A0A060WDH3_ONCMY Loading...

Myogenesis-regulating glycosidase

Putative glycosidase. Promotes myogenesis by activating AKT signaling through the maturation and secretion of IGF2.

AlphaFold DB , UniProt , Accession A0A060WDH3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene myorg, Length 684 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	36.7	Very low	34.2	Very low	227 Å²	227	128.7 Å²	128.7	100%	1.118	84%	0.84	S	S	*	*				0	108.8	0	-175.4	175.6	-78.7	0	0	106.3
2	Y	34.7	Very low	34	Very low	211 Å²	211	129.2 Å²	129.2	83%	0.827	84%	0.839	S	S	*	*			trans	41	109.2	177.1	-51.5	-74.8	0	0	0	117.7
3	Q	29.5	Very low	34.2	Very low	166 Å²	166	128.8 Å²	128.8	78%	0.776	83%	0.832	S	S	*	*			cis	65.3	103.5	38.3	-160.3	-172.2	18.7	0	0	115.1
4	V	35.2	Very low	34.1	Very low	149 Å²	149	129.6 Å²	129.6	90%	0.903	83%	0.834	S	S	*	*			trans	-142.2	137.1	150.9	-179.1	0	0	0	0	109.8
5	V	33.4	Very low	34.3	Very low	115 Å²	115	131.9 Å²	131.9	70%	0.697	84%	0.837	S	S	*	*			trans	-153	146.3	-167.9	168.4	0	0	0	0	106
6	P	50.9	Low	34.2	Very low	129 Å²	129	129.9 Å²	129.9	84%	0.838	84%	0.837	S	S	*	*			cis	-121.6	-153.8	33.4	32.3	-8.6	0	0	0	112.2
7	G	30.2	Very low	34.2	Very low	77 Å²	77	130.3 Å²	130.3	79%	0.794	84%	0.837	S	S	*	*			cis	174.8	179.3	10.5	0	0	0	0	0	109.6
8	G	30.4	Very low	35.1	Very low	80 Å²	80	129.6 Å²	129.6	83%	0.825	83%	0.832	S	S	*	*			cis	-167.9	166.9	-2.1	0	0	0	0	0	109.4
9	A	34.2	Very low	35.1	Very low	115 Å²	115	131.7 Å²	131.7	95%	0.95	83%	0.834	S	S	*	*			trans	-82.3	157.6	-171.8	0	0	0	0	0	114.3
10	G	30.8	Very low	35.3	Very low	75 Å²	75	135 Å²	135	77%	0.773	84%	0.836	S	S	*	*			trans	-175	125.8	167.4	0	0	0	0	0	113.2
11	G	30.2	Very low	35.4	Very low	72 Å²	72	137.9 Å²	137.9	74%	0.742	84%	0.839	S	S	*	*			trans	-74.9	-170.9	161.1	0	0	0	0	0	111.1
12	T	32.1	Very low	35.6	Very low	134 Å²	134	136.4 Å²	136.4	82%	0.822	83%	0.827	S	S	*	*			cis	-160.7	156.1	17.7	19.2	0	0	0	0	110.3
13	V	37	Very low	36.3	Very low	124 Å²	124	134.5 Å²	134.5	75%	0.752	83%	0.83	S	S	*	*			trans	8	125.1	151.9	-171.8	0	0	0	0	118.7
14	T	32.8	Very low	36.9	Very low	141 Å²	141	135.5 Å²	135.5	87%	0.865	83%	0.832	S	S	*	*			trans	-136.5	133	144.3	43.6	0	0	0	0	111.1
15	N	36.7	Very low	37.9	Very low	163 Å²	163	139.6 Å²	139.6	87%	0.872	83%	0.831	S	S	*	*			trans	-87.4	133.9	172.3	-93.3	-25.2	0	0	0	110.1
16	A	32.8	Very low	38.8	Very low	101 Å²	101	141 Å²	141	84%	0.835	83%	0.834	S	S	*	*			trans	-153.3	121.1	162.5	0	0	0	0	0	112.3
17	T	34.6	Very low	38.8	Very low	136 Å²	136	137.5 Å²	137.5	83%	0.834	82%	0.817	S	S	*	*			trans	-118.5	163.4	165.9	44.2	0	0	0	0	109.1
18	P	50.3	Low	40	Very low	117 Å²	117	144 Å²	144	76%	0.76	82%	0.817	S	S	*	*			cis	-131.1	161.1	-30	35.6	-20.7	0	0	0	112.1
