*			trans	-132.1	169.5	146.3	-56.7	0	0	0	0	108.9
261	K	23.6	Very low	29.2	Very low	195 Å²	195	135.7 Å²	135.7	85%	0.848	79%	0.794	S	S	*	*			trans	-132.5	-179.2	-165	-156.3	-172.8	177.1	-171.2	0	111.9
262	V	24.7	Very low	29.6	Very low	148 Å²	148	133.1 Å²	133.1	90%	0.897	78%	0.779	S	S	*	*			trans	87	140.8	178.4	-171.9	0	0	0	0	112.8
263	G	25.2	Very low	30.3	Very low	71 Å²	71	132.9 Å²	132.9	73%	0.732	76%	0.763	S	S	*	*			cis	-135	172.8	0.7	0	0	0	0	0	113
264	G	24.5	Very low	30.8	Very low	82 Å²	82	127.5 Å²	127.5	85%	0.845	75%	0.746	S	S	*	*			trans	-109.1	161.8	-169.8	0	0	0	0	0	115.5
265	Q	28.4	Very low	31.2	Very low	196 Å²	196	129.2 Å²	129.2	92%	0.916	74%	0.738	S	S	*	*			trans	-110.7	147.6	163.7	-72.9	-179.7	-28.1	0	0	109.6
266	Q	28.3	Very low	31.8	Very low	187 Å²	187	126.4 Å²	126.4	87%	0.874	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-63.7	129.6	-178.1	-70.8	-85.2	-1.5	0	0	111.5
267	P	35.1	Very low	31.7	Very low	109 Å²	109	130 Å²	130	71%	0.708	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-75.1	138.5	170.2	31.3	-32.9	0	0	0	110.8
268	G	31.5	Very low	32	Very low	71 Å²	71	127 Å²	127	73%	0.732	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-65.1	135.5	175.1	0	0	0	0	0	112.1	V270	G268-V270 PolarHBondContact O-N 2.65Å; G268-V270 VanDerWaalsContact O-N 3.15Å
269	V	33.7	Very low	31.9	Very low	119 Å²	119	126.8 Å²	126.8	72%	0.721	71%	0.712	S	S	*	*			trans	-71.6	106.8	-175.3	-177.3	0	0	0	0	111	R271	V269-R271 HydrophobicContact CG1-CG 4.06Å; V269-R271 PolarHBondContact O-N 2.71Å
270	V	38.3	Very low	32	Very low	92 Å²	92	126.6 Å²	126.6	56%	0.558	71%	0.711	S	S	*	*			trans	-75.2	104.1	170.8	179.7	0	0	0	0	108.7	G268 I273	G268-V270 PolarHBondContact O-N 2.65Å; G268-V270 VanDerWaalsContact O-N 3.15Å; V270-I273 HydrophobicContact CG1-CG1 4.14Å
271	R	37.4	Very low	32.1	Very low	178 Å²	178	125.9 Å²	125.9	67%	0.672	71%	0.707	S	S	*	*			trans	-80.5	-16.8	-174.2	-71	-179.3	171.6	171.7	-4.2	115	V269	V269-R271 HydrophobicContact CG1-CG 4.06Å; V269-R271 PolarHBondContact O-N 2.71Å
272	S	37.7	Very low	32.3	Very low	74 Å²	74	123.1 Å²	123.1	52%	0.517	70%	0.701	S	S	.	*			trans	-163.4	149	177.5	57.1	0	0	0	0	113.2
273	I	41.3	Very low	32.5	Very low	94 Å²	94	125.1 Å²	125.1	48%	0.482	70%	0.701	S	S	.	*			trans	-128.2	126.9	168.3	-60.4	175.1	0	0	0	107.8	V270 Y275	V270-I273 HydrophobicContact CG1-CG1 4.14Å; I273-Y275 HydrophobicContact CG2-CD2 4.47Å; I273-Y275 HydrophobicContact CG2-CE1 4.48Å; I273-Y275 HydrophobicContact CG2-CE2 3.86Å
274	T	41	Very low	32.7	Very low	76 Å²	76	129.4 Å²	129.4	47%	0.466	71%	0.707	S	S	.	*			trans	-114	126.2	-178.3	-54.7	0	0	0	0	110.4	Y276	T274-Y276 HydrophobicContact CG2-CE1 4Å; T274-Y276 HydrophobicContact CG2-CE2 4.22Å
275	Y	36.2	Very low	33	Very low	155 Å²	155	132.9 Å²	132.9	61%	0.608	71%	0.706	S	S	*	*			trans	-100.3	125.4	178.5	-61.3	-91.1	0	0	0	110.4	I273	I273-Y275 HydrophobicContact CG2-CD2 4.47Å; I273-Y275 HydrophobicContact CG2-CE1 4.48Å; I273-Y275 HydrophobicContact CG2-CE2 3.86Å
276	Y	37.7	Very low	33	Very low	88 Å²	88	132.8 Å²	132.8	35%	0.345	71%	0.706	S	S	.	*			trans	-103.9	119.4	-179.8	-63.8	-74	0	0	0	111.4	Y68 C83 T274	Y68-Y276 HydrophobicContact CE2-CD2 4.37Å; Y68-Y276 WeakPolarHBondContact OH-CB 3.25Å; C83-Y276 PolarHBondContact O-OH 3.38Å; T274-Y276 HydrophobicContact CG2-CE1 4Å; T274-Y276 HydrophobicContact CG2-CE2 4.22Å
277	K	34.3	Very low	33.1	Very low	187 Å²	187	136 Å²	136	81%	0.813	71%	0.71	S	S	*	*			trans	-95.2	112.2	176.4	-177.4	-178.4	178.2	-176.9	0	110.3	S279	K277-S279 PolarHBondContact O-N 2.8Å
278	A	30.9	Very low	32.6	Very low	79 Å²	79	134.6 Å²	134.6	65%	0.653	72%	0.715	S	S	*	*			trans	-66.7	122.3	174.5	0	0	0	0	0	111
279	S	29.2	Very low	32.5	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	71%	0.714	S	S	*	*			trans	-83.5	135.5	171.6	-61.9	0	0	0	0	109.6	K277 T281	K277-S279 PolarHBondContact O-N 2.8Å; S279-T281 PolarHBondContact O-N 2.99Å
280	K	28.4	Very low	32.2	Very low	198 Å²	198	140 Å²	140	86%	0.861	72%	0.717	S	S	*	*			trans	-73.6	113.3	169.3	-76.6	-173.1	175	-176	0	109.4	N282	K280-N282 PolarHBondContact O-N 3.43Å
281	T	27.1	Very low	31.7	Very low	135 Å²	135	140.5 Å²	140.5	83%	0.828	73%	0.725	S	S	*	*			trans	-73.9	96.8	162	38.7	0	0	0	0	109.5	S279	S279-T281 PolarHBondContact O-N 2.99Å
282	N	27.4	Very low	31.1	Very low	137 Å²	137	138.6 Å²	138.6	73%	0.733	73%	0.733	S	S	*	*			trans	-73.2	141.3	152.5	-74.3	6.9	0	0	0	107.8	K280	K280-N282 PolarHBondContact O-N 3.43Å
283	Q	30.1	Very low	30.4	Very low	189 Å²	189	144 Å²	144	88%	0.883	75%	0.747	S	S	*	*			trans	-85	120.5	165.6	-68.3	178	-59.1	0	0	108.4
284	D	28.1	Very low	29.7	Very low	161 Å²	161	145.5 Å²	145.5	86%	0.861	76%	0.761	S	S	*	*			trans	-156.8	124.2	157.1	-92.9	-45.9	0	0	0	107.5
285	D	30.2	Very low	28.9	Very low	155 Å²	155	150.8 Å²	150.8	83%	0.829	78%	0.78	S	S	*	*			trans	-87.3	122	-177.4	-84	-59.5	0	0	0	111.8
286	Q	28.8	Very low	28.4	Very low	194 Å²	194	148.5 Å²	148.5	91%	0.907	78%	0.784	S	S	*	*			trans	-163.7	115.4	141.5	-113.1	148.7	107.1	0	0	116.5
287	R	30.9	Very low	27.8	Very low	256 Å²	256	151 Å²	151	97%	0.966	81%	0.808	S	S	*	*			trans	3.4	117	146.3	-164.2	-178.3	-150.8	-131.5	4.4	118.6
288	G	25.1	Very low	27.4	Very low	79 Å²	79	149.3 Å²	149.3	81%	0.814	80%	0.803	S	S	*	*			trans	-165.3	142.4	161.9	0	0	0	0	0	111.7
289	D	28	Very low	27.1	Very low	133 Å²	133	154.3 Å²	154.3	71%	0.711	81%	0.812	S	S	*	*			trans	-112.6	132	179.9	172.8	16.7	0	0	0	109.5
290	H	27.6	Very low	26.9	Very low	169 Å²	169	155 Å²	155	78%	0.782	81%	0.807	S	S	*	*			trans	170.4	158.8	130.7	-84.1	-15.1	0	0	0	114.7
291	S	27.7	Very low	26.8	Very low	103 Å²	103	152.2 Å²	152.2	72%	0.72	81%	0.807	S	S	*	*			trans	-71.8	157.8	178.5	-174.8	0	0	0	0	113.4
292	V	25.9	Very low	26.6	Very low	139 Å²	139	153.3 Å²	153.3	84%	0.842	80%	0.802	S	S	*	*				-169.8	163.7	123.1	140.1	0	0	0	0	112.7
293	K	23.8	Very low	26.4	Very low	186 Å²	186	155 Å²	155	81%	0.809	81%	0.811	S	S	*	*			trans	-78.3	168.2	-162.8	-59.1	166.2	-179.9	173.8	0	116.2
294	T	26	Very low	26.1	Very low	126 Å²	126	154.7 Å²	154.7	77%	0.773	81%	0.81	S	S	*	*			trans	-52.8	152.2	160.2	23.3	0	0	0	0	114.9
295	H	23.1	Very low	27.1	Very low	187 Å²	187	151.6 Å²	151.6	87%	0.866	80%	0.799	S	S	*	*				-160.6	144	129.3	-97.3	-67.6	0	0	0	110.9
296	P	26.8	Very low	26.9	Very low	107 Å²	107	152.9 Å²	152.9	70%	0.695	80%	0.799	S	S	*	*			trans	-89.9	161.4	171.4	36.7	-33.9	0	0	0	111.9
297	V	24.5	Very low	26.8	Very low	140 Å²	140	151.1 Å²	151.1	85%	0.848	80%	0.796	S	S	*	*			trans	-119.4	122.6	171.3	176	0	0	0	0	109.2
298	H	26.4	Very low	26.5	Very low	153 Å²	153	141.9 Å²	141.9	71%	0.708	78%	0.781	S	S	*	*			trans	-75.6	153.5	168.2	-82.6	-111.2	0	0	0	110.6
299	H	24.8	Very low	26.5	Very low	183 Å²	183	142.3 Å²	142.3	85%	0.847	79%	0.785	S	S	*	*			trans	-139.7	124.5	134.7	-124.9	-72.6	0	0	0	110.3
300	L	24.9	Very low	26.3	Very low	125 Å²	125	142.4 Å²	142.4	65%	0.654	79%	0.79	S	S	*	*			trans	-91.7	155.2	164.6	-73	162.5	0	0	0	108.6
301	T	24.7	Very low	26.2	Very low	140 Å²	140	143.4 Å²	143.4	86%	0.859	80%	0.796	S	S	*	*			trans	-144.2	119.2	143.7	-16.9	0	0	0	0	107.1
302	E	24	Very low	26	Very low	158 Å²	158	144.2 Å²	144.2	74%	0.738	80%	0.796	S	S	*	*			trans	-79	165	172	-67.3	152.4	121.5	0	0	110.4
303	N	23.3	Very low	25.9	Very low	173 Å²	173	144.7 Å²	144.7	93%	0.925	79%	0.792	S	S	*	*			trans	-162.5	130	140.8	-92	-34.5	0	0	0	108.6
304	E	23.4	Very low	25.9	Very low	181 Å²	181	143.5 Å²	143.5	85%	0.846	79%	0.794	S	S	*	*			trans	-141.6	174.1	-177.6	-113.1	-156.6	168.2	0	0	107.4
305	P	49.4	Very low	25.8	Very low	97 Å²	97	145.9 Å²	145.9	63%	0.63	80%	0.797	S	S	*	*			cis	-133.3	-124.4	-23.4	35.8	-15	0	0	0	110.2
306	E	25.3	Very low	26.2	Very low	181 Å²	181	142.3 Å²	142.3	85%	0.846	79%	0.79	S	S	*	*			trans	74.2	135.3	173.3	-67.5	-172.4	-169.6	0	0	117.3
307	D	26.3	Very low	26.2	Very low	158 Å²	158	142.9 Å²	142.9	85%	0.845	79%	0.791	S	S	*	*			cis	-154.8	162.9	-5.3	173.6	45.7	0	0	0	110.9
308	G	25.2	Very low	26.3	Very low	62 Å²	62	144.7 Å²	144.7	64%	0.639	79%	0.79	S	S	*	*			trans	110.3	120.9	139.6	0	0	0	0	0	119.6
309	G	24.9	Very low	26.3	Very low	87 Å²	87	141.1 Å²	141.1	90%	0.897	80%	0.795	S	S	*	*			trans	109.4	90.8	141.3	0	0	0	0	0	118.8
310	T	24.5	Very low	26.3	Very low	135 Å²	135	138.2 Å²	138.2	83%	0.828	79%	0.79	S	S	*	*			trans	-89.6	142.2	159	50.5	0	0	0	0	111.6
311	E	24.8	Very low	26.3	Very low	191 Å²	191	138.8 Å²	138.8	89%	0.893	80%	0.799	S	S	*	*			trans	-163.1	177.7	137.5	-120.7	173.2	-159	0	0	113.2
312	T	23.3	Very low	26.4	Very low	120 Å²	120	135.8 Å²	135.8	74%	0.736	79%	0.788	S	S	*	*			trans	-156.4	157.3	-149.1	-34.5	0	0	0	0	114.4
313	I	23.8	Very low	26.7	Very low	148 Å²	148	136.8 Å²	136.8	76%	0.759	79%	0.793	S	S	*	*			trans	75.3	145.6	162.8	-23	175	0	0	0	118.8
314	L	23.6	Very low	26.7	Very low	162 Å²	162	132.9 Å²	132.9	85%	0.848	78%	0.776	S	S	*	*			trans	112	103.6	147.6	-64.7	177.3	0	0	0	120.3
315	E	24.7	Very low	26.9	Very low	176 Å²	176	133.6 Å²	133.6	82%	0.822	78%	0.776	S	S	*	*			trans	-64.2	157	135.1	-98.8	-175	178.8	0	0	110.3
316	P	31.9	Very low	25.9	Very low	112 Å²	112	135.3 Å²	135.3	73%	0.727	78%	0.78	S	S	*	*				-158.3	175.1	71.4	45.3	-24.5	0	0	0	118.9
317	V	26.7	Very low	26.3	Very low	119 Å²	119	132.7 Å²	132.7	72%	0.721	78%	0.779	S	S	*	*				32.1	136.6	129.2	-177	0	0	0	0	118.4
318	E	26.4	Very low	26.4	Very low	177 Å²	177	131 Å²	131	83%	0.827	77%	0.774	S	S	*	*			cis	-159.9	-177.1	32.6	-149	148.9	-138.4	0	0	113.3
319	G	25.6	Very low	26.5	Very low	78 Å²	78	134.5 Å²	134.5	80%	0.804	78%	0.784	S	S	*	*			trans	169.2	93.1	162.5	0	0	0	0	0	117
320	T	24.8	Very low	26.7	Very low	122 Å²	122	134.5 Å²	134.5	75%	0.748	78%	0.775	S	S	*	*			trans	-124.6	133.5	-166	-52.2	0	0	0	0	115.5
321	V	26.8	Very low	26.8	Very low	137 Å²	137	133.1 Å²	133.1	83%	0.83	77%	0.771	S	S	*	*			trans	-158	133.4	152.6	-130.1	0	0	0	0	106.3
322	A	26.5	Very low	27	Very low	78 Å²	78	132.1 Å²	132.1	65%	0.645	77%	0.77	S	S	*	*			cis	73.5	136.8	33.4	0	0	0	0	0	113.5
323	E	28.9	Very low	27.1	Very low	178 Å²	178	133 Å²	133	83%	0.832	77%	0.77	S	S	*	*			cis	-156.9	-173	-2.1	-136.3	173.7	-154.9	0	0	113.3
324	T	23.6	Very low	27.2	Very low	92 Å²	92	132.8 Å²	132.8	56%	0.564	78%	0.776	S	S	*	*			trans	-34.1	160.2	176	38	0	0	0	0	119.4
325	F	28.1	Very low	27.4	Very low	195 Å²	195	130.5 Å²	130.5	86%	0.855	77%	0.769	S	S	*	*				-167.5	165.6	68.7	-94.5	-80.4	0	0	0	115.9
326	D	27.5	Very low	27.4	Very low	133 Å²	133	128.9 Å²	128.9	71%	0.711	77%	0.771	S	S	*	*			trans	-123.9	153.9	171.6	-166.7	16.8	0	0	0	108.7
327	P	34.8	Very low	27.1	Very low	126 Å²	126	129 Å²	129	82%	0.818	77%	0.77	S	S	*	*				-152.8	164.8	122.6	38	-20.5	0	0	0	117.8
328	T	27.2	Very low	27.1	Very low	122 Å²	122	129 Å²	129	75%	0.748	77%	0.771	S	S	*	*			trans	-93.7	150.1	-175.1	-34	0	0	0	0	115.3
329	T	27.5	Very low	27.1	Very low	137 Å²	137	126.4 Å²	126.4	84%	0.84	77%	0.767	S	S	*	*			trans	-166.3	134.4	138.1	-3.8	0	0	0	0	115.5
330	A	28.8	Very low	27.3	Very low	86 Å²	86	127.3 Å²	127.3	71%	0.711	77%	0.766	S	S	*	*			trans	42.5	166.7	140.2	0	0	0	0	0	123.5
331	S	26.7	Very low	27.3	Very low	107 Å²	107	127.6 Å²	127.6	75%	0.748	77%	0.768	S	S	*	*			cis	179.6	150.4	-36.4	-81.7	0	0	0	0	108.2
332	I	29.5	Very low	27.3	Very low	169 Å²	169	127.3 Å²	127.3	87%	0.867	77%	0.767	S	S	*	*			trans	-176.1	141.8	149.5	-103	155.9	0	0	0	111.1
333	D	26.8	Very low	27.2	Very low	140 Å²	140	129.9 Å²	129.9	75%	0.749	78%	0.775	S	S	*	*			trans	-98.4	166.9	-178.8	-55	-80.5	0	0	0	114.1
334	T	25.4	Very low	27	Very low	143 Å²	143	126.6 Å²	126.6	88%	0.877	77%	0.767	S	S	*	*			trans	-155.1	137.7	136.7	-65.3	0	0	0	0	109.7
335	T	26.7	Very low	27.1	Very low	114 Å²	114	128.3 Å²	128.3	70%	0.699	78%	0.777	S	S	*	*			trans	-124	146.3	-172.8	-35.2	0	0	0	0	111.5
336	T	24.9	Very low	27	Very low	142 Å²	142	124.8 Å²	124.8	87%	0.871	77%	0.772	S	S	*	*			trans	-147.8	153.2	159.8	-7.2	0	0	0	0	111.6
337	T	25.1	Very low	26.9	Very low	114 Å²	114	124.3 Å²	124.3	70%	0.699	77%	0.774	S	S	*	*			trans	-138.1	176.4	-160.2	-40.2	0	0	0	0	111.3
338	T	27.4	Very low	26.6	Very low	120 Å²	120	127.8 Å²	127.8	74%	0.736	78%	0.782	S	S	*	*			trans	75.8	146.1	158	17.7	0	0	0	0	116.8
339	T	26.2	Very low	26.5	Very low	122 Å²	122	127.1 Å²	127.1	75%	0.748	78%	0.782	S	S	*	*			cis	-147.6	163.6	0.6	-36.4	0	0	0	0	109.8
340	A	29.4	Very low	26.5	Very low	96 Å²	96	127.7 Å²	127.7	79%	0.793	79%	0.786	S	S	*	*			trans	-99.8	147.9	162.9	0	0	0	0	0	111.6
341	T	25.7	Very low	26.3	Very low	129 Å²	129	130.1 Å²	130.1	79%	0.791	79%	0.792	S	S	*	*			trans	-138.5	134.3	176.4	-49.7	0	0	0	0	111
342	T	25.6	Very low	26.3	Very low	130 Å²	130	130.9 Å²	130.9	80%	0.798	80%	0.797	S	S	*	*			trans	-97.2	146.4	178.2	-41.7	0	0	0	0	110.9
343	T	25.3	Very low	26.1	Very low	132 Å²	132	131.6 Å²	131.6	81%	0.81	80%	0.797	S	S	*	*			trans	-137.8	136.9	168.8	-31.1	0	0	0	0	111
344	T	24.5	Very low	26.6	Very low	110 Å²	110	129.7 Å²	129.7	68%	0.675	79%	0.792	S	S	*	*			trans	-130.7	178.8	178.7	47.6	0	0	0	0	110.8
345	T	25.7	Very low	26.5	Very low	127 Å²	127	129.4 Å²	129.4	78%	0.779	79%	0.791	S	S	*	*			trans	67.9	144	173.3	37.9	0	0	0	0	115.8
346	T	26	Very low	26.6	Very low	122 Å²	122	130.2 Å²	130.2	75%	0.748	80%	0.795	S	S	*	*			cis	-145.8	165.6	8.8	-19.7	0	0	0	0	112.7
347	T	24.9	Very low	26.7	Very low	123 Å²	123	129.4 Å²	129.4	76%	0.755	79%	0.79	S	S	*	*			trans	-41.5	150.7	171.5	50.9	0	0	0	0	118.2
348	M	29	Very low	27	Very low	199 Å²	199	130.3 Å²	130.3	98%	0.98	80%	0.796	S	S	*	*				-143.6	157.3	124.6	-117.1	-175.9	-177.8	0	0	111
349	S	25.4	Very low	27	Very low	107 Å²	107	130.4 Å²	130.4	75%	0.748	80%	0.798	S	S	*	*			trans	-131.9	140.3	-164.9	56.2	0	0	0	0	113
350	T	26.8	Very low	26.9	Very low	149 Å²	149	135.6 Å²	135.6	91%	0.914	80%	0.804	S	S	*	*			trans	-136.7	143.5	162.4	38.3	0	0	0	0	110.1
351	T	25	Very low	26.7	Very low	137 Å²	137	136.2 Å²	136.2	84%	0.84	80%	0.803	S	S	*	*			trans	-120.3	126.6	-168.8	-50.5	0	0	0	0	110.7
352	S	28	Very low	26.8	Very low	123 Å²	123	138.4 Å²	138.4	86%	0.86	80%	0.804	S	S	*	*			trans	-158.7	118.8	162.1	57	0	0	0	0	112.3
353	E	24.7	Very low	27	Very low	185 Å²	185	143.4 Å²	143.4	86%	0.864	81%	0.808	S	S	*	*			trans	-135.6	168.4	168.2	-116.4	-168.2	-168.1	0	0	106.7
354	P	36.8	Very low	27.2	Very low	99 Å²	99	143 Å²	143	64%	0.643	81%	0.808	S	S	*	*			cis	-130.6	164.5	-19.1	38.3	-24.7	0	0	0	112.6
355	T	24.3	Very low	27.3	Very low	138 Å²	138	141.7 Å²	141.7	85%	0.847	81%	0.808	S	S	*	*			trans	-142.6	118.2	156.3	-36.2	0	0	0	0	111.2
356	T	28.2	Very low	27.4	Very low	130 Å²	130	141.3 Å²	141.3	80%	0.798	81%	0.808	S	S	*	*			trans	-90.4	113	-175.1	-47.1	0	0	0	0	111.8
357	T	26.2	Very low	27.7	Very low	125 Å²	125	140.7 Å²	140.7	77%	0.767	81%	0.805	S	S	*	*			trans	-136.4	109.2	168.9	41.1	0	0	0	0	111.7	P359	T357-P359 WeakPolarHBondContact O-CD 3.33Å
358	T	31.7	Very low	28.1	Very low	134 Å²	134	141.3 Å²	141.3	82%	0.822	80%	0.802	S	S	*	*			trans	-83.4	133.8	173	51.1	0	0	0	0	112.2
359	P	27.5	Very low	28.4	Very low	121 Å²	121	135.9 Å²	135.9	79%	0.786	78%	0.78	S	S	*	*			trans	-115	107.4	151.2	31.3	-19.2	0	0	0	111.4	T357	T357-P359 WeakPolarHBondContact O-CD 3.33Å
360	R	24.8	Very low	28.8	Very low	231 Å²	231	132.2 Å²	132.2	87%	0.872	75%	0.752	S	S	*	*			trans	16.8	110.7	141.3	-170.9	179.1	-168.3	161.5	1.1	117.1	E362	R360-E362 PolarHBondContact O-N 3.28Å
361	S	25.3	Very low	29.3	Very low	109 Å²	109	130.4 Å²	130.4	76%	0.762	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-59.7	129.5	164.2	160.9	0	0	0	0	111
362	E	28	Very low	29.8	Very low	175 Å²	175	126 Å²	126	82%	0.818	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-88.2	144.8	156.2	-61.8	-168.8	141.4	0	0	108.9	R360	R360-E362 PolarHBondContact O-N 3.28Å
363	R	29.1	Very low	30	Very low	235 Å²	235	125.9 Å²	125.9	89%	0.887	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-98.2	129.1	171.6	-79.3	-178.9	169.5	-178.4	-4.9	108.6
364	P	28.3	Very low	30.8	Very low	123 Å²	123	123 Å²	123	80%	0.799	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-55.5	149	159.1	-22.9	34.4	0	0	0	110.8
365	A	27.3	Very low	30.8	Very low	83 Å²	83	122.7 Å²	122.7	69%	0.686	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-65.8	153.7	169.9	0	0	0	0	0	110.4	T367	A365-T367 PolarHBondContact O-N 2.72Å; A365-T367 VanDerWaalsContact O-N 3.16Å
366	P	29.1	Very low	31.2	Very low	120 Å²	120	123 Å²	123	78%	0.779	69%	0.688	S	S	*	*			trans	-68.5	114.6	-178.3	27.5	-34.2	0	0	0	111.3	I368	P366-I368 PolarHBondContact O-N 3.41Å
367	T	31.7	Very low	31.8	Very low	109 Å²	109	124.1 Å²	124.1	67%	0.669	69%	0.689	S	S	*	*			trans	-61.5	120.6	162.3	-52.1	0	0	0	0	108.4	A365 V369	A365-T367 PolarHBondContact O-N 2.72Å; A365-T367 VanDerWaalsContact O-N 3.16Å; T367-V369 PolarHBondContact O-N 2.79Å
368	I	32.8	Very low	32.4	Very low	135 Å²	135	125.7 Å²	125.7	69%	0.692	69%	0.693	S	S	*	*			trans	-77.5	103.4	173.1	-61.6	176.6	0	0	0	107	P366 L370	P366-I368 PolarHBondContact O-N 3.41Å; I368-L370 PolarHBondContact O-N 2.9Å
369	V	34.8	Very low	32.8	Very low	86 Å²	86	124.1 Å²	124.1	52%	0.521	69%	0.687	S	S	.	*			trans	-70	117.9	174	-178.5	0	0	0	0	108.5	T367 V371 I647	T367-V369 PolarHBondContact O-N 2.79Å; V369-V371 HydrophobicContact CG1-CG2 4Å; V369-V371 PolarHBondContact O-N 2.63Å; V369-V371 VanDerWaalsContact O-N 3.09Å; V369-I647 HydrophobicContact CG1-CD1 3.87Å
370	L	34.4	Very low	33.2	Very low	30 Å²	30	129.9 Å²	129.9	16%	0.157	69%	0.693	C	S	.	*			trans	-71.2	97.7	164.9	-77.4	177.3	0	0	0	108.3	I368 L372 T395 A597 A606	I368-L370 PolarHBondContact O-N 2.9Å; L370-L372 PolarHBondContact O-N 3.02Å; L370-T395 HydrophobicContact CB-CG2 4.06Å; L370-T395 PolarHBondContact O-OG1 2.66Å; L370-A597 HydrophobicContact CD1-CB 4.26Å; L370-A606 HydrophobicContact CD1-CB 3.76Å; L370-A606 HydrophobicContact CD2-CB 3.96Å; L370-A606 HydrophobicContact CG-CB 3.78Å
371	V	37.6	Very low	33.8	Very low	111 Å²	111	123.7 Å²	123.7	67%	0.673	68%	0.683	S	S	*	*			trans	-82.1	110.3	172.1	-179.3	0	0	0	0	108.3	V369 D373	V369-V371 HydrophobicContact CG1-CG2 4Å; V369-V371 PolarHBondContact O-N 2.63Å; V369-V371 VanDerWaalsContact O-N 3.09Å; V371-D373 PolarHBondContact O-N 2.82Å; V371-D373 VanDerWaalsContact O-N 3.11Å
372	L	36	Very low	34.5	Very low	43 Å²	43	122.2 Å²	122.2	23%	0.225	67%	0.673	C	S	.	*			trans	-71.9	98.1	168.4	-79.1	165.8	0	0	0	108.6	L370 N374	L370-L372 PolarHBondContact O-N 3.02Å; L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 3.04Å
373	D	32.1	Very low	34.8	Very low	121 Å²	121	122.3 Å²	122.3	65%	0.647	68%	0.678	S	S	*	*			trans	-73.5	85.7	179.5	-167.9	-14.4	0	0	0	110.7	V371 S375	V371-D373 PolarHBondContact O-N 2.82Å; V371-D373 VanDerWaalsContact O-N 3.11Å; D373-S375 PolarHBondContact O-N 3.09Å; D373-S375 WeakPolarHBondContact OD1-CB 3.47Å; D373-S375 PolarHBondContact OD1-OG 2.95Å
374	N	40.3	Very low	35.5	Very low	126 Å²	126	114.5 Å²	114.5	67%	0.674	65%	0.652	S	S	*	*			trans	-71.2	20.1	-172.1	-154.8	2	0	0	0	114.1	L372 N376	L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 3.04Å; N374-N376 PolarHBondContact O-N 2.83Å
375	S	37.1	Very low	36	Very low	92 Å²	92	119.3 Å²	119.3	64%	0.643	65%	0.654	S	S	*	*			trans	-79.4	-6.4	-167.6	-63.9	0	0	0	0	115.7	D373	D373-S375 PolarHBondContact O-N 3.09Å; D373-S375 WeakPolarHBondContact OD1-CB 3.47Å; D373-S375 PolarHBondContact OD1-OG 2.95Å
376	N	32.8	Very low	36.4	Very low	144 Å²	144	123.9 Å²	123.9	77%	0.77	66%	0.661	S	S	*	*			trans	-114.2	64.5	-174.4	-87.4	-57.4	0	0	0	113.7	N374 N378	N374-N376 PolarHBondContact O-N 2.83Å; N376-N378 PolarHBondContact O-N 3.44Å
377	N	40.1	Very low	37	Very low	154 Å²	154	120.7 Å²	120.7	82%	0.824	65%	0.649	S	S	*	*			trans	-74.4	64.4	178.2	-161.6	-7.6	0	0	0	112.6
378	N	40.5	Very low	37.6	Very low	158 Å²	158	124.1 Å²	124.1	85%	0.845	66%	0.655	S	S	*	*			trans	-145.2	16.2	-179.2	-113.7	-38.7	0	0	0	113.6	N376 R380	N376-N378 PolarHBondContact O-N 3.44Å; N378-R380 PolarHBondContact O-N 3.23Å
379	S	38.6	Very low	38.6	Very low	101 Å²	101	123.8 Å²	123.8	71%	0.706	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-77.5	116.4	169.7	46.5	0	0	0	0	110.3
380	R	36.1	Very low	40.5	Very low	241 Å²	241	121.7 Å²	121.7	91%	0.909	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-54	122	178	-178.6	-177	-172.4	170.8	2.8	110.1	N378 S382	N378-R380 PolarHBondContact O-N 3.23Å; R380-S382 PolarHBondContact O-N 3.42Å
381	P	38.7	Very low	42.7	Very low	102 Å²	102	126 Å²	126	66%	0.662	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-62.4	133.5	-170.1	22.7	-33.6	0	0	0	112.1	L383	P381-L383 PolarHBondContact O-N 3.49Å
382	S	39.3	Very low	45.1	Very low	78 Å²	78	123.5 Å²	123.5	55%	0.545	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-60.4	128.6	169.9	40.1	0	0	0	0	109.5	R380 H384	R380-S382 PolarHBondContact O-N 3.42Å; S382-H384 VanDerWaalsContact C-N 3.27Å; S382-H384 PolarHBondContact O-CD2 2.92Å; S382-H384 VanDerWaalsContact O-CD2 3.25Å; S382-H384 PolarHBondContact O-N 2.8Å; S382-H384 PolarHBondContact OG-CD2 2.91Å; S382-H384 PolarHBondContact OG-NE2 2.85Å; S382-H384 VanDerWaalsContact OG-NE2 3.08Å
383	L	34.7	Very low	47.4	Very low	176 Å²	176	126 Å²	126	92%	0.921	66%	0.66	S	S	*	*			trans	-76.7	76.2	-176.6	-88.6	162.6	0	0	0	111.5	P381 R385	P381-L383 PolarHBondContact O-N 3.49Å; L383-R385 PolarHBondContact O-N 3.19Å
384	H	43.8	Very low	50	Low	72 Å²	72	120.9 Å²	120.9	33%	0.333	64%	0.635	S	S	.	*			trans	-63.9	98.1	164.4	-65.4	-89.8	0	0	0	108.7	S382 E386	S382-H384 VanDerWaalsContact C-N 3.27Å; S382-H384 PolarHBondContact O-CD2 2.92Å; S382-H384 VanDerWaalsContact O-CD2 3.25Å; S382-H384 PolarHBondContact O-N 2.8Å; S382-H384 PolarHBondContact OG-CD2 2.91Å; S382-H384 PolarHBondContact OG-NE2 2.85Å; S382-H384 VanDerWaalsContact OG-NE2 3.08Å; H384-E386 PolarHBondContact O-N 2.89Å
385	R	37.4	Very low	52.4	Low	223 Å²	223	115.6 Å²	115.6	84%	0.842	61%	0.607	S	S	*	*	S	Bend	trans	-66.7	102.4	171.4	174.8	170.7	-90.8	175.9	-6.9	108.4	L383	L383-R385 PolarHBondContact O-N 3.19Å
386	E	37.2	Very low	55.1	Low	180 Å²	180	111.6 Å²	111.6	84%	0.841	58%	0.579	S	S	*	*	S	Bend	trans	78.1	94.1	176.3	-57.5	-178.3	-174.4	0	0	117.2	H384	H384-E386 PolarHBondContact O-N 2.89Å
387	G	40.9	Very low	58	Low	52 Å²	52	106.6 Å²	106.6	54%	0.536	56%	0.557	S	S	.	*	S	Bend	trans	115.1	94.9	137.2	0	0	0	0	0	117.7
388	K	44.8	Very low	60.7	Low	182 Å²	182	101.6 Å²	101.6	79%	0.791	54%	0.535	S	S	*	.			trans	63.7	129.3	177.2	-62.1	-172.1	175	-170.6	0	115
389	I	53.1	Low	63.4	Low	128 Å²	128	95.1 Å²	95.1	66%	0.656	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-70.6	130.6	154.6	-59.5	169.7	0	0	0	105.6
390	L	74.1	Confident	66.1	Low	42 Å²	42	94.4 Å²	94.4	22%	0.22	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-84.8	117.2	164.8	-64.8	172.9	0	0	0	105.6	P419 E524 P626	L390-P419 HydrophobicContact CD1-CB 4.49Å; L390-E524 HydrophobicContact CB-CB 4.35Å; L390-E524 HydrophobicContact CB-CG 4.2Å; L390-E524 WeakPolarHBondContact O-CB 3.31Å; L390-P626 HydrophobicContact CD1-CB 3.84Å; L390-P626 HydrophobicContact CD1-CG 3.74Å
391	N	82.3	Confident	69	Low	121 Å²	121	88.8 Å²	88.8	65%	0.647	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-82.3	137.1	-179.3	-71.6	8.7	0	0	0	109.1
392	C	87.7	Confident	71.8	Confident	58 Å²	58	85.1 Å²	85.1	39%	0.392	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-64.1	142.7	166	-179.6	0	0	0	0	110.2	G394 C578	C392-G394 PolarHBondContact SG-N 2.94Å; C392-C578 VanDerWaalsContact CA-SG 3.5Å; C392-C578 HydrophobicContact CB-CB 3.9Å; C392-C578 WeakPolarHBondContact CB-SG 3.21Å; C392-C578 WeakPolarHBondContact SG-CB 3.36Å; C392-C578 CovalentContact SG-SG 2.02Å; C392-C578 PolarHBondContact SG-SG 3.49Å
393	E	83.1	Confident	74.5	Confident	96 Å²	96	86.5 Å²	86.5	45%	0.449	44%	0.443	S	S	.	.			trans	-108	15	174.7	-63	-163.7	154.5	0	0	113.3	K629 F646	E393-K629 VanDerWaalsContact CD-CE 3.49Å; E393-K629 IonicContact OE1-NZ 2.71Å; E393-K629 PolarHBondContact OE1-NZ 3.41Å; E393-K629 WeakPolarHBondContact OE2-CD 3.47Å; E393-K629 WeakPolarHBondContact OE2-CE 3.48Å; E393-K629 IonicContact OE2-NZ 3.01Å; E393-K629 PolarHBondContact OE2-NZ 2.88Å; E393-F646 HydrophobicContact CB-CB 4.4Å; E393-F646 HydrophobicContact CB-CD1 4.33Å; E393-F646 HydrophobicContact CB-CD2 3.8Å; E393-F646 HydrophobicContact CB-CE2 4.15Å; E393-F646 HydrophobicContact CB-CG 3.91Å; E393-F646 VanDerWaalsContact O-CB 3.27Å; E393-F646 WeakPolarHBondContact O-CB 3.45Å
394	G	86.8	Confident	77.5	Confident	12 Å²	12	82.4 Å²	82.4	12%	0.124	42%	0.418	C	S	.	.			trans	105.6	-158.3	173	0	0	0	0	0	113.8	C392 F646	C392-G394 PolarHBondContact SG-N 2.94Å; G394-F646 WeakPolarHBondContact O-CD1 3.2Å
395	T	90.9	Very high	80	Confident	16 Å²	16	79.8 Å²	79.8	10%	0.098	41%	0.406	C	S	.	.	S	Bend	trans	-77.9	139.7	179.6	-56.9	0	0	0	0	110.3	L370 A397 F646 I647	L370-T395 HydrophobicContact CB-CG2 4.06Å; L370-T395 PolarHBondContact O-OG1 2.66Å; T395-A397 PolarHBondContact O-N 3.25Å; T395-F646 WeakPolarHBondContact O-CA 3.4Å; T395-I647 HydrophobicContact CG2-CD1 4.15Å; T395-I647 PolarHBondContact O-N 2.83Å
396	L	94.6	Very high	82.8	Confident	8 Å²	8	71.1 Å²	71.1	4%	0.042	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	120.7	172.3	-179	66.1	0	0	0	111.1	S398 I399 F575 I577 Y582 L610 V644	L396-S398 WeakPolarHBondContact CD1-O 3.27Å; L396-I399 HydrophobicContact CD1-CG1 4.32Å; L396-I399 HydrophobicContact CD2-CD1 4.19Å; L396-I399 HydrophobicContact CD2-CG1 4.16Å; L396-F575 HydrophobicContact CD2-CE2 4.05Å; L396-F575 HydrophobicContact CD2-CZ 4.08Å; L396-I577 HydrophobicContact CD1-CD1 4.39Å; L396-I577 HydrophobicContact CD2-CD1 4.48Å; L396-Y582 HydrophobicContact CB-CE1 4.03Å; L396-Y582 HydrophobicContact CB-CE2 4.14Å; L396-Y582 WeakPolarHBondContact CB-OH 3.5Å; L396-Y582 HydrophobicContact CD2-CD1 4.19Å; L396-Y582 HydrophobicContact CD2-CD2 4.47Å; L396-Y582 HydrophobicContact CD2-CE1 4.17Å; L396-Y582 HydrophobicContact CD2-CE2 4.46Å; L396-Y582 HydrophobicContact CD2-CG 4.34Å; L396-Y582 PolarHBondContact N-OH 3.25Å; L396-L610 HydrophobicContact CB-CD1 4.43Å; L396-L610 HydrophobicContact CD2-CD1 3.78Å; L396-L610 HydrophobicContact CG-CD1 3.71Å; L396-V644 HydrophobicContact CD1-CB 3.64Å; L396-V644 HydrophobicContact CD1-CG1 3.84Å
397	A	94	Very high	85.5	Confident	38 Å²	38	65.6 Å²	65.6	31%	0.314	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-41.4	178.7	0	0	0	0	0	113	T395 L610 N645 F646 I647	T395-A397 PolarHBondContact O-N 3.25Å; A397-L610 WeakPolarHBondContact O-CD2 3.43Å; A397-N645 WeakPolarHBondContact CA-O 3.47Å; A397-N645 WeakPolarHBondContact CB-O 3.44Å; A397-N645 PolarHBondContact N-O 2.99Å; A397-F646 VanDerWaalsContact CB-C 3.49Å; A397-I647 HydrophobicContact CB-CG1 3.7Å
398	S	95.6	Very high	88	Confident	50 Å²	50	65.8 Å²	65.8	35%	0.35	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	162	178.6	66.5	0	0	0	0	112.6	L396 N645	L396-S398 WeakPolarHBondContact CD1-O 3.27Å; S398-N645 PolarHBondContact N-O 2.98Å; S398-N645 VanDerWaalsContact N-O 3.14Å; S398-N645 PolarHBondContact O-N 3.28Å
399	I	97.1	Very high	90.2	Very high	21 Å²	21	59.3 Å²	59.3	11%	0.108	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.5	173.5	-52.9	176.2	0	0	0	106.7	L396 F575 V594 F612 L631 Y642 V644	L396-I399 HydrophobicContact CD1-CG1 4.32Å; L396-I399 HydrophobicContact CD2-CD1 4.19Å; L396-I399 HydrophobicContact CD2-CG1 4.16Å; I399-F575 HydrophobicContact CD1-CZ 4.15Å; I399-V594 HydrophobicContact CD1-CG2 3.65Å; I399-F612 HydrophobicContact CB-CD2 4.47Å; I399-F612 HydrophobicContact CD1-CD2 3.71Å; I399-F612 HydrophobicContact CD1-CE2 4.11Å; I399-F612 HydrophobicContact CG2-CD2 4.04Å; I399-F612 HydrophobicContact CG2-CE2 4.04Å; I399-L631 HydrophobicContact CD1-CD1 3.98Å; I399-L631 HydrophobicContact CG1-CD1 4.49Å; I399-L631 HydrophobicContact CG2-CD1 4.2Å; I399-Y642 HydrophobicContact CG2-CD1 3.95Å; I399-Y642 HydrophobicContact CG2-CG 4.03Å; I399-V644 HydrophobicContact CG1-CG1 4.31Å
400	E	96.9	Very high	92.1	Very high	86 Å²	86	59.4 Å²	59.4	40%	0.402	32%	0.318	S	S	.	.			trans	-81.7	178.9	179.9	-60.4	-166.1	-176	0	0	112.4	Y642 Q643 N645	E400-Y642 WeakPolarHBondContact O-CD1 3.27Å; E400-Q643 HydrophobicContact CB-CB 4.16Å; E400-Q643 HydrophobicContact CG-CB 4.11Å; E400-Q643 HydrophobicContact CG-CG 4.46Å; E400-Q643 PolarHBondContact N-O 2.97Å; E400-Q643 PolarHBondContact OE1-NE2 3.47Å; E400-Q643 VanDerWaalsContact OE1-NE2 3.09Å; E400-N645 WeakPolarHBondContact CG-ND2 3.45Å; E400-N645 PolarHBondContact OE1-ND2 3.18Å
401	Q	96.3	Very high	93	Very high	124 Å²	124	61.5 Å²	61.5	58%	0.579	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-70.4	148.3	175.9	-72.1	-67.4	-45.3	0	0	111.6	E403 T613	Q401-E403 PolarHBondContact O-N 2.99Å; Q401-T613 PolarHBondContact NE2-OG1 2.76Å
402	P	96.9	Very high	93.5	Very high	24 Å²	24	57.5 Å²	57.5	16%	0.156	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-69.4	123.2	-175.5	24.1	-31.5	0	0	0	113.3	E615 V640 Y642	P402-E615 HydrophobicContact CG-CB 3.84Å; P402-V640 HydrophobicContact CB-CB 4.05Å; P402-V640 HydrophobicContact CB-CG2 4.12Å; P402-Y642 HydrophobicContact CB-CD1 3.95Å; P402-Y642 HydrophobicContact CB-CE1 3.53Å; P402-Y642 HydrophobicContact CB-CE2 4.48Å; P402-Y642 HydrophobicContact CG-CE1 3.85Å
403	E	97.4	Very high	93.9	Very high	108 Å²	108	54.7 Å²	54.7	51%	0.505	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	120.8	165.1	-164.4	-151.4	141	0	0	109.8	Q401 Q405 K447 V640 T641	Q401-E403 PolarHBondContact O-N 2.99Å; E403-Q405 PolarHBondContact O-N 2.91Å; E403-Q405 PolarHBondContact OE1-NE2 2.97Å; E403-Q405 PolarHBondContact OE1-OE1 3.1Å; E403-Q405 PolarHBondContact OE2-NE2 3.04Å; E403-K447 IonicContact OE1-NZ 2.68Å; E403-V640 CarbonylContact O-C 3.56Å; E403-V640 VanDerWaalsContact O-CA 3.27Å; E403-V640 WeakPolarHBondContact O-CA 3.32Å; E403-T641 PolarHBondContact N-O 2.93Å; E403-T641 PolarHBondContact O-N 3.39Å; E403-T641 PolarHBondContact O-OG1 3.25Å
404	K	97.1	Very high	94.5	Very high	89 Å²	89	50.1 Å²	50.1	39%	0.387	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	111.4	172.6	-172.1	-165.8	-162.7	132.3	0	111.1	Y616 N638	K404-Y616 WeakPolarHBondContact CD-OH 3.42Å; K404-Y616 PolarHBondContact NZ-OH 3.04Å; K404-N638 VanDerWaalsContact CE-OD1 3.23Å; K404-N638 WeakPolarHBondContact CE-OD1 3.38Å; K404-N638 PolarHBondContact NZ-OD1 3.22Å
405	Q	96.6	Very high	95	Very high	18 Å²	18	49.7 Å²	49.7	8%	0.084	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-50.1	173.7	-60.3	-60.7	-20.7	0	0	111.7	E403 W415 L443 K447 Q639 T641	E403-Q405 PolarHBondContact O-N 2.91Å; E403-Q405 PolarHBondContact OE1-NE2 2.97Å; E403-Q405 PolarHBondContact OE1-OE1 3.1Å; E403-Q405 PolarHBondContact OE2-NE2 3.04Å; Q405-W415 HydrophobicContact CB-CH2 4.04Å; Q405-W415 HydrophobicContact CG-CH2 3.81Å; Q405-W415 HydrophobicContact CG-CZ2 4.34Å; Q405-L443 HydrophobicContact CB-CD1 4.42Å; Q405-K447 WeakPolarHBondContact O-CE 3.17Å; Q405-K447 WeakPolarHBondContact O-CG 3.36Å; Q405-Q639 WeakPolarHBondContact CA-O 3.5Å; Q405-Q639 WeakPolarHBondContact CB-O 3.49Å; Q405-Q639 PolarHBondContact N-O 2.97Å; Q405-T641 HydrophobicContact CG-CG2 3.91Å; Q405-T641 PolarHBondContact NE2-OG1 2.98Å
406	H	95.6	Very high	95.3	Very high	40 Å²	40	49.3 Å²	49.3	19%	0.185	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	-176.6	179.7	-162.1	35	0	0	0	112.7	F446 K447 Q639	H406-F446 HydrophobicContact CB-CD1 4.01Å; H406-F446 HydrophobicContact CB-CE1 3.44Å; H406-F446 VanDerWaalsContact CB-CE1 3.44Å; H406-F446 HydrophobicContact CB-CZ 3.73Å; H406-F446 PolarHBondContact CD2-O 3.27Å; H406-F446 PolarHBondContact NE2-O 3.12Å; H406-F446 VanDerWaalsContact NE2-O 3.17Å; H406-K447 PolarHBondContact CE1-O 3.49Å; H406-Q639 PolarHBondContact N-O 3.07Å; H406-Q639 PolarHBondContact O-N 3.05Å
407	S	94.5	Very high	95.4	Very high	65 Å²	65	50.7 Å²	50.7	46%	0.455	27%	0.265	S	S	.	.			trans	-141.2	102.5	165	179.4	0	0	0	0	108.5	G637	S407-G637 WeakPolarHBondContact CA-O 3.03Å; S407-G637 WeakPolarHBondContact CB-O 3.45Å; S407-G637 PolarHBondContact OG-O 3.22Å
408	Y	92	Very high	95.6	Very high	55 Å²	55	49.2 Å²	49.2	22%	0.216	25%	0.251	C	S	.	.			trans	-134.4	137.2	-175.3	177.4	-86.9	0	0	0	110.6	V428 F440 F446 W634 Q639	Y408-V428 HydrophobicContact CD1-CG1 3.96Å; Y408-V428 HydrophobicContact CE1-CG1 3.94Å; Y408-F440 HydrophobicContact CD1-CZ 4.44Å; Y408-F440 HydrophobicContact CD2-CZ 4.22Å; Y408-F440 HydrophobicContact CE1-CE2 4.47Å; Y408-F440 HydrophobicContact CE1-CZ 4.07Å; Y408-F440 HydrophobicContact CE2-CE1 4.44Å; Y408-F440 AromaticContact CE2-CZ 3.83Å; Y408-F440 HydrophobicContact CE2-CZ 3.83Å; Y408-F440 AromaticContact CZ-CZ 3.75Å; Y408-F446 HydrophobicContact CG-CE2 4.44Å; Y408-W634 WeakPolarHBondContact O-CH2 3.14Å; Y408-W634 VanDerWaalsContact O-CZ2 3.24Å; Y408-W634 WeakPolarHBondContact O-CZ2 3.21Å; Y408-Q639 PolarHBondContact O-NE2 3.27Å
409	G	91.1	Very high	95.5	Very high	47 Å²	47	47.2 Å²	47.2	49%	0.485	24%	0.237	S	C	.	.	S	Bend	trans	91.2	-136.4	174.9	0	0	0	0	0	113.8	N430	G409-N430 WeakPolarHBondContact CA-ND2 3.11Å
410	R	93.3	Very high	95.3	Very high	130 Å²	130	48.4 Å²	48.4	49%	0.491	24%	0.244	S	C	.	.			trans	-107.8	174	-179.9	-69	176.6	175.8	-130.1	-1.3	111.3	E412 N430 Y431 W634 G637	R410-E412 PolarHBondContact O-N 2.87Å; R410-E412 VanDerWaalsContact O-N 3.17Å; R410-N430 WeakPolarHBondContact CB-OD1 3.4Å; R410-N430 WeakPolarHBondContact CG-OD1 3.33Å; R410-N430 PolarHBondContact N-OD1 3.27Å; R410-Y431 HydrophobicContact CB-CD2 4.31Å; R410-Y431 HydrophobicContact CG-CD2 4.46Å; R410-W634 WeakPolarHBondContact O-CZ2 3.42Å; R410-W634 PolarHBondContact O-NE1 2.78Å; R410-W634 VanDerWaalsContact O-NE1 3.1Å; R410-G637 WeakPolarHBondContact O-CA 3.49Å
411	N	93.4	Very high	95.1	Very high	86 Å²	86	45.3 Å²	45.3	46%	0.46	23%	0.233	S	C	.	.	S	Bend	trans	-52.6	-34.8	174.7	-58.7	64.2	0	0	0	112.3	W634 N636 G637	N411-W634 VanDerWaalsContact O-CD1 3.24Å; N411-W634 PolarHBondContact O-NE1 3.25Å; N411-W634 VanDerWaalsContact O-NE1 3.07Å; N411-N636 PolarHBondContact ND2-OD1 2.79Å; N411-N636 CarbonylContact O-C 3.46Å; N411-G637 PolarHBondContact O-N 2.91Å
412	E	93.1	Very high	94.8	Very high	36 Å²	36	49.4 Å²	49.4	17%	0.168	25%	0.249	C	C	.	.	S	Bend	trans	-110.3	144.1	179.5	-32.8	88.1	144.1	0	0	112.1	R410 Y431 Y432 W512 F618 T620 W634	R410-E412 PolarHBondContact O-N 2.87Å; R410-E412 VanDerWaalsContact O-N 3.17Å; E412-Y431 HydrophobicContact CB-CD2 4.43Å; E412-Y431 VanDerWaalsContact O-CA 3.23Å; E412-Y431 WeakPolarHBondContact O-CA 2.99Å; E412-Y431 PolarHBondContact O-N 2.89Å; E412-Y431 WeakPolarHBondContact OE1-CE2 3.19Å; E412-Y431 VanDerWaalsContact OE2-CD2 3.27Å; E412-Y431 WeakPolarHBondContact OE2-CD2 3.34Å; E412-Y431 VanDerWaalsContact OE2-CE2 3.26Å; E412-Y431 WeakPolarHBondContact OE2-CE2 3.42Å; E412-Y432 HydrophobicContact CB-CD1 4.05Å; E412-Y432 HydrophobicContact CG-CD1 4.03Å; E412-W512 HydrophobicContact CB-CH2 4.14Å; E412-W512 HydrophobicContact CB-CZ3 4.28Å; E412-W512 HydrophobicContact CG-CH2 4.06Å; E412-W512 HydrophobicContact CG-CZ3 3.77Å; E412-F618 HydrophobicContact CG-CE1 4.24Å; E412-T620 HydrophobicContact CB-CG2 4.33Å; E412-W634 VanDerWaalsContact C-NE1 3.33Å
413	G	95	Very high	94.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.5	-167.5	176.4	0	0	0	0	0	111.6	T429 T464 T620 W634	G413-T429 CarbonylContact C-O 3.57Å; G413-T429 WeakPolarHBondContact CA-O 3.43Å; G413-T464 WeakPolarHBondContact O-CG2 3.32Å; G413-T620 PolarHBondContact O-OG1 3.12Å; G413-W634 VanDerWaalsContact C-CD2 3.48Å; G413-W634 WeakPolarHBondContact O-CB 3.48Å
414	A	96.4	Very high	94.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.4	170.1	0	0	0	0	0	111.7	M416 V428 T429 T464 Q621	A414-M416 HydrophobicContact CB-CE 3.92Å; A414-V428 WeakPolarHBondContact O-CA 3.28Å; A414-T429 PolarHBondContact N-O 3.06Å; A414-T429 PolarHBondContact O-N 3.23Å; A414-T429 PolarHBondContact O-OG1 2.92Å; A414-T464 WeakPolarHBondContact CB-O 3.45Å; A414-Q621 VanDerWaalsContact CA-OE1 3.27Å; A414-Q621 HydrophobicContact CB-CB 4.17Å; A414-Q621 VanDerWaalsContact CB-CD 3.48Å; A414-Q621 HydrophobicContact CB-CG 3.8Å
415	W	97.8	Very high	94.3	Very high	2 Å²	2	48 Å²	48	1%	0.008	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	141.6	179	77.9	-60.2	0	0	0	111.6	Q405 I426 Y427 V428 F446 Q621 Y632 A633 W634 Q639 V640 T641	Q405-W415 HydrophobicContact CB-CH2 4.04Å; Q405-W415 HydrophobicContact CG-CH2 3.81Å; Q405-W415 HydrophobicContact CG-CZ2 4.34Å; W415-I426 HydrophobicContact CE3-CG2 3.78Å; W415-I426 HydrophobicContact CZ3-CD1 4.37Å; W415-I426 HydrophobicContact CZ3-CG2 4.31Å; W415-Y427 CarbonylContact C-O 3.59Å; W415-Y427 VanDerWaalsContact CA-O 3.28Å; W415-Y427 WeakPolarHBondContact CA-O 3.32Å; W415-V428 HydrophobicContact CB-CG2 3.87Å; W415-F446 HydrophobicContact CE3-CD1 4.49Å; W415-F446 AromaticContact CE3-CE1 3.89Å; W415-F446 HydrophobicContact CE3-CE1 3.89Å; W415-F446 HydrophobicContact CE3-CZ 4.23Å; W415-F446 HydrophobicContact CZ3-CD1 4.37Å; W415-F446 AromaticContact CZ3-CE1 3.99Å; W415-F446 HydrophobicContact CZ3-CE1 3.99Å; W415-Q621 VanDerWaalsContact CD1-OE1 3.32Å; W415-Q621 PolarHBondContact O-NE2 2.93Å; W415-Y632 AromaticContact CD2-CD1 3.86Å; W415-Y632 HydrophobicContact CD2-CD1 3.86Å; W415-Y632 HydrophobicContact CD2-CE1 4.45Å; W415-Y632 AromaticContact CE2-CD1 3.62Å; W415-Y632 AromaticContact CE3-CD1 3.94Å; W415-Y632 HydrophobicContact CE3-CD1 3.94Å; W415-Y632 HydrophobicContact CE3-CE1 4.07Å; W415-Y632 AromaticContact CH2-CD1 3.51Å; W415-Y632 HydrophobicContact CH2-CD1 3.51Å; W415-Y632 AromaticContact CH2-CE1 3.39Å; W415-Y632 HydrophobicContact CH2-CE1 3.39Å; W415-Y632 AromaticContact CZ2-CD1 3.45Å; W415-Y632 HydrophobicContact CZ2-CD1 3.45Å; W415-Y632 VanDerWaalsContact CZ2-CD1 3.45Å; W415-Y632 AromaticContact CZ2-CE1 3.86Å; W415-Y632 HydrophobicContact CZ2-CE1 3.86Å; W415-Y632 HydrophobicContact CZ2-CG 4.29Å; W415-Y632 AromaticContact CZ3-CD1 3.79Å; W415-Y632 HydrophobicContact CZ3-CD1 3.79Å; W415-Y632 AromaticContact CZ3-CE1 3.54Å; W415-Y632 HydrophobicContact CZ3-CE1 3.54Å; W415-A633 PolarHBondContact NE1-O 2.77Å; W415-W634 HydrophobicContact CB-CE3 4.09Å; W415-W634 HydrophobicContact CB-CZ3 4.14Å; W415-W634 HydrophobicContact CG-CE3 4.35Å; W415-Q639 HydrophobicContact CB-CG 4.22Å; W415-Q639 HydrophobicContact CD2-CB 3.77Å; W415-Q639 HydrophobicContact CD2-CG 3.96Å; W415-Q639 HydrophobicContact CE3-CB 4.34Å; W415-Q639 HydrophobicContact CG-CB 4.01Å; W415-Q639 HydrophobicContact CG-CG 3.67Å; W415-Q639 HydrophobicContact CZ2-CB 4.15Å; W415-V640 WeakPolarHBondContact CZ2-O 3.45Å; W415-T641 HydrophobicContact CH2-CG2 3.64Å; W415-T641 HydrophobicContact CZ2-CG2 3.64Å
416	M	96.8	Very high	94.3	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.039	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	159.9	-163.8	61.8	-148.9	61.9	0	0	112.1	A414 Y427 H466 V468 F473	A414-M416 HydrophobicContact CB-CE 3.92Å; M416-Y427 PolarHBondContact N-O 2.88Å; M416-Y427 PolarHBondContact O-N 2.88Å; M416-H466 HydrophobicContact CE-CB 4.31Å; M416-H466 WeakPolarHBondContact CE-O 3.49Å; M416-V468 HydrophobicContact CG-CG2 4.11Å; M416-V468 HydrophobicContact SD-CG2 3.92Å; M416-F473 HydrophobicContact SD-CD2 4.35Å; M416-F473 HydrophobicContact SD-CE2 4.06Å
417	K	97	Very high	94.4	Very high	38 Å²	38	45.7 Å²	45.7	17%	0.165	24%	0.239	C	C	.	.			trans	-118.1	155.8	162.5	-61.2	-173.8	-174.1	153.4	0	109.5	P419 K425 I426 N625 D628 Y632	K417-P419 WeakPolarHBondContact O-CD 3.37Å; K417-K425 WeakPolarHBondContact CG-O 3.44Å; K417-I426 HydrophobicContact CG-CG1 4.08Å; K417-N625 PolarHBondContact O-ND2 2.7Å; K417-N625 VanDerWaalsContact O-ND2 3.14Å; K417-D628 WeakPolarHBondContact CD-OD2 3.26Å; K417-D628 WeakPolarHBondContact CE-OD2 3.35Å; K417-D628 IonicContact NZ-OD2 3.1Å; K417-D628 PolarHBondContact NZ-OD2 2.72Å; K417-Y632 WeakPolarHBondContact CD-OH 3.5Å; K417-Y632 WeakPolarHBondContact CE-OH 3.28Å; K417-Y632 HydrophobicContact CG-CE1 4.17Å; K417-Y632 PolarHBondContact NZ-OH 3.47Å
418	D	96.9	Very high	94.6	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.032	22%	0.217	C	C	.	.			trans	-80.2	116	167.6	-176.8	-10.3	0	0	0	109.7	L420 A421 Y427 V468 N470 G471	D418-L420 PolarHBondContact O-N 3.33Å; D418-L420 PolarHBondContact OD1-N 2.93Å; D418-A421 HydrophobicContact CB-CB 3.71Å; D418-A421 PolarHBondContact O-N 2.82Å; D418-A421 PolarHBondContact OD1-N 3.32Å; D418-Y427 HydrophobicContact CB-CE2 4.42Å; D418-V468 WeakPolarHBondContact CA-O 3.36Å; D418-V468 HydrophobicContact CB-CB 4.32Å; D418-V468 HydrophobicContact CB-CG1 3.82Å; D418-N470 PolarHBondContact OD1-N 2.82Å; D418-N470 WeakPolarHBondContact OD2-CA 3.18Å; D418-N470 PolarHBondContact OD2-N 3.12Å; D418-N470 VanDerWaalsContact OD2-N 3.09Å; D418-G471 PolarHBondContact OD2-N 3.4Å
419	P	94.9	Very high	94.8	Very high	8 Å²	8	40 Å²	40	5%	0.052	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-13.3	-179.5	28.1	-32.8	0	0	0	113.4	L390 K417 Y469 V522 P626 K627	L390-P419 HydrophobicContact CD1-CB 4.49Å; K417-P419 WeakPolarHBondContact O-CD 3.37Å; P419-Y469 HydrophobicContact CG-CD2 4.04Å; P419-Y469 HydrophobicContact CG-CE2 4.35Å; P419-V522 HydrophobicContact CG-CG1 3.7Å; P419-P626 HydrophobicContact CB-CG 3.91Å; P419-P626 HydrophobicContact CG-CG 4.15Å; P419-K627 HydrophobicContact CB-CB 3.7Å; P419-K627 WeakPolarHBondContact O-CB 3.4Å; P419-K627 WeakPolarHBondContact O-CD 3.48Å
420	L	93.4	Very high	94.9	Very high	47 Å²	47	40.4 Å²	40.4	25%	0.246	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-8.5	174.5	-62.2	179.8	0	0	0	113.1	D418 Y469 N470	D418-L420 PolarHBondContact O-N 3.33Å; D418-L420 PolarHBondContact OD1-N 2.93Å; L420-Y469 HydrophobicContact CD1-CD2 4.09Å; L420-Y469 HydrophobicContact CD1-CE1 4.25Å; L420-Y469 HydrophobicContact CD1-CE2 3.48Å; L420-Y469 VanDerWaalsContact CD1-CE2 3.48Å; L420-Y469 HydrophobicContact CG-CD2 4.32Å; L420-Y469 HydrophobicContact CG-CE2 3.85Å; L420-N470 HydrophobicContact CD1-CB 4.01Å
421	A	92.6	Very high	95	Very high	21 Å²	21	36.8 Å²	36.8	17%	0.174	19%	0.185	C	C	.	.			trans	-71.1	138.1	175.1	0	0	0	0	0	111.8	D418 K627	D418-A421 HydrophobicContact CB-CB 3.71Å; D418-A421 PolarHBondContact O-N 2.82Å; D418-A421 PolarHBondContact OD1-N 3.32Å; A421-K627 PolarHBondContact O-NZ 2.84Å
422	K	89.1	Confident	94.9	Very high	210 Å²	210	35 Å²	35	91%	0.913	17%	0.172	S	C	*	.	S	Bend	trans	-79.3	-18.3	173.5	-66	178.9	-177.7	172.6	0	113.3
423	D	90.4	Very high	94.9	Very high	64 Å²	64	37.6 Å²	37.6	34%	0.342	18%	0.181	S	C	.	.	S	Bend	trans	-89.1	176.8	173.8	62	43.3	0	0	0	111.8	K425 K627	D423-K425 WeakPolarHBondContact OD1-CB 3.44Å; D423-K425 WeakPolarHBondContact OD1-CD 3.32Å; D423-K425 VanDerWaalsContact OD1-CG 3.28Å; D423-K425 WeakPolarHBondContact OD1-CG 3.27Å; D423-K425 PolarHBondContact OD1-N 3.1Å; D423-K425 IonicContact OD1-NZ 3.64Å; D423-K425 WeakPolarHBondContact OD2-CE 3.22Å; D423-K425 IonicContact OD2-NZ 3.59Å; D423-K425 PolarHBondContact OD2-NZ 3.35Å; D423-K627 PolarHBondContact O-NZ 3.32Å
424	S	93.1	Very high	94.8	Very high	71 Å²	71	38.3 Å²	38.3	50%	0.497	19%	0.189	S	C	.	.			trans	-106.5	27.4	-177.1	-51.2	0	0	0	0	112.1	N442	S424-N442 WeakPolarHBondContact O-CA 3.21Å
425	K	96.5	Very high	94.8	Very high	55 Å²	55	40.1 Å²	40.1	24%	0.239	20%	0.198	C	C	.	.			trans	-60.3	142.5	-179.6	-77.3	173.9	-175	131.3	0	111.7	K417 D423 Y427 E439 F440	K417-K425 WeakPolarHBondContact CG-O 3.44Å; D423-K425 WeakPolarHBondContact OD1-CB 3.44Å; D423-K425 WeakPolarHBondContact OD1-CD 3.32Å; D423-K425 VanDerWaalsContact OD1-CG 3.28Å; D423-K425 WeakPolarHBondContact OD1-CG 3.27Å; D423-K425 PolarHBondContact OD1-N 3.1Å; D423-K425 IonicContact OD1-NZ 3.64Å; D423-K425 WeakPolarHBondContact OD2-CE 3.22Å; D423-K425 IonicContact OD2-NZ 3.59Å; D423-K425 PolarHBondContact OD2-NZ 3.35Å; K425-Y427 HydrophobicContact CB-CE2 3.97Å; K425-Y427 HydrophobicContact CD-CE1 4.49Å; K425-Y427 VanDerWaalsContact CD-OH 3.29Å; K425-Y427 WeakPolarHBondContact CD-OH 3.11Å; K425-E439 HydrophobicContact CD-CG 4.07Å; K425-E439 WeakPolarHBondContact CE-OE1 3.48Å; K425-E439 HydrophobicContact CG-CG 4.26Å; K425-F440 WeakPolarHBondContact CA-O 3.24Å
426	I	97.5	Very high	94.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.7	172.2	-64.5	167.3	0	0	0	107.5	W415 K417 V428 F440 L443 F446	W415-I426 HydrophobicContact CE3-CG2 3.78Å; W415-I426 HydrophobicContact CZ3-CD1 4.37Å; W415-I426 HydrophobicContact CZ3-CG2 4.31Å; K417-I426 HydrophobicContact CG-CG1 4.08Å; I426-V428 HydrophobicContact CG2-CG2 4.27Å; I426-F440 HydrophobicContact CB-CB 4.4Å; I426-F440 PolarHBondContact N-O 3.46Å; I426-F440 PolarHBondContact O-N 2.75Å; I426-L443 HydrophobicContact CD1-CB 4.12Å; I426-L443 HydrophobicContact CD1-CD1 3.73Å; I426-F446 HydrophobicContact CD1-CB 3.94Å; I426-F446 HydrophobicContact CD1-CD1 4.15Å; I426-F446 HydrophobicContact CD1-CG 4.21Å; I426-F446 HydrophobicContact CG2-CD2 4.5Å; I426-F446 HydrophobicContact CG2-CG 4.4Å
427	Y	98.1	Very high	94.8	Very high	10 Å²	10	43 Å²	43	4%	0.039	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	141.3	177.6	-56.6	-84.4	0	0	0	109.7	W415 M416 D418 K425 L437 V438 E439 Y455 V468 L488	W415-Y427 CarbonylContact C-O 3.59Å; W415-Y427 VanDerWaalsContact CA-O 3.28Å; W415-Y427 WeakPolarHBondContact CA-O 3.32Å; M416-Y427 PolarHBondContact N-O 2.88Å; M416-Y427 PolarHBondContact O-N 2.88Å; D418-Y427 HydrophobicContact CB-CE2 4.42Å; K425-Y427 HydrophobicContact CB-CE2 3.97Å; K425-Y427 HydrophobicContact CD-CE1 4.49Å; K425-Y427 VanDerWaalsContact CD-OH 3.29Å; K425-Y427 WeakPolarHBondContact CD-OH 3.11Å; Y427-L437 HydrophobicContact CD1-CD2 4.33Å; Y427-V438 CarbonylContact C-O 3.52Å; Y427-V438 WeakPolarHBondContact CA-O 3.44Å; Y427-E439 HydrophobicContact CD1-CB 4.09Å; Y427-E439 HydrophobicContact CD1-CG 4.13Å; Y427-E439 HydrophobicContact CE1-CB 4.14Å; Y427-E439 HydrophobicContact CE1-CG 3.78Å; Y427-Y455 HydrophobicContact CE1-CE2 4.26Å; Y427-V468 HydrophobicContact CD1-CG2 4.38Å; Y427-V468 HydrophobicContact CD2-CB 4Å; Y427-V468 HydrophobicContact CD2-CG1 4.14Å; Y427-V468 HydrophobicContact CD2-CG2 3.71Å; Y427-V468 HydrophobicContact CE2-CB 4.25Å; Y427-V468 HydrophobicContact CE2-CG1 3.88Å; Y427-V468 HydrophobicContact CE2-CG2 4.26Å; Y427-V468 HydrophobicContact CG-CG2 3.77Å; Y427-L488 HydrophobicContact CD1-CD1 4.38Å; Y427-L488 HydrophobicContact CE1-CD1 3.83Å
428	V	98.1	Very high	94.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	125.4	-173.9	168.5	0	0	0	0	111	Y408 A414 W415 I426 V438 F440 F446 W634	Y408-V428 HydrophobicContact CD1-CG1 3.96Å; Y408-V428 HydrophobicContact CE1-CG1 3.94Å; A414-V428 WeakPolarHBondContact O-CA 3.28Å; W415-V428 HydrophobicContact CB-CG2 3.87Å; I426-V428 HydrophobicContact CG2-CG2 4.27Å; V428-V438 HydrophobicContact CB-CB 4.33Å; V428-V438 PolarHBondContact N-O 3.36Å; V428-V438 PolarHBondContact O-N 3.45Å; V428-F440 HydrophobicContact CB-CE2 4.06Å; V428-F440 HydrophobicContact CG2-CD2 4.13Å; V428-F440 HydrophobicContact CG2-CE2 3.75Å; V428-F446 HydrophobicContact CG2-CD2 4.41Å; V428-F446 HydrophobicContact CG2-CE2 3.88Å; V428-W634 HydrophobicContact CG1-CH2 4.01Å; V428-W634 HydrophobicContact CG1-CZ3 3.88Å
429	T	96.8	Very high	94.9	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	101.1	164.8	45.8	0	0	0	0	109.6	G413 A414 L437 W461 F473	G413-T429 CarbonylContact C-O 3.57Å; G413-T429 WeakPolarHBondContact CA-O 3.43Å; A414-T429 PolarHBondContact N-O 3.06Å; A414-T429 PolarHBondContact O-N 3.23Å; A414-T429 PolarHBondContact O-OG1 2.92Å; T429-L437 HydrophobicContact CG2-CD1 3.45Å; T429-L437 VanDerWaalsContact CG2-CD1 3.45Å; T429-W461 HydrophobicContact CG2-CD2 4.46Å; T429-W461 HydrophobicContact CG2-CE3 4.31Å; T429-W461 HydrophobicContact CG2-CH2 3.42Å; T429-W461 VanDerWaalsContact CG2-CH2 3.42Å; T429-W461 HydrophobicContact CG2-CZ2 3.62Å; T429-W461 HydrophobicContact CG2-CZ3 3.81Å; T429-F473 HydrophobicContact CG2-CE2 4.09Å; T429-F473 HydrophobicContact CG2-CZ 3.66Å
430	N	93.9	Very high	95	Very high	55 Å²	55	42 Å²	42	29%	0.294	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	125.3	174	-178.9	5.3	0	0	0	109.6	G409 R410	G409-N430 WeakPolarHBondContact CA-ND2 3.11Å; R410-N430 WeakPolarHBondContact CB-OD1 3.4Å; R410-N430 WeakPolarHBondContact CG-OD1 3.33Å; R410-N430 PolarHBondContact N-OD1 3.27Å
431	Y	93.6	Very high	95.1	Very high	55 Å²	55	48.5 Å²	48.5	22%	0.216	23%	0.231	C	C	.	.	S	Bend	trans	73.9	145.5	-175.1	-147.4	-134.7	0	0	0	116.6	R410 E412 Y433 W461	R410-Y431 HydrophobicContact CB-CD2 4.31Å; R410-Y431 HydrophobicContact CG-CD2 4.46Å; E412-Y431 HydrophobicContact CB-CD2 4.43Å; E412-Y431 VanDerWaalsContact O-CA 3.23Å; E412-Y431 WeakPolarHBondContact O-CA 2.99Å; E412-Y431 PolarHBondContact O-N 2.89Å; E412-Y431 WeakPolarHBondContact OE1-CE2 3.19Å; E412-Y431 VanDerWaalsContact OE2-CD2 3.27Å; E412-Y431 WeakPolarHBondContact OE2-CD2 3.34Å; E412-Y431 VanDerWaalsContact OE2-CE2 3.26Å; E412-Y431 WeakPolarHBondContact OE2-CE2 3.42Å; Y431-Y433 PolarHBondContact O-N 3.36Å; Y431-W461 PolarHBondContact O-NE1 2.9Å
432	Y	91.4	Very high	95.2	Very high	49 Å²	49	49.5 Å²	49.5	19%	0.192	23%	0.234	C	C	.	.	S	Bend	trans	-67	-1.9	176.9	68.7	-100.6	0	0	0	114.4	E412 I462 G463 W512	E412-Y432 HydrophobicContact CB-CD1 4.05Å; E412-Y432 HydrophobicContact CG-CD1 4.03Å; Y432-I462 CarbonylContact O-C 3.55Å; Y432-I462 VanDerWaalsContact O-CA 3.3Å; Y432-I462 WeakPolarHBondContact O-CA 3.23Å; Y432-G463 CarbonylContact C-O 3.57Å; Y432-G463 VanDerWaalsContact CA-O 3.27Å; Y432-G463 WeakPolarHBondContact CA-O 3.27Å; Y432-G463 PolarHBondContact O-N 3.17Å; Y432-W512 AromaticContact CD1-CD2 3.94Å; Y432-W512 HydrophobicContact CD1-CD2 3.94Å; Y432-W512 AromaticContact CD1-CE3 3.69Å; Y432-W512 HydrophobicContact CD1-CE3 3.69Å; Y432-W512 HydrophobicContact CD1-CG 4.39Å; Y432-W512 HydrophobicContact CD1-CZ3 4.17Å; Y432-W512 HydrophobicContact CD2-CB 3.75Å; Y432-W512 HydrophobicContact CD2-CD2 4.27Å; Y432-W512 AromaticContact CD2-CG 3.87Å; Y432-W512 HydrophobicContact CD2-CG 3.87Å; Y432-W512 HydrophobicContact CE1-CE3 4.09Å; Y432-W512 HydrophobicContact CE2-CB 3.88Å; Y432-W512 HydrophobicContact CE2-CG 4.45Å; Y432-W512 HydrophobicContact CG-CB 4.19Å; Y432-W512 AromaticContact CG-CD2 3.78Å; Y432-W512 HydrophobicContact CG-CD2 3.78Å; Y432-W512 HydrophobicContact CG-CE3 4.04Å; Y432-W512 AromaticContact CG-CG 3.87Å; Y432-W512 HydrophobicContact CG-CG 3.87Å
433	Y	93.5	Very high	95.4	Very high	90 Å²	90	42.2 Å²	42.2	35%	0.353	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	112.9	177.3	178.4	-99	0	0	0	110.5	Y431 N460 W461 A478 F479	Y431-Y433 PolarHBondContact O-N 3.36Å; Y433-N460 HydrophobicContact CE2-CB 3.94Å; Y433-N460 PolarHBondContact OH-ND2 2.86Å; Y433-W461 WeakPolarHBondContact CD2-O 3.47Å; Y433-A478 HydrophobicContact CD2-CB 4.2Å; Y433-A478 HydrophobicContact CE2-CB 3.76Å; Y433-F479 HydrophobicContact CD2-CZ 4.22Å; Y433-F479 AromaticContact CE2-CE2 3.66Å; Y433-F479 HydrophobicContact CE2-CE2 3.66Å; Y433-F479 AromaticContact CE2-CZ 3.72Å; Y433-F479 HydrophobicContact CE2-CZ 3.72Å