19	I	35.2	Very low	41.2	Very low	170 Å²	170	144.6 Å²	144.6	87%	0.872	81%	0.807	S	S	*	*			trans	-127.7	128.6	167.8	-61.7	-176.9	0	0	0	112
20	K	38.6	Very low	42.4	Very low	197 Å²	197	145.3 Å²	145.3	86%	0.857	79%	0.794	S	S	*	*			trans	-27.6	127.6	178.8	-67	169.5	175.7	175.3	0	116.1	K22	K20-K22 PolarHBondContact O-N 3.27Å
21	Q	37.2	Very low	44.1	Very low	196 Å²	196	146 Å²	146	92%	0.916	78%	0.783	S	S	*	*			trans	-54.6	132	160.6	-77.1	179.1	-22.3	0	0	110.7
22	K	41	Very low	46	Very low	196 Å²	196	147.1 Å²	147.1	85%	0.852	78%	0.775	S	S	*	*			trans	-124.7	112	167.3	-159.7	175.3	-170.2	177.5	0	106.5	K20 K24	K20-K22 PolarHBondContact O-N 3.27Å; K22-K24 PolarHBondContact O-N 3.49Å; K22-K24 VanDerWaalsContact O-N 3.09Å
23	L	49.3	Very low	48	Very low	172 Å²	172	143.8 Å²	143.8	90%	0.901	76%	0.761	S	S	*	*			trans	-54.6	118.8	178.4	-91.6	82.6	0	0	0	109.6
24	K	42.9	Very low	49.7	Very low	186 Å²	186	141.6 Å²	141.6	81%	0.809	75%	0.751	S	S	*	*			trans	-103.1	140.7	163.5	-103.3	-176.4	174.2	-178.1	0	109	K22 D26	K22-K24 PolarHBondContact O-N 3.49Å; K22-K24 VanDerWaalsContact O-N 3.09Å; K24-D26 PolarHBondContact O-N 2.93Å
25	R	55.4	Low	52	Low	235 Å²	235	138.8 Å²	138.8	89%	0.887	73%	0.734	S	S	*	*			trans	-97.2	79.8	-165.4	-157.7	176	-175.4	-179.8	0.6	109.3	A27	R25-A27 PolarHBondContact O-N 2.86Å
26	D	51.3	Low	54.3	Low	144 Å²	144	136.2 Å²	136.2	77%	0.77	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	60.9	-176.6	-71.9	-22	0	0	0	113	K24	K24-D26 PolarHBondContact O-N 2.93Å
27	A	52.2	Low	56.8	Low	56 Å²	56	132.9 Å²	132.9	46%	0.463	70%	0.695	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.4	-9.6	176.6	0	0	0	0	0	113.6	R25 V31	R25-A27 PolarHBondContact O-N 2.86Å; A27-V31 VanDerWaalsContact O-CG2 3.24Å; A27-V31 WeakPolarHBondContact O-CG2 3.25Å
28	R	54.8	Low	59.3	Low	214 Å²	214	131.7 Å²	131.7	81%	0.808	68%	0.683	S	S	*	*	H	α-helix	trans	-76.8	-46.7	-177.5	-76.3	-175.3	171.6	179.4	-3.5	115.4	L30 V32	R28-L30 PolarHBondContact O-N 3.06Å; R28-V32 WeakPolarHBondContact O-CG2 2.99Å; R28-V32 PolarHBondContact O-N 3.39Å
29	P	56.4	Low	61.1	Low	93 Å²	93	130.2 Å²	130.2	60%	0.604	67%	0.672	S	S	*	*	H	α-helix	trans	-69.5	-35.8	-176	26	-32.6	0	0	0	112.5	V32 A33	P29-V32 PolarHBondContact O-N 3.14Å; P29-A33 WeakPolarHBondContact O-CB 3.38Å; P29-A33 PolarHBondContact O-N 3.48Å
30	L	58.3	Low	63.7	Low	130 Å²	130	127.6 Å²	127.6	68%	0.681	66%	0.658	S	S	*	*	H	α-helix	trans	-65.5	-45.8	179.1	-158.7	80.6	0	0	0	111.8	R28 V32 A33 S34	R28-L30 PolarHBondContact O-N 3.06Å; L30-V32 PolarHBondContact O-N 2.92Å; L30-A33 PolarHBondContact O-N 3.03Å; L30-S34 PolarHBondContact O-N 3.16Å; L30-S34 PolarHBondContact O-OG 3.09Å; L30-S34 VanDerWaalsContact O-OG 3.1Å