434	G	93.7	Very high	95.7	Very high	15 Å²	15	43.6 Å²	43.6	16%	0.155	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	-173.8	-175.5	0	0	0	0	0	113.2	N460 W461	G434-N460 CarbonylContact O-C 3.52Å; G434-N460 WeakPolarHBondContact O-CA 3.47Å; G434-N460 WeakPolarHBondContact O-CB 3.5Å; G434-W461 VanDerWaalsContact C-CD2 3.49Å; G434-W461 VanDerWaalsContact O-CE3 3.27Å; G434-W461 PolarHBondContact O-N 2.91Å
435	N	95.8	Very high	95.8	Very high	37 Å²	37	42.3 Å²	42.3	20%	0.198	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	24.3	174.8	63.6	-5.4	0	0	0	112.7	K456 L457 N460 W461	N435-K456 CarbonylContact O-C 3.55Å; N435-K456 WeakPolarHBondContact O-CA 3.48Å; N435-L457 HydrophobicContact CB-CB 4.34Å; N435-L457 PolarHBondContact O-N 3.19Å; N435-N460 WeakPolarHBondContact CB-OD1 3.42Å; N435-N460 PolarHBondContact ND2-OD1 3.44Å; N435-W461 VanDerWaalsContact CA-CZ3 3.48Å
436	N	96.6	Very high	95.8	Very high	71 Å²	71	39.7 Å²	39.7	38%	0.38	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	85.7	-168.8	-73.3	-47.5	0	0	0	110.1	L454 W461	N436-L454 HydrophobicContact CB-CD1 3.79Å; N436-W461 VanDerWaalsContact N-CZ3 3.29Å
437	L	97.9	Very high	95.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.2	177.8	179	76.7	0	0	0	109.4	Y427 T429 Y455 F473 L488	Y427-L437 HydrophobicContact CD1-CD2 4.33Å; T429-L437 HydrophobicContact CG2-CD1 3.45Å; T429-L437 VanDerWaalsContact CG2-CD1 3.45Å; L437-Y455 HydrophobicContact CD2-CD2 4.18Å; L437-Y455 PolarHBondContact N-O 3.35Å; L437-Y455 PolarHBondContact O-N 2.89Å; L437-F473 HydrophobicContact CD1-CD2 4.04Å; L437-F473 HydrophobicContact CD1-CE2 3.76Å; L437-F473 HydrophobicContact CD1-CZ 4.12Å; L437-F473 HydrophobicContact CD2-CB 3.99Å; L437-F473 HydrophobicContact CD2-CD1 4.23Å; L437-F473 HydrophobicContact CD2-CD2 3.87Å; L437-F473 HydrophobicContact CD2-CE2 4.38Å; L437-F473 HydrophobicContact CD2-CG 3.77Å; L437-L488 HydrophobicContact CD2-CD2 3.67Å
438	V	97.8	Very high	95.4	Very high	14 Å²	14	48.1 Å²	48.1	9%	0.085	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.6	-178.1	-173.8	0	0	0	0	109.6	Y427 V428 F440 W451 L454	Y427-V438 CarbonylContact C-O 3.52Å; Y427-V438 WeakPolarHBondContact CA-O 3.44Å; V428-V438 HydrophobicContact CB-CB 4.33Å; V428-V438 PolarHBondContact N-O 3.36Å; V428-V438 PolarHBondContact O-N 3.45Å; V438-F440 HydrophobicContact CB-CE2 4.22Å; V438-F440 HydrophobicContact CG1-CD2 4.22Å; V438-F440 HydrophobicContact CG1-CE2 3.57Å; V438-F440 HydrophobicContact CG1-CZ 3.89Å; V438-W451 HydrophobicContact CG1-CB 3.33Å; V438-W451 HydrophobicContact CG1-CD2 4.47Å; V438-W451 HydrophobicContact CG1-CG 3.97Å; V438-L454 HydrophobicContact CG2-CD1 4.31Å
439	E	97.6	Very high	95.2	Very high	16 Å²	16	49.3 Å²	49.3	8%	0.075	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.9	174.7	-180	-170.3	123.1	0	0	110.5	K425 Y427 S452 N453 Y455	K425-E439 HydrophobicContact CD-CG 4.07Å; K425-E439 WeakPolarHBondContact CE-OE1 3.48Å; K425-E439 HydrophobicContact CG-CG 4.26Å; Y427-E439 HydrophobicContact CD1-CB 4.09Å; Y427-E439 HydrophobicContact CD1-CG 4.13Å; Y427-E439 HydrophobicContact CE1-CB 4.14Å; Y427-E439 HydrophobicContact CE1-CG 3.78Å; E439-S452 PolarHBondContact O-N 2.83Å; E439-N453 HydrophobicContact CB-CB 4.18Å; E439-N453 PolarHBondContact N-O 3.18Å; E439-N453 PolarHBondContact O-N 3.24Å; E439-Y455 HydrophobicContact CB-CE2 4.03Å; E439-Y455 WeakPolarHBondContact OE2-CE2 3.44Å; E439-Y455 PolarHBondContact OE2-OH 3.04Å
440	F	97.2	Very high	95	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.2	170.1	-60.6	-99.1	0	0	0	109.3	Y408 K425 I426 V428 V438 N442 F446 W451	Y408-F440 HydrophobicContact CD1-CZ 4.44Å; Y408-F440 HydrophobicContact CD2-CZ 4.22Å; Y408-F440 HydrophobicContact CE1-CE2 4.47Å; Y408-F440 HydrophobicContact CE1-CZ 4.07Å; Y408-F440 HydrophobicContact CE2-CE1 4.44Å; Y408-F440 AromaticContact CE2-CZ 3.83Å; Y408-F440 HydrophobicContact CE2-CZ 3.83Å; Y408-F440 AromaticContact CZ-CZ 3.75Å; K425-F440 WeakPolarHBondContact CA-O 3.24Å; I426-F440 HydrophobicContact CB-CB 4.4Å; I426-F440 PolarHBondContact N-O 3.46Å; I426-F440 PolarHBondContact O-N 2.75Å; V428-F440 HydrophobicContact CB-CE2 4.06Å; V428-F440 HydrophobicContact CG2-CD2 4.13Å; V428-F440 HydrophobicContact CG2-CE2 3.75Å; V438-F440 HydrophobicContact CB-CE2 4.22Å; V438-F440 HydrophobicContact CG1-CD2 4.22Å; V438-F440 HydrophobicContact CG1-CE2 3.57Å; V438-F440 HydrophobicContact CG1-CZ 3.89Å; F440-N442 VanDerWaalsContact C-N 3.29Å; F440-N442 PolarHBondContact O-N 3.11Å; F440-F446 HydrophobicContact CB-CB 4.06Å; F440-F446 HydrophobicContact CD1-CB 4.1Å; F440-F446 HydrophobicContact CD1-CD2 4.09Å; F440-F446 AromaticContact CD2-CD2 3.8Å; F440-F446 HydrophobicContact CD2-CD2 3.8Å; F440-F446 HydrophobicContact CE1-CD2 4.03Å; F440-F446 AromaticContact CE2-CD2 3.76Å; F440-F446 HydrophobicContact CE2-CD2 3.76Å; F440-F446 HydrophobicContact CE2-CE2 4.2Å; F440-F446 HydrophobicContact CG-CB 4.03Å; F440-F446 AromaticContact CG-CD2 3.97Å; F440-F446 HydrophobicContact CG-CD2 3.97Å; F440-F446 HydrophobicContact CG-CG 4.48Å; F440-F446 AromaticContact CZ-CD2 3.87Å; F440-F446 HydrophobicContact CZ-CD2 3.87Å; F440-F446 HydrophobicContact CZ-CE2 4.35Å; F440-W451 HydrophobicContact CD1-CB 4.12Å; F440-W451 HydrophobicContact CE1-CB 3.79Å; F440-W451 HydrophobicContact CE2-CB 4.49Å; F440-W451 HydrophobicContact CZ-CB 4Å
441	R	95.3	Very high	95	Very high	184 Å²	184	60.8 Å²	60.8	69%	0.694	28%	0.278	S	S	*	.	S	Bend	trans	-60.1	-33.4	-176.4	-178.2	173.9	-179.6	168.2	0.1	114.5	S452	R441-S452 WeakPolarHBondContact CB-OG 3.11Å; R441-S452 PolarHBondContact N-OG 3.08Å; R441-S452 VanDerWaalsContact N-OG 3.09Å
442	N	94.9	Very high	95	Very high	43 Å²	43	61 Å²	61	23%	0.23	29%	0.288	C	S	.	.	S	Bend	trans	-162.2	177.8	178	72.2	-11.5	0	0	0	111.4	S424 F440 D444 N445 F446	S424-N442 WeakPolarHBondContact O-CA 3.21Å; F440-N442 VanDerWaalsContact C-N 3.29Å; F440-N442 PolarHBondContact O-N 3.11Å; N442-D444 VanDerWaalsContact C-N 3.34Å; N442-D444 PolarHBondContact ND2-OD2 3.3Å; N442-D444 PolarHBondContact O-N 2.88Å; N442-D444 PolarHBondContact OD1-N 3.36Å; N442-N445 PolarHBondContact O-N 2.84Å; N442-N445 WeakPolarHBondContact OD1-CB 3.29Å; N442-N445 PolarHBondContact OD1-N 3.06Å; N442-N445 PolarHBondContact OD1-ND2 3.08Å; N442-F446 PolarHBondContact O-N 3.27Å
443	L	94.4	Very high	95.2	Very high	57 Å²	57	60.3 Å²	60.3	30%	0.298	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-37.8	179.3	-170.6	64.4	0	0	0	113.2	Q405 I426 F446 K447	Q405-L443 HydrophobicContact CB-CD1 4.42Å; I426-L443 HydrophobicContact CD1-CB 4.12Å; I426-L443 HydrophobicContact CD1-CD1 3.73Å; L443-F446 HydrophobicContact CD1-CD1 4.19Å; L443-F446 WeakPolarHBondContact O-CB 3.18Å; L443-F446 PolarHBondContact O-N 2.99Å; L443-K447 HydrophobicContact CG-CD 4.41Å; L443-K447 HydrophobicContact CG-CG 4.47Å; L443-K447 WeakPolarHBondContact O-CG 3.44Å; L443-K447 PolarHBondContact O-N 3.11Å
444	D	95.3	Very high	95.4	Very high	93 Å²	93	59.1 Å²	59.1	50%	0.497	29%	0.287	S	S	.	.	H	α-helix	trans	-67.2	-41.5	-179.5	-42.7	-62.4	0	0	0	112.2	N442 F446 K447 Q448	N442-D444 VanDerWaalsContact C-N 3.34Å; N442-D444 PolarHBondContact ND2-OD2 3.3Å; N442-D444 PolarHBondContact O-N 2.88Å; N442-D444 PolarHBondContact OD1-N 3.36Å; D444-F446 VanDerWaalsContact C-N 3.31Å; D444-K447 PolarHBondContact O-N 2.91Å; D444-Q448 WeakPolarHBondContact O-CB 3.33Å; D444-Q448 VanDerWaalsContact O-CG 3.22Å; D444-Q448 WeakPolarHBondContact O-CG 3.4Å; D444-Q448 PolarHBondContact O-N 2.89Å; D444-Q448 PolarHBondContact O-NE2 3.18Å
445	N	95.3	Very high	95.5	Very high	44 Å²	44	59.2 Å²	59.2	24%	0.235	28%	0.282	C	S	.	.	H	α-helix	trans	-67.7	-34.8	174.5	-79.5	-77.8	0	0	0	111.2	N442 Q448 G449 R450	N442-N445 PolarHBondContact O-N 2.84Å; N442-N445 WeakPolarHBondContact OD1-CB 3.29Å; N442-N445 PolarHBondContact OD1-N 3.06Å; N442-N445 PolarHBondContact OD1-ND2 3.08Å; N445-Q448 CarbonylContact O-C 3.59Å; N445-Q448 PolarHBondContact O-N 3.22Å; N445-G449 PolarHBondContact O-N 3.39Å; N445-R450 HydrophobicContact CB-CB 4.32Å; N445-R450 PolarHBondContact O-N 3.03Å
446	F	96.3	Very high	95.5	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-51.1	171.3	178.3	-119	0	0	0	111.8	H406 Y408 W415 I426 V428 F440 N442 L443 D444 Q448 G449 Q639	H406-F446 HydrophobicContact CB-CD1 4.01Å; H406-F446 HydrophobicContact CB-CE1 3.44Å; H406-F446 VanDerWaalsContact CB-CE1 3.44Å; H406-F446 HydrophobicContact CB-CZ 3.73Å; H406-F446 PolarHBondContact CD2-O 3.27Å; H406-F446 PolarHBondContact NE2-O 3.12Å; H406-F446 VanDerWaalsContact NE2-O 3.17Å; Y408-F446 HydrophobicContact CG-CE2 4.44Å; W415-F446 HydrophobicContact CE3-CD1 4.49Å; W415-F446 AromaticContact CE3-CE1 3.89Å; W415-F446 HydrophobicContact CE3-CE1 3.89Å; W415-F446 HydrophobicContact CE3-CZ 4.23Å; W415-F446 HydrophobicContact CZ3-CD1 4.37Å; W415-F446 AromaticContact CZ3-CE1 3.99Å; W415-F446 HydrophobicContact CZ3-CE1 3.99Å; I426-F446 HydrophobicContact CD1-CB 3.94Å; I426-F446 HydrophobicContact CD1-CD1 4.15Å; I426-F446 HydrophobicContact CD1-CG 4.21Å; I426-F446 HydrophobicContact CG2-CD2 4.5Å; I426-F446 HydrophobicContact CG2-CG 4.4Å; V428-F446 HydrophobicContact CG2-CD2 4.41Å; V428-F446 HydrophobicContact CG2-CE2 3.88Å; F440-F446 HydrophobicContact CB-CB 4.06Å; F440-F446 HydrophobicContact CD1-CB 4.1Å; F440-F446 HydrophobicContact CD1-CD2 4.09Å; F440-F446 AromaticContact CD2-CD2 3.8Å; F440-F446 HydrophobicContact CD2-CD2 3.8Å; F440-F446 HydrophobicContact CE1-CD2 4.03Å; F440-F446 AromaticContact CE2-CD2 3.76Å; F440-F446 HydrophobicContact CE2-CD2 3.76Å; F440-F446 HydrophobicContact CE2-CE2 4.2Å; F440-F446 HydrophobicContact CG-CB 4.03Å; F440-F446 AromaticContact CG-CD2 3.97Å; F440-F446 HydrophobicContact CG-CD2 3.97Å; F440-F446 HydrophobicContact CG-CG 4.48Å; F440-F446 AromaticContact CZ-CD2 3.87Å; F440-F446 HydrophobicContact CZ-CD2 3.87Å; F440-F446 HydrophobicContact CZ-CE2 4.35Å; N442-F446 PolarHBondContact O-N 3.27Å; L443-F446 HydrophobicContact CD1-CD1 4.19Å; L443-F446 WeakPolarHBondContact O-CB 3.18Å; L443-F446 PolarHBondContact O-N 2.99Å; D444-F446 VanDerWaalsContact C-N 3.31Å; F446-Q448 PolarHBondContact O-N 2.87Å; F446-Q448 VanDerWaalsContact O-N 3.12Å; F446-G449 PolarHBondContact O-N 2.96Å; F446-Q639 HydrophobicContact CE1-CB 4.01Å; F446-Q639 HydrophobicContact CE1-CG 4.4Å; F446-Q639 HydrophobicContact CZ-CB 3.85Å; F446-Q639 HydrophobicContact CZ-CG 3.74Å
447	K	94.5	Very high	95.4	Very high	84 Å²	84	61.4 Å²	61.4	37%	0.365	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-21.1	175.8	-67.6	-169.3	-179.9	-169.5	0	113.5	E403 Q405 H406 L443 D444	E403-K447 IonicContact OE1-NZ 2.68Å; Q405-K447 WeakPolarHBondContact O-CE 3.17Å; Q405-K447 WeakPolarHBondContact O-CG 3.36Å; H406-K447 PolarHBondContact CE1-O 3.49Å; L443-K447 HydrophobicContact CG-CD 4.41Å; L443-K447 HydrophobicContact CG-CG 4.47Å; L443-K447 WeakPolarHBondContact O-CG 3.44Å; L443-K447 PolarHBondContact O-N 3.11Å; D444-K447 PolarHBondContact O-N 2.91Å
448	Q	94.1	Very high	95.1	Very high	102 Å²	102	64.8 Å²	64.8	48%	0.477	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-1.3	173	-70.4	169	53.4	0	0	114.5	D444 N445 F446 R450	D444-Q448 WeakPolarHBondContact O-CB 3.33Å; D444-Q448 VanDerWaalsContact O-CG 3.22Å; D444-Q448 WeakPolarHBondContact O-CG 3.4Å; D444-Q448 PolarHBondContact O-N 2.89Å; D444-Q448 PolarHBondContact O-NE2 3.18Å; N445-Q448 CarbonylContact O-C 3.59Å; N445-Q448 PolarHBondContact O-N 3.22Å; F446-Q448 PolarHBondContact O-N 2.87Å; F446-Q448 VanDerWaalsContact O-N 3.12Å; Q448-R450 HydrophobicContact CB-CB 4.38Å; Q448-R450 HydrophobicContact CB-CG 4.01Å; Q448-R450 PolarHBondContact O-N 3.29Å
449	G	92.4	Very high	95	Very high	26 Å²	26	68.6 Å²	68.6	27%	0.268	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	12.7	-173.6	0	0	0	0	0	115	N445 F446 W451	N445-G449 PolarHBondContact O-N 3.39Å; F446-G449 PolarHBondContact O-N 2.96Å; G449-W451 PolarHBondContact O-N 2.76Å
450	R	93.7	Very high	94.8	Very high	155 Å²	155	70.3 Å²	70.3	59%	0.585	33%	0.332	S	S	*	.			trans	-89.8	79.2	-173.8	-71.9	178.3	175.1	176	-9	111.7	N445 Q448	N445-R450 HydrophobicContact CB-CB 4.32Å; N445-R450 PolarHBondContact O-N 3.03Å; Q448-R450 HydrophobicContact CB-CB 4.38Å; Q448-R450 HydrophobicContact CB-CG 4.01Å; Q448-R450 PolarHBondContact O-N 3.29Å
451	W	93.7	Very high	94.7	Very high	141 Å²	141	70.4 Å²	70.4	53%	0.534	33%	0.333	S	S	.	.			trans	-62.2	146.9	173.1	64	-79.1	0	0	0	111.8	V438 F440 G449 L454	V438-W451 HydrophobicContact CG1-CB 3.33Å; V438-W451 HydrophobicContact CG1-CD2 4.47Å; V438-W451 HydrophobicContact CG1-CG 3.97Å; F440-W451 HydrophobicContact CD1-CB 4.12Å; F440-W451 HydrophobicContact CE1-CB 3.79Å; F440-W451 HydrophobicContact CE2-CB 4.49Å; F440-W451 HydrophobicContact CZ-CB 4Å; G449-W451 PolarHBondContact O-N 2.76Å; W451-L454 HydrophobicContact CE3-CB 4.02Å; W451-L454 HydrophobicContact CH2-CB 4.14Å; W451-L454 HydrophobicContact CH2-CD2 4.44Å; W451-L454 HydrophobicContact CZ3-CB 3.44Å; W451-L454 VanDerWaalsContact CZ3-CB 3.44Å
452	S	94.6	Very high	94.5	Very high	61 Å²	61	62.9 Å²	62.9	43%	0.427	31%	0.306	S	S	.	.			trans	-108.7	-28.7	-171.6	-53.1	0	0	0	0	112.7	E439 R441	E439-S452 PolarHBondContact O-N 2.83Å; R441-S452 WeakPolarHBondContact CB-OG 3.11Å; R441-S452 PolarHBondContact N-OG 3.08Å; R441-S452 VanDerWaalsContact N-OG 3.09Å
453	N	95.6	Very high	94.4	Very high	34 Å²	34	61 Å²	61	18%	0.182	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	159.2	177.6	178.1	37.3	0	0	0	110.5	E439 Y455 R491	E439-N453 HydrophobicContact CB-CB 4.18Å; E439-N453 PolarHBondContact N-O 3.18Å; E439-N453 PolarHBondContact O-N 3.24Å; N453-Y455 VanDerWaalsContact ND2-CE1 3.28Å; N453-Y455 WeakPolarHBondContact ND2-CE1 3.28Å; N453-Y455 WeakPolarHBondContact ND2-CE2 3.46Å; N453-Y455 PolarHBondContact ND2-OH 3.12Å; N453-R491 PolarHBondContact ND2-NH2 3.4Å; N453-R491 PolarHBondContact OD1-NH2 3.41Å
454	L	96.2	Very high	94.4	Very high	64 Å²	64	58.3 Å²	58.3	34%	0.335	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	119.8	179.4	168.2	61.8	0	0	0	109.4	N436 V438 W451	N436-L454 HydrophobicContact CB-CD1 3.79Å; V438-L454 HydrophobicContact CG2-CD1 4.31Å; W451-L454 HydrophobicContact CE3-CB 4.02Å; W451-L454 HydrophobicContact CH2-CB 4.14Å; W451-L454 HydrophobicContact CH2-CD2 4.44Å; W451-L454 HydrophobicContact CZ3-CB 3.44Å; W451-L454 VanDerWaalsContact CZ3-CB 3.44Å
455	Y	96.4	Very high	94.4	Very high	17 Å²	17	53.9 Å²	53.9	7%	0.067	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	114	174.1	-57.6	-81.6	0	0	0	109.8	Y427 L437 E439 N453 Y486 L488 R491	Y427-Y455 HydrophobicContact CE1-CE2 4.26Å; L437-Y455 HydrophobicContact CD2-CD2 4.18Å; L437-Y455 PolarHBondContact N-O 3.35Å; L437-Y455 PolarHBondContact O-N 2.89Å; E439-Y455 HydrophobicContact CB-CE2 4.03Å; E439-Y455 WeakPolarHBondContact OE2-CE2 3.44Å; E439-Y455 PolarHBondContact OE2-OH 3.04Å; N453-Y455 VanDerWaalsContact ND2-CE1 3.28Å; N453-Y455 WeakPolarHBondContact ND2-CE1 3.28Å; N453-Y455 WeakPolarHBondContact ND2-CE2 3.46Å; N453-Y455 PolarHBondContact ND2-OH 3.12Å; Y455-Y486 HydrophobicContact CD1-CE1 4.41Å; Y455-L488 HydrophobicContact CD1-CD2 4.09Å; Y455-L488 HydrophobicContact CD2-CD2 3.83Å; Y455-L488 HydrophobicContact CE1-CB 4.09Å; Y455-L488 HydrophobicContact CE1-CD2 4.25Å; Y455-L488 WeakPolarHBondContact CE1-O 3.44Å; Y455-L488 HydrophobicContact CE2-CB 4.49Å; Y455-L488 HydrophobicContact CE2-CD2 3.97Å; Y455-L488 HydrophobicContact CG-CD2 3.87Å; Y455-R491 HydrophobicContact CD1-CG 4.31Å; Y455-R491 HydrophobicContact CE1-CG 4.33Å
456	K	95.1	Very high	94.4	Very high	149 Å²	149	51.8 Å²	51.8	65%	0.648	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90	111.9	171.8	-174	174.9	-179.9	178.1	0	109.6	N435	N435-K456 CarbonylContact O-C 3.55Å; N435-K456 WeakPolarHBondContact O-CA 3.48Å
457	L	95.7	Very high	94.5	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	151.7	-174.9	-53.3	-174.8	0	0	0	111.7	N435 Y459 W461 F473 Y475 Y486	N435-L457 HydrophobicContact CB-CB 4.34Å; N435-L457 PolarHBondContact O-N 3.19Å; L457-Y459 VanDerWaalsContact C-N 3.3Å; L457-Y459 PolarHBondContact O-N 3.02Å; L457-W461 HydrophobicContact CD1-CE3 3.74Å; L457-W461 HydrophobicContact CD1-CZ3 3.67Å; L457-W461 HydrophobicContact CG-CZ3 4.46Å; L457-F473 HydrophobicContact CD1-CD1 3.71Å; L457-F473 HydrophobicContact CD1-CE1 3.47Å; L457-F473 VanDerWaalsContact CD1-CE1 3.47Å; L457-F473 HydrophobicContact CD2-CD1 4.5Å; L457-Y475 HydrophobicContact CD1-CD1 4.24Å; L457-Y475 HydrophobicContact CD1-CE1 3.81Å; L457-Y475 HydrophobicContact CD1-CE2 4.4Å; L457-Y486 HydrophobicContact CD2-CD1 3.48Å; L457-Y486 VanDerWaalsContact CD2-CD1 3.48Å; L457-Y486 HydrophobicContact CD2-CD2 4.12Å; L457-Y486 HydrophobicContact CD2-CE1 3.53Å; L457-Y486 HydrophobicContact CD2-CE2 4.18Å; L457-Y486 HydrophobicContact CD2-CG 3.78Å
458	P	91.9	Very high	94.7	Very high	71 Å²	71	48.3 Å²	48.3	46%	0.461	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-23.6	-177.7	28.3	-35.4	0	0	0	113.6	Y486	P458-Y486 HydrophobicContact CG-CD2 4.45Å
459	Y	94.3	Very high	94.8	Very high	94 Å²	94	44 Å²	44	37%	0.369	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	148.6	178.3	-55.1	-70.7	0	0	0	110.4	L457 Y475 R477 I484 M493	L457-Y459 VanDerWaalsContact C-N 3.3Å; L457-Y459 PolarHBondContact O-N 3.02Å; Y459-Y475 WeakPolarHBondContact O-CE2 3.3Å; Y459-Y475 PolarHBondContact O-OH 2.85Å; Y459-R477 HydrophobicContact CG-CG 4.49Å; Y459-I484 HydrophobicContact CD2-CD1 3.6Å; Y459-I484 HydrophobicContact CE2-CD1 4.34Å; Y459-I484 HydrophobicContact CG-CD1 4.33Å; Y459-M493 HydrophobicContact CD2-SD 4.47Å; Y459-M493 HydrophobicContact CE2-CE 4.32Å; Y459-M493 HydrophobicContact CE2-SD 3.96Å
460	N	94.9	Very high	94.9	Very high	52 Å²	52	47.7 Å²	47.7	28%	0.278	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	148.8	175.8	-53.9	-14.9	0	0	0	111.2	Y433 G434 N435 A478	Y433-N460 HydrophobicContact CE2-CB 3.94Å; Y433-N460 PolarHBondContact OH-ND2 2.86Å; G434-N460 CarbonylContact O-C 3.52Å; G434-N460 WeakPolarHBondContact O-CA 3.47Å; G434-N460 WeakPolarHBondContact O-CB 3.5Å; N435-N460 WeakPolarHBondContact CB-OD1 3.42Å; N435-N460 PolarHBondContact ND2-OD1 3.44Å; N460-A478 HydrophobicContact CB-CB 4.18Å; N460-A478 WeakPolarHBondContact O-CB 3.22Å; N460-A478 PolarHBondContact O-N 3.33Å
461	W	94.9	Very high	95	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	163.8	168.9	62	79.6	0	0	0	112.3	T429 Y431 Y433 G434 N435 N436 L457 H466 F473 Y475 N476	T429-W461 HydrophobicContact CG2-CD2 4.46Å; T429-W461 HydrophobicContact CG2-CE3 4.31Å; T429-W461 HydrophobicContact CG2-CH2 3.42Å; T429-W461 VanDerWaalsContact CG2-CH2 3.42Å; T429-W461 HydrophobicContact CG2-CZ2 3.62Å; T429-W461 HydrophobicContact CG2-CZ3 3.81Å; Y431-W461 PolarHBondContact O-NE1 2.9Å; Y433-W461 WeakPolarHBondContact CD2-O 3.47Å; G434-W461 VanDerWaalsContact C-CD2 3.49Å; G434-W461 VanDerWaalsContact O-CE3 3.27Å; G434-W461 PolarHBondContact O-N 2.91Å; N435-W461 VanDerWaalsContact CA-CZ3 3.48Å; N436-W461 VanDerWaalsContact N-CZ3 3.29Å; L457-W461 HydrophobicContact CD1-CE3 3.74Å; L457-W461 HydrophobicContact CD1-CZ3 3.67Å; L457-W461 HydrophobicContact CG-CZ3 4.46Å; W461-H466 AromaticContact CD1-NE2 3.21Å; W461-H466 AromaticContact CD2-NE2 3.98Å; W461-H466 AromaticContact CG-NE2 3.34Å; W461-H466 VanDerWaalsContact CG-NE2 3.34Å; W461-H466 AromaticContact NE1-NE2 3.82Å; W461-F473 HydrophobicContact CE3-CE1 4.43Å; W461-Y475 HydrophobicContact CB-CD2 3.65Å; W461-Y475 HydrophobicContact CB-CE2 4.28Å; W461-Y475 HydrophobicContact CB-CG 4.45Å; W461-N476 VanDerWaalsContact CA-O 3.25Å; W461-N476 WeakPolarHBondContact CA-O 3.16Å
462	I	91.3	Very high	95.2	Very high	26 Å²	26	35.1 Å²	35.1	13%	0.133	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	147.2	159.1	-165.8	168.8	0	0	0	109	Y432 N476 A478 F479	Y432-I462 CarbonylContact O-C 3.55Å; Y432-I462 VanDerWaalsContact O-CA 3.3Å; Y432-I462 WeakPolarHBondContact O-CA 3.23Å; I462-N476 VanDerWaalsContact CG2-OD1 3.27Å; I462-N476 WeakPolarHBondContact CG2-OD1 3.02Å; I462-N476 PolarHBondContact N-O 3Å; I462-A478 HydrophobicContact CB-CB 4.16Å; I462-F479 HydrophobicContact CD1-CD1 4.15Å; I462-F479 HydrophobicContact CD1-CE1 3.79Å
463	G	92.3	Very high	95.4	Very high	3 Å²	3	32.2 Å²	32.2	3%	0.031	17%	0.169	C	C	.	.	S	Bend	trans	91.8	-167.1	-176.1	0	0	0	0	0	112.7	Y432 H466 S516	Y432-G463 CarbonylContact C-O 3.57Å; Y432-G463 VanDerWaalsContact CA-O 3.27Å; Y432-G463 WeakPolarHBondContact CA-O 3.27Å; Y432-G463 PolarHBondContact O-N 3.17Å; G463-H466 PolarHBondContact O-NE2 2.73Å; G463-S516 VanDerWaalsContact CA-OG 3.32Å; G463-S516 WeakPolarHBondContact CA-OG 3.48Å
464	T	95	Very high	95.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	16%	0.161	C	C	.	.	S	Bend	trans	-137.1	-29.9	-171	35.8	0	0	0	0	113.9	G413 A414 H466 W512 S516 T620	G413-T464 WeakPolarHBondContact O-CG2 3.32Å; A414-T464 WeakPolarHBondContact CB-O 3.45Å; T464-H466 VanDerWaalsContact C-N 3.3Å; T464-H466 PolarHBondContact O-N 2.94Å; T464-W512 HydrophobicContact CG2-CZ2 4.08Å; T464-S516 PolarHBondContact N-OG 3.28Å; T464-T620 VanDerWaalsContact CB-O 3.22Å; T464-T620 WeakPolarHBondContact CB-O 3.49Å; T464-T620 PolarHBondContact OG1-O 3.41Å
465	G	94.1	Very high	95.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.01	15%	0.145	C	C	.	.			trans	-69.9	85.5	172.6	0	0	0	0	0	111.3	S516 D519 F520	G465-S516 PolarHBondContact N-OG 3.05Å; G465-D519 WeakPolarHBondContact CA-OD1 3.35Å; G465-D519 PolarHBondContact N-OD1 2.83Å; G465-F520 WeakPolarHBondContact O-CD2 3.5Å; G465-F520 PolarHBondContact O-N 3.47Å
466	H	95.9	Very high	95.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.			trans	-121.9	145.6	175.4	-52.4	-22.5	0	0	0	107.7	M416 W461 G463 T464 F473	M416-H466 HydrophobicContact CE-CB 4.31Å; M416-H466 WeakPolarHBondContact CE-O 3.49Å; W461-H466 AromaticContact CD1-NE2 3.21Å; W461-H466 AromaticContact CD2-NE2 3.98Å; W461-H466 AromaticContact CG-NE2 3.34Å; W461-H466 VanDerWaalsContact CG-NE2 3.34Å; W461-H466 AromaticContact NE1-NE2 3.82Å; G463-H466 PolarHBondContact O-NE2 2.73Å; T464-H466 VanDerWaalsContact C-N 3.3Å; T464-H466 PolarHBondContact O-N 2.94Å; H466-F473 HydrophobicContact CB-CE2 3.54Å; H466-F473 HydrophobicContact CB-CZ 3.63Å; H466-F473 AromaticContact CD2-CZ 3.85Å; H466-F473 AromaticContact CG-CZ 3.94Å
467	V	97.8	Very high	95.5	Very high	8 Å²	8	24 Å²	24	5%	0.048	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.2	-177.9	-60.7	0	0	0	0	111.9	F473 Y474 F520 V522 L527	V467-F473 WeakPolarHBondContact O-CA 3.37Å; V467-F473 WeakPolarHBondContact O-CD2 3.45Å; V467-Y474 HydrophobicContact CG2-CD2 4.16Å; V467-Y474 HydrophobicContact CG2-CG 4.34Å; V467-Y474 PolarHBondContact N-O 2.73Å; V467-Y474 PolarHBondContact O-N 3.42Å; V467-F520 HydrophobicContact CB-CB 4.39Å; V467-F520 HydrophobicContact CG1-CB 3.97Å; V467-F520 WeakPolarHBondContact CG1-O 3.42Å; V467-F520 HydrophobicContact CG2-CB 3.62Å; V467-F520 HydrophobicContact CG2-CG 4.33Å; V467-V522 HydrophobicContact CB-CG2 4.01Å; V467-V522 HydrophobicContact CG1-CG2 4.18Å; V467-V522 HydrophobicContact CG2-CG2 3.91Å; V467-L527 HydrophobicContact CG2-CD1 3.74Å
468	V	98.1	Very high	95.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128	161.8	-176.9	0	0	0	0	108.3	M416 D418 Y427 A472 F473 L488	M416-V468 HydrophobicContact CG-CG2 4.11Å; M416-V468 HydrophobicContact SD-CG2 3.92Å; D418-V468 WeakPolarHBondContact CA-O 3.36Å; D418-V468 HydrophobicContact CB-CB 4.32Å; D418-V468 HydrophobicContact CB-CG1 3.82Å; Y427-V468 HydrophobicContact CD1-CG2 4.38Å; Y427-V468 HydrophobicContact CD2-CB 4Å; Y427-V468 HydrophobicContact CD2-CG1 4.14Å; Y427-V468 HydrophobicContact CD2-CG2 3.71Å; Y427-V468 HydrophobicContact CE2-CB 4.25Å; Y427-V468 HydrophobicContact CE2-CG1 3.88Å; Y427-V468 HydrophobicContact CE2-CG2 4.26Å; Y427-V468 HydrophobicContact CG-CG2 3.77Å; V468-A472 CarbonylContact C-O 3.53Å; V468-A472 VanDerWaalsContact CA-O 3.31Å; V468-A472 WeakPolarHBondContact CA-O 3.17Å; V468-A472 WeakPolarHBondContact CG1-O 3.34Å; V468-F473 HydrophobicContact CG2-CB 4.28Å; V468-F473 HydrophobicContact CG2-CD2 3.78Å; V468-L488 HydrophobicContact CG1-CD1 3.68Å; V468-L488 HydrophobicContact CG2-CD1 4.23Å
469	Y	97.3	Very high	94.9	Very high	11 Å²	11	24.2 Å²	24.2	4%	0.043	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	123	-179.3	-175.3	-114.6	0	0	0	110.7	P419 L420 G471 A472 Y474 V522 L527 P551	P419-Y469 HydrophobicContact CG-CD2 4.04Å; P419-Y469 HydrophobicContact CG-CE2 4.35Å; L420-Y469 HydrophobicContact CD1-CD2 4.09Å; L420-Y469 HydrophobicContact CD1-CE1 4.25Å; L420-Y469 HydrophobicContact CD1-CE2 3.48Å; L420-Y469 VanDerWaalsContact CD1-CE2 3.48Å; L420-Y469 HydrophobicContact CG-CD2 4.32Å; L420-Y469 HydrophobicContact CG-CE2 3.85Å; Y469-G471 PolarHBondContact O-N 2.81Å; Y469-A472 PolarHBondContact N-O 2.91Å; Y469-A472 PolarHBondContact O-N 2.99Å; Y469-Y474 WeakPolarHBondContact O-CE2 3.47Å; Y469-V522 HydrophobicContact CD2-CG1 3.51Å; Y469-V522 HydrophobicContact CD2-CG2 4.11Å; Y469-V522 HydrophobicContact CE2-CG1 3.56Å; Y469-V522 HydrophobicContact CG-CG1 4.42Å; Y469-V522 HydrophobicContact CG-CG2 4.3Å; Y469-L527 HydrophobicContact CD1-CB 4.2Å; Y469-L527 HydrophobicContact CE1-CB 4.22Å; Y469-P551 HydrophobicContact CD1-CB 4.1Å; Y469-P551 HydrophobicContact CE1-CB 4.03Å; Y469-P551 HydrophobicContact CE1-CG 4.21Å
470	N	95.3	Very high	94.6	Very high	105 Å²	105	21.4 Å²	21.4	56%	0.561	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	49.2	-180	-158.8	-4.6	0	0	0	113.5	D418 L420 A472	D418-N470 PolarHBondContact OD1-N 2.82Å; D418-N470 WeakPolarHBondContact OD2-CA 3.18Å; D418-N470 PolarHBondContact OD2-N 3.12Å; D418-N470 VanDerWaalsContact OD2-N 3.09Å; L420-N470 HydrophobicContact CD1-CB 4.01Å; N470-A472 PolarHBondContact O-N 2.75Å
471	G	95.8	Very high	94.3	Very high	29 Å²	29	22.2 Å²	22.2	30%	0.299	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	9.1	177.8	0	0	0	0	0	115.8	D418 Y469 L488	D418-G471 PolarHBondContact OD2-N 3.4Å; Y469-G471 PolarHBondContact O-N 2.81Å; G471-L488 WeakPolarHBondContact O-CB 3.23Å; G471-L488 PolarHBondContact O-N 3.24Å
472	A	97.9	Very high	94.2	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.025	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.2	175.3	0	0	0	0	0	111.7	V468 Y469 N470 Y474 K485 Y486	V468-A472 CarbonylContact C-O 3.53Å; V468-A472 VanDerWaalsContact CA-O 3.31Å; V468-A472 WeakPolarHBondContact CA-O 3.17Å; V468-A472 WeakPolarHBondContact CG1-O 3.34Å; Y469-A472 PolarHBondContact N-O 2.91Å; Y469-A472 PolarHBondContact O-N 2.99Å; N470-A472 PolarHBondContact O-N 2.75Å; A472-Y474 HydrophobicContact CB-CE2 3.8Å; A472-Y474 WeakPolarHBondContact O-CD2 3.41Å; A472-Y474 WeakPolarHBondContact O-CE2 3.41Å; A472-K485 HydrophobicContact CB-CG 3.86Å; A472-Y486 CarbonylContact C-O 3.6Å; A472-Y486 VanDerWaalsContact CA-O 3.25Å; A472-Y486 WeakPolarHBondContact CA-O 3.43Å
473	F	98.4	Very high	94.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.3	175.1	176.2	-112.3	0	0	0	110.3	M416 T429 L437 L457 W461 H466 V467 V468 Y475 Y486 L488	M416-F473 HydrophobicContact SD-CD2 4.35Å; M416-F473 HydrophobicContact SD-CE2 4.06Å; T429-F473 HydrophobicContact CG2-CE2 4.09Å; T429-F473 HydrophobicContact CG2-CZ 3.66Å; L437-F473 HydrophobicContact CD1-CD2 4.04Å; L437-F473 HydrophobicContact CD1-CE2 3.76Å; L437-F473 HydrophobicContact CD1-CZ 4.12Å; L437-F473 HydrophobicContact CD2-CB 3.99Å; L437-F473 HydrophobicContact CD2-CD1 4.23Å; L437-F473 HydrophobicContact CD2-CD2 3.87Å; L437-F473 HydrophobicContact CD2-CE2 4.38Å; L437-F473 HydrophobicContact CD2-CG 3.77Å; L457-F473 HydrophobicContact CD1-CD1 3.71Å; L457-F473 HydrophobicContact CD1-CE1 3.47Å; L457-F473 VanDerWaalsContact CD1-CE1 3.47Å; L457-F473 HydrophobicContact CD2-CD1 4.5Å; W461-F473 HydrophobicContact CE3-CE1 4.43Å; H466-F473 HydrophobicContact CB-CE2 3.54Å; H466-F473 HydrophobicContact CB-CZ 3.63Å; H466-F473 AromaticContact CD2-CZ 3.85Å; H466-F473 AromaticContact CG-CZ 3.94Å; V467-F473 WeakPolarHBondContact O-CA 3.37Å; V467-F473 WeakPolarHBondContact O-CD2 3.45Å; V468-F473 HydrophobicContact CG2-CB 4.28Å; V468-F473 HydrophobicContact CG2-CD2 3.78Å; F473-Y475 AromaticContact CD1-CD1 3.53Å; F473-Y475 HydrophobicContact CD1-CD1 3.53Å; F473-Y475 HydrophobicContact CD1-CE1 4.13Å; F473-Y475 HydrophobicContact CD1-CG 4.21Å; F473-Y475 AromaticContact CE1-CD1 3.49Å; F473-Y475 HydrophobicContact CE1-CD1 3.49Å; F473-Y475 VanDerWaalsContact CE1-CD1 3.49Å; F473-Y475 HydrophobicContact CE1-CE1 4.24Å; F473-Y475 AromaticContact CE1-CG 3.7Å; F473-Y475 HydrophobicContact CE1-CG 3.7Å; F473-Y475 HydrophobicContact CZ-CG 4.49Å; F473-Y486 PolarHBondContact N-O 3.25Å; F473-Y486 PolarHBondContact O-N 3.2Å; F473-L488 HydrophobicContact CB-CD1 4.44Å; F473-L488 HydrophobicContact CB-CD2 3.99Å; F473-L488 HydrophobicContact CB-CG 4.32Å
474	Y	98.4	Very high	94.7	Very high	3 Å²	3	22 Å²	22	1%	0.012	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.2	-175.2	-59.2	-102	0	0	0	109.7	V467 Y469 A472 I484 K485 L527 L554	V467-Y474 HydrophobicContact CG2-CD2 4.16Å; V467-Y474 HydrophobicContact CG2-CG 4.34Å; V467-Y474 PolarHBondContact N-O 2.73Å; V467-Y474 PolarHBondContact O-N 3.42Å; Y469-Y474 WeakPolarHBondContact O-CE2 3.47Å; A472-Y474 HydrophobicContact CB-CE2 3.8Å; A472-Y474 WeakPolarHBondContact O-CD2 3.41Å; A472-Y474 WeakPolarHBondContact O-CE2 3.41Å; Y474-I484 WeakPolarHBondContact CA-O 3.25Å; Y474-K485 HydrophobicContact CD1-CB 4.03Å; Y474-K485 HydrophobicContact CD1-CG 4.25Å; Y474-K485 HydrophobicContact CE1-CB 3.83Å; Y474-K485 HydrophobicContact CE1-CD 3.86Å; Y474-K485 HydrophobicContact CE1-CG 3.64Å; Y474-L527 HydrophobicContact CD1-CD2 3.71Å; Y474-L527 HydrophobicContact CE1-CD2 3.51Å; Y474-L527 HydrophobicContact CE2-CD2 4.5Å; Y474-L527 HydrophobicContact CG-CD2 4.29Å; Y474-L554 HydrophobicContact CD1-CD2 3.76Å; Y474-L554 HydrophobicContact CE1-CD2 3.72Å
475	Y	97.3	Very high	94.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	155.4	-174.6	71.2	-80.9	0	0	0	113.2	L457 Y459 W461 F473 I484 F520	L457-Y475 HydrophobicContact CD1-CD1 4.24Å; L457-Y475 HydrophobicContact CD1-CE1 3.81Å; L457-Y475 HydrophobicContact CD1-CE2 4.4Å; Y459-Y475 WeakPolarHBondContact O-CE2 3.3Å; Y459-Y475 PolarHBondContact O-OH 2.85Å; W461-Y475 HydrophobicContact CB-CD2 3.65Å; W461-Y475 HydrophobicContact CB-CE2 4.28Å; W461-Y475 HydrophobicContact CB-CG 4.45Å; F473-Y475 AromaticContact CD1-CD1 3.53Å; F473-Y475 HydrophobicContact CD1-CD1 3.53Å; F473-Y475 HydrophobicContact CD1-CE1 4.13Å; F473-Y475 HydrophobicContact CD1-CG 4.21Å; F473-Y475 AromaticContact CE1-CD1 3.49Å; F473-Y475 HydrophobicContact CE1-CD1 3.49Å; F473-Y475 VanDerWaalsContact CE1-CD1 3.49Å; F473-Y475 HydrophobicContact CE1-CE1 4.24Å; F473-Y475 AromaticContact CE1-CG 3.7Å; F473-Y475 HydrophobicContact CE1-CG 3.7Å; F473-Y475 HydrophobicContact CZ-CG 4.49Å; Y475-I484 HydrophobicContact CD1-CB 4.12Å; Y475-I484 HydrophobicContact CD1-CG2 4.15Å; Y475-I484 HydrophobicContact CE1-CB 3.82Å; Y475-I484 HydrophobicContact CE1-CG2 3.47Å; Y475-I484 VanDerWaalsContact CE1-CG2 3.47Å; Y475-I484 HydrophobicContact CE2-CD1 4.38Å; Y475-I484 PolarHBondContact N-O 3.24Å; Y475-I484 VanDerWaalsContact N-O 3.1Å; Y475-I484 PolarHBondContact O-N 2.92Å; Y475-F520 VanDerWaalsContact C-CE2 3.46Å
476	N	95.6	Very high	95	Very high	3 Å²	3	24 Å²	24	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	128.4	170.8	174.1	-125.1	0	0	0	110.3	W461 I462 A478 T480 N482 Y504 I518	W461-N476 VanDerWaalsContact CA-O 3.25Å; W461-N476 WeakPolarHBondContact CA-O 3.16Å; I462-N476 VanDerWaalsContact CG2-OD1 3.27Å; I462-N476 WeakPolarHBondContact CG2-OD1 3.02Å; I462-N476 PolarHBondContact N-O 3Å; N476-A478 PolarHBondContact O-N 2.03Å; N476-T480 PolarHBondContact ND2-O 3.17Å; N476-N482 PolarHBondContact ND2-O 2.97Å; N476-Y504 PolarHBondContact OD1-OH 3Å; N476-I518 HydrophobicContact CB-CB 4.1Å; N476-I518 HydrophobicContact CB-CD1 4.42Å; N476-I518 HydrophobicContact CB-CG2 4.23Å; N476-I518 WeakPolarHBondContact ND2-CD1 3.27Å
477	R	93.9	Very high	95.1	Very high	84 Å²	84	25.3 Å²	25.3	32%	0.317	13%	0.13	S	C	.	.	B	Isolated β-bridge	trans	-73.1	124.8	175.7	176.2	-174.4	178	-146.3	-1.5	110.3	Y459 F479 T480 N482 I484	Y459-R477 HydrophobicContact CG-CG 4.49Å; R477-F479 PolarHBondContact O-N 3.22Å; R477-T480 WeakPolarHBondContact CB-OG1 3.39Å; R477-T480 WeakPolarHBondContact CG-OG1 3.4Å; R477-T480 PolarHBondContact O-N 2.91Å; R477-T480 VanDerWaalsContact O-N 3.12Å; R477-T480 PolarHBondContact O-OG1 3.12Å; R477-N482 HydrophobicContact CB-CB 4.22Å; R477-N482 PolarHBondContact N-O 3.23Å; R477-I484 HydrophobicContact CB-CD1 3.82Å; R477-I484 HydrophobicContact CB-CG1 4.29Å; R477-I484 HydrophobicContact CG-CD1 4.26Å
478	A	90	Very high	95	Very high	12 Å²	12	25.1 Å²	25.1	10%	0.099	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.1	131.4	-175.9	0	0	0	0	0	113.9	Y433 N460 I462 N476 T480	Y433-A478 HydrophobicContact CD2-CB 4.2Å; Y433-A478 HydrophobicContact CE2-CB 3.76Å; N460-A478 HydrophobicContact CB-CB 4.18Å; N460-A478 WeakPolarHBondContact O-CB 3.22Å; N460-A478 PolarHBondContact O-N 3.33Å; I462-A478 HydrophobicContact CB-CB 4.16Å; N476-A478 PolarHBondContact O-N 2.03Å; A478-T480 PolarHBondContact O-N 3.48Å
479	F	83.9	Confident	94.8	Very high	69 Å²	69	34.9 Å²	34.9	30%	0.303	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	18.1	177.2	-38.3	-65.1	0	0	0	115.4	Y433 I462 R477 R509 W510	Y433-F479 HydrophobicContact CD2-CZ 4.22Å; Y433-F479 AromaticContact CE2-CE2 3.66Å; Y433-F479 HydrophobicContact CE2-CE2 3.66Å; Y433-F479 AromaticContact CE2-CZ 3.72Å; Y433-F479 HydrophobicContact CE2-CZ 3.72Å; I462-F479 HydrophobicContact CD1-CD1 4.15Å; I462-F479 HydrophobicContact CD1-CE1 3.79Å; R477-F479 PolarHBondContact O-N 3.22Å; F479-R509 WeakPolarHBondContact CD1-O 3.4Å; F479-W510 HydrophobicContact CD1-CE3 4.33Å; F479-W510 HydrophobicContact CD1-CZ3 4.32Å; F479-W510 HydrophobicContact CD2-CZ3 4.44Å; F479-W510 HydrophobicContact CE1-CD2 4.21Å; F479-W510 AromaticContact CE1-CE3 3.49Å; F479-W510 HydrophobicContact CE1-CE3 3.49Å; F479-W510 VanDerWaalsContact CE1-CE3 3.49Å; F479-W510 HydrophobicContact CE1-CH2 4.44Å; F479-W510 AromaticContact CE1-CZ3 3.64Å; F479-W510 HydrophobicContact CE1-CZ3 3.64Å; F479-W510 HydrophobicContact CE2-CE3 4.44Å; F479-W510 HydrophobicContact CE2-CH2 4.36Å; F479-W510 AromaticContact CE2-CZ3 3.77Å; F479-W510 HydrophobicContact CE2-CZ3 3.77Å; F479-W510 AromaticContact CZ-CE3 3.57Å; F479-W510 HydrophobicContact CZ-CE3 3.57Å; F479-W510 HydrophobicContact CZ-CH2 4.26Å; F479-W510 AromaticContact CZ-CZ3 3.33Å; F479-W510 HydrophobicContact CZ-CZ3 3.33Å
480	T	87.6	Confident	94.7	Very high	36 Å²	36	40.2 Å²	40.2	22%	0.221	19%	0.192	C	C	.	.	S	Bend	trans	-138.7	146	178.6	64.5	0	0	0	0	111.2	N476 R477 A478 N482 Y504	N476-T480 PolarHBondContact ND2-O 3.17Å; R477-T480 WeakPolarHBondContact CB-OG1 3.39Å; R477-T480 WeakPolarHBondContact CG-OG1 3.4Å; R477-T480 PolarHBondContact O-N 2.91Å; R477-T480 VanDerWaalsContact O-N 3.12Å; R477-T480 PolarHBondContact O-OG1 3.12Å; A478-T480 PolarHBondContact O-N 3.48Å; T480-N482 PolarHBondContact O-N 3.07Å; T480-Y504 PolarHBondContact O-OH 2.93Å
481	K	90.5	Very high	94.7	Very high	69 Å²	69	41.4 Å²	41.4	30%	0.3	19%	0.188	S	C	.	.	S	Bend	trans	-70.7	21.1	173.2	-45.5	176.3	-175.7	-164.2	0	112.9	L498 L499 H500 V502 Y504	K481-L498 HydrophobicContact CB-CD1 3.82Å; K481-L499 VanDerWaalsContact CB-O 3.25Å; K481-L499 WeakPolarHBondContact CB-O 3.42Å; K481-L499 WeakPolarHBondContact CD-O 3.33Å; K481-L499 PolarHBondContact O-N 2.94Å; K481-H500 PolarHBondContact NZ-O 2.93Å; K481-V502 HydrophobicContact CB-CB 4.33Å; K481-V502 HydrophobicContact CB-CG1 4.39Å; K481-V502 HydrophobicContact CD-CB 3.98Å; K481-V502 HydrophobicContact CD-CG1 4.28Å; K481-V502 WeakPolarHBondContact CE-O 3.39Å; K481-V502 HydrophobicContact CG-CB 4.16Å; K481-V502 HydrophobicContact CG-CG1 4.02Å; K481-V502 PolarHBondContact NZ-O 2.97Å; K481-Y504 HydrophobicContact CB-CE2 4.28Å; K481-Y504 HydrophobicContact CG-CD2 4Å; K481-Y504 HydrophobicContact CG-CE2 3.57Å
482	N	92.6	Very high	94.5	Very high	22 Å²	22	45.8 Å²	45.8	12%	0.118	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130	-175.9	-66.5	37.4	0	0	0	110.1	N476 R477 T480 W496 T497 L498	N476-N482 PolarHBondContact ND2-O 2.97Å; R477-N482 HydrophobicContact CB-CB 4.22Å; R477-N482 PolarHBondContact N-O 3.23Å; T480-N482 PolarHBondContact O-N 3.07Å; N482-W496 VanDerWaalsContact ND2-CE3 3.33Å; N482-W496 WeakPolarHBondContact ND2-CZ3 3.4Å; N482-T497 VanDerWaalsContact CA-O 3.23Å; N482-T497 WeakPolarHBondContact CA-O 3.39Å; N482-L498 WeakPolarHBondContact OD1-CD1 3.24Å
483	I	96.5	Very high	94.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	144.8	166.4	56.8	169.3	0	0	0	110	W496 T497 L499 I518 F520 L549 L554	I483-W496 WeakPolarHBondContact O-CA 3.44Å; I483-W496 WeakPolarHBondContact O-CB 3.3Å; I483-T497 HydrophobicContact CD1-CG2 3.64Å; I483-T497 HydrophobicContact CG1-CG2 3.45Å; I483-T497 VanDerWaalsContact CG1-CG2 3.45Å; I483-T497 PolarHBondContact N-O 2.82Å; I483-T497 PolarHBondContact O-N 3.36Å; I483-T497 VanDerWaalsContact O-N 3.09Å; I483-L499 HydrophobicContact CD1-CD2 3.63Å; I483-L499 HydrophobicContact CG1-CD2 3.69Å; I483-L499 HydrophobicContact CG2-CD1 4.02Å; I483-L499 HydrophobicContact CG2-CD2 4.1Å; I483-I518 HydrophobicContact CG2-CG2 4.07Å; I483-F520 HydrophobicContact CB-CE1 4.13Å; I483-F520 HydrophobicContact CB-CZ 3.64Å; I483-F520 HydrophobicContact CD1-CE1 4.39Å; I483-F520 HydrophobicContact CG2-CE1 4.07Å; I483-F520 HydrophobicContact CG2-CE2 4.17Å; I483-F520 HydrophobicContact CG2-CZ 3.44Å; I483-F520 VanDerWaalsContact CG2-CZ 3.44Å; I483-L549 HydrophobicContact CD1-CD1 3.88Å; I483-L549 HydrophobicContact CD1-CD2 3.63Å; I483-L549 HydrophobicContact CD1-CG 4.44Å; I483-L554 HydrophobicContact CD1-CB 4.07Å; I483-L554 HydrophobicContact CD1-CD1 4.27Å; I483-L554 HydrophobicContact CD1-CD2 4.44Å; I483-L554 HydrophobicContact CG1-CD1 4.13Å
484	I	97.4	Very high	94.2	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.7	-175.7	-66	-172.3	0	0	0	109.9	Y459 Y474 Y475 R477 M493 W496	Y459-I484 HydrophobicContact CD2-CD1 3.6Å; Y459-I484 HydrophobicContact CE2-CD1 4.34Å; Y459-I484 HydrophobicContact CG-CD1 4.33Å; Y474-I484 WeakPolarHBondContact CA-O 3.25Å; Y475-I484 HydrophobicContact CD1-CB 4.12Å; Y475-I484 HydrophobicContact CD1-CG2 4.15Å; Y475-I484 HydrophobicContact CE1-CB 3.82Å; Y475-I484 HydrophobicContact CE1-CG2 3.47Å; Y475-I484 VanDerWaalsContact CE1-CG2 3.47Å; Y475-I484 HydrophobicContact CE2-CD1 4.38Å; Y475-I484 PolarHBondContact N-O 3.24Å; Y475-I484 VanDerWaalsContact N-O 3.1Å; Y475-I484 PolarHBondContact O-N 2.92Å; R477-I484 HydrophobicContact CB-CD1 3.82Å; R477-I484 HydrophobicContact CB-CG1 4.29Å; R477-I484 HydrophobicContact CG-CD1 4.26Å; I484-M493 HydrophobicContact CD1-SD 4.16Å; I484-M493 HydrophobicContact CG1-SD 4.43Å; I484-M493 HydrophobicContact CG2-CG 3.98Å; I484-M493 HydrophobicContact CG2-SD 4.17Å; I484-W496 HydrophobicContact CG1-CB 4.1Å
485	K	97.9	Very high	94	Very high	35 Å²	35	50.7 Å²	50.7	15%	0.152	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.8	166.4	174.3	-174.4	169.6	-175.5	0	109.1	A472 Y474 M493 A494 A495 P551 G552 L554	A472-K485 HydrophobicContact CB-CG 3.86Å; Y474-K485 HydrophobicContact CD1-CB 4.03Å; Y474-K485 HydrophobicContact CD1-CG 4.25Å; Y474-K485 HydrophobicContact CE1-CB 3.83Å; Y474-K485 HydrophobicContact CE1-CD 3.86Å; Y474-K485 HydrophobicContact CE1-CG 3.64Å; K485-M493 CarbonylContact O-C 3.57Å; K485-A494 HydrophobicContact CD-CB 4.3Å; K485-A494 HydrophobicContact CG-CB 4.3Å; K485-A494 PolarHBondContact O-N 2.86Å; K485-A495 HydrophobicContact CB-CB 4.2Å; K485-A495 HydrophobicContact CD-CB 4.3Å; K485-A495 PolarHBondContact N-O 2.9Å; K485-A495 PolarHBondContact O-N 3.4Å; K485-P551 WeakPolarHBondContact CD-O 3.47Å; K485-P551 WeakPolarHBondContact CE-O 3.23Å; K485-P551 PolarHBondContact NZ-O 3.49Å; K485-G552 PolarHBondContact NZ-O 3.19Å; K485-L554 HydrophobicContact CB-CD1 3.94Å; K485-L554 HydrophobicContact CB-CD2 4.22Å; K485-L554 HydrophobicContact CB-CG 4.26Å
486	Y	97.8	Very high	94	Very high	11 Å²	11	57.5 Å²	57.5	4%	0.043	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.3	178.2	-179.3	-94.1	0	0	0	110.3	Y455 L457 P458 A472 F473 L488 R491 Y492	Y455-Y486 HydrophobicContact CD1-CE1 4.41Å; L457-Y486 HydrophobicContact CD2-CD1 3.48Å; L457-Y486 VanDerWaalsContact CD2-CD1 3.48Å; L457-Y486 HydrophobicContact CD2-CD2 4.12Å; L457-Y486 HydrophobicContact CD2-CE1 3.53Å; L457-Y486 HydrophobicContact CD2-CE2 4.18Å; L457-Y486 HydrophobicContact CD2-CG 3.78Å; P458-Y486 HydrophobicContact CG-CD2 4.45Å; A472-Y486 CarbonylContact C-O 3.6Å; A472-Y486 VanDerWaalsContact CA-O 3.25Å; A472-Y486 WeakPolarHBondContact CA-O 3.43Å; F473-Y486 PolarHBondContact N-O 3.25Å; F473-Y486 PolarHBondContact O-N 3.2Å; Y486-L488 HydrophobicContact CD1-CD2 3.92Å; Y486-L488 HydrophobicContact CE1-CD2 4.13Å; Y486-L488 PolarHBondContact O-N 3.13Å; Y486-R491 WeakPolarHBondContact CE2-O 3.42Å; Y486-R491 VanDerWaalsContact CZ-C 3.44Å; Y486-R491 VanDerWaalsContact OH-C 3.26Å; Y486-R491 VanDerWaalsContact OH-CA 3.3Å; Y486-R491 WeakPolarHBondContact OH-CA 3.28Å; Y486-R491 WeakPolarHBondContact OH-CB 3.35Å; Y486-R491 PolarHBondContact OH-O 3.1Å; Y486-Y492 WeakPolarHBondContact CA-O 3.22Å; Y486-Y492 VanDerWaalsContact CD2-C 3.5Å; Y486-Y492 WeakPolarHBondContact CD2-O 3.44Å
487	D	96.9	Very high	93.9	Very high	26 Å²	26	59.3 Å²	59.3	14%	0.139	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	118.1	178	-178.6	-42.7	0	0	0	109.2	R489 M490 R491 Y492 A494	D487-R489 WeakPolarHBondContact OD1-CA 3.5Å; D487-R489 WeakPolarHBondContact OD1-CB 3.49Å; D487-R489 PolarHBondContact OD1-N 3.42Å; D487-M490 HydrophobicContact CB-CB 4.24Å; D487-M490 WeakPolarHBondContact OD1-CB 3.41Å; D487-M490 PolarHBondContact OD1-N 3.44Å; D487-R491 WeakPolarHBondContact O-CA 3.43Å; D487-R491 PolarHBondContact O-N 3.18Å; D487-Y492 HydrophobicContact CB-CD1 4.19Å; D487-Y492 HydrophobicContact CB-CE1 3.95Å; D487-Y492 PolarHBondContact N-O 3.22Å; D487-Y492 PolarHBondContact O-N 3.42Å; D487-A494 HydrophobicContact CB-CB 4.28Å
488	L	96.4	Very high	93.9	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-29.8	-175.5	-62.9	171	0	0	0	112.4	Y427 L437 Y455 V468 G471 F473 Y486 R491	Y427-L488 HydrophobicContact CD1-CD1 4.38Å; Y427-L488 HydrophobicContact CE1-CD1 3.83Å; L437-L488 HydrophobicContact CD2-CD2 3.67Å; Y455-L488 HydrophobicContact CD1-CD2 4.09Å; Y455-L488 HydrophobicContact CD2-CD2 3.83Å; Y455-L488 HydrophobicContact CE1-CB 4.09Å; Y455-L488 HydrophobicContact CE1-CD2 4.25Å; Y455-L488 WeakPolarHBondContact CE1-O 3.44Å; Y455-L488 HydrophobicContact CE2-CB 4.49Å; Y455-L488 HydrophobicContact CE2-CD2 3.97Å; Y455-L488 HydrophobicContact CG-CD2 3.87Å; V468-L488 HydrophobicContact CG1-CD1 3.68Å; V468-L488 HydrophobicContact CG2-CD1 4.23Å; G471-L488 WeakPolarHBondContact O-CB 3.23Å; G471-L488 PolarHBondContact O-N 3.24Å; F473-L488 HydrophobicContact CB-CD1 4.44Å; F473-L488 HydrophobicContact CB-CD2 3.99Å; F473-L488 HydrophobicContact CB-CG 4.32Å; Y486-L488 HydrophobicContact CD1-CD2 3.92Å; Y486-L488 HydrophobicContact CE1-CD2 4.13Å; Y486-L488 PolarHBondContact O-N 3.13Å; L488-R491 WeakPolarHBondContact O-CG 3.3Å
489	R	94.3	Very high	94	Very high	208 Å²	208	57.9 Å²	57.9	79%	0.785	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-46.5	179.1	174.2	-179.4	59.1	-176.4	-6.2	111.1	D487	D487-R489 WeakPolarHBondContact OD1-CA 3.5Å; D487-R489 WeakPolarHBondContact OD1-CB 3.49Å; D487-R489 PolarHBondContact OD1-N 3.42Å
490	M	94	Very high	94.1	Very high	122 Å²	122	60.8 Å²	60.8	60%	0.601	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-11.8	-176.4	-59.4	-65.2	-68.5	0	0	113	D487 Y492	D487-M490 HydrophobicContact CB-CB 4.24Å; D487-M490 WeakPolarHBondContact OD1-CB 3.41Å; D487-M490 PolarHBondContact OD1-N 3.44Å; M490-Y492 HydrophobicContact CB-CD1 3.43Å; M490-Y492 VanDerWaalsContact CB-CD1 3.43Å; M490-Y492 HydrophobicContact CB-CE1 3.46Å; M490-Y492 VanDerWaalsContact CB-CE1 3.46Å; M490-Y492 HydrophobicContact CG-CE1 4.13Å; M490-Y492 PolarHBondContact O-N 2.8Å
491	R	95.1	Very high	94.1	Very high	130 Å²	130	63.9 Å²	63.9	49%	0.491	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	35.3	173.6	-58.7	-175.4	177.7	-141.4	-4.8	115.3	N453 Y455 Y486 D487 L488	N453-R491 PolarHBondContact ND2-NH2 3.4Å; N453-R491 PolarHBondContact OD1-NH2 3.41Å; Y455-R491 HydrophobicContact CD1-CG 4.31Å; Y455-R491 HydrophobicContact CE1-CG 4.33Å; Y486-R491 WeakPolarHBondContact CE2-O 3.42Å; Y486-R491 VanDerWaalsContact CZ-C 3.44Å; Y486-R491 VanDerWaalsContact OH-C 3.26Å; Y486-R491 VanDerWaalsContact OH-CA 3.3Å; Y486-R491 WeakPolarHBondContact OH-CA 3.28Å; Y486-R491 WeakPolarHBondContact OH-CB 3.35Å; Y486-R491 PolarHBondContact OH-O 3.1Å; D487-R491 WeakPolarHBondContact O-CA 3.43Å; D487-R491 PolarHBondContact O-N 3.18Å; L488-R491 WeakPolarHBondContact O-CG 3.3Å
492	Y	92.4	Very high	94	Very high	121 Å²	121	60.7 Å²	60.7	48%	0.475	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	161	178.9	80.9	-69.5	0	0	0	112.8	Y486 D487 M490 A494	Y486-Y492 WeakPolarHBondContact CA-O 3.22Å; Y486-Y492 VanDerWaalsContact CD2-C 3.5Å; Y486-Y492 WeakPolarHBondContact CD2-O 3.44Å; D487-Y492 HydrophobicContact CB-CD1 4.19Å; D487-Y492 HydrophobicContact CB-CE1 3.95Å; D487-Y492 PolarHBondContact N-O 3.22Å; D487-Y492 PolarHBondContact O-N 3.42Å; M490-Y492 HydrophobicContact CB-CD1 3.43Å; M490-Y492 VanDerWaalsContact CB-CD1 3.43Å; M490-Y492 HydrophobicContact CB-CE1 3.46Å; M490-Y492 VanDerWaalsContact CB-CE1 3.46Å; M490-Y492 HydrophobicContact CG-CE1 4.13Å; M490-Y492 PolarHBondContact O-N 2.8Å; Y492-A494 HydrophobicContact CE2-CB 4.17Å; Y492-A494 PolarHBondContact O-N 2.84Å
493	M	95.2	Very high	93.6	Very high	58 Å²	58	60.7 Å²	60.7	29%	0.286	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	106.9	170.3	176.4	173.9	73.8	0	0	109.3	Y459 I484 K485 W496	Y459-M493 HydrophobicContact CD2-SD 4.47Å; Y459-M493 HydrophobicContact CE2-CE 4.32Å; Y459-M493 HydrophobicContact CE2-SD 3.96Å; I484-M493 HydrophobicContact CD1-SD 4.16Å; I484-M493 HydrophobicContact CG1-SD 4.43Å; I484-M493 HydrophobicContact CG2-CG 3.98Å; I484-M493 HydrophobicContact CG2-SD 4.17Å; K485-M493 CarbonylContact O-C 3.57Å; M493-W496 HydrophobicContact CE-CG 4.36Å; M493-W496 HydrophobicContact SD-CB 4Å; M493-W496 HydrophobicContact SD-CG 4.14Å
494	A	94.6	Very high	92.5	Very high	37 Å²	37	62.8 Å²	62.8	31%	0.306	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-36	-176.9	0	0	0	0	0	112.6	K485 D487 Y492	K485-A494 HydrophobicContact CD-CB 4.3Å; K485-A494 HydrophobicContact CG-CB 4.3Å; K485-A494 PolarHBondContact O-N 2.86Å; D487-A494 HydrophobicContact CB-CB 4.28Å; Y492-A494 HydrophobicContact CE2-CB 4.17Å; Y492-A494 PolarHBondContact O-N 2.84Å
495	A	95.1	Very high	91	Very high	15 Å²	15	64.9 Å²	64.9	12%	0.124	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	158	174.1	0	0	0	0	0	110.9	K485 L554	K485-A495 HydrophobicContact CB-CB 4.2Å; K485-A495 HydrophobicContact CD-CB 4.3Å; K485-A495 PolarHBondContact N-O 2.9Å; K485-A495 PolarHBondContact O-N 3.4Å; A495-L554 HydrophobicContact CB-CD1 4.08Å; A495-L554 HydrophobicContact CB-CG 4.11Å
496	W	95.4	Very high	88.9	Confident	143 Å²	143	69.9 Å²	69.9	54%	0.542	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	150.4	166.3	68.8	-83.7	0	0	0	108.9	N482 I483 I484 M493	N482-W496 VanDerWaalsContact ND2-CE3 3.33Å; N482-W496 WeakPolarHBondContact ND2-CZ3 3.4Å; I483-W496 WeakPolarHBondContact O-CA 3.44Å; I483-W496 WeakPolarHBondContact O-CB 3.3Å; I484-W496 HydrophobicContact CG1-CB 4.1Å; M493-W496 HydrophobicContact CE-CG 4.36Å; M493-W496 HydrophobicContact SD-CB 4Å; M493-W496 HydrophobicContact SD-CG 4.14Å
497	T	95.1	Very high	86.8	Confident	41 Å²	41	73.9 Å²	73.9	25%	0.252	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	169	170.8	-167.3	0	0	0	0	111.1	N482 I483 L499 L554	N482-T497 VanDerWaalsContact CA-O 3.23Å; N482-T497 WeakPolarHBondContact CA-O 3.39Å; I483-T497 HydrophobicContact CD1-CG2 3.64Å; I483-T497 HydrophobicContact CG1-CG2 3.45Å; I483-T497 VanDerWaalsContact CG1-CG2 3.45Å; I483-T497 PolarHBondContact N-O 2.82Å; I483-T497 PolarHBondContact O-N 3.36Å; I483-T497 VanDerWaalsContact O-N 3.09Å; T497-L499 HydrophobicContact CG2-CD2 4.2Å; T497-L554 HydrophobicContact CG2-CB 3.81Å; T497-L554 WeakPolarHBondContact CG2-O 3.43Å
498	L	93	Very high	84.6	Confident	63 Å²	63	77.1 Å²	77.1	33%	0.33	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.7	176	176.5	66.3	0	0	0	109.4	K481 N482 H500	K481-L498 HydrophobicContact CB-CD1 3.82Å; N482-L498 WeakPolarHBondContact OD1-CD1 3.24Å; L498-H500 PolarHBondContact O-CE1 2.77Å; L498-H500 PolarHBondContact O-N 2.91Å; L498-H500 PolarHBondContact O-ND1 3.47Å
499	L	91.5	Very high	82.5	Confident	2 Å²	2	84.1 Å²	84.1	1%	0.01	40%	0.395	C	S	.	.			trans	-77.1	106.7	166.2	-87	166.1	0	0	0	107.4	K481 I483 T497 V502 I518 V529 Y531 L556	K481-L499 VanDerWaalsContact CB-O 3.25Å; K481-L499 WeakPolarHBondContact CB-O 3.42Å; K481-L499 WeakPolarHBondContact CD-O 3.33Å; K481-L499 PolarHBondContact O-N 2.94Å; I483-L499 HydrophobicContact CD1-CD2 3.63Å; I483-L499 HydrophobicContact CG1-CD2 3.69Å; I483-L499 HydrophobicContact CG2-CD1 4.02Å; I483-L499 HydrophobicContact CG2-CD2 4.1Å; T497-L499 HydrophobicContact CG2-CD2 4.2Å; L499-V502 HydrophobicContact CB-CB 4.23Å; L499-V502 HydrophobicContact CB-CG2 3.5Å; L499-V502 VanDerWaalsContact CB-CG2 3.5Å; L499-V502 HydrophobicContact CD1-CG2 3.76Å; L499-V502 HydrophobicContact CG-CG2 4.12Å; L499-I518 HydrophobicContact CD1-CD1 4.19Å; L499-I518 HydrophobicContact CD1-CG1 4.48Å; L499-I518 HydrophobicContact CD1-CG2 4.29Å; L499-V529 HydrophobicContact CD1-CG2 4.1Å; L499-Y531 HydrophobicContact CD1-CD1 4.02Å; L499-Y531 HydrophobicContact CD1-CE1 4.31Å; L499-Y531 HydrophobicContact CD1-CG 4.39Å; L499-L556 HydrophobicContact CD2-CD1 3.97Å; L499-L556 HydrophobicContact CG-CD1 4.27Å