31	V	67.3	Low	66.1	Low	89 Å²	89	122.5 Å²	122.5	54%	0.539	64%	0.644	S	S	.	*	H	α-helix	trans	-64.5	-40.3	178.3	172.9	0	0	0	0	111.4	A27 S34 V35	A27-V31 VanDerWaalsContact O-CG2 3.24Å; A27-V31 WeakPolarHBondContact O-CG2 3.25Å; V31-S34 PolarHBondContact O-N 3.35Å; V31-V35 HydrophobicContact CG1-CG2 4.43Å; V31-V35 WeakPolarHBondContact O-CB 3.41Å; V31-V35 VanDerWaalsContact O-CG2 3.29Å; V31-V35 WeakPolarHBondContact O-CG2 3.22Å; V31-V35 PolarHBondContact O-N 3.39Å
32	V	70.2	Confident	68.5	Low	95 Å²	95	117.6 Å²	117.6	58%	0.576	62%	0.623	S	S	*	*	H	α-helix	trans	-63.8	-43.3	175.5	172.7	0	0	0	0	111	R28 P29 L30 V35 L36	R28-V32 WeakPolarHBondContact O-CG2 2.99Å; R28-V32 PolarHBondContact O-N 3.39Å; P29-V32 PolarHBondContact O-N 3.14Å; L30-V32 PolarHBondContact O-N 2.92Å; V32-V35 PolarHBondContact O-N 2.93Å; V32-L36 WeakPolarHBondContact O-CB 3.43Å; V32-L36 PolarHBondContact O-N 3.48Å
33	A	74	Confident	70.6	Confident	64 Å²	64	110.6 Å²	110.6	53%	0.529	60%	0.601	S	S	.	*	H	α-helix	trans	-63	-42.3	175.9	0	0	0	0	0	112.5	P29 L30 L36 G37	P29-A33 WeakPolarHBondContact O-CB 3.38Å; P29-A33 PolarHBondContact O-N 3.48Å; L30-A33 PolarHBondContact O-N 3.03Å; A33-L36 PolarHBondContact O-N 2.91Å; A33-G37 PolarHBondContact O-N 3.01Å
34	S	72.6	Confident	72.3	Confident	78 Å²	78	105.3 Å²	105.3	55%	0.545	58%	0.582	S	S	.	*	H	α-helix	trans	-64.5	-40.1	175.8	-61.3	0	0	0	0	112.8	L30 V31 G37 L38	L30-S34 PolarHBondContact O-N 3.16Å; L30-S34 PolarHBondContact O-OG 3.09Å; L30-S34 VanDerWaalsContact O-OG 3.1Å; V31-S34 PolarHBondContact O-N 3.35Å; S34-G37 PolarHBondContact O-N 3.21Å; S34-L38 WeakPolarHBondContact O-CB 3.5Å; S34-L38 PolarHBondContact O-N 3.4Å
35	V	81.4	Confident	74.3	Confident	83 Å²	83	100.3 Å²	100.3	50%	0.503	57%	0.567	S	S	.	*	H	α-helix	trans	-67.2	-42.4	175.2	170.9	0	0	0	0	111	V31 V32 G37 L38 V39	V31-V35 HydrophobicContact CG1-CG2 4.43Å; V31-V35 WeakPolarHBondContact O-CB 3.41Å; V31-V35 VanDerWaalsContact O-CG2 3.29Å; V31-V35 WeakPolarHBondContact O-CG2 3.22Å; V31-V35 PolarHBondContact O-N 3.39Å; V32-V35 PolarHBondContact O-N 2.93Å; V35-G37 VanDerWaalsContact C-N 3.34Å; V35-G37 PolarHBondContact O-N 3.09Å; V35-L38 PolarHBondContact O-N 2.86Å; V35-V39 WeakPolarHBondContact O-CG2 3.42Å; V35-V39 PolarHBondContact O-N 3.35Å
36	L	83.6	Confident	75.6	Confident	109 Å²	109	93.1 Å²	93.1	57%	0.571	55%	0.55	S	S	*	.	H	α-helix	trans	-62.5	-42.7	176.2	-143.1	92.2	0	0	0	111.4	V32 A33 V39 L40	V32-L36 WeakPolarHBondContact O-CB 3.43Å; V32-L36 PolarHBondContact O-N 3.48Å; A33-L36 PolarHBondContact O-N 2.91Å; L36-V39 PolarHBondContact O-N 3.08Å; L36-L40 WeakPolarHBondContact O-CG 3.4Å; L36-L40 PolarHBondContact O-N 3.28Å