500	H	87.1	Confident	80.5	Confident	130 Å²	130	82.1 Å²	82.1	60%	0.602	39%	0.387	S	S	*	.	S	Bend	trans	-71.7	-44.3	-173.3	-68.9	67.5	0	0	0	111	K481 L498 V502	K481-H500 PolarHBondContact NZ-O 2.93Å; L498-H500 PolarHBondContact O-CE1 2.77Å; L498-H500 PolarHBondContact O-N 2.91Å; L498-H500 PolarHBondContact O-ND1 3.47Å; H500-V502 VanDerWaalsContact C-N 3.35Å; H500-V502 PolarHBondContact O-N 3.05Å
501	D	86.6	Confident	78.7	Confident	101 Å²	101	82.4 Å²	82.4	54%	0.54	39%	0.385	S	S	.	.	S	Bend	trans	-81.3	-7	-169.7	-51.9	-23.5	0	0	0	114.7	S533	D501-S533 WeakPolarHBondContact O-CA 3.12Å; D501-S533 PolarHBondContact O-OG 3.14Å
502	V	88.3	Confident	77.3	Confident	2 Å²	2	78 Å²	78	1%	0.012	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-61.9	140	179.7	160.1	0	0	0	0	111.7	K481 L499 H500 Y504 I518 Y531 P532	K481-V502 HydrophobicContact CB-CB 4.33Å; K481-V502 HydrophobicContact CB-CG1 4.39Å; K481-V502 HydrophobicContact CD-CB 3.98Å; K481-V502 HydrophobicContact CD-CG1 4.28Å; K481-V502 WeakPolarHBondContact CE-O 3.39Å; K481-V502 HydrophobicContact CG-CB 4.16Å; K481-V502 HydrophobicContact CG-CG1 4.02Å; K481-V502 PolarHBondContact NZ-O 2.97Å; L499-V502 HydrophobicContact CB-CB 4.23Å; L499-V502 HydrophobicContact CB-CG2 3.5Å; L499-V502 VanDerWaalsContact CB-CG2 3.5Å; L499-V502 HydrophobicContact CD1-CG2 3.76Å; L499-V502 HydrophobicContact CG-CG2 4.12Å; H500-V502 VanDerWaalsContact C-N 3.35Å; H500-V502 PolarHBondContact O-N 3.05Å; V502-Y504 HydrophobicContact CG1-CE2 4.36Å; V502-I518 HydrophobicContact CG1-CD1 4.16Å; V502-I518 HydrophobicContact CG1-CG1 4.32Å; V502-I518 HydrophobicContact CG2-CD1 4.19Å; V502-I518 HydrophobicContact CG2-CG1 4.24Å; V502-Y531 HydrophobicContact CB-CD2 4.37Å; V502-Y531 HydrophobicContact CG2-CD1 4.43Å; V502-Y531 HydrophobicContact CG2-CD2 3.34Å; V502-Y531 HydrophobicContact CG2-CE2 4Å; V502-Y531 HydrophobicContact CG2-CG 3.59Å; V502-P532 CarbonylContact C-O 3.59Å; V502-P532 WeakPolarHBondContact CA-O 3.44Å
503	V	84.3	Confident	76	Confident	23 Å²	23	76.4 Å²	76.4	14%	0.139	36%	0.362	C	S	.	.			trans	-102.9	146.2	170.8	-171.8	0	0	0	0	110.2	P532 L534 E542	V503-P532 PolarHBondContact N-O 3.41Å; V503-L534 HydrophobicContact CG2-CB 4.3Å; V503-L534 HydrophobicContact CG2-CG 3.76Å; V503-L534 VanDerWaalsContact CG2-N 3.34Å; V503-E542 HydrophobicContact CG1-CG 4.08Å; V503-E542 WeakPolarHBondContact CG1-OE1 3.38Å
504	Y	74.6	Confident	74.6	Confident	43 Å²	43	73.6 Å²	73.6	17%	0.169	35%	0.348	C	S	.	.			trans	-124.5	151.8	167.6	-79.1	-60.1	0	0	0	108.8	N476 T480 K481 V502 D506 D517	N476-Y504 PolarHBondContact OD1-OH 3Å; T480-Y504 PolarHBondContact O-OH 2.93Å; K481-Y504 HydrophobicContact CB-CE2 4.28Å; K481-Y504 HydrophobicContact CG-CD2 4Å; K481-Y504 HydrophobicContact CG-CE2 3.57Å; V502-Y504 HydrophobicContact CG1-CE2 4.36Å; Y504-D506 PolarHBondContact O-N 3.01Å; Y504-D506 VanDerWaalsContact O-N 3.14Å; Y504-D517 HydrophobicContact CD1-CB 3.93Å; Y504-D517 WeakPolarHBondContact CD1-OD2 3.13Å; Y504-D517 HydrophobicContact CE1-CB 3.78Å
505	E	65.1	Low	73.3	Confident	47 Å²	47	72.5 Å²	72.5	22%	0.22	34%	0.336	C	S	.	.			trans	-68.5	111.8	174.3	-162.1	-172.6	-171	0	0	110.8	T507 R513	E505-T507 WeakPolarHBondContact CG-OG1 3.18Å; E505-T507 PolarHBondContact O-N 3.47Å; E505-T507 VanDerWaalsContact O-N 3.15Å; E505-T507 PolarHBondContact OE1-OG1 2.92Å; E505-T507 VanDerWaalsContact OE1-OG1 3.06Å; E505-R513 IonicContact OE1-CZ 3.94Å; E505-R513 IonicContact OE1-NH2 2.99Å; E505-R513 PolarHBondContact OE1-NH2 3.3Å; E505-R513 IonicContact OE2-CZ 2.91Å; E505-R513 VanDerWaalsContact OE2-CZ 3.32Å; E505-R513 IonicContact OE2-NE 3.34Å; E505-R513 IonicContact OE2-NH2 3.66Å; E505-R513 PolarHBondContact OE2-NH2 3.4Å
506	D	54.6	Low	72.7	Confident	141 Å²	141	72 Å²	72	75%	0.754	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.6	-177.4	-86.8	-38.4	0	0	0	114.1	Y504	Y504-D506 PolarHBondContact O-N 3.01Å; Y504-D506 VanDerWaalsContact O-N 3.14Å
507	T	52.8	Low	72.2	Confident	95 Å²	95	67 Å²	67	58%	0.583	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-45.4	-175.6	62.1	0	0	0	0	112.7	E505	E505-T507 WeakPolarHBondContact CG-OG1 3.18Å; E505-T507 PolarHBondContact O-N 3.47Å; E505-T507 VanDerWaalsContact O-N 3.15Å; E505-T507 PolarHBondContact OE1-OG1 2.92Å; E505-T507 VanDerWaalsContact OE1-OG1 3.06Å
508	N	51.6	Low	72.1	Confident	93 Å²	93	65.1 Å²	65.1	50%	0.497	30%	0.304	S	S	.	.			trans	-154.6	85	-175.6	-83.4	111	0	0	0	112.8	W510 K511	N508-W510 PolarHBondContact O-N 3.11Å; N508-K511 HydrophobicContact CB-CB 4.16Å; N508-K511 PolarHBondContact O-N 3.47Å; N508-K511 VanDerWaalsContact O-N 3.08Å
509	R	51.5	Low	72.2	Confident	152 Å²	152	62.3 Å²	62.3	57%	0.574	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	5	172.1	-58.3	-173.8	-174.3	177.4	2.8	116.8	F479	F479-R509 WeakPolarHBondContact CD1-O 3.4Å
510	W	52.3	Low	72.5	Confident	165 Å²	165	62.2 Å²	62.2	63%	0.625	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-9.7	-177	-51.7	93.8	0	0	0	112.9	F479 N508 W512	F479-W510 HydrophobicContact CD1-CE3 4.33Å; F479-W510 HydrophobicContact CD1-CZ3 4.32Å; F479-W510 HydrophobicContact CD2-CZ3 4.44Å; F479-W510 HydrophobicContact CE1-CD2 4.21Å; F479-W510 AromaticContact CE1-CE3 3.49Å; F479-W510 HydrophobicContact CE1-CE3 3.49Å; F479-W510 VanDerWaalsContact CE1-CE3 3.49Å; F479-W510 HydrophobicContact CE1-CH2 4.44Å; F479-W510 AromaticContact CE1-CZ3 3.64Å; F479-W510 HydrophobicContact CE1-CZ3 3.64Å; F479-W510 HydrophobicContact CE2-CE3 4.44Å; F479-W510 HydrophobicContact CE2-CH2 4.36Å; F479-W510 AromaticContact CE2-CZ3 3.77Å; F479-W510 HydrophobicContact CE2-CZ3 3.77Å; F479-W510 AromaticContact CZ-CE3 3.57Å; F479-W510 HydrophobicContact CZ-CE3 3.57Å; F479-W510 HydrophobicContact CZ-CH2 4.26Å; F479-W510 AromaticContact CZ-CZ3 3.33Å; F479-W510 HydrophobicContact CZ-CZ3 3.33Å; N508-W510 PolarHBondContact O-N 3.11Å; W510-W512 PolarHBondContact O-N 3.43Å
511	K	57.2	Low	73	Confident	129 Å²	129	56.2 Å²	56.2	56%	0.561	26%	0.262	S	S	*	.			trans	-100.7	80.3	-172.1	-169.3	-174.1	177.1	-175.1	0	111.1	N508 R513	N508-K511 HydrophobicContact CB-CB 4.16Å; N508-K511 PolarHBondContact O-N 3.47Å; N508-K511 VanDerWaalsContact O-N 3.08Å; K511-R513 HydrophobicContact CG-CG 4.37Å; K511-R513 WeakPolarHBondContact O-CG 3.47Å
512	W	64.4	Low	73.5	Confident	38 Å²	38	51.7 Å²	51.7	14%	0.144	24%	0.238	C	C	.	.			trans	-59.5	137.7	161.8	-176.2	86.2	0	0	0	109.2	E412 Y432 T464 W510 G514 H515 F618 T620	E412-W512 HydrophobicContact CB-CH2 4.14Å; E412-W512 HydrophobicContact CB-CZ3 4.28Å; E412-W512 HydrophobicContact CG-CH2 4.06Å; E412-W512 HydrophobicContact CG-CZ3 3.77Å; Y432-W512 AromaticContact CD1-CD2 3.94Å; Y432-W512 HydrophobicContact CD1-CD2 3.94Å; Y432-W512 AromaticContact CD1-CE3 3.69Å; Y432-W512 HydrophobicContact CD1-CE3 3.69Å; Y432-W512 HydrophobicContact CD1-CG 4.39Å; Y432-W512 HydrophobicContact CD1-CZ3 4.17Å; Y432-W512 HydrophobicContact CD2-CB 3.75Å; Y432-W512 HydrophobicContact CD2-CD2 4.27Å; Y432-W512 AromaticContact CD2-CG 3.87Å; Y432-W512 HydrophobicContact CD2-CG 3.87Å; Y432-W512 HydrophobicContact CE1-CE3 4.09Å; Y432-W512 HydrophobicContact CE2-CB 3.88Å; Y432-W512 HydrophobicContact CE2-CG 4.45Å; Y432-W512 HydrophobicContact CG-CB 4.19Å; Y432-W512 AromaticContact CG-CD2 3.78Å; Y432-W512 HydrophobicContact CG-CD2 3.78Å; Y432-W512 HydrophobicContact CG-CE3 4.04Å; Y432-W512 AromaticContact CG-CG 3.87Å; Y432-W512 HydrophobicContact CG-CG 3.87Å; T464-W512 HydrophobicContact CG2-CZ2 4.08Å; W510-W512 PolarHBondContact O-N 3.43Å; W512-G514 VanDerWaalsContact CH2-CA 3.46Å; W512-G514 VanDerWaalsContact CZ2-O 3.24Å; W512-G514 WeakPolarHBondContact CZ2-O 3.44Å; W512-H515 VanDerWaalsContact CD1-O 3.24Å; W512-H515 PolarHBondContact NE1-O 3.47Å; W512-H515 VanDerWaalsContact NE1-O 3.09Å; W512-F618 HydrophobicContact CH2-CE1 4.23Å; W512-F618 HydrophobicContact CH2-CZ 4.39Å; W512-F618 HydrophobicContact CZ3-CE1 4.13Å; W512-F618 HydrophobicContact CZ3-CZ 4.06Å; W512-T620 HydrophobicContact CH2-CG2 3.66Å; W512-T620 HydrophobicContact CZ2-CG2 4.41Å
513	R	66.6	Low	73.9	Confident	86 Å²	86	51.7 Å²	51.7	33%	0.325	24%	0.238	S	C	.	.			trans	-116.6	-10.3	-167.4	-62.9	-169.9	-178.7	-160.5	0.2	115.5	E505 K511 Y587	E505-R513 IonicContact OE1-CZ 3.94Å; E505-R513 IonicContact OE1-NH2 2.99Å; E505-R513 PolarHBondContact OE1-NH2 3.3Å; E505-R513 IonicContact OE2-CZ 2.91Å; E505-R513 VanDerWaalsContact OE2-CZ 3.32Å; E505-R513 IonicContact OE2-NE 3.34Å; E505-R513 IonicContact OE2-NH2 3.66Å; E505-R513 PolarHBondContact OE2-NH2 3.4Å; K511-R513 HydrophobicContact CG-CG 4.37Å; K511-R513 WeakPolarHBondContact O-CG 3.47Å; R513-Y587 WeakPolarHBondContact O-CE2 3.31Å; R513-Y587 VanDerWaalsContact O-CZ 3.23Å; R513-Y587 PolarHBondContact O-OH 2.86Å
514	G	64.4	Low	74.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	138.3	-28.4	-169.6	0	0	0	0	0	112.7	W512	W512-G514 VanDerWaalsContact CH2-CA 3.46Å; W512-G514 VanDerWaalsContact CZ2-O 3.24Å; W512-G514 WeakPolarHBondContact CZ2-O 3.44Å
515	H	68.6	Low	75.1	Confident	13 Å²	13	51 Å²	51	6%	0.06	24%	0.238	C	C	.	.	S	Bend	trans	-125.2	164.8	176.2	56.2	-105.5	0	0	0	111.1	W512	W512-H515 VanDerWaalsContact CD1-O 3.24Å; W512-H515 PolarHBondContact NE1-O 3.47Å; W512-H515 VanDerWaalsContact NE1-O 3.09Å
516	S	81.3	Confident	76.4	Confident	5 Å²	5	48.9 Å²	48.9	4%	0.035	23%	0.229	C	C	.	.			trans	-91	162.3	169.2	-30.4	0	0	0	0	111.4	G463 T464 G465 D519	G463-S516 VanDerWaalsContact CA-OG 3.32Å; G463-S516 WeakPolarHBondContact CA-OG 3.48Å; T464-S516 PolarHBondContact N-OG 3.28Å; G465-S516 PolarHBondContact N-OG 3.05Å; S516-D519 WeakPolarHBondContact CB-OD1 3.43Å; S516-D519 PolarHBondContact OG-OD1 3.07Å
517	D	85.7	Confident	78.5	Confident	38 Å²	38	42.3 Å²	42.3	20%	0.203	19%	0.194	C	C	.	.	S	Bend	trans	-85.3	-16.3	165.6	-71.2	-53.3	0	0	0	112.6	Y504 Y531 P532 R568	Y504-D517 HydrophobicContact CD1-CB 3.93Å; Y504-D517 WeakPolarHBondContact CD1-OD2 3.13Å; Y504-D517 HydrophobicContact CE1-CB 3.78Å; D517-Y531 WeakPolarHBondContact O-CA 3.22Å; D517-P532 HydrophobicContact CB-CG 4.48Å; D517-P532 WeakPolarHBondContact O-CD 3.2Å; D517-R568 IonicContact OD1-CZ 2.65Å; D517-R568 IonicContact OD1-NE 3.19Å; D517-R568 PolarHBondContact OD1-NE 3.42Å; D517-R568 IonicContact OD1-NH2 2.57Å; D517-R568 PolarHBondContact OD1-NH2 3.06Å; D517-R568 IonicContact OD2-NH2 2.65Å; D517-R568 PolarHBondContact OD2-NH2 3.01Å
518	I	93.2	Very high	80.6	Confident	2 Å²	2	38 Å²	38	1%	0.01	17%	0.167	C	C	.	.	S	Bend	trans	-137	109.6	174.1	-62.1	168.3	0	0	0	107	N476 I483 L499 V502 F520 V529	N476-I518 HydrophobicContact CB-CB 4.1Å; N476-I518 HydrophobicContact CB-CD1 4.42Å; N476-I518 HydrophobicContact CB-CG2 4.23Å; N476-I518 WeakPolarHBondContact ND2-CD1 3.27Å; I483-I518 HydrophobicContact CG2-CG2 4.07Å; L499-I518 HydrophobicContact CD1-CD1 4.19Å; L499-I518 HydrophobicContact CD1-CG1 4.48Å; L499-I518 HydrophobicContact CD1-CG2 4.29Å; V502-I518 HydrophobicContact CG1-CD1 4.16Å; V502-I518 HydrophobicContact CG1-CG1 4.32Å; V502-I518 HydrophobicContact CG2-CD1 4.19Å; V502-I518 HydrophobicContact CG2-CG1 4.24Å; I518-F520 HydrophobicContact CG2-CE2 4.42Å; I518-V529 HydrophobicContact CG2-CG2 3.61Å
519	D	94.7	Very high	82.8	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	144.5	173.6	-66	-52.1	0	0	0	109.1	G465 S516 V529 I530	G465-D519 WeakPolarHBondContact CA-OD1 3.35Å; G465-D519 PolarHBondContact N-OD1 2.83Å; S516-D519 WeakPolarHBondContact CB-OD1 3.43Å; S516-D519 PolarHBondContact OG-OD1 3.07Å; D519-V529 WeakPolarHBondContact O-CA 3.27Å; D519-I530 PolarHBondContact N-O 3.41Å; D519-I530 PolarHBondContact O-N 3.01Å
520	F	97.6	Very high	84.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	146.3	171.9	-63.3	-106.7	0	0	0	109.2	G465 V467 Y475 I483 I518 W528 V529 L549	G465-F520 WeakPolarHBondContact O-CD2 3.5Å; G465-F520 PolarHBondContact O-N 3.47Å; V467-F520 HydrophobicContact CB-CB 4.39Å; V467-F520 HydrophobicContact CG1-CB 3.97Å; V467-F520 WeakPolarHBondContact CG1-O 3.42Å; V467-F520 HydrophobicContact CG2-CB 3.62Å; V467-F520 HydrophobicContact CG2-CG 4.33Å; Y475-F520 VanDerWaalsContact C-CE2 3.46Å; I483-F520 HydrophobicContact CB-CE1 4.13Å; I483-F520 HydrophobicContact CB-CZ 3.64Å; I483-F520 HydrophobicContact CD1-CE1 4.39Å; I483-F520 HydrophobicContact CG2-CE1 4.07Å; I483-F520 HydrophobicContact CG2-CE2 4.17Å; I483-F520 HydrophobicContact CG2-CZ 3.44Å; I483-F520 VanDerWaalsContact CG2-CZ 3.44Å; I518-F520 HydrophobicContact CG2-CE2 4.42Å; F520-W528 WeakPolarHBondContact CA-O 3.26Å; F520-V529 HydrophobicContact CD1-CB 4.49Å; F520-L549 HydrophobicContact CD1-CD1 3.92Å; F520-L549 HydrophobicContact CE1-CD1 3.85Å
521	A	97.7	Very high	86.9	Confident	3 Å²	3	18.8 Å²	18.8	3%	0.025	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156	173.5	0	0	0	0	0	110.8	W528 I530 I576	A521-W528 HydrophobicContact CB-CB 4.36Å; A521-W528 PolarHBondContact N-O 3.19Å; A521-W528 PolarHBondContact O-N 3.21Å; A521-I530 HydrophobicContact CB-CD1 4.13Å; A521-I576 HydrophobicContact CB-CB 4.13Å; A521-I576 HydrophobicContact CB-CD1 4.16Å; A521-I576 HydrophobicContact CB-CG1 4.12Å
522	V	97.3	Very high	88.6	Confident	6 Å²	6	12.6 Å²	12.6	4%	0.036	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.4	175.8	-179.4	0	0	0	0	109	P419 V467 Y469 G526 L527 P626	P419-V522 HydrophobicContact CG-CG1 3.7Å; V467-V522 HydrophobicContact CB-CG2 4.01Å; V467-V522 HydrophobicContact CG1-CG2 4.18Å; V467-V522 HydrophobicContact CG2-CG2 3.91Å; Y469-V522 HydrophobicContact CD2-CG1 3.51Å; Y469-V522 HydrophobicContact CD2-CG2 4.11Å; Y469-V522 HydrophobicContact CE2-CG1 3.56Å; Y469-V522 HydrophobicContact CG-CG1 4.42Å; Y469-V522 HydrophobicContact CG-CG2 4.3Å; V522-G526 WeakPolarHBondContact CA-O 3.41Å; V522-L527 HydrophobicContact CG2-CD1 3.85Å; V522-P626 HydrophobicContact CG1-CG 4.25Å
523	D	95.9	Very high	89.9	Confident	2 Å²	2	11.2 Å²	11.2	1%	0.011	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	-174.8	179.8	77	-34.6	0	0	0	110.5	S525 G526 W528 I576 G579	D523-S525 VanDerWaalsContact CG-OG 3.24Å; D523-S525 PolarHBondContact O-N 3.37Å; D523-S525 PolarHBondContact OD1-N 2.81Å; D523-S525 VanDerWaalsContact OD1-N 3.12Å; D523-S525 PolarHBondContact OD1-OG 3.42Å; D523-S525 VanDerWaalsContact OD2-CB 3.25Å; D523-S525 WeakPolarHBondContact OD2-CB 3.43Å; D523-S525 PolarHBondContact OD2-N 3.49Å; D523-S525 PolarHBondContact OD2-OG 2.99Å; D523-G526 PolarHBondContact N-O 3.35Å; D523-G526 VanDerWaalsContact N-O 3.13Å; D523-G526 PolarHBondContact O-N 2.94Å; D523-G526 PolarHBondContact OD1-N 2.81Å; D523-W528 VanDerWaalsContact CG-NE1 3.26Å; D523-W528 VanDerWaalsContact OD1-CD1 3.29Å; D523-W528 PolarHBondContact OD1-NE1 2.96Å; D523-W528 PolarHBondContact OD2-NE1 3.27Å; D523-I576 HydrophobicContact CB-CG2 4.1Å; D523-G579 PolarHBondContact OD2-N 2.96Å
524	E	94.1	Very high	90.9	Very high	21 Å²	21	9.6 Å²	9.6	10%	0.098	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.6	173.3	-66.6	75.1	-161.2	0	0	112.3	L390 C578 Y624 P626	L390-E524 HydrophobicContact CB-CB 4.35Å; L390-E524 HydrophobicContact CB-CG 4.2Å; L390-E524 WeakPolarHBondContact O-CB 3.31Å; E524-C578 WeakPolarHBondContact OE2-CA 3.48Å; E524-C578 PolarHBondContact OE2-N 2.94Å; E524-Y624 WeakPolarHBondContact OE1-CE1 3.27Å; E524-Y624 VanDerWaalsContact OE1-CZ 3.31Å; E524-Y624 PolarHBondContact OE1-OH 3.39Å; E524-P626 HydrophobicContact CG-CB 4.11Å; E524-P626 WeakPolarHBondContact OE1-CB 3.06Å
525	S	91	Very high	91.4	Very high	30 Å²	30	10 Å²	10	21%	0.21	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-20.1	-174.4	87.1	0	0	0	0	114.1	D523 W528 K548	D523-S525 VanDerWaalsContact CG-OG 3.24Å; D523-S525 PolarHBondContact O-N 3.37Å; D523-S525 PolarHBondContact OD1-N 2.81Å; D523-S525 VanDerWaalsContact OD1-N 3.12Å; D523-S525 PolarHBondContact OD1-OG 3.42Å; D523-S525 VanDerWaalsContact OD2-CB 3.25Å; D523-S525 WeakPolarHBondContact OD2-CB 3.43Å; D523-S525 PolarHBondContact OD2-N 3.49Å; D523-S525 PolarHBondContact OD2-OG 2.99Å; S525-W528 WeakPolarHBondContact OG-CZ2 3.44Å; S525-W528 PolarHBondContact OG-NE1 2.79Å; S525-K548 VanDerWaalsContact C-NZ 3.27Å; S525-K548 WeakPolarHBondContact O-CE 3.29Å; S525-K548 PolarHBondContact O-NZ 2.68Å; S525-K548 PolarHBondContact OG-NZ 3.33Å
526	G	93.2	Very high	91.3	Very high	4 Å²	4	17.3 Å²	17.3	4%	0.041	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.3	-142.2	172.8	0	0	0	0	0	115.7	V522 D523	V522-G526 WeakPolarHBondContact CA-O 3.41Å; D523-G526 PolarHBondContact N-O 3.35Å; D523-G526 VanDerWaalsContact N-O 3.13Å; D523-G526 PolarHBondContact O-N 2.94Å; D523-G526 PolarHBondContact OD1-N 2.81Å
527	L	96.9	Very high	90.6	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	136	179	178.4	68.5	0	0	0	110	V467 Y469 Y474 V522 L549 P551	V467-L527 HydrophobicContact CG2-CD1 3.74Å; Y469-L527 HydrophobicContact CD1-CB 4.2Å; Y469-L527 HydrophobicContact CE1-CB 4.22Å; Y474-L527 HydrophobicContact CD1-CD2 3.71Å; Y474-L527 HydrophobicContact CE1-CD2 3.51Å; Y474-L527 HydrophobicContact CE2-CD2 4.5Å; Y474-L527 HydrophobicContact CG-CD2 4.29Å; V522-L527 HydrophobicContact CG2-CD1 3.85Å; L527-L549 HydrophobicContact CB-CB 4.49Å; L527-L549 HydrophobicContact CD2-CB 3.96Å; L527-L549 HydrophobicContact CD2-CD1 4.16Å; L527-L549 HydrophobicContact CG-CB 4.06Å; L527-L549 HydrophobicContact CG-CD1 4.26Å; L527-L549 PolarHBondContact O-N 2.75Å; L527-P551 HydrophobicContact CD2-CB 4.19Å
528	W	97.8	Very high	89.2	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.015	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	160.8	-179.4	-61.4	85.6	0	0	0	111.8	F520 A521 D523 S525 S547 K548 Y562 I576 T600	F520-W528 WeakPolarHBondContact CA-O 3.26Å; A521-W528 HydrophobicContact CB-CB 4.36Å; A521-W528 PolarHBondContact N-O 3.19Å; A521-W528 PolarHBondContact O-N 3.21Å; D523-W528 VanDerWaalsContact CG-NE1 3.26Å; D523-W528 VanDerWaalsContact OD1-CD1 3.29Å; D523-W528 PolarHBondContact OD1-NE1 2.96Å; D523-W528 PolarHBondContact OD2-NE1 3.27Å; S525-W528 WeakPolarHBondContact OG-CZ2 3.44Å; S525-W528 PolarHBondContact OG-NE1 2.79Å; W528-S547 CarbonylContact C-O 3.59Å; W528-S547 WeakPolarHBondContact CA-O 3.47Å; W528-K548 HydrophobicContact CD2-CB 4.28Å; W528-K548 HydrophobicContact CD2-CG 4.27Å; W528-K548 HydrophobicContact CE3-CB 3.92Å; W528-K548 HydrophobicContact CE3-CG 4.4Å; W528-K548 HydrophobicContact CH2-CB 4.26Å; W528-K548 HydrophobicContact CH2-CD 4.13Å; W528-K548 HydrophobicContact CZ2-CD 3.91Å; W528-K548 HydrophobicContact CZ2-CG 4.35Å; W528-K548 HydrophobicContact CZ3-CB 3.9Å; W528-Y562 HydrophobicContact CH2-CE2 4.07Å; W528-Y562 HydrophobicContact CZ3-CD2 4.1Å; W528-Y562 AromaticContact CZ3-CE2 3.91Å; W528-Y562 HydrophobicContact CZ3-CE2 3.91Å; W528-I576 HydrophobicContact CB-CD1 3.73Å; W528-I576 HydrophobicContact CD2-CD1 4Å; W528-I576 HydrophobicContact CE3-CD1 4.31Å; W528-I576 HydrophobicContact CG-CD1 3.75Å; W528-T600 HydrophobicContact CH2-CG2 4.08Å; W528-T600 HydrophobicContact CZ3-CG2 4.23Å
529	V	97.3	Very high	87.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.2	166.1	65.6	0	0	0	0	110.2	L499 I518 D519 F520 Y531 I546 S547 L549 L556	L499-V529 HydrophobicContact CD1-CG2 4.1Å; I518-V529 HydrophobicContact CG2-CG2 3.61Å; D519-V529 WeakPolarHBondContact O-CA 3.27Å; F520-V529 HydrophobicContact CD1-CB 4.49Å; V529-Y531 HydrophobicContact CG1-CD1 4.07Å; V529-Y531 HydrophobicContact CG1-CE1 4.02Å; V529-Y531 HydrophobicContact CG2-CD1 4.27Å; V529-I546 WeakPolarHBondContact O-CA 3.3Å; V529-S547 PolarHBondContact N-O 3.44Å; V529-S547 PolarHBondContact O-N 3.49Å; V529-L549 HydrophobicContact CB-CD1 3.81Å; V529-L549 HydrophobicContact CB-CG 4.28Å; V529-L549 HydrophobicContact CG1-CD1 3.97Å; V529-L549 HydrophobicContact CG1-CD2 4.28Å; V529-L549 HydrophobicContact CG1-CG 3.92Å; V529-L556 HydrophobicContact CG1-CD2 4.12Å
530	I	96.3	Very high	86.5	Confident	2 Å²	2	43 Å²	43	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.1	-176.1	-51.7	176.3	0	0	0	106.9	D519 A521 I544 I546 C574 I576 L581	D519-I530 PolarHBondContact N-O 3.41Å; D519-I530 PolarHBondContact O-N 3.01Å; A521-I530 HydrophobicContact CB-CD1 4.13Å; I530-I544 HydrophobicContact CG2-CG2 3.6Å; I530-I546 HydrophobicContact CB-CG2 4.37Å; I530-I546 HydrophobicContact CG1-CG2 4.04Å; I530-I546 HydrophobicContact CG2-CG2 4.1Å; I530-C574 HydrophobicContact CD1-CB 3.99Å; I530-C574 HydrophobicContact CG2-CB 4.43Å; I530-I576 HydrophobicContact CD1-CD1 4.19Å; I530-I576 HydrophobicContact CD1-CG1 4.21Å; I530-I576 HydrophobicContact CG1-CD1 4.2Å; I530-L581 HydrophobicContact CD1-CD1 3.89Å
531	Y	94.4	Very high	85.7	Confident	5 Å²	5	46.7 Å²	46.7	2%	0.02	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	154.4	-176.9	62.2	-93.1	0	0	0	113.9	L499 V502 D517 V529 V545 S547	L499-Y531 HydrophobicContact CD1-CD1 4.02Å; L499-Y531 HydrophobicContact CD1-CE1 4.31Å; L499-Y531 HydrophobicContact CD1-CG 4.39Å; V502-Y531 HydrophobicContact CB-CD2 4.37Å; V502-Y531 HydrophobicContact CG2-CD1 4.43Å; V502-Y531 HydrophobicContact CG2-CD2 3.34Å; V502-Y531 HydrophobicContact CG2-CE2 4Å; V502-Y531 HydrophobicContact CG2-CG 3.59Å; D517-Y531 WeakPolarHBondContact O-CA 3.22Å; V529-Y531 HydrophobicContact CG1-CD1 4.07Å; V529-Y531 HydrophobicContact CG1-CE1 4.02Å; V529-Y531 HydrophobicContact CG2-CD1 4.27Å; Y531-V545 HydrophobicContact CD2-CB 4.29Å; Y531-V545 HydrophobicContact CE1-CG1 4.35Å; Y531-V545 HydrophobicContact CE2-CB 3.93Å; Y531-V545 HydrophobicContact CE2-CG1 4.08Å; Y531-V545 PolarHBondContact N-O 3.36Å; Y531-V545 PolarHBondContact O-N 3.23Å; Y531-S547 PolarHBondContact OH-OG 3.33Å
532	P	92.6	Very high	85.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	135.8	172.9	32.2	-31.3	0	0	0	111.4	V502 V503 D517 L543 I544 R568	V502-P532 CarbonylContact C-O 3.59Å; V502-P532 WeakPolarHBondContact CA-O 3.44Å; V503-P532 PolarHBondContact N-O 3.41Å; D517-P532 HydrophobicContact CB-CG 4.48Å; D517-P532 WeakPolarHBondContact O-CD 3.2Å; P532-L543 CarbonylContact C-O 3.5Å; P532-L543 WeakPolarHBondContact CA-O 3.47Å; P532-I544 HydrophobicContact CB-CD1 3.9Å; P532-R568 HydrophobicContact CB-CB 4.04Å; P532-R568 HydrophobicContact CB-CG 3.77Å; P532-R568 HydrophobicContact CG-CG 4.13Å
533	S	91.4	Very high	84.9	Confident	9 Å²	9	50.3 Å²	50.3	6%	0.063	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	158.6	169.8	-164.5	0	0	0	0	110.5	D501 E542 L543 V545	D501-S533 WeakPolarHBondContact O-CA 3.12Å; D501-S533 PolarHBondContact O-OG 3.14Å; S533-E542 WeakPolarHBondContact O-CA 3.5Å; S533-L543 PolarHBondContact N-O 3.09Å; S533-L543 PolarHBondContact O-N 2.76Å; S533-V545 VanDerWaalsContact CB-CG2 3.47Å
534	L	86.6	Confident	84.8	Confident	51 Å²	51	50.2 Å²	50.2	27%	0.267	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.3	165.4	-81.6	175	0	0	0	108.9	V503 Y536 Q540 E542	V503-L534 HydrophobicContact CG2-CB 4.3Å; V503-L534 HydrophobicContact CG2-CG 3.76Å; V503-L534 VanDerWaalsContact CG2-N 3.34Å; L534-Y536 HydrophobicContact CB-CE2 4.31Å; L534-Q540 WeakPolarHBondContact CD2-O 3.45Å; L534-E542 HydrophobicContact CD2-CG 4.23Å
535	D	74.9	Confident	84.9	Confident	9 Å²	9	49.4 Å²	49.4	5%	0.048	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	112.7	162.4	-170.2	76.3	0	0	0	110.5	D537 Y538 Q540 Q541 L543 R563	D535-D537 VanDerWaalsContact C-N 3.27Å; D535-D537 PolarHBondContact O-N 3.13Å; D535-D537 PolarHBondContact OD2-N 2.93Å; D535-D537 VanDerWaalsContact OD2-N 3.14Å; D535-Y538 WeakPolarHBondContact OD2-CB 3.5Å; D535-Y538 WeakPolarHBondContact OD2-CD2 3.39Å; D535-Y538 PolarHBondContact OD2-N 3.37Å; D535-Q540 WeakPolarHBondContact O-CA 3.47Å; D535-Q540 PolarHBondContact O-N 3.49Å; D535-Q540 VanDerWaalsContact O-N 3.08Å; D535-Q541 PolarHBondContact N-O 3.17Å; D535-L543 HydrophobicContact CB-CD1 3.84Å; D535-L543 HydrophobicContact CB-CG 4.31Å; D535-R563 IonicContact OD1-CZ 2.65Å; D535-R563 IonicContact OD1-NE 2.96Å; D535-R563 IonicContact OD1-NH1 3.53Å; D535-R563 PolarHBondContact OD1-NH1 3.32Å
536	Y	66.7	Low	85.1	Confident	166 Å²	166	48 Å²	48	65%	0.651	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.5	-177.6	-70.3	-81.6	0	0	0	113.4	L534	L534-Y536 HydrophobicContact CB-CE2 4.31Å
537	D	67.2	Low	85.3	Confident	113 Å²	113	47.8 Å²	47.8	60%	0.604	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	-37.4	-166.5	-57.2	-67.6	0	0	0	111.5	D535 R563	D535-D537 VanDerWaalsContact C-N 3.27Å; D535-D537 PolarHBondContact O-N 3.13Å; D535-D537 PolarHBondContact OD2-N 2.93Å; D535-D537 VanDerWaalsContact OD2-N 3.14Å; D537-R563 IonicContact OD2-NH1 2.66Å; D537-R563 PolarHBondContact OD2-NH1 2.88Å
538	Y	56.2	Low	85.2	Confident	181 Å²	181	50.4 Å²	50.4	71%	0.71	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.2	56.2	-174.3	-62.5	-86.6	0	0	0	113.5	D535	D535-Y538 WeakPolarHBondContact OD2-CB 3.5Å; D535-Y538 WeakPolarHBondContact OD2-CD2 3.39Å; D535-Y538 PolarHBondContact OD2-N 3.37Å
539	N	61.3	Low	85.1	Confident	152 Å²	152	50.5 Å²	50.5	81%	0.813	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	81	32.2	170.6	-40.9	-83	0	0	0	117.6	Q541	N539-Q541 PolarHBondContact O-N 2.81Å
540	Q	71.1	Confident	85	Confident	142 Å²	142	53.4 Å²	53.4	66%	0.664	25%	0.25	S	S	*	.	S	Bend	trans	58.7	32.2	175.6	-55.4	-173.9	-48.5	0	0	113.5	L534 D535	L534-Q540 WeakPolarHBondContact CD2-O 3.45Å; D535-Q540 WeakPolarHBondContact O-CA 3.47Å; D535-Q540 PolarHBondContact O-N 3.49Å; D535-Q540 VanDerWaalsContact O-N 3.08Å
541	Q	80	Confident	84.8	Confident	78 Å²	78	55.5 Å²	55.5	36%	0.364	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	137.4	-179.2	-170.1	122.7	95.8	0	0	110.3	D535 N539 L543 K567	D535-Q541 PolarHBondContact N-O 3.17Å; N539-Q541 PolarHBondContact O-N 2.81Å; Q541-L543 HydrophobicContact CB-CD2 4.47Å; Q541-L543 HydrophobicContact CB-CG 4.31Å; Q541-L543 HydrophobicContact CG-CD2 3.85Å; Q541-L543 HydrophobicContact CG-CG 4.2Å; Q541-L543 PolarHBondContact O-N 3.31Å; Q541-K567 HydrophobicContact CG-CD 4.49Å
542	E	87.1	Confident	84.6	Confident	61 Å²	61	57.3 Å²	57.3	29%	0.285	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	101.6	170.4	-66.3	178.6	-168.8	0	0	109.1	V503 S533 L534 R568	V503-E542 HydrophobicContact CG1-CG 4.08Å; V503-E542 WeakPolarHBondContact CG1-OE1 3.38Å; S533-E542 WeakPolarHBondContact O-CA 3.5Å; L534-E542 HydrophobicContact CD2-CG 4.23Å; E542-R568 HydrophobicContact CB-CB 3.9Å; E542-R568 PolarHBondContact O-N 3.36Å; E542-R568 WeakPolarHBondContact OE2-CD 3.33Å; E542-R568 IonicContact OE2-CZ 3.36Å; E542-R568 IonicContact OE2-NE 3.61Å; E542-R568 IonicContact OE2-NH1 2.73Å; E542-R568 PolarHBondContact OE2-NH1 3.32Å
543	L	91.6	Very high	84.6	Confident	24 Å²	24	61.6 Å²	61.6	13%	0.126	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	149.5	-178.3	-67.9	-175.5	0	0	0	111	P532 S533 D535 Q541 L566 K567	P532-L543 CarbonylContact C-O 3.5Å; P532-L543 WeakPolarHBondContact CA-O 3.47Å; S533-L543 PolarHBondContact N-O 3.09Å; S533-L543 PolarHBondContact O-N 2.76Å; D535-L543 HydrophobicContact CB-CD1 3.84Å; D535-L543 HydrophobicContact CB-CG 4.31Å; Q541-L543 HydrophobicContact CB-CD2 4.47Å; Q541-L543 HydrophobicContact CB-CG 4.31Å; Q541-L543 HydrophobicContact CG-CD2 3.85Å; Q541-L543 HydrophobicContact CG-CG 4.2Å; Q541-L543 PolarHBondContact O-N 3.31Å; L543-L566 CarbonylContact C-O 3.51Å; L543-L566 WeakPolarHBondContact CA-O 3.43Å; L543-K567 HydrophobicContact CD2-CG 3.86Å
544	I	93.8	Very high	84.7	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	134	177.6	-58.9	-51	0	0	0	110.5	I530 P532 I546 T564 L566 R568 Y571	I530-I544 HydrophobicContact CG2-CG2 3.6Å; P532-I544 HydrophobicContact CB-CD1 3.9Å; I544-I546 HydrophobicContact CG2-CG2 4.49Å; I544-T564 WeakPolarHBondContact O-CB 3.39Å; I544-T564 WeakPolarHBondContact O-CG2 3.26Å; I544-T564 PolarHBondContact O-N 2.86Å; I544-T564 PolarHBondContact O-OG1 3.1Å; I544-L566 HydrophobicContact CB-CB 4.28Å; I544-L566 HydrophobicContact CB-CD2 4.33Å; I544-L566 HydrophobicContact CB-CG 4.46Å; I544-L566 HydrophobicContact CG1-CB 4.38Å; I544-L566 HydrophobicContact CG1-CD2 4.08Å; I544-L566 HydrophobicContact CG1-CG 4.09Å; I544-L566 PolarHBondContact N-O 2.74Å; I544-R568 HydrophobicContact CD1-CB 4.34Å; I544-Y571 HydrophobicContact CD1-CE1 3.7Å; I544-Y571 WeakPolarHBondContact CD1-OH 3.49Å; I544-Y571 HydrophobicContact CG1-CD1 4.41Å; I544-Y571 HydrophobicContact CG1-CE1 3.58Å
545	V	95.2	Very high	85	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.03	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.7	176.5	178.7	0	0	0	0	107.7	Y531 S533 T561 Y562 R563	Y531-V545 HydrophobicContact CD2-CB 4.29Å; Y531-V545 HydrophobicContact CE1-CG1 4.35Å; Y531-V545 HydrophobicContact CE2-CB 3.93Å; Y531-V545 HydrophobicContact CE2-CG1 4.08Å; Y531-V545 PolarHBondContact N-O 3.36Å; Y531-V545 PolarHBondContact O-N 3.23Å; S533-V545 VanDerWaalsContact CB-CG2 3.47Å; V545-T561 HydrophobicContact CG1-CG2 3.73Å; V545-Y562 WeakPolarHBondContact CA-O 3.5Å; V545-Y562 WeakPolarHBondContact CG1-O 3.45Å; V545-R563 HydrophobicContact CG2-CG 4.1Å
546	I	96.4	Very high	85.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.6	173.8	60.1	-174.7	0	0	0	108.8	V529 I530 I544 Y562 T564 I576 L581 Y598 T600	V529-I546 WeakPolarHBondContact O-CA 3.3Å; I530-I546 HydrophobicContact CB-CG2 4.37Å; I530-I546 HydrophobicContact CG1-CG2 4.04Å; I530-I546 HydrophobicContact CG2-CG2 4.1Å; I544-I546 HydrophobicContact CG2-CG2 4.49Å; I546-Y562 HydrophobicContact CG1-CD2 4.31Å; I546-Y562 PolarHBondContact N-O 3.17Å; I546-Y562 PolarHBondContact O-N 2.9Å; I546-T564 HydrophobicContact CD1-CG2 4.33Å; I546-T564 HydrophobicContact CG1-CG2 4.32Å; I546-I576 HydrophobicContact CG2-CD1 4.48Å; I546-L581 HydrophobicContact CD1-CB 3.81Å; I546-L581 HydrophobicContact CD1-CD2 4.32Å; I546-L581 HydrophobicContact CG2-CD1 4.1Å; I546-L581 HydrophobicContact CG2-CD2 3.83Å; I546-L581 HydrophobicContact CG2-CG 4.39Å; I546-Y598 HydrophobicContact CD1-CD1 3.97Å; I546-T600 HydrophobicContact CD1-CG2 3.54Å; I546-T600 HydrophobicContact CG1-CG2 4.22Å
547	S	96.1	Very high	87	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.8	-179.1	-62.3	0	0	0	0	111.8	W528 V529 Y531 L556 T560 T561	W528-S547 CarbonylContact C-O 3.59Å; W528-S547 WeakPolarHBondContact CA-O 3.47Å; V529-S547 PolarHBondContact N-O 3.44Å; V529-S547 PolarHBondContact O-N 3.49Å; Y531-S547 PolarHBondContact OH-OG 3.33Å; S547-L556 VanDerWaalsContact CB-CD2 3.45Å; S547-T560 WeakPolarHBondContact CA-O 3.27Å; S547-T561 WeakPolarHBondContact CB-OG1 3.48Å; S547-T561 WeakPolarHBondContact OG-CB 3.43Å; S547-T561 WeakPolarHBondContact OG-CG2 3.33Å; S547-T561 PolarHBondContact OG-OG1 3.46Å
548	K	95.9	Very high	88	Confident	57 Å²	57	63.3 Å²	63.3	25%	0.248	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	128.9	174.2	-157.4	161.3	-174.1	156.6	0	109.9	S525 W528 T560	S525-K548 VanDerWaalsContact C-NZ 3.27Å; S525-K548 WeakPolarHBondContact O-CE 3.29Å; S525-K548 PolarHBondContact O-NZ 2.68Å; S525-K548 PolarHBondContact OG-NZ 3.33Å; W528-K548 HydrophobicContact CD2-CB 4.28Å; W528-K548 HydrophobicContact CD2-CG 4.27Å; W528-K548 HydrophobicContact CE3-CB 3.92Å; W528-K548 HydrophobicContact CE3-CG 4.4Å; W528-K548 HydrophobicContact CH2-CB 4.26Å; W528-K548 HydrophobicContact CH2-CD 4.13Å; W528-K548 HydrophobicContact CZ2-CD 3.91Å; W528-K548 HydrophobicContact CZ2-CG 4.35Å; W528-K548 HydrophobicContact CZ3-CB 3.9Å; K548-T560 PolarHBondContact N-O 2.85Å
549	L	95.4	Very high	89.6	Confident	6 Å²	6	61.4 Å²	61.4	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	137.9	178.1	-77.7	171.1	0	0	0	110.3	I483 F520 L527 V529 P551 L554 L556	I483-L549 HydrophobicContact CD1-CD1 3.88Å; I483-L549 HydrophobicContact CD1-CD2 3.63Å; I483-L549 HydrophobicContact CD1-CG 4.44Å; F520-L549 HydrophobicContact CD1-CD1 3.92Å; F520-L549 HydrophobicContact CE1-CD1 3.85Å; L527-L549 HydrophobicContact CB-CB 4.49Å; L527-L549 HydrophobicContact CD2-CB 3.96Å; L527-L549 HydrophobicContact CD2-CD1 4.16Å; L527-L549 HydrophobicContact CG-CB 4.06Å; L527-L549 HydrophobicContact CG-CD1 4.26Å; L527-L549 PolarHBondContact O-N 2.75Å; V529-L549 HydrophobicContact CB-CD1 3.81Å; V529-L549 HydrophobicContact CB-CG 4.28Å; V529-L549 HydrophobicContact CG1-CD1 3.97Å; V529-L549 HydrophobicContact CG1-CD2 4.28Å; V529-L549 HydrophobicContact CG1-CG 3.92Å; L549-P551 WeakPolarHBondContact O-CD 3.44Å; L549-L554 HydrophobicContact CD2-CB 4.45Å; L549-L556 HydrophobicContact CD2-CD2 3.54Å; L549-L556 HydrophobicContact CD2-CG 3.94Å; L549-L556 HydrophobicContact CG-CD2 4.22Å
550	D	94.2	Very high	91.1	Very high	61 Å²	61	55.8 Å²	55.8	33%	0.326	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-72.5	117.9	161.4	-164	-60.4	0	0	0	109	G552 L554 S555	D550-G552 PolarHBondContact O-N 3.41Å; D550-G552 VanDerWaalsContact O-N 3.16Å; D550-G552 WeakPolarHBondContact OD1-CA 2.85Å; D550-G552 PolarHBondContact OD1-N 2.89Å; D550-L554 VanDerWaalsContact O-CA 3.28Å; D550-L554 WeakPolarHBondContact O-CA 3.4Å; D550-L554 PolarHBondContact O-N 2.99Å; D550-S555 WeakPolarHBondContact CB-OG 3.42Å; D550-S555 PolarHBondContact N-O 3.11Å
551	P	92.8	Very high	92.2	Very high	45 Å²	45	51.2 Å²	51.2	29%	0.292	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-8.8	-178.7	31.6	-36.9	0	0	0	112.3	Y469 K485 L527 L549	Y469-P551 HydrophobicContact CD1-CB 4.1Å; Y469-P551 HydrophobicContact CE1-CB 4.03Å; Y469-P551 HydrophobicContact CE1-CG 4.21Å; K485-P551 WeakPolarHBondContact CD-O 3.47Å; K485-P551 WeakPolarHBondContact CE-O 3.23Å; K485-P551 PolarHBondContact NZ-O 3.49Å; L527-P551 HydrophobicContact CD2-CB 4.19Å; L549-P551 WeakPolarHBondContact O-CD 3.44Å
552	G	91	Very high	92.9	Very high	43 Å²	43	49.5 Å²	49.5	44%	0.443	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-63.9	173.5	0	0	0	0	0	112.2	K485 D550	K485-G552 PolarHBondContact NZ-O 3.19Å; D550-G552 PolarHBondContact O-N 3.41Å; D550-G552 VanDerWaalsContact O-N 3.16Å; D550-G552 WeakPolarHBondContact OD1-CA 2.85Å; D550-G552 PolarHBondContact OD1-N 2.89Å
553	D	91.1	Very high	93.1	Very high	91 Å²	91	52 Å²	52	49%	0.487	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-2.8	-168.8	70.4	-10.4	0	0	0	115.3	S555	D553-S555 VanDerWaalsContact C-N 3.3Å; D553-S555 WeakPolarHBondContact OD1-CB 3.39Å; D553-S555 PolarHBondContact OD1-N 3.27Å; D553-S555 PolarHBondContact OD1-OG 2.82Å; D553-S555 PolarHBondContact OD2-OG 3.45Å
554	L	94.6	Very high	93.2	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.259	C	S	.	.			trans	66.5	23.3	-172.2	-51.5	174.2	0	0	0	114.5	Y474 I483 K485 A495 T497 L549 D550	Y474-L554 HydrophobicContact CD1-CD2 3.76Å; Y474-L554 HydrophobicContact CE1-CD2 3.72Å; I483-L554 HydrophobicContact CD1-CB 4.07Å; I483-L554 HydrophobicContact CD1-CD1 4.27Å; I483-L554 HydrophobicContact CD1-CD2 4.44Å; I483-L554 HydrophobicContact CG1-CD1 4.13Å; K485-L554 HydrophobicContact CB-CD1 3.94Å; K485-L554 HydrophobicContact CB-CD2 4.22Å; K485-L554 HydrophobicContact CB-CG 4.26Å; A495-L554 HydrophobicContact CB-CD1 4.08Å; A495-L554 HydrophobicContact CB-CG 4.11Å; T497-L554 HydrophobicContact CG2-CB 3.81Å; T497-L554 WeakPolarHBondContact CG2-O 3.43Å; L549-L554 HydrophobicContact CD2-CB 4.45Å; D550-L554 VanDerWaalsContact O-CA 3.28Å; D550-L554 WeakPolarHBondContact O-CA 3.4Å; D550-L554 PolarHBondContact O-N 2.99Å
555	S	92.5	Very high	93.1	Very high	39 Å²	39	52.5 Å²	52.5	27%	0.273	27%	0.274	S	S	.	.			trans	-65.8	146.9	172.5	57.4	0	0	0	0	112.3	D550 D553	D550-S555 WeakPolarHBondContact CB-OG 3.42Å; D550-S555 PolarHBondContact N-O 3.11Å; D553-S555 VanDerWaalsContact C-N 3.3Å; D553-S555 WeakPolarHBondContact OD1-CB 3.39Å; D553-S555 PolarHBondContact OD1-N 3.27Å; D553-S555 PolarHBondContact OD1-OG 2.82Å; D553-S555 PolarHBondContact OD2-OG 3.45Å
556	L	91.9	Very high	93	Very high	61 Å²	61	52.5 Å²	52.5	32%	0.319	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.2	174.7	-67.7	163	0	0	0	108	L499 V529 S547 L549	L499-L556 HydrophobicContact CD2-CD1 3.97Å; L499-L556 HydrophobicContact CG-CD1 4.27Å; V529-L556 HydrophobicContact CG1-CD2 4.12Å; S547-L556 VanDerWaalsContact CB-CD2 3.45Å; L549-L556 HydrophobicContact CD2-CD2 3.54Å; L549-L556 HydrophobicContact CD2-CG 3.94Å; L549-L556 HydrophobicContact CG-CD2 4.22Å
557	K	91.2	Very high	92.7	Very high	97 Å²	97	57.2 Å²	57.2	42%	0.422	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.5	178	-64.6	170.6	-170.7	157.1	0	109.4	E559 T560 T561	K557-E559 PolarHBondContact O-N 2.84Å; K557-T560 CarbonylContact O-C 3.56Å; K557-T560 PolarHBondContact O-N 3.18Å; K557-T560 PolarHBondContact O-OG1 3.4Å; K557-T561 PolarHBondContact O-N 3.47Å; K557-T561 PolarHBondContact O-OG1 2.88Å
558	K	87.9	Confident	92.2	Very high	185 Å²	185	58.3 Å²	58.3	80%	0.804	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	-30.7	-176.5	-173.3	176.8	177.5	-178	0	111.5	T560 T561	K558-T560 PolarHBondContact O-N 3.33Å; K558-T561 PolarHBondContact O-N 3.43Å
559	E	90.4	Very high	91.6	Very high	142 Å²	142	59.1 Å²	59.1	66%	0.664	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	-16.7	173.7	-41.4	84	-97.2	0	0	113.5	K557	K557-E559 PolarHBondContact O-N 2.84Å
560	T	92.3	Very high	91.2	Very high	34 Å²	34	61.5 Å²	61.5	21%	0.209	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	30.4	-178.6	64.4	0	0	0	0	112.2	S547 K548 K557 K558	S547-T560 WeakPolarHBondContact CA-O 3.27Å; K548-T560 PolarHBondContact N-O 2.85Å; K557-T560 CarbonylContact O-C 3.56Å; K557-T560 PolarHBondContact O-N 3.18Å; K557-T560 PolarHBondContact O-OG1 3.4Å; K558-T560 PolarHBondContact O-N 3.33Å
561	T	94.6	Very high	90.9	Very high	45 Å²	45	59 Å²	59	28%	0.276	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113.6	175.2	-74.9	0	0	0	0	108.4	V545 S547 K557 K558	V545-T561 HydrophobicContact CG1-CG2 3.73Å; S547-T561 WeakPolarHBondContact CB-OG1 3.48Å; S547-T561 WeakPolarHBondContact OG-CB 3.43Å; S547-T561 WeakPolarHBondContact OG-CG2 3.33Å; S547-T561 PolarHBondContact OG-OG1 3.46Å; K557-T561 PolarHBondContact O-N 3.47Å; K557-T561 PolarHBondContact O-OG1 2.88Å; K558-T561 PolarHBondContact O-N 3.43Å
562	Y	94.6	Very high	90.7	Very high	42 Å²	42	56.9 Å²	56.9	17%	0.165	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.8	-171.7	-52.5	-91.9	0	0	0	109.8	W528 V545 I546 Y598 T600 N603	W528-Y562 HydrophobicContact CH2-CE2 4.07Å; W528-Y562 HydrophobicContact CZ3-CD2 4.1Å; W528-Y562 AromaticContact CZ3-CE2 3.91Å; W528-Y562 HydrophobicContact CZ3-CE2 3.91Å; V545-Y562 WeakPolarHBondContact CA-O 3.5Å; V545-Y562 WeakPolarHBondContact CG1-O 3.45Å; I546-Y562 HydrophobicContact CG1-CD2 4.31Å; I546-Y562 PolarHBondContact N-O 3.17Å; I546-Y562 PolarHBondContact O-N 2.9Å; Y562-Y598 HydrophobicContact CD1-CE1 4.37Å; Y562-Y598 HydrophobicContact CG-CE1 4.3Å; Y562-T600 HydrophobicContact CD1-CG2 4.14Å; Y562-T600 HydrophobicContact CD2-CG2 3.48Å; Y562-T600 VanDerWaalsContact CD2-CG2 3.48Å; Y562-T600 HydrophobicContact CE1-CG2 4.34Å; Y562-T600 WeakPolarHBondContact CE1-O 3.29Å; Y562-T600 HydrophobicContact CE2-CG2 3.71Å; Y562-T600 HydrophobicContact CG-CG2 3.72Å; Y562-N603 WeakPolarHBondContact CD1-OD1 3.42Å
563	R	92.4	Very high	90.8	Very high	114 Å²	114	55 Å²	55	43%	0.43	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.3	170.6	-67	-168.7	179.5	163.1	6.8	109	D535 D537 V545 Y598	D535-R563 IonicContact OD1-CZ 2.65Å; D535-R563 IonicContact OD1-NE 2.96Å; D535-R563 IonicContact OD1-NH1 3.53Å; D535-R563 PolarHBondContact OD1-NH1 3.32Å; D537-R563 IonicContact OD2-NH1 2.66Å; D537-R563 PolarHBondContact OD2-NH1 2.88Å; V545-R563 HydrophobicContact CG2-CG 4.1Å; R563-Y598 VanDerWaalsContact O-CE2 3.23Å; R563-Y598 WeakPolarHBondContact O-CE2 3.33Å; R563-Y598 PolarHBondContact O-OH 2.81Å
564	T	93.7	Very high	91	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	154.6	-179	80.5	0	0	0	0	110.6	I544 I546 L566 L581 Y596 Y598	I544-T564 WeakPolarHBondContact O-CB 3.39Å; I544-T564 WeakPolarHBondContact O-CG2 3.26Å; I544-T564 PolarHBondContact O-N 2.86Å; I544-T564 PolarHBondContact O-OG1 3.1Å; I546-T564 HydrophobicContact CD1-CG2 4.33Å; I546-T564 HydrophobicContact CG1-CG2 4.32Å; T564-L566 PolarHBondContact O-N 2.85Å; T564-L566 PolarHBondContact OG1-N 3.3Å; T564-L581 HydrophobicContact CG2-CD2 4.15Å; T564-Y596 WeakPolarHBondContact CB-OH 3.46Å; T564-Y598 HydrophobicContact CG2-CD1 4.08Å; T564-Y598 HydrophobicContact CG2-CD2 3.54Å; T564-Y598 HydrophobicContact CG2-CE1 4.46Å; T564-Y598 HydrophobicContact CG2-CE2 3.97Å; T564-Y598 HydrophobicContact CG2-CG 3.62Å
565	G	91.6	Very high	91.1	Very high	31 Å²	31	50.7 Å²	50.7	32%	0.32	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-7.2	172.7	0	0	0	0	0	114.6	K567 Y596 E605	G565-K567 PolarHBondContact O-N 2.97Å; G565-Y596 PolarHBondContact N-OH 2.88Å; G565-Y596 VanDerWaalsContact N-OH 3.17Å; G565-E605 PolarHBondContact N-OE1 2.82Å
566	L	91.8	Very high	91.3	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	129.1	177.4	-176	63.7	0	0	0	111	L543 I544 T564 Y571 A583 Y596	L543-L566 CarbonylContact C-O 3.51Å; L543-L566 WeakPolarHBondContact CA-O 3.43Å; I544-L566 HydrophobicContact CB-CB 4.28Å; I544-L566 HydrophobicContact CB-CD2 4.33Å; I544-L566 HydrophobicContact CB-CG 4.46Å; I544-L566 HydrophobicContact CG1-CB 4.38Å; I544-L566 HydrophobicContact CG1-CD2 4.08Å; I544-L566 HydrophobicContact CG1-CG 4.09Å; I544-L566 PolarHBondContact N-O 2.74Å; T564-L566 PolarHBondContact O-N 2.85Å; T564-L566 PolarHBondContact OG1-N 3.3Å; L566-Y571 HydrophobicContact CD1-CD1 4.2Å; L566-Y571 HydrophobicContact CD2-CD1 3.81Å; L566-Y571 HydrophobicContact CD2-CE1 4.31Å; L566-Y571 HydrophobicContact CD2-CG 4.17Å; L566-Y571 HydrophobicContact CG-CD1 3.95Å; L566-A583 HydrophobicContact CD1-CB 4.43Å; L566-A583 HydrophobicContact CD2-CB 3.7Å; L566-Y596 HydrophobicContact CB-CD1 4.01Å; L566-Y596 HydrophobicContact CB-CE1 3.65Å; L566-Y596 HydrophobicContact CB-CE2 4.39Å; L566-Y596 HydrophobicContact CD1-CD1 4.16Å; L566-Y596 HydrophobicContact CD1-CG 4.16Å; L566-Y596 HydrophobicContact CD2-CD1 4.15Å; L566-Y596 HydrophobicContact CD2-CE1 4.37Å; L566-Y596 HydrophobicContact CG-CD1 4.34Å; L566-Y596 HydrophobicContact CG-CE1 4.44Å; L566-Y596 PolarHBondContact N-OH 2.77Å
567	K	90.4	Very high	91.5	Very high	100 Å²	100	46 Å²	46	44%	0.435	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	141.5	-175.6	-54.6	-174.7	-173.7	-160.9	0	110	Q541 L543 G565 N569 S570	Q541-K567 HydrophobicContact CG-CD 4.49Å; L543-K567 HydrophobicContact CD2-CG 3.86Å; G565-K567 PolarHBondContact O-N 2.97Å; K567-N569 PolarHBondContact O-N 3.29Å; K567-S570 PolarHBondContact N-OG 2.97Å; K567-S570 PolarHBondContact O-N 3.38Å; K567-S570 PolarHBondContact O-OG 3.49Å
568	R	86.1	Confident	91.7	Very high	22 Å²	22	41.8 Å²	41.8	8%	0.083	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	136.6	173.5	-166.1	-163.4	173.6	-140.9	-6.3	109.9	D517 P532 E542 I544 S570	D517-R568 IonicContact OD1-CZ 2.65Å; D517-R568 IonicContact OD1-NE 3.19Å; D517-R568 PolarHBondContact OD1-NE 3.42Å; D517-R568 IonicContact OD1-NH2 2.57Å; D517-R568 PolarHBondContact OD1-NH2 3.06Å; D517-R568 IonicContact OD2-NH2 2.65Å; D517-R568 PolarHBondContact OD2-NH2 3.01Å; P532-R568 HydrophobicContact CB-CB 4.04Å; P532-R568 HydrophobicContact CB-CG 3.77Å; P532-R568 HydrophobicContact CG-CG 4.13Å; E542-R568 HydrophobicContact CB-CB 3.9Å; E542-R568 PolarHBondContact O-N 3.36Å; E542-R568 WeakPolarHBondContact OE2-CD 3.33Å; E542-R568 IonicContact OE2-CZ 3.36Å; E542-R568 IonicContact OE2-NE 3.61Å; E542-R568 IonicContact OE2-NH1 2.73Å; E542-R568 PolarHBondContact OE2-NH1 3.32Å; I544-R568 HydrophobicContact CD1-CB 4.34Å; R568-S570 VanDerWaalsContact C-N 3.29Å; R568-S570 PolarHBondContact O-N 2.99Å
569	N	83.4	Confident	92	Very high	74 Å²	74	33 Å²	33	40%	0.396	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	6	-171.9	-43.7	-100.3	0	0	0	116	K567	K567-N569 PolarHBondContact O-N 3.29Å
570	S	86.5	Confident	92.3	Very high	57 Å²	57	26.4 Å²	26.4	40%	0.399	14%	0.139	S	C	.	.	S	Bend	trans	-97.5	22.3	171.8	81.5	0	0	0	0	113.7	K567 R568	K567-S570 PolarHBondContact N-OG 2.97Å; K567-S570 PolarHBondContact O-N 3.38Å; K567-S570 PolarHBondContact O-OG 3.49Å; R568-S570 VanDerWaalsContact C-N 3.29Å; R568-S570 PolarHBondContact O-N 2.99Å
571	Y	89.3	Confident	92.6	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.027	13%	0.129	C	C	.	.			trans	-150.3	158.4	177.3	64.5	-83.2	0	0	0	110.1	I544 L566 C574 V584 D585	I544-Y571 HydrophobicContact CD1-CE1 3.7Å; I544-Y571 WeakPolarHBondContact CD1-OH 3.49Å; I544-Y571 HydrophobicContact CG1-CD1 4.41Å; I544-Y571 HydrophobicContact CG1-CE1 3.58Å; L566-Y571 HydrophobicContact CD1-CD1 4.2Å; L566-Y571 HydrophobicContact CD2-CD1 3.81Å; L566-Y571 HydrophobicContact CD2-CE1 4.31Å; L566-Y571 HydrophobicContact CD2-CG 4.17Å; L566-Y571 HydrophobicContact CG-CD1 3.95Å; Y571-C574 WeakPolarHBondContact CD2-SG 3.42Å; Y571-V584 CarbonylContact C-O 3.59Å; Y571-V584 WeakPolarHBondContact CA-O 3.24Å; Y571-D585 CarbonylContact C-O 3.59Å; Y571-D585 WeakPolarHBondContact CA-O 3.5Å
572	G	87.6	Confident	92.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	12%	0.117	C	C	.	.	S	Bend	trans	-94.3	-39.6	174.1	0	0	0	0	0	114.1	V584 D585	G572-V584 PolarHBondContact N-O 2.89Å; G572-D585 PolarHBondContact N-O 3.33Å
573	N	92.8	Very high	92.8	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.016	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	167.7	173.1	-124.9	-108.4	0	0	0	111.1	V584 I622	N573-V584 PolarHBondContact O-N 3.44Å; N573-I622 HydrophobicContact CB-CB 4.15Å; N573-I622 HydrophobicContact CB-CD1 3.73Å; N573-I622 HydrophobicContact CB-CG1 3.8Å; N573-I622 PolarHBondContact OD1-N 3.33Å
574	C	94.8	Very high	93	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.014	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	138.3	-176.4	-77.4	0	0	0	0	111.1	I530 Y571 L581 Y582 A583	I530-C574 HydrophobicContact CD1-CB 3.99Å; I530-C574 HydrophobicContact CG2-CB 4.43Å; Y571-C574 WeakPolarHBondContact CD2-SG 3.42Å; C574-L581 HydrophobicContact CB-CD1 3.9Å; C574-Y582 WeakPolarHBondContact CA-O 3.45Å; C574-A583 VanDerWaalsContact SG-CB 3.54Å
575	F	96.8	Very high	92.9	Very high	1 Å²	1	17.6 Å²	17.6	0%	0.004	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	163.3	173.9	58.7	-91.4	0	0	0	111	L396 I399 I577 Y582 V584 I622 L631	L396-F575 HydrophobicContact CD2-CE2 4.05Å; L396-F575 HydrophobicContact CD2-CZ 4.08Å; I399-F575 HydrophobicContact CD1-CZ 4.15Å; F575-I577 HydrophobicContact CD2-CD1 4.03Å; F575-I577 HydrophobicContact CD2-CG1 3.88Å; F575-I577 HydrophobicContact CE2-CD1 3.76Å; F575-I577 HydrophobicContact CE2-CG1 4.06Å; F575-Y582 HydrophobicContact CD2-CD2 4.23Å; F575-Y582 AromaticContact CE2-CD2 3.79Å; F575-Y582 HydrophobicContact CE2-CD2 3.79Å; F575-Y582 AromaticContact CE2-CG 3.87Å; F575-Y582 HydrophobicContact CE2-CG 3.87Å; F575-Y582 HydrophobicContact CZ-CG 4.19Å; F575-Y582 PolarHBondContact N-O 3.28Å; F575-Y582 PolarHBondContact O-N 3.37Å; F575-V584 HydrophobicContact CE1-CG2 4.14Å; F575-I622 HydrophobicContact CD1-CB 4.43Å; F575-I622 HydrophobicContact CD1-CG2 3.69Å; F575-I622 HydrophobicContact CE1-CG2 4.2Å; F575-I622 HydrophobicContact CG-CG2 4.44Å; F575-L631 HydrophobicContact CB-CD2 4.31Å; F575-L631 HydrophobicContact CD1-CD2 4.15Å; F575-L631 HydrophobicContact CD2-CD2 3.65Å; F575-L631 HydrophobicContact CE1-CD1 4.04Å; F575-L631 HydrophobicContact CE1-CD2 4.38Å; F575-L631 HydrophobicContact CE2-CD1 4.31Å; F575-L631 HydrophobicContact CE2-CD2 3.9Å; F575-L631 HydrophobicContact CG-CD2 3.78Å; F575-L631 HydrophobicContact CZ-CD1 3.93Å; F575-L631 HydrophobicContact CZ-CD2 4.26Å
576	I	97.6	Very high	92.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.7	178.4	-62	178.1	0	0	0	109.1	A521 D523 W528 I530 I546 V580 L581 Y624	A521-I576 HydrophobicContact CB-CB 4.13Å; A521-I576 HydrophobicContact CB-CD1 4.16Å; A521-I576 HydrophobicContact CB-CG1 4.12Å; D523-I576 HydrophobicContact CB-CG2 4.1Å; W528-I576 HydrophobicContact CB-CD1 3.73Å; W528-I576 HydrophobicContact CD2-CD1 4Å; W528-I576 HydrophobicContact CE3-CD1 4.31Å; W528-I576 HydrophobicContact CG-CD1 3.75Å; I530-I576 HydrophobicContact CD1-CD1 4.19Å; I530-I576 HydrophobicContact CD1-CG1 4.21Å; I530-I576 HydrophobicContact CG1-CD1 4.2Å; I546-I576 HydrophobicContact CG2-CD1 4.48Å; I576-V580 VanDerWaalsContact CA-O 3.31Å; I576-V580 WeakPolarHBondContact CA-O 3.42Å; I576-L581 HydrophobicContact CG1-CB 4.31Å; I576-L581 HydrophobicContact CG1-CD1 3.98Å; I576-Y624 WeakPolarHBondContact O-CD1 3.4Å
577	I	96.6	Very high	92.7	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.8	171.6	-49.6	-176	0	0	0	107.4	L396 F575 G579 V580 Y582 Y624 F646	L396-I577 HydrophobicContact CD1-CD1 4.39Å; L396-I577 HydrophobicContact CD2-CD1 4.48Å; F575-I577 HydrophobicContact CD2-CD1 4.03Å; F575-I577 HydrophobicContact CD2-CG1 3.88Å; F575-I577 HydrophobicContact CE2-CD1 3.76Å; F575-I577 HydrophobicContact CE2-CG1 4.06Å; I577-G579 PolarHBondContact O-N 3.45Å; I577-V580 PolarHBondContact N-O 2.94Å; I577-V580 PolarHBondContact O-N 2.88Å; I577-Y582 HydrophobicContact CB-CE2 4.22Å; I577-Y582 HydrophobicContact CG1-CD2 4.46Å; I577-Y582 HydrophobicContact CG1-CE2 4.49Å; I577-Y624 HydrophobicContact CB-CD1 4.29Å; I577-Y624 HydrophobicContact CB-CE1 4.2Å; I577-Y624 HydrophobicContact CD1-CD2 3.88Å; I577-Y624 HydrophobicContact CD1-CE2 4.02Å; I577-Y624 HydrophobicContact CD1-CG 4.21Å; I577-Y624 HydrophobicContact CG1-CD1 3.82Å; I577-Y624 HydrophobicContact CG1-CD2 3.94Å; I577-Y624 HydrophobicContact CG1-CE1 4.07Å; I577-Y624 HydrophobicContact CG1-CE2 4.21Å; I577-Y624 HydrophobicContact CG1-CG 3.74Å; I577-Y624 HydrophobicContact CG2-CD1 4.31Å; I577-Y624 HydrophobicContact CG2-CE1 3.72Å; I577-Y624 HydrophobicContact CG2-CE2 4.38Å; I577-F646 HydrophobicContact CG2-CE1 3.77Å; I577-F646 HydrophobicContact CG2-CZ 4.02Å
578	C	94.4	Very high	92.7	Very high	8 Å²	8	19 Å²	19	5%	0.054	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	25.1	-180	-58.6	0	0	0	0	116.5	C392 E524 V580 H601	C392-C578 VanDerWaalsContact CA-SG 3.5Å; C392-C578 HydrophobicContact CB-CB 3.9Å; C392-C578 WeakPolarHBondContact CB-SG 3.21Å; C392-C578 WeakPolarHBondContact SG-CB 3.36Å; C392-C578 CovalentContact SG-SG 2.02Å; C392-C578 PolarHBondContact SG-SG 3.49Å; E524-C578 WeakPolarHBondContact OE2-CA 3.48Å; E524-C578 PolarHBondContact OE2-N 2.94Å; C578-V580 VanDerWaalsContact C-N 3.33Å; C578-H601 PolarHBondContact O-NE2 2.99Å
579	G	94.6	Very high	93	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	8.7	-172.2	0	0	0	0	0	115.4	D523 I577 T600	D523-G579 PolarHBondContact OD2-N 2.96Å; I577-G579 PolarHBondContact O-N 3.45Å; G579-T600 WeakPolarHBondContact O-CB 3.48Å; G579-T600 VanDerWaalsContact O-CG2 3.32Å; G579-T600 WeakPolarHBondContact O-CG2 3.2Å; G579-T600 PolarHBondContact O-N 3.12Å; G579-T600 PolarHBondContact O-OG1 2.87Å