37	G	85.5	Confident	76.8	Confident	31 Å²	31	89.1 Å²	89.1	32%	0.32	54%	0.537	S	S	.	.	H	α-helix	trans	-60.9	-43.8	174.3	0	0	0	0	0	112.5	A33 S34 V35 L40 V41	A33-G37 PolarHBondContact O-N 3.01Å; S34-G37 PolarHBondContact O-N 3.21Å; V35-G37 VanDerWaalsContact C-N 3.34Å; V35-G37 PolarHBondContact O-N 3.09Å; G37-L40 PolarHBondContact O-N 3.43Å; G37-V41 WeakPolarHBondContact O-CG2 3.36Å; G37-V41 PolarHBondContact O-N 3.28Å
38	L	87.6	Confident	78	Confident	110 Å²	110	94.1 Å²	94.1	58%	0.576	54%	0.544	S	S	*	.	H	α-helix	trans	-63	-42.5	175.9	-166.4	76	0	0	0	111.8	S34 V35 V41 I42	S34-L38 WeakPolarHBondContact O-CB 3.5Å; S34-L38 PolarHBondContact O-N 3.4Å; V35-L38 PolarHBondContact O-N 2.86Å; L38-V41 PolarHBondContact O-N 3.06Å; L38-I42 HydrophobicContact CD2-CD1 4.43Å; L38-I42 HydrophobicContact CG-CD1 4.05Å; L38-I42 WeakPolarHBondContact O-CB 3.16Å; L38-I42 VanDerWaalsContact O-CG1 3.27Å; L38-I42 WeakPolarHBondContact O-CG1 3.32Å; L38-I42 PolarHBondContact O-N 2.92Å
39	V	89	Confident	79.1	Confident	87 Å²	87	87.7 Å²	87.7	53%	0.527	53%	0.531	S	S	.	.	H	α-helix	trans	-63.3	-41.9	175.9	169.9	0	0	0	0	111.3	V35 L36 I42 A43	V35-V39 WeakPolarHBondContact O-CG2 3.42Å; V35-V39 PolarHBondContact O-N 3.35Å; L36-V39 PolarHBondContact O-N 3.08Å; V39-I42 PolarHBondContact O-N 3.33Å; V39-A43 VanDerWaalsContact O-CB 3.3Å; V39-A43 WeakPolarHBondContact O-CB 3.28Å; V39-A43 PolarHBondContact O-N 3.48Å
40	L	88.4	Confident	79.9	Confident	114 Å²	114	90.2 Å²	90.2	60%	0.597	53%	0.529	S	S	*	.	H	α-helix	trans	-65.9	-39.5	176	-72.9	170.1	0	0	0	112.4	L36 G37 A43 A44	L36-L40 WeakPolarHBondContact O-CG 3.4Å; L36-L40 PolarHBondContact O-N 3.28Å; G37-L40 PolarHBondContact O-N 3.43Å; L40-A43 PolarHBondContact O-N 2.86Å; L40-A44 VanDerWaalsContact O-CB 3.3Å; L40-A44 WeakPolarHBondContact O-CB 3.37Å; L40-A44 PolarHBondContact O-N 2.87Å
41	V	89.1	Confident	80.6	Confident	90 Å²	90	90.5 Å²	90.5	55%	0.545	52%	0.522	S	S	.	.	H	α-helix	trans	-65.9	-43.7	174	172	0	0	0	0	111	G37 L38 A43 A44 V45	G37-V41 WeakPolarHBondContact O-CG2 3.36Å; G37-V41 PolarHBondContact O-N 3.28Å; L38-V41 PolarHBondContact O-N 3.06Å; V41-A43 PolarHBondContact O-N 2.83Å; V41-A44 PolarHBondContact O-N 2.83Å; V41-V45 HydrophobicContact CG1-CG2 4.29Å; V41-V45 WeakPolarHBondContact O-CB 3.38Å; V41-V45 VanDerWaalsContact O-CG2 3.28Å; V41-V45 WeakPolarHBondContact O-CG2 3.4Å; V41-V45 PolarHBondContact O-N 3.32Å
42	I	88.1	Confident	80.7	Confident	94 Å²	94	89.4 Å²	89.4	48%	0.482	51%	0.513	S	S	.	.	H	α-helix	trans	-61.3	-44.9	175.3	-69.8	165.1	0	0	0	110.3	L38 V39 A44 V45 T46	L38-I42 HydrophobicContact CD2-CD1 4.43Å; L38-I42 HydrophobicContact CG-CD1 4.05Å; L38-I42 WeakPolarHBondContact O-CB 3.16Å; L38-I42 VanDerWaalsContact O-CG1 3.27Å; L38-I42 WeakPolarHBondContact O-CG1 3.32Å; L38-I42 PolarHBondContact O-N 2.92Å; V39-I42 PolarHBondContact O-N 3.33Å; I42-A44 PolarHBondContact O-N 3.45Å