580	V	96.9	Very high	93.5	Very high	4 Å²	4	24 Å²	24	2%	0.024	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.5	169.5	-174.2	0	0	0	0	108.7	I576 I577 C578 Y582 A597 Y598 D599	I576-V580 VanDerWaalsContact CA-O 3.31Å; I576-V580 WeakPolarHBondContact CA-O 3.42Å; I577-V580 PolarHBondContact N-O 2.94Å; I577-V580 PolarHBondContact O-N 2.88Å; C578-V580 VanDerWaalsContact C-N 3.33Å; V580-Y582 HydrophobicContact CB-CD2 4.48Å; V580-Y582 HydrophobicContact CB-CE2 3.77Å; V580-Y582 HydrophobicContact CG1-CD2 4.26Å; V580-Y582 HydrophobicContact CG1-CE1 4.19Å; V580-Y582 HydrophobicContact CG1-CE2 3.68Å; V580-Y582 WeakPolarHBondContact O-CD2 3.43Å; V580-A597 HydrophobicContact CG1-CB 4.28Å; V580-Y598 CarbonylContact C-O 3.41Å; V580-Y598 WeakPolarHBondContact CA-O 3.39Å; V580-D599 HydrophobicContact CG1-CB 4.49Å; V580-D599 HydrophobicContact CG2-CB 4.16Å
581	L	97.6	Very high	94	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.7	169.8	172.4	74.3	0	0	0	109.2	I530 I546 T564 C574 I576 Y596 A597 Y598	I530-L581 HydrophobicContact CD1-CD1 3.89Å; I546-L581 HydrophobicContact CD1-CB 3.81Å; I546-L581 HydrophobicContact CD1-CD2 4.32Å; I546-L581 HydrophobicContact CG2-CD1 4.1Å; I546-L581 HydrophobicContact CG2-CD2 3.83Å; I546-L581 HydrophobicContact CG2-CG 4.39Å; T564-L581 HydrophobicContact CG2-CD2 4.15Å; C574-L581 HydrophobicContact CB-CD1 3.9Å; I576-L581 HydrophobicContact CG1-CB 4.31Å; I576-L581 HydrophobicContact CG1-CD1 3.98Å; L581-Y596 HydrophobicContact CD2-CE1 4.49Å; L581-A597 CarbonylContact O-C 3.32Å; L581-A597 WeakPolarHBondContact O-CA 3.49Å; L581-A597 WeakPolarHBondContact O-CB 3.36Å; L581-Y598 PolarHBondContact N-O 3.25Å; L581-Y598 PolarHBondContact O-N 3.18Å
582	Y	97.6	Very high	94.2	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.02	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.3	170.8	-65.7	-84.8	0	0	0	109.4	L396 C574 F575 I577 V580 V594 A597	L396-Y582 HydrophobicContact CB-CE1 4.03Å; L396-Y582 HydrophobicContact CB-CE2 4.14Å; L396-Y582 WeakPolarHBondContact CB-OH 3.5Å; L396-Y582 HydrophobicContact CD2-CD1 4.19Å; L396-Y582 HydrophobicContact CD2-CD2 4.47Å; L396-Y582 HydrophobicContact CD2-CE1 4.17Å; L396-Y582 HydrophobicContact CD2-CE2 4.46Å; L396-Y582 HydrophobicContact CD2-CG 4.34Å; L396-Y582 PolarHBondContact N-OH 3.25Å; C574-Y582 WeakPolarHBondContact CA-O 3.45Å; F575-Y582 HydrophobicContact CD2-CD2 4.23Å; F575-Y582 AromaticContact CE2-CD2 3.79Å; F575-Y582 HydrophobicContact CE2-CD2 3.79Å; F575-Y582 AromaticContact CE2-CG 3.87Å; F575-Y582 HydrophobicContact CE2-CG 3.87Å; F575-Y582 HydrophobicContact CZ-CG 4.19Å; F575-Y582 PolarHBondContact N-O 3.28Å; F575-Y582 PolarHBondContact O-N 3.37Å; I577-Y582 HydrophobicContact CB-CE2 4.22Å; I577-Y582 HydrophobicContact CG1-CD2 4.46Å; I577-Y582 HydrophobicContact CG1-CE2 4.49Å; V580-Y582 HydrophobicContact CB-CD2 4.48Å; V580-Y582 HydrophobicContact CB-CE2 3.77Å; V580-Y582 HydrophobicContact CG1-CD2 4.26Å; V580-Y582 HydrophobicContact CG1-CE1 4.19Å; V580-Y582 HydrophobicContact CG1-CE2 3.68Å; V580-Y582 WeakPolarHBondContact O-CD2 3.43Å; Y582-V594 HydrophobicContact CD1-CG1 3.83Å; Y582-V594 HydrophobicContact CG-CG1 4.33Å; Y582-A597 HydrophobicContact CD1-CB 3.78Å; Y582-A597 HydrophobicContact CE1-CB 3.94Å
583	A	96.6	Very high	94.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.4	177.4	0	0	0	0	0	111.2	L566 C574 V594 N595 Y596	L566-A583 HydrophobicContact CD1-CB 4.43Å; L566-A583 HydrophobicContact CD2-CB 3.7Å; C574-A583 VanDerWaalsContact SG-CB 3.54Å; A583-V594 CarbonylContact O-C 3.6Å; A583-V594 WeakPolarHBondContact O-CA 3.44Å; A583-N595 PolarHBondContact O-N 3.11Å; A583-Y596 HydrophobicContact CB-CD1 4.32Å; A583-Y596 PolarHBondContact N-O 3.49Å
584	V	95.6	Very high	94.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.2	170.8	178.5	0	0	0	0	108.3	Y571 G572 N573 F575 A592 E593 V594 F612 I622	Y571-V584 CarbonylContact C-O 3.59Å; Y571-V584 WeakPolarHBondContact CA-O 3.24Å; G572-V584 PolarHBondContact N-O 2.89Å; N573-V584 PolarHBondContact O-N 3.44Å; F575-V584 HydrophobicContact CE1-CG2 4.14Å; V584-A592 HydrophobicContact CG1-CB 3.91Å; V584-E593 WeakPolarHBondContact CA-O 3.44Å; V584-V594 HydrophobicContact CG2-CG2 4.2Å; V584-F612 HydrophobicContact CG1-CB 4.49Å; V584-F612 HydrophobicContact CG1-CD1 3.79Å; V584-F612 HydrophobicContact CG1-CE1 4.35Å; V584-F612 HydrophobicContact CG1-CG 4.29Å; V584-F612 HydrophobicContact CG2-CD1 4.21Å; V584-F612 HydrophobicContact CG2-CD2 4.49Å; V584-F612 HydrophobicContact CG2-CE1 4.4Å; V584-F612 HydrophobicContact CG2-CG 4.25Å; V584-I622 HydrophobicContact CB-CD1 4.13Å; V584-I622 HydrophobicContact CG2-CD1 3.71Å
585	D	92.2	Very high	94.9	Very high	47 Å²	47	35.1 Å²	35.1	25%	0.251	17%	0.171	S	C	.	.	S	Bend	trans	-71.4	-43.3	-169.2	74.1	-30.8	0	0	0	114.1	Y571 G572 A592 E593 N595	Y571-D585 CarbonylContact C-O 3.59Å; Y571-D585 WeakPolarHBondContact CA-O 3.5Å; G572-D585 PolarHBondContact N-O 3.33Å; D585-A592 WeakPolarHBondContact OD1-CA 3.48Å; D585-A592 WeakPolarHBondContact OD1-CB 3.29Å; D585-E593 PolarHBondContact N-O 3.49Å; D585-E593 PolarHBondContact OD1-N 2.86Å; D585-N595 HydrophobicContact CB-CB 4.05Å; D585-N595 WeakPolarHBondContact CB-ND2 3.44Å
586	V	90.7	Very high	94.9	Very high	26 Å²	26	36.1 Å²	36.1	16%	0.158	18%	0.175	C	C	.	.			trans	-128.9	135.2	-171.8	178.4	0	0	0	0	111.9	N588 Q589 A592 N614	V586-N588 WeakPolarHBondContact CG1-OD1 3.2Å; V586-Q589 HydrophobicContact CG1-CB 3.67Å; V586-Q589 HydrophobicContact CG1-CG 3.66Å; V586-A592 HydrophobicContact CB-CB 4.45Å; V586-N614 PolarHBondContact O-ND2 3.05Å; V586-N614 VanDerWaalsContact O-ND2 3.1Å
587	Y	89.3	Confident	94.9	Very high	57 Å²	57	36.1 Å²	36.1	22%	0.224	18%	0.175	C	C	.	.	S	Bend	trans	-103.5	-18.2	179.6	66.6	-79.3	0	0	0	114.1	R513 F618 T619	R513-Y587 WeakPolarHBondContact O-CE2 3.31Å; R513-Y587 VanDerWaalsContact O-CZ 3.23Å; R513-Y587 PolarHBondContact O-OH 2.86Å; Y587-F618 HydrophobicContact CD2-CD2 4.41Å; Y587-F618 HydrophobicContact CD2-CE2 4.11Å; Y587-F618 AromaticContact CE2-CE2 3.91Å; Y587-F618 HydrophobicContact CE2-CE2 3.91Å; Y587-F618 CarbonylContact O-C 3.58Å; Y587-F618 WeakPolarHBondContact O-CA 3.09Å; Y587-T619 PolarHBondContact O-N 2.97Å
588	N	90.3	Very high	94.9	Very high	83 Å²	83	36.8 Å²	36.8	44%	0.444	18%	0.177	S	C	.	.	S	Bend	trans	-117.8	22.4	-169.1	72.1	-27.4	0	0	0	114.5	V586 S617 F618	V586-N588 WeakPolarHBondContact CG1-OD1 3.2Å; N588-S617 CarbonylContact C-O 3.46Å; N588-S617 VanDerWaalsContact C-O 3.32Å; N588-S617 VanDerWaalsContact CA-O 3.28Å; N588-S617 WeakPolarHBondContact CA-O 3.3Å; N588-F618 HydrophobicContact CB-CD2 4.44Å
589	Q	92.6	Very high	95	Very high	114 Å²	114	36.7 Å²	36.7	53%	0.533	18%	0.176	S	C	.	.	S	Bend	trans	-137.6	152	176.4	-62.2	178.3	51.9	0	0	108.9	V586 N614	V586-Q589 HydrophobicContact CG1-CB 3.67Å; V586-Q589 HydrophobicContact CG1-CG 3.66Å; Q589-N614 WeakPolarHBondContact O-CB 3.41Å; Q589-N614 PolarHBondContact O-ND2 2.97Å
590	K	94.1	Very high	95	Very high	85 Å²	85	37 Å²	37	37%	0.37	18%	0.178	S	C	.	.	S	Bend	trans	-67.1	-45.9	-177.1	-179.2	160.8	-180	164.1	0	112.9	T613 N614 E615 S617	K590-T613 HydrophobicContact CG-CG2 4.26Å; K590-T613 CarbonylContact O-C 3.57Å; K590-T613 WeakPolarHBondContact O-CA 3.24Å; K590-N614 WeakPolarHBondContact CA-O 3.45Å; K590-N614 PolarHBondContact O-N 2.69Å; K590-E615 WeakPolarHBondContact CE-OE2 3.28Å; K590-E615 IonicContact NZ-OE1 3.41Å; K590-E615 PolarHBondContact NZ-OE1 3.37Å; K590-E615 IonicContact NZ-OE2 2.66Å; K590-E615 PolarHBondContact NZ-OE2 3.06Å; K590-S617 WeakPolarHBondContact CA-OG 3.44Å; K590-S617 WeakPolarHBondContact CB-OG 3.38Å; K590-S617 PolarHBondContact N-OG 3.38Å
591	E	95.3	Very high	94.8	Very high	164 Å²	164	42.4 Å²	42.4	77%	0.766	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	135	175.4	-69.4	163.1	-155.9	0	0	108.7
592	A	94.8	Very high	94.7	Very high	10 Å²	10	45.9 Å²	45.9	8%	0.083	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	167.3	179.5	0	0	0	0	0	109.7	V584 D585 V586 F612	V584-A592 HydrophobicContact CG1-CB 3.91Å; D585-A592 WeakPolarHBondContact OD1-CA 3.48Å; D585-A592 WeakPolarHBondContact OD1-CB 3.29Å; V586-A592 HydrophobicContact CB-CB 4.45Å; A592-F612 HydrophobicContact CB-CB 4.28Å; A592-F612 HydrophobicContact CB-CD1 4.4Å; A592-F612 PolarHBondContact N-O 2.91Å; A592-F612 VanDerWaalsContact N-O 3.16Å; A592-F612 PolarHBondContact O-N 3.22Å; A592-F612 VanDerWaalsContact O-O 3.06Å
593	E	96.1	Very high	94.5	Very high	80 Å²	80	50 Å²	50	37%	0.374	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.6	176.2	-70.7	-174	-167.8	0	0	111.7	V584 D585 N595 R609 L610	V584-E593 WeakPolarHBondContact CA-O 3.44Å; D585-E593 PolarHBondContact N-O 3.49Å; D585-E593 PolarHBondContact OD1-N 2.86Å; E593-N595 HydrophobicContact CB-CB 4.37Å; E593-N595 PolarHBondContact O-N 3.42Å; E593-R609 WeakPolarHBondContact OE2-CB 3.25Å; E593-L610 WeakPolarHBondContact CA-O 3.42Å
594	V	97.1	Very high	94.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	81.4	158	-173.7	0	0	0	0	107.6	I399 Y582 A583 V584 P608 R609 L610	I399-V594 HydrophobicContact CD1-CG2 3.65Å; Y582-V594 HydrophobicContact CD1-CG1 3.83Å; Y582-V594 HydrophobicContact CG-CG1 4.33Å; A583-V594 CarbonylContact O-C 3.6Å; A583-V594 WeakPolarHBondContact O-CA 3.44Å; V584-V594 HydrophobicContact CG2-CG2 4.2Å; V594-P608 HydrophobicContact CG1-CG 4.49Å; V594-R609 WeakPolarHBondContact O-CA 3.23Å; V594-R609 PolarHBondContact O-N 2.82Å; V594-L610 HydrophobicContact CB-CB 4.04Å; V594-L610 HydrophobicContact CG2-CB 4.18Å; V594-L610 PolarHBondContact N-O 2.94Å
595	N	95.9	Very high	94.4	Very high	50 Å²	50	57.5 Å²	57.5	27%	0.267	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-10.1	-169.6	80.4	-8.9	0	0	0	113.9	A583 D585 E593 I607	A583-N595 PolarHBondContact O-N 3.11Å; D585-N595 HydrophobicContact CB-CB 4.05Å; D585-N595 WeakPolarHBondContact CB-ND2 3.44Å; E593-N595 HydrophobicContact CB-CB 4.37Å; E593-N595 PolarHBondContact O-N 3.42Å; N595-I607 WeakPolarHBondContact O-CA 3.33Å; N595-I607 VanDerWaalsContact O-CG2 3.27Å; N595-I607 WeakPolarHBondContact O-CG2 3.35Å
596	Y	97	Very high	94.5	Very high	23 Å²	23	55.7 Å²	55.7	9%	0.09	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	140.4	-174.8	179.1	-88.1	0	0	0	111.3	T564 G565 L566 L581 A583 E605 A606	T564-Y596 WeakPolarHBondContact CB-OH 3.46Å; G565-Y596 PolarHBondContact N-OH 2.88Å; G565-Y596 VanDerWaalsContact N-OH 3.17Å; L566-Y596 HydrophobicContact CB-CD1 4.01Å; L566-Y596 HydrophobicContact CB-CE1 3.65Å; L566-Y596 HydrophobicContact CB-CE2 4.39Å; L566-Y596 HydrophobicContact CD1-CD1 4.16Å; L566-Y596 HydrophobicContact CD1-CG 4.16Å; L566-Y596 HydrophobicContact CD2-CD1 4.15Å; L566-Y596 HydrophobicContact CD2-CE1 4.37Å; L566-Y596 HydrophobicContact CG-CD1 4.34Å; L566-Y596 HydrophobicContact CG-CE1 4.44Å; L566-Y596 PolarHBondContact N-OH 2.77Å; L581-Y596 HydrophobicContact CD2-CE1 4.49Å; A583-Y596 HydrophobicContact CB-CD1 4.32Å; A583-Y596 PolarHBondContact N-O 3.49Å; Y596-E605 HydrophobicContact CE2-CB 4.32Å; Y596-E605 PolarHBondContact OH-OE1 2.83Å; Y596-E605 PolarHBondContact OH-OE2 2.78Å; Y596-A606 WeakPolarHBondContact CA-O 3.2Å
597	A	97.4	Very high	94.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149.2	168.6	0	0	0	0	0	112	L370 V580 L581 Y582 E605 A606 P608	L370-A597 HydrophobicContact CD1-CB 4.26Å; V580-A597 HydrophobicContact CG1-CB 4.28Å; L581-A597 CarbonylContact O-C 3.32Å; L581-A597 WeakPolarHBondContact O-CA 3.49Å; L581-A597 WeakPolarHBondContact O-CB 3.36Å; Y582-A597 HydrophobicContact CD1-CB 3.78Å; Y582-A597 HydrophobicContact CE1-CB 3.94Å; A597-E605 WeakPolarHBondContact O-CA 3.39Å; A597-A606 PolarHBondContact N-O 3.13Å; A597-A606 PolarHBondContact O-N 3.3Å; A597-P608 HydrophobicContact CB-CG 3.65Å
598	Y	97.4	Very high	95	Very high	15 Å²	15	58.1 Å²	58.1	6%	0.059	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	120.1	173.9	-176	-75.1	0	0	0	109.5	I546 Y562 R563 T564 V580 L581 T600 T604 E605	I546-Y598 HydrophobicContact CD1-CD1 3.97Å; Y562-Y598 HydrophobicContact CD1-CE1 4.37Å; Y562-Y598 HydrophobicContact CG-CE1 4.3Å; R563-Y598 VanDerWaalsContact O-CE2 3.23Å; R563-Y598 WeakPolarHBondContact O-CE2 3.33Å; R563-Y598 PolarHBondContact O-OH 2.81Å; T564-Y598 HydrophobicContact CG2-CD1 4.08Å; T564-Y598 HydrophobicContact CG2-CD2 3.54Å; T564-Y598 HydrophobicContact CG2-CE1 4.46Å; T564-Y598 HydrophobicContact CG2-CE2 3.97Å; T564-Y598 HydrophobicContact CG2-CG 3.62Å; V580-Y598 CarbonylContact C-O 3.41Å; V580-Y598 WeakPolarHBondContact CA-O 3.39Å; L581-Y598 PolarHBondContact N-O 3.25Å; L581-Y598 PolarHBondContact O-N 3.18Å; Y598-T600 HydrophobicContact CD1-CG2 4.2Å; Y598-T600 HydrophobicContact CE1-CG2 4.18Å; Y598-T604 WeakPolarHBondContact CA-O 3.4Å; Y598-E605 HydrophobicContact CD2-CG 3.67Å; Y598-E605 WeakPolarHBondContact CD2-OE1 3.47Å; Y598-E605 HydrophobicContact CE2-CG 4.09Å; Y598-E605 WeakPolarHBondContact CE2-OE1 3.45Å
599	D	95.9	Very high	95.3	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.032	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.2	177.2	170.6	29.7	0	0	0	111.3	V580 H601 T602 N603 T604	V580-D599 HydrophobicContact CG1-CB 4.49Å; V580-D599 HydrophobicContact CG2-CB 4.16Å; D599-H601 VanDerWaalsContact C-N 3.34Å; D599-H601 WeakPolarHBondContact OD1-CB 3.22Å; D599-H601 IonicContact OD1-CD2 3.13Å; D599-H601 PolarHBondContact OD1-CD2 3.13Å; D599-H601 IonicContact OD1-CG 3.62Å; D599-H601 PolarHBondContact OD1-N 3.34Å; D599-T602 VanDerWaalsContact OD2-CB 3.23Å; D599-T602 WeakPolarHBondContact OD2-CB 3.14Å; D599-T602 VanDerWaalsContact OD2-CG2 3.23Å; D599-T602 WeakPolarHBondContact OD2-CG2 3.4Å; D599-T602 PolarHBondContact OD2-N 3.27Å; D599-T602 PolarHBondContact OD2-OG1 2.8Å; D599-N603 WeakPolarHBondContact O-CA 3.37Å; D599-N603 PolarHBondContact O-N 2.95Å; D599-T604 PolarHBondContact N-O 3.34Å; D599-T604 PolarHBondContact O-N 3.08Å
600	T	95.1	Very high	95.4	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.043	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.9	178.1	62.6	0	0	0	0	114.3	W528 I546 Y562 G579 Y598	W528-T600 HydrophobicContact CH2-CG2 4.08Å; W528-T600 HydrophobicContact CZ3-CG2 4.23Å; I546-T600 HydrophobicContact CD1-CG2 3.54Å; I546-T600 HydrophobicContact CG1-CG2 4.22Å; Y562-T600 HydrophobicContact CD1-CG2 4.14Å; Y562-T600 HydrophobicContact CD2-CG2 3.48Å; Y562-T600 VanDerWaalsContact CD2-CG2 3.48Å; Y562-T600 HydrophobicContact CE1-CG2 4.34Å; Y562-T600 WeakPolarHBondContact CE1-O 3.29Å; Y562-T600 HydrophobicContact CE2-CG2 3.71Å; Y562-T600 HydrophobicContact CG-CG2 3.72Å; G579-T600 WeakPolarHBondContact O-CB 3.48Å; G579-T600 VanDerWaalsContact O-CG2 3.32Å; G579-T600 WeakPolarHBondContact O-CG2 3.2Å; G579-T600 PolarHBondContact O-N 3.12Å; G579-T600 PolarHBondContact O-OG1 2.87Å; Y598-T600 HydrophobicContact CD1-CG2 4.2Å; Y598-T600 HydrophobicContact CE1-CG2 4.18Å
601	H	93.1	Very high	95.6	Very high	118 Å²	118	58.5 Å²	58.5	55%	0.546	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-50.8	177.2	-54.6	-70.4	0	0	0	111.2	C578 D599	C578-H601 PolarHBondContact O-NE2 2.99Å; D599-H601 VanDerWaalsContact C-N 3.34Å; D599-H601 WeakPolarHBondContact OD1-CB 3.22Å; D599-H601 IonicContact OD1-CD2 3.13Å; D599-H601 PolarHBondContact OD1-CD2 3.13Å; D599-H601 IonicContact OD1-CG 3.62Å; D599-H601 PolarHBondContact OD1-N 3.34Å
602	T	93.8	Very high	95.6	Very high	72 Å²	72	50.9 Å²	50.9	44%	0.442	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-16.5	177.6	62.6	0	0	0	0	114	D599 T604	D599-T602 VanDerWaalsContact OD2-CB 3.23Å; D599-T602 WeakPolarHBondContact OD2-CB 3.14Å; D599-T602 VanDerWaalsContact OD2-CG2 3.23Å; D599-T602 WeakPolarHBondContact OD2-CG2 3.4Å; D599-T602 PolarHBondContact OD2-N 3.27Å; D599-T602 PolarHBondContact OD2-OG1 2.8Å; T602-T604 VanDerWaalsContact C-N 3.34Å; T602-T604 PolarHBondContact OG1-N 2.74Å; T602-T604 PolarHBondContact OG1-OG1 3.14Å
603	N	94.1	Very high	95.7	Very high	91 Å²	91	51.4 Å²	51.4	49%	0.487	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	41.6	-170.5	-57.5	-106.2	0	0	0	111.9	Y562 D599	Y562-N603 WeakPolarHBondContact CD1-OD1 3.42Å; D599-N603 WeakPolarHBondContact O-CA 3.37Å; D599-N603 PolarHBondContact O-N 2.95Å
604	T	94.8	Very high	95.6	Very high	61 Å²	61	47.6 Å²	47.6	37%	0.374	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	159.5	-178.8	68	0	0	0	0	112.9	Y598 D599 T602	Y598-T604 WeakPolarHBondContact CA-O 3.4Å; D599-T604 PolarHBondContact N-O 3.34Å; D599-T604 PolarHBondContact O-N 3.08Å; T602-T604 VanDerWaalsContact C-N 3.34Å; T602-T604 PolarHBondContact OG1-N 2.74Å; T602-T604 PolarHBondContact OG1-OG1 3.14Å
605	E	95.3	Very high	95.5	Very high	98 Å²	98	51.1 Å²	51.1	46%	0.458	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.3	-175.8	-48.3	-164.8	168.5	0	0	110.6	G565 Y596 A597 Y598	G565-E605 PolarHBondContact N-OE1 2.82Å; Y596-E605 HydrophobicContact CE2-CB 4.32Å; Y596-E605 PolarHBondContact OH-OE1 2.83Å; Y596-E605 PolarHBondContact OH-OE2 2.78Å; A597-E605 WeakPolarHBondContact O-CA 3.39Å; Y598-E605 HydrophobicContact CD2-CG 3.67Å; Y598-E605 WeakPolarHBondContact CD2-OE1 3.47Å; Y598-E605 HydrophobicContact CE2-CG 4.09Å; Y598-E605 WeakPolarHBondContact CE2-OE1 3.45Å
606	A	95.3	Very high	95.5	Very high	10 Å²	10	52.1 Å²	52.1	8%	0.083	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	166.8	179.3	0	0	0	0	0	111.9	L370 Y596 A597	L370-A606 HydrophobicContact CD1-CB 3.76Å; L370-A606 HydrophobicContact CD2-CB 3.96Å; L370-A606 HydrophobicContact CG-CB 3.78Å; Y596-A606 WeakPolarHBondContact CA-O 3.2Å; A597-A606 PolarHBondContact N-O 3.13Å; A597-A606 PolarHBondContact O-N 3.3Å
607	I	95.8	Very high	95.2	Very high	110 Å²	110	53 Å²	53	56%	0.564	27%	0.272	S	S	*	.			trans	-123.2	84.3	178.2	-60	177.9	0	0	0	106.8	N595 R609	N595-I607 WeakPolarHBondContact O-CA 3.33Å; N595-I607 VanDerWaalsContact O-CG2 3.27Å; N595-I607 WeakPolarHBondContact O-CG2 3.35Å; I607-R609 HydrophobicContact CG2-CG 3.91Å
608	P	94.4	Very high	95	Very high	23 Å²	23	55.6 Å²	55.6	15%	0.149	28%	0.283	C	S	.	.			trans	-67.4	-37.8	-168.9	-23.5	35.3	0	0	0	114.2	V594 A597 L610	V594-P608 HydrophobicContact CG1-CG 4.49Å; A597-P608 HydrophobicContact CB-CG 3.65Å; P608-L610 VanDerWaalsContact C-N 3.3Å; P608-L610 HydrophobicContact CB-CD2 4.42Å; P608-L610 HydrophobicContact CB-CG 3.91Å; P608-L610 PolarHBondContact O-N 2.61Å
609	R	95.5	Very high	94.8	Very high	167 Å²	167	55 Å²	55	63%	0.63	28%	0.281	S	S	*	.			trans	55.8	40.1	-174.4	-50.8	-168.9	-174.9	-153.1	-1.2	113.5	E593 V594 I607 P611	E593-R609 WeakPolarHBondContact OE2-CB 3.25Å; V594-R609 WeakPolarHBondContact O-CA 3.23Å; V594-R609 PolarHBondContact O-N 2.82Å; I607-R609 HydrophobicContact CG2-CG 3.91Å; R609-P611 WeakPolarHBondContact O-CD 3.16Å
610	L	96.3	Very high	94.7	Very high	25 Å²	25	54.7 Å²	54.7	13%	0.131	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	127.3	173.2	-51.3	-176.9	0	0	0	108.6	L396 A397 E593 V594 P608	L396-L610 HydrophobicContact CB-CD1 4.43Å; L396-L610 HydrophobicContact CD2-CD1 3.78Å; L396-L610 HydrophobicContact CG-CD1 3.71Å; A397-L610 WeakPolarHBondContact O-CD2 3.43Å; E593-L610 WeakPolarHBondContact CA-O 3.42Å; V594-L610 HydrophobicContact CB-CB 4.04Å; V594-L610 HydrophobicContact CG2-CB 4.18Å; V594-L610 PolarHBondContact N-O 2.94Å; P608-L610 VanDerWaalsContact C-N 3.3Å; P608-L610 HydrophobicContact CB-CD2 4.42Å; P608-L610 HydrophobicContact CB-CG 3.91Å; P608-L610 PolarHBondContact O-N 2.61Å
611	P	96.6	Very high	94.8	Very high	98 Å²	98	54.4 Å²	54.4	64%	0.636	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.5	142.1	176.5	-25.1	35.1	0	0	0	112.1	R609	R609-P611 WeakPolarHBondContact O-CD 3.16Å
612	F	96.9	Very high	94.9	Very high	5 Å²	5	48.8 Å²	48.8	2%	0.022	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151	175	-164.1	-105.1	0	0	0	109.9	I399 V584 A592 N614 I622 L631 Y642	I399-F612 HydrophobicContact CB-CD2 4.47Å; I399-F612 HydrophobicContact CD1-CD2 3.71Å; I399-F612 HydrophobicContact CD1-CE2 4.11Å; I399-F612 HydrophobicContact CG2-CD2 4.04Å; I399-F612 HydrophobicContact CG2-CE2 4.04Å; V584-F612 HydrophobicContact CG1-CB 4.49Å; V584-F612 HydrophobicContact CG1-CD1 3.79Å; V584-F612 HydrophobicContact CG1-CE1 4.35Å; V584-F612 HydrophobicContact CG1-CG 4.29Å; V584-F612 HydrophobicContact CG2-CD1 4.21Å; V584-F612 HydrophobicContact CG2-CD2 4.49Å; V584-F612 HydrophobicContact CG2-CE1 4.4Å; V584-F612 HydrophobicContact CG2-CG 4.25Å; A592-F612 HydrophobicContact CB-CB 4.28Å; A592-F612 HydrophobicContact CB-CD1 4.4Å; A592-F612 PolarHBondContact N-O 2.91Å; A592-F612 VanDerWaalsContact N-O 3.16Å; A592-F612 PolarHBondContact O-N 3.22Å; A592-F612 VanDerWaalsContact O-O 3.06Å; F612-N614 WeakPolarHBondContact CE1-OD1 3.19Å; F612-I622 HydrophobicContact CE1-CD1 3.58Å; F612-I622 HydrophobicContact CZ-CD1 3.58Å; F612-I622 HydrophobicContact CZ-CG1 4.3Å; F612-I622 HydrophobicContact CZ-CG2 4.42Å; F612-L631 HydrophobicContact CE2-CD1 4.28Å; F612-Y642 HydrophobicContact CD2-CE1 4.42Å; F612-Y642 HydrophobicContact CE1-CE1 4.35Å; F612-Y642 HydrophobicContact CE1-CE2 4.33Å; F612-Y642 AromaticContact CE1-CZ 3.87Å; F612-Y642 AromaticContact CE2-CD1 3.95Å; F612-Y642 HydrophobicContact CE2-CD1 3.95Å; F612-Y642 HydrophobicContact CE2-CD2 4.11Å; F612-Y642 AromaticContact CE2-CE1 3.8Å; F612-Y642 HydrophobicContact CE2-CE1 3.8Å; F612-Y642 AromaticContact CE2-CE2 3.97Å; F612-Y642 HydrophobicContact CE2-CE2 3.97Å; F612-Y642 HydrophobicContact CE2-CG 4.12Å; F612-Y642 AromaticContact CE2-CZ 3.82Å; F612-Y642 HydrophobicContact CZ-CD1 4.29Å; F612-Y642 HydrophobicContact CZ-CD2 4.02Å; F612-Y642 AromaticContact CZ-CE1 3.76Å; F612-Y642 HydrophobicContact CZ-CE1 3.76Å; F612-Y642 AromaticContact CZ-CE2 3.44Å; F612-Y642 HydrophobicContact CZ-CE2 3.44Å; F612-Y642 VanDerWaalsContact CZ-CE2 3.44Å; F612-Y642 HydrophobicContact CZ-CG 4.43Å; F612-Y642 AromaticContact CZ-CZ 3.31Å
613	T	96.4	Very high	95.1	Very high	20 Å²	20	45.9 Å²	45.9	12%	0.123	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	101	-174	-55.7	0	0	0	0	111.9	Q401 K590 E615 Y642	Q401-T613 PolarHBondContact NE2-OG1 2.76Å; K590-T613 HydrophobicContact CG-CG2 4.26Å; K590-T613 CarbonylContact O-C 3.57Å; K590-T613 WeakPolarHBondContact O-CA 3.24Å; T613-E615 PolarHBondContact O-N 3.46Å; T613-E615 VanDerWaalsContact O-N 3.1Å; T613-Y642 WeakPolarHBondContact O-CE1 3.13Å; T613-Y642 PolarHBondContact O-OH 3.03Å
614	N	94	Very high	95.3	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.212	C	C	.	.			trans	-79.1	81.7	171.1	-53.8	-59.1	0	0	0	109.4	V586 Q589 K590 F612 Y616 S617 T619 D635	V586-N614 PolarHBondContact O-ND2 3.05Å; V586-N614 VanDerWaalsContact O-ND2 3.1Å; Q589-N614 WeakPolarHBondContact O-CB 3.41Å; Q589-N614 PolarHBondContact O-ND2 2.97Å; K590-N614 WeakPolarHBondContact CA-O 3.45Å; K590-N614 PolarHBondContact O-N 2.69Å; F612-N614 WeakPolarHBondContact CE1-OD1 3.19Å; N614-Y616 PolarHBondContact O-N 3.4Å; N614-S617 WeakPolarHBondContact O-CA 3.42Å; N614-S617 PolarHBondContact O-N 2.92Å; N614-T619 VanDerWaalsContact CG-OG1 3.31Å; N614-T619 WeakPolarHBondContact OD1-CB 3.32Å; N614-T619 PolarHBondContact OD1-OG1 2.66Å; N614-D635 WeakPolarHBondContact CA-OD2 3.43Å
615	E	95.2	Very high	95.4	Very high	73 Å²	73	39.4 Å²	39.4	34%	0.341	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-34.1	-173	-177.4	55	-137.4	0	0	114.5	P402 K590 T613 D635	P402-E615 HydrophobicContact CG-CB 3.84Å; K590-E615 WeakPolarHBondContact CE-OE2 3.28Å; K590-E615 IonicContact NZ-OE1 3.41Å; K590-E615 PolarHBondContact NZ-OE1 3.37Å; K590-E615 IonicContact NZ-OE2 2.66Å; K590-E615 PolarHBondContact NZ-OE2 3.06Å; T613-E615 PolarHBondContact O-N 3.46Å; T613-E615 VanDerWaalsContact O-N 3.1Å; E615-D635 PolarHBondContact N-OD2 3.17Å; E615-D635 VanDerWaalsContact N-OD2 3.15Å
616	Y	94.6	Very high	95.4	Very high	71 Å²	71	35 Å²	35	28%	0.278	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	6.5	179	-49.7	-72.8	0	0	0	114.3	K404 N614 F618 D635 N636 N638 V640	K404-Y616 WeakPolarHBondContact CD-OH 3.42Å; K404-Y616 PolarHBondContact NZ-OH 3.04Å; N614-Y616 PolarHBondContact O-N 3.4Å; Y616-F618 VanDerWaalsContact C-N 3.28Å; Y616-F618 PolarHBondContact O-N 3.5Å; Y616-D635 VanDerWaalsContact C-OD1 3.22Å; Y616-D635 WeakPolarHBondContact CA-OD2 3.41Å; Y616-D635 WeakPolarHBondContact CB-OD1 3.38Å; Y616-D635 HydrophobicContact CD2-CB 4.26Å; Y616-D635 PolarHBondContact N-OD2 2.89Å; Y616-N636 PolarHBondContact O-ND2 3.33Å; Y616-N638 HydrophobicContact CD2-CB 3.55Å; Y616-N638 VanDerWaalsContact CD2-ND2 3.28Å; Y616-N638 WeakPolarHBondContact CD2-ND2 3.43Å; Y616-N638 HydrophobicContact CE2-CB 3.43Å; Y616-N638 VanDerWaalsContact CE2-CB 3.43Å; Y616-N638 VanDerWaalsContact CE2-CG 3.49Å; Y616-N638 HydrophobicContact CG-CB 4.39Å; Y616-N638 VanDerWaalsContact CG-ND2 3.26Å; Y616-V640 HydrophobicContact CD2-CG1 4.48Å; Y616-V640 HydrophobicContact CE2-CG1 4.04Å
617	S	92.1	Very high	95.3	Very high	43 Å²	43	38 Å²	38	30%	0.301	19%	0.187	S	C	.	.	S	Bend	trans	59.5	24	167.6	-52	0	0	0	0	116.3	N588 K590 N614 D635	N588-S617 CarbonylContact C-O 3.46Å; N588-S617 VanDerWaalsContact C-O 3.32Å; N588-S617 VanDerWaalsContact CA-O 3.28Å; N588-S617 WeakPolarHBondContact CA-O 3.3Å; K590-S617 WeakPolarHBondContact CA-OG 3.44Å; K590-S617 WeakPolarHBondContact CB-OG 3.38Å; K590-S617 PolarHBondContact N-OG 3.38Å; N614-S617 WeakPolarHBondContact O-CA 3.42Å; N614-S617 PolarHBondContact O-N 2.92Å; S617-D635 PolarHBondContact N-OD1 3.26Å; S617-D635 PolarHBondContact N-OD2 3.05Å
618	F	92.4	Very high	95.2	Very high	54 Å²	54	35 Å²	35	24%	0.237	17%	0.172	C	C	.	.			trans	-149.4	71.7	169.6	-165.6	-103.5	0	0	0	111	E412 W512 Y587 N588 Y616 T620 D635 N636	E412-F618 HydrophobicContact CG-CE1 4.24Å; W512-F618 HydrophobicContact CH2-CE1 4.23Å; W512-F618 HydrophobicContact CH2-CZ 4.39Å; W512-F618 HydrophobicContact CZ3-CE1 4.13Å; W512-F618 HydrophobicContact CZ3-CZ 4.06Å; Y587-F618 HydrophobicContact CD2-CD2 4.41Å; Y587-F618 HydrophobicContact CD2-CE2 4.11Å; Y587-F618 AromaticContact CE2-CE2 3.91Å; Y587-F618 HydrophobicContact CE2-CE2 3.91Å; Y587-F618 CarbonylContact O-C 3.58Å; Y587-F618 WeakPolarHBondContact O-CA 3.09Å; N588-F618 HydrophobicContact CB-CD2 4.44Å; Y616-F618 VanDerWaalsContact C-N 3.28Å; Y616-F618 PolarHBondContact O-N 3.5Å; F618-T620 HydrophobicContact CD1-CG2 3.6Å; F618-T620 HydrophobicContact CE1-CG2 3.55Å; F618-T620 WeakPolarHBondContact O-CG2 3.28Å; F618-D635 WeakPolarHBondContact CA-OD1 3.37Å; F618-D635 PolarHBondContact N-OD1 2.98Å; F618-D635 WeakPolarHBondContact O-CA 3.35Å; F618-N636 HydrophobicContact CB-CB 3.94Å; F618-N636 PolarHBondContact O-N 3.36Å
619	T	93.9	Very high	95.2	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	133.3	178.2	-63.7	0	0	0	0	111	Y587 N614 Q621 I622 D635	Y587-T619 PolarHBondContact O-N 2.97Å; N614-T619 VanDerWaalsContact CG-OG1 3.31Å; N614-T619 WeakPolarHBondContact OD1-CB 3.32Å; N614-T619 PolarHBondContact OD1-OG1 2.66Å; T619-Q621 WeakPolarHBondContact CG2-O 3.35Å; T619-I622 HydrophobicContact CG2-CD1 3.91Å; T619-I622 HydrophobicContact CG2-CG1 3.53Å; T619-D635 PolarHBondContact N-OD1 3.42Å
620	T	93.4	Very high	95.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	-11.2	-172.1	67.9	0	0	0	0	113.6	E412 G413 T464 W512 F618 W634	E412-T620 HydrophobicContact CB-CG2 4.33Å; G413-T620 PolarHBondContact O-OG1 3.12Å; T464-T620 VanDerWaalsContact CB-O 3.22Å; T464-T620 WeakPolarHBondContact CB-O 3.49Å; T464-T620 PolarHBondContact OG1-O 3.41Å; W512-T620 HydrophobicContact CH2-CG2 3.66Å; W512-T620 HydrophobicContact CZ2-CG2 4.41Å; F618-T620 HydrophobicContact CD1-CG2 3.6Å; F618-T620 HydrophobicContact CE1-CG2 3.55Å; F618-T620 WeakPolarHBondContact O-CG2 3.28Å; T620-W634 PolarHBondContact N-O 3.46Å; T620-W634 VanDerWaalsContact OG1-CD1 3.29Å; T620-W634 PolarHBondContact OG1-O 2.81Å
621	Q	95.9	Very high	95.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	137.7	-179.8	179.5	-146.6	4.6	0	0	107.6	A414 W415 T619 D623 A633 W634	A414-Q621 VanDerWaalsContact CA-OE1 3.27Å; A414-Q621 HydrophobicContact CB-CB 4.17Å; A414-Q621 VanDerWaalsContact CB-CD 3.48Å; A414-Q621 HydrophobicContact CB-CG 3.8Å; W415-Q621 VanDerWaalsContact CD1-OE1 3.32Å; W415-Q621 PolarHBondContact O-NE2 2.93Å; T619-Q621 WeakPolarHBondContact CG2-O 3.35Å; Q621-D623 VanDerWaalsContact CG-OD2 3.25Å; Q621-D623 WeakPolarHBondContact CG-OD2 3.22Å; Q621-D623 PolarHBondContact NE2-OD2 3.38Å; Q621-A633 WeakPolarHBondContact O-CA 3.36Å; Q621-A633 WeakPolarHBondContact O-CB 3.26Å; Q621-W634 HydrophobicContact CB-CB 3.96Å; Q621-W634 PolarHBondContact O-N 2.91Å
622	I	96.9	Very high	95.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	97.7	162.6	-51.2	175.9	0	0	0	107.3	N573 F575 V584 F612 T619 L631 A633	N573-I622 HydrophobicContact CB-CB 4.15Å; N573-I622 HydrophobicContact CB-CD1 3.73Å; N573-I622 HydrophobicContact CB-CG1 3.8Å; N573-I622 PolarHBondContact OD1-N 3.33Å; F575-I622 HydrophobicContact CD1-CB 4.43Å; F575-I622 HydrophobicContact CD1-CG2 3.69Å; F575-I622 HydrophobicContact CE1-CG2 4.2Å; F575-I622 HydrophobicContact CG-CG2 4.44Å; V584-I622 HydrophobicContact CB-CD1 4.13Å; V584-I622 HydrophobicContact CG2-CD1 3.71Å; F612-I622 HydrophobicContact CE1-CD1 3.58Å; F612-I622 HydrophobicContact CZ-CD1 3.58Å; F612-I622 HydrophobicContact CZ-CG1 4.3Å; F612-I622 HydrophobicContact CZ-CG2 4.42Å; T619-I622 HydrophobicContact CG2-CD1 3.91Å; T619-I622 HydrophobicContact CG2-CG1 3.53Å; I622-L631 HydrophobicContact CG2-CB 4.15Å; I622-L631 HydrophobicContact CG2-CD1 4.16Å; I622-L631 HydrophobicContact CG2-CD2 4.27Å; I622-L631 HydrophobicContact CG2-CG 4.43Å; I622-A633 HydrophobicContact CG1-CB 4.37Å
623	D	97	Very high	95.4	Very high	10 Å²	10	25.5 Å²	25.5	5%	0.053	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135.3	179	-73.8	-49	0	0	0	111.1	Q621 L631 Y632	Q621-D623 VanDerWaalsContact CG-OD2 3.25Å; Q621-D623 WeakPolarHBondContact CG-OD2 3.22Å; Q621-D623 PolarHBondContact NE2-OD2 3.38Å; D623-L631 CarbonylContact O-C 3.57Å; D623-L631 WeakPolarHBondContact O-CA 3.12Å; D623-Y632 PolarHBondContact N-O 3.3Å; D623-Y632 PolarHBondContact O-N 3.5Å
624	Y	97.9	Very high	95.5	Very high	10 Å²	10	24.6 Å²	24.6	4%	0.039	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	148.9	172.8	178.4	-119.3	0	0	0	112.2	E524 I576 I577 P626 L631 V644	E524-Y624 WeakPolarHBondContact OE1-CE1 3.27Å; E524-Y624 VanDerWaalsContact OE1-CZ 3.31Å; E524-Y624 PolarHBondContact OE1-OH 3.39Å; I576-Y624 WeakPolarHBondContact O-CD1 3.4Å; I577-Y624 HydrophobicContact CB-CD1 4.29Å; I577-Y624 HydrophobicContact CB-CE1 4.2Å; I577-Y624 HydrophobicContact CD1-CD2 3.88Å; I577-Y624 HydrophobicContact CD1-CE2 4.02Å; I577-Y624 HydrophobicContact CD1-CG 4.21Å; I577-Y624 HydrophobicContact CG1-CD1 3.82Å; I577-Y624 HydrophobicContact CG1-CD2 3.94Å; I577-Y624 HydrophobicContact CG1-CE1 4.07Å; I577-Y624 HydrophobicContact CG1-CE2 4.21Å; I577-Y624 HydrophobicContact CG1-CG 3.74Å; I577-Y624 HydrophobicContact CG2-CD1 4.31Å; I577-Y624 HydrophobicContact CG2-CE1 3.72Å; I577-Y624 HydrophobicContact CG2-CE2 4.38Å; Y624-P626 HydrophobicContact CD1-CB 4.37Å; Y624-P626 HydrophobicContact CE1-CB 3.68Å; Y624-P626 HydrophobicContact CE1-CG 4.49Å; Y624-L631 HydrophobicContact CD2-CD2 4.08Å; Y624-L631 HydrophobicContact CG-CD2 4.44Å; Y624-V644 HydrophobicContact CE2-CG2 4.08Å
625	N	96.9	Very high	95.6	Very high	6 Å²	6	24.5 Å²	24.5	3%	0.032	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	106.9	170.8	-169.5	-75	0	0	0	111.4	K417 K627 D628 K629 L630 Y632	K417-N625 PolarHBondContact O-ND2 2.7Å; K417-N625 VanDerWaalsContact O-ND2 3.14Å; N625-K627 PolarHBondContact O-N 2.96Å; N625-K627 WeakPolarHBondContact OD1-CB 3.44Å; N625-K627 PolarHBondContact OD1-N 3.3Å; N625-K627 VanDerWaalsContact OD1-N 3.16Å; N625-D628 PolarHBondContact O-N 3.3Å; N625-D628 PolarHBondContact OD1-N 3.1Å; N625-D628 VanDerWaalsContact OD1-N 3.09Å; N625-K629 WeakPolarHBondContact O-CA 3.21Å; N625-K629 PolarHBondContact O-N 2.72Å; N625-L630 PolarHBondContact N-O 2.8Å; N625-Y632 HydrophobicContact CB-CD2 3.76Å; N625-Y632 HydrophobicContact CB-CE2 3.65Å
626	P	95.4	Very high	95.5	Very high	6 Å²	6	23.9 Å²	23.9	4%	0.039	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-5.1	-174.8	30.5	-39.2	0	0	0	115	L390 P419 V522 E524 Y624	L390-P626 HydrophobicContact CD1-CB 3.84Å; L390-P626 HydrophobicContact CD1-CG 3.74Å; P419-P626 HydrophobicContact CB-CG 3.91Å; P419-P626 HydrophobicContact CG-CG 4.15Å; V522-P626 HydrophobicContact CG1-CG 4.25Å; E524-P626 HydrophobicContact CG-CB 4.11Å; E524-P626 WeakPolarHBondContact OE1-CB 3.06Å; Y624-P626 HydrophobicContact CD1-CB 4.37Å; Y624-P626 HydrophobicContact CE1-CB 3.68Å; Y624-P626 HydrophobicContact CE1-CG 4.49Å
627	K	93.9	Very high	95.6	Very high	73 Å²	73	20.8 Å²	20.8	32%	0.317	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-43.6	173.8	171	-167.7	166.8	-177.2	0	111.2	P419 A421 D423 N625	P419-K627 HydrophobicContact CB-CB 3.7Å; P419-K627 WeakPolarHBondContact O-CB 3.4Å; P419-K627 WeakPolarHBondContact O-CD 3.48Å; A421-K627 PolarHBondContact O-NZ 2.84Å; D423-K627 PolarHBondContact O-NZ 3.32Å; N625-K627 PolarHBondContact O-N 2.96Å; N625-K627 WeakPolarHBondContact OD1-CB 3.44Å; N625-K627 PolarHBondContact OD1-N 3.3Å; N625-K627 VanDerWaalsContact OD1-N 3.16Å
628	D	93.3	Very high	95.8	Very high	48 Å²	48	19.5 Å²	19.5	26%	0.257	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-17.5	-177.7	-68.7	1	0	0	0	112.6	K417 N625 L630 Y632	K417-D628 WeakPolarHBondContact CD-OD2 3.26Å; K417-D628 WeakPolarHBondContact CE-OD2 3.35Å; K417-D628 IonicContact NZ-OD2 3.1Å; K417-D628 PolarHBondContact NZ-OD2 2.72Å; N625-D628 PolarHBondContact O-N 3.3Å; N625-D628 PolarHBondContact OD1-N 3.1Å; N625-D628 VanDerWaalsContact OD1-N 3.09Å; D628-L630 HydrophobicContact CB-CD1 4.36Å; D628-L630 HydrophobicContact CB-CG 4.33Å; D628-Y632 PolarHBondContact OD2-OH 2.77Å
629	K	94.1	Very high	96	Very high	72 Å²	72	16.9 Å²	16.9	31%	0.313	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	47.4	-173.8	-52.6	176.1	-165.9	162.9	0	113.2	E393 N625 V644	E393-K629 VanDerWaalsContact CD-CE 3.49Å; E393-K629 IonicContact OE1-NZ 2.71Å; E393-K629 PolarHBondContact OE1-NZ 3.41Å; E393-K629 WeakPolarHBondContact OE2-CD 3.47Å; E393-K629 WeakPolarHBondContact OE2-CE 3.48Å; E393-K629 IonicContact OE2-NZ 3.01Å; E393-K629 PolarHBondContact OE2-NZ 2.88Å; N625-K629 WeakPolarHBondContact O-CA 3.21Å; N625-K629 PolarHBondContact O-N 2.72Å; K629-V644 WeakPolarHBondContact O-CG2 3.29Å
630	L	96.7	Very high	96.2	Very high	39 Å²	39	16.9 Å²	16.9	20%	0.204	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.8	177.6	-59.8	176	0	0	0	109.8	N625 D628 Y632 T641 Y642 Q643	N625-L630 PolarHBondContact N-O 2.8Å; D628-L630 HydrophobicContact CB-CD1 4.36Å; D628-L630 HydrophobicContact CB-CG 4.33Å; L630-Y632 HydrophobicContact CB-CD2 4.4Å; L630-Y632 HydrophobicContact CB-CE2 4.07Å; L630-T641 HydrophobicContact CD1-CG2 4.2Å; L630-Y642 WeakPolarHBondContact CA-O 3.48Å; L630-Q643 HydrophobicContact CD2-CB 4.2Å
631	L	98.1	Very high	96.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122.9	161.6	-59.7	171.7	0	0	0	108.7	I399 F575 F612 I622 D623 Y624 T641 Y642 V644	I399-L631 HydrophobicContact CD1-CD1 3.98Å; I399-L631 HydrophobicContact CG1-CD1 4.49Å; I399-L631 HydrophobicContact CG2-CD1 4.2Å; F575-L631 HydrophobicContact CB-CD2 4.31Å; F575-L631 HydrophobicContact CD1-CD2 4.15Å; F575-L631 HydrophobicContact CD2-CD2 3.65Å; F575-L631 HydrophobicContact CE1-CD1 4.04Å; F575-L631 HydrophobicContact CE1-CD2 4.38Å; F575-L631 HydrophobicContact CE2-CD1 4.31Å; F575-L631 HydrophobicContact CE2-CD2 3.9Å; F575-L631 HydrophobicContact CG-CD2 3.78Å; F575-L631 HydrophobicContact CZ-CD1 3.93Å; F575-L631 HydrophobicContact CZ-CD2 4.26Å; F612-L631 HydrophobicContact CE2-CD1 4.28Å; I622-L631 HydrophobicContact CG2-CB 4.15Å; I622-L631 HydrophobicContact CG2-CD1 4.16Å; I622-L631 HydrophobicContact CG2-CD2 4.27Å; I622-L631 HydrophobicContact CG2-CG 4.43Å; D623-L631 CarbonylContact O-C 3.57Å; D623-L631 WeakPolarHBondContact O-CA 3.12Å; Y624-L631 HydrophobicContact CD2-CD2 4.08Å; Y624-L631 HydrophobicContact CG-CD2 4.44Å; L631-T641 VanDerWaalsContact O-CA 3.31Å; L631-T641 WeakPolarHBondContact O-CA 3.47Å; L631-Y642 HydrophobicContact CB-CD2 4.11Å; L631-Y642 PolarHBondContact N-O 3.15Å; L631-Y642 PolarHBondContact O-N 2.8Å; L631-V644 HydrophobicContact CD1-CG1 3.83Å; L631-V644 HydrophobicContact CG-CG1 3.76Å
632	Y	98.1	Very high	96.6	Very high	7 Å²	7	17.1 Å²	17.1	3%	0.027	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.5	173.2	-80.2	-103.9	0	0	0	109	W415 K417 D623 N625 D628 L630 T641	W415-Y632 AromaticContact CD2-CD1 3.86Å; W415-Y632 HydrophobicContact CD2-CD1 3.86Å; W415-Y632 HydrophobicContact CD2-CE1 4.45Å; W415-Y632 AromaticContact CE2-CD1 3.62Å; W415-Y632 AromaticContact CE3-CD1 3.94Å; W415-Y632 HydrophobicContact CE3-CD1 3.94Å; W415-Y632 HydrophobicContact CE3-CE1 4.07Å; W415-Y632 AromaticContact CH2-CD1 3.51Å; W415-Y632 HydrophobicContact CH2-CD1 3.51Å; W415-Y632 AromaticContact CH2-CE1 3.39Å; W415-Y632 HydrophobicContact CH2-CE1 3.39Å; W415-Y632 AromaticContact CZ2-CD1 3.45Å; W415-Y632 HydrophobicContact CZ2-CD1 3.45Å; W415-Y632 VanDerWaalsContact CZ2-CD1 3.45Å; W415-Y632 AromaticContact CZ2-CE1 3.86Å; W415-Y632 HydrophobicContact CZ2-CE1 3.86Å; W415-Y632 HydrophobicContact CZ2-CG 4.29Å; W415-Y632 AromaticContact CZ3-CD1 3.79Å; W415-Y632 HydrophobicContact CZ3-CD1 3.79Å; W415-Y632 AromaticContact CZ3-CE1 3.54Å; W415-Y632 HydrophobicContact CZ3-CE1 3.54Å; K417-Y632 WeakPolarHBondContact CD-OH 3.5Å; K417-Y632 WeakPolarHBondContact CE-OH 3.28Å; K417-Y632 HydrophobicContact CG-CE1 4.17Å; K417-Y632 PolarHBondContact NZ-OH 3.47Å; D623-Y632 PolarHBondContact N-O 3.3Å; D623-Y632 PolarHBondContact O-N 3.5Å; N625-Y632 HydrophobicContact CB-CD2 3.76Å; N625-Y632 HydrophobicContact CB-CE2 3.65Å; D628-Y632 PolarHBondContact OD2-OH 2.77Å; L630-Y632 HydrophobicContact CB-CD2 4.4Å; L630-Y632 HydrophobicContact CB-CE2 4.07Å; Y632-T641 HydrophobicContact CE1-CG2 4.39Å
633	A	97.4	Very high	96.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154.1	-176.1	0	0	0	0	0	113.9	W415 Q621 I622 V640 Y642	W415-A633 PolarHBondContact NE1-O 2.77Å; Q621-A633 WeakPolarHBondContact O-CA 3.36Å; Q621-A633 WeakPolarHBondContact O-CB 3.26Å; I622-A633 HydrophobicContact CG1-CB 4.37Å; A633-V640 HydrophobicContact CB-CG2 3.86Å; A633-V640 PolarHBondContact N-O 2.76Å; A633-V640 PolarHBondContact O-N 2.78Å; A633-Y642 HydrophobicContact CB-CD2 4.26Å; A633-Y642 HydrophobicContact CB-CE2 3.64Å
634	W	97.2	Very high	96.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	101.8	179.1	-168.9	-65.4	0	0	0	110	Y408 R410 N411 E412 G413 W415 V428 T620 Q621 Q639	Y408-W634 WeakPolarHBondContact O-CH2 3.14Å; Y408-W634 VanDerWaalsContact O-CZ2 3.24Å; Y408-W634 WeakPolarHBondContact O-CZ2 3.21Å; R410-W634 WeakPolarHBondContact O-CZ2 3.42Å; R410-W634 PolarHBondContact O-NE1 2.78Å; R410-W634 VanDerWaalsContact O-NE1 3.1Å; N411-W634 VanDerWaalsContact O-CD1 3.24Å; N411-W634 PolarHBondContact O-NE1 3.25Å; N411-W634 VanDerWaalsContact O-NE1 3.07Å; E412-W634 VanDerWaalsContact C-NE1 3.33Å; G413-W634 VanDerWaalsContact C-CD2 3.48Å; G413-W634 WeakPolarHBondContact O-CB 3.48Å; W415-W634 HydrophobicContact CB-CE3 4.09Å; W415-W634 HydrophobicContact CB-CZ3 4.14Å; W415-W634 HydrophobicContact CG-CE3 4.35Å; V428-W634 HydrophobicContact CG1-CH2 4.01Å; V428-W634 HydrophobicContact CG1-CZ3 3.88Å; T620-W634 PolarHBondContact N-O 3.46Å; T620-W634 VanDerWaalsContact OG1-CD1 3.29Å; T620-W634 PolarHBondContact OG1-O 2.81Å; Q621-W634 HydrophobicContact CB-CB 3.96Å; Q621-W634 PolarHBondContact O-N 2.91Å; W634-Q639 HydrophobicContact CD2-CG 4.26Å; W634-Q639 VanDerWaalsContact CE2-NE2 3.32Å; W634-Q639 HydrophobicContact CE3-CG 3.67Å; W634-Q639 VanDerWaalsContact CE3-NE2 3.34Å; W634-Q639 HydrophobicContact CZ3-CG 3.86Å
635	D	96.1	Very high	96.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	108.5	-175.4	-175.4	3.9	0	0	0	110.3	N614 E615 Y616 S617 F618 T619 G637 N638	N614-D635 WeakPolarHBondContact CA-OD2 3.43Å; E615-D635 PolarHBondContact N-OD2 3.17Å; E615-D635 VanDerWaalsContact N-OD2 3.15Å; Y616-D635 VanDerWaalsContact C-OD1 3.22Å; Y616-D635 WeakPolarHBondContact CA-OD2 3.41Å; Y616-D635 WeakPolarHBondContact CB-OD1 3.38Å; Y616-D635 HydrophobicContact CD2-CB 4.26Å; Y616-D635 PolarHBondContact N-OD2 2.89Å; S617-D635 PolarHBondContact N-OD1 3.26Å; S617-D635 PolarHBondContact N-OD2 3.05Å; F618-D635 WeakPolarHBondContact CA-OD1 3.37Å; F618-D635 PolarHBondContact N-OD1 2.98Å; F618-D635 WeakPolarHBondContact O-CA 3.35Å; T619-D635 PolarHBondContact N-OD1 3.42Å; D635-G637 VanDerWaalsContact C-N 3.26Å; D635-G637 PolarHBondContact O-N 3.46Å; D635-G637 VanDerWaalsContact O-N 3.12Å; D635-N638 PolarHBondContact N-O 3.33Å; D635-N638 VanDerWaalsContact O-CB 3.27Å; D635-N638 WeakPolarHBondContact O-CB 3.37Å; D635-N638 PolarHBondContact O-N 3.22Å; D635-N638 PolarHBondContact O-ND2 3.12Å
636	N	94.7	Very high	96.2	Very high	59 Å²	59	24.6 Å²	24.6	32%	0.316	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	39.1	175.9	-149.4	-6.7	0	0	0	114.8	N411 Y616 F618 N638	N411-N636 PolarHBondContact ND2-OD1 2.79Å; N411-N636 CarbonylContact O-C 3.46Å; Y616-N636 PolarHBondContact O-ND2 3.33Å; F618-N636 HydrophobicContact CB-CB 3.94Å; F618-N636 PolarHBondContact O-N 3.36Å; N636-N638 PolarHBondContact O-ND2 3.06Å
637	G	95.1	Very high	95.9	Very high	6 Å²	6	27.6 Å²	27.6	6%	0.062	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	13.7	-178.8	0	0	0	0	0	115	S407 R410 N411 D635	S407-G637 WeakPolarHBondContact CA-O 3.03Å; S407-G637 WeakPolarHBondContact CB-O 3.45Å; S407-G637 PolarHBondContact OG-O 3.22Å; R410-G637 WeakPolarHBondContact O-CA 3.49Å; N411-G637 PolarHBondContact O-N 2.91Å; D635-G637 VanDerWaalsContact C-N 3.26Å; D635-G637 PolarHBondContact O-N 3.46Å; D635-G637 VanDerWaalsContact O-N 3.12Å
638	N	97.4	Very high	94.8	Very high	16 Å²	16	33.1 Å²	33.1	9%	0.086	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.4	173.6	-49.7	-86.2	0	0	0	108.5	K404 Y616 D635 N636 V640	K404-N638 VanDerWaalsContact CE-OD1 3.23Å; K404-N638 WeakPolarHBondContact CE-OD1 3.38Å; K404-N638 PolarHBondContact NZ-OD1 3.22Å; Y616-N638 HydrophobicContact CD2-CB 3.55Å; Y616-N638 VanDerWaalsContact CD2-ND2 3.28Å; Y616-N638 WeakPolarHBondContact CD2-ND2 3.43Å; Y616-N638 HydrophobicContact CE2-CB 3.43Å; Y616-N638 VanDerWaalsContact CE2-CB 3.43Å; Y616-N638 VanDerWaalsContact CE2-CG 3.49Å; Y616-N638 HydrophobicContact CG-CB 4.39Å; Y616-N638 VanDerWaalsContact CG-ND2 3.26Å; D635-N638 PolarHBondContact N-O 3.33Å; D635-N638 VanDerWaalsContact O-CB 3.27Å; D635-N638 WeakPolarHBondContact O-CB 3.37Å; D635-N638 PolarHBondContact O-N 3.22Å; D635-N638 PolarHBondContact O-ND2 3.12Å; N636-N638 PolarHBondContact O-ND2 3.06Å; N638-V640 HydrophobicContact CB-CG1 4.24Å
639	Q	97.6	Very high	92.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	114.1	175.4	-68.7	82.5	37.3	0	0	108	Q405 H406 Y408 W415 F446 W634	Q405-Q639 WeakPolarHBondContact CA-O 3.5Å; Q405-Q639 WeakPolarHBondContact CB-O 3.49Å; Q405-Q639 PolarHBondContact N-O 2.97Å; H406-Q639 PolarHBondContact N-O 3.07Å; H406-Q639 PolarHBondContact O-N 3.05Å; Y408-Q639 PolarHBondContact O-NE2 3.27Å; W415-Q639 HydrophobicContact CB-CG 4.22Å; W415-Q639 HydrophobicContact CD2-CB 3.77Å; W415-Q639 HydrophobicContact CD2-CG 3.96Å; W415-Q639 HydrophobicContact CE3-CB 4.34Å; W415-Q639 HydrophobicContact CG-CB 4.01Å; W415-Q639 HydrophobicContact CG-CG 3.67Å; W415-Q639 HydrophobicContact CZ2-CB 4.15Å; F446-Q639 HydrophobicContact CE1-CB 4.01Å; F446-Q639 HydrophobicContact CE1-CG 4.4Å; F446-Q639 HydrophobicContact CZ-CB 3.85Å; F446-Q639 HydrophobicContact CZ-CG 3.74Å; W634-Q639 HydrophobicContact CD2-CG 4.26Å; W634-Q639 VanDerWaalsContact CE2-NE2 3.32Å; W634-Q639 HydrophobicContact CE3-CG 3.67Å; W634-Q639 VanDerWaalsContact CE3-NE2 3.34Å; W634-Q639 HydrophobicContact CZ3-CG 3.86Å
640	V	97.6	Very high	92.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.5	-172.8	-51.6	0	0	0	0	110.7	P402 E403 W415 Y616 A633 N638 Y642	P402-V640 HydrophobicContact CB-CB 4.05Å; P402-V640 HydrophobicContact CB-CG2 4.12Å; E403-V640 CarbonylContact O-C 3.56Å; E403-V640 VanDerWaalsContact O-CA 3.27Å; E403-V640 WeakPolarHBondContact O-CA 3.32Å; W415-V640 WeakPolarHBondContact CZ2-O 3.45Å; Y616-V640 HydrophobicContact CD2-CG1 4.48Å; Y616-V640 HydrophobicContact CE2-CG1 4.04Å; A633-V640 HydrophobicContact CB-CG2 3.86Å; A633-V640 PolarHBondContact N-O 2.76Å; A633-V640 PolarHBondContact O-N 2.78Å; N638-V640 HydrophobicContact CB-CG1 4.24Å; V640-Y642 HydrophobicContact CG2-CE2 3.82Å
641	T	98.1	Very high	92.6	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.037	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135	173.6	44.5	0	0	0	0	110.3	E403 Q405 W415 L630 L631 Y632	E403-T641 PolarHBondContact N-O 2.93Å; E403-T641 PolarHBondContact O-N 3.39Å; E403-T641 PolarHBondContact O-OG1 3.25Å; Q405-T641 HydrophobicContact CG-CG2 3.91Å; Q405-T641 PolarHBondContact NE2-OG1 2.98Å; W415-T641 HydrophobicContact CH2-CG2 3.64Å; W415-T641 HydrophobicContact CZ2-CG2 3.64Å; L630-T641 HydrophobicContact CD1-CG2 4.2Å; L631-T641 VanDerWaalsContact O-CA 3.31Å; L631-T641 WeakPolarHBondContact O-CA 3.47Å; Y632-T641 HydrophobicContact CE1-CG2 4.39Å
642	Y	98.1	Very high	92.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.6	168.1	-51.4	-102.1	0	0	0	109.2	I399 E400 P402 F612 T613 L630 L631 A633 V640	I399-Y642 HydrophobicContact CG2-CD1 3.95Å; I399-Y642 HydrophobicContact CG2-CG 4.03Å; E400-Y642 WeakPolarHBondContact O-CD1 3.27Å; P402-Y642 HydrophobicContact CB-CD1 3.95Å; P402-Y642 HydrophobicContact CB-CE1 3.53Å; P402-Y642 HydrophobicContact CB-CE2 4.48Å; P402-Y642 HydrophobicContact CG-CE1 3.85Å; F612-Y642 HydrophobicContact CD2-CE1 4.42Å; F612-Y642 HydrophobicContact CE1-CE1 4.35Å; F612-Y642 HydrophobicContact CE1-CE2 4.33Å; F612-Y642 AromaticContact CE1-CZ 3.87Å; F612-Y642 AromaticContact CE2-CD1 3.95Å; F612-Y642 HydrophobicContact CE2-CD1 3.95Å; F612-Y642 HydrophobicContact CE2-CD2 4.11Å; F612-Y642 AromaticContact CE2-CE1 3.8Å; F612-Y642 HydrophobicContact CE2-CE1 3.8Å; F612-Y642 AromaticContact CE2-CE2 3.97Å; F612-Y642 HydrophobicContact CE2-CE2 3.97Å; F612-Y642 HydrophobicContact CE2-CG 4.12Å; F612-Y642 AromaticContact CE2-CZ 3.82Å; F612-Y642 HydrophobicContact CZ-CD1 4.29Å; F612-Y642 HydrophobicContact CZ-CD2 4.02Å; F612-Y642 AromaticContact CZ-CE1 3.76Å; F612-Y642 HydrophobicContact CZ-CE1 3.76Å; F612-Y642 AromaticContact CZ-CE2 3.44Å; F612-Y642 HydrophobicContact CZ-CE2 3.44Å; F612-Y642 VanDerWaalsContact CZ-CE2 3.44Å; F612-Y642 HydrophobicContact CZ-CG 4.43Å; F612-Y642 AromaticContact CZ-CZ 3.31Å; T613-Y642 WeakPolarHBondContact O-CE1 3.13Å; T613-Y642 PolarHBondContact O-OH 3.03Å; L630-Y642 WeakPolarHBondContact CA-O 3.48Å; L631-Y642 HydrophobicContact CB-CD2 4.11Å; L631-Y642 PolarHBondContact N-O 3.15Å; L631-Y642 PolarHBondContact O-N 2.8Å; A633-Y642 HydrophobicContact CB-CD2 4.26Å; A633-Y642 HydrophobicContact CB-CE2 3.64Å; V640-Y642 HydrophobicContact CG2-CE2 3.82Å
643	Q	97.2	Very high	91.9	Very high	94 Å²	94	44.2 Å²	44.2	44%	0.439	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	138.8	164.7	-178.2	169.8	-49.8	0	0	109.1	E400 L630 N645	E400-Q643 HydrophobicContact CB-CB 4.16Å; E400-Q643 HydrophobicContact CG-CB 4.11Å; E400-Q643 HydrophobicContact CG-CG 4.46Å; E400-Q643 PolarHBondContact N-O 2.97Å; E400-Q643 PolarHBondContact OE1-NE2 3.47Å; E400-Q643 VanDerWaalsContact OE1-NE2 3.09Å; L630-Q643 HydrophobicContact CD2-CB 4.2Å; Q643-N645 PolarHBondContact NE2-OD1 3.08Å
644	V	96.1	Very high	91.6	Very high	8 Å²	8	47 Å²	47	5%	0.048	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.6	173.9	-68.6	0	0	0	0	109.7	L396 I399 Y624 K629 L631 F646	L396-V644 HydrophobicContact CD1-CB 3.64Å; L396-V644 HydrophobicContact CD1-CG1 3.84Å; I399-V644 HydrophobicContact CG1-CG1 4.31Å; Y624-V644 HydrophobicContact CE2-CG2 4.08Å; K629-V644 WeakPolarHBondContact O-CG2 3.29Å; L631-V644 HydrophobicContact CD1-CG1 3.83Å; L631-V644 HydrophobicContact CG-CG1 3.76Å; V644-F646 HydrophobicContact CG2-CE2 4.21Å; V644-F646 HydrophobicContact CG2-CZ 4.25Å
645	N	94.9	Very high	91.2	Very high	51 Å²	51	50.1 Å²	50.1	27%	0.273	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.9	176.8	-60.3	-50.5	0	0	0	109.3	A397 S398 E400 Q643	A397-N645 WeakPolarHBondContact CA-O 3.47Å; A397-N645 WeakPolarHBondContact CB-O 3.44Å; A397-N645 PolarHBondContact N-O 2.99Å; S398-N645 PolarHBondContact N-O 2.98Å; S398-N645 VanDerWaalsContact N-O 3.14Å; S398-N645 PolarHBondContact O-N 3.28Å; E400-N645 WeakPolarHBondContact CG-ND2 3.45Å; E400-N645 PolarHBondContact OE1-ND2 3.18Å; Q643-N645 PolarHBondContact NE2-OD1 3.08Å
646	F	93.7	Very high	90.8	Very high	31 Å²	31	53.7 Å²	53.7	14%	0.136	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	165.2	-177.5	-63.5	-85.7	0	0	0	111.5	E393 G394 T395 A397 I577 V644	E393-F646 HydrophobicContact CB-CB 4.4Å; E393-F646 HydrophobicContact CB-CD1 4.33Å; E393-F646 HydrophobicContact CB-CD2 3.8Å; E393-F646 HydrophobicContact CB-CE2 4.15Å; E393-F646 HydrophobicContact CB-CG 3.91Å; E393-F646 VanDerWaalsContact O-CB 3.27Å; E393-F646 WeakPolarHBondContact O-CB 3.45Å; G394-F646 WeakPolarHBondContact O-CD1 3.2Å; T395-F646 WeakPolarHBondContact O-CA 3.4Å; A397-F646 VanDerWaalsContact CB-C 3.49Å; I577-F646 HydrophobicContact CG2-CE1 3.77Å; I577-F646 HydrophobicContact CG2-CZ 4.02Å; V644-F646 HydrophobicContact CG2-CE2 4.21Å; V644-F646 HydrophobicContact CG2-CZ 4.25Å
647	I	89.3	Confident	90.5	Very high	69 Å²	69	53.3 Å²	53.3	35%	0.354	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-72.2	126	170.6	-59.7	-178.8	0	0	0	107.9	V369 T395 A397	V369-I647 HydrophobicContact CG1-CD1 3.87Å; T395-I647 HydrophobicContact CG2-CD1 4.15Å; T395-I647 PolarHBondContact O-N 2.83Å; A397-I647 HydrophobicContact CB-CG1 3.7Å
648	E	70.2	Confident	90.2	Very high	188 Å²	188	57.3 Å²	57.3	88%	0.879	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-66.5	128	171.1	-60.6	-178.1	152.4	0	0	109.9
649	E	51.8	Low	89.5	Confident	223 Å²	223	61 Å²	61	100%	1.042	29%	0.292	S	S	*	.			trans	-76.4	0	175.8	-70.5	-170.8	149	0	0	113.2

Retrieved 649 of 649 residues in 786.9 ms (Link to these results)

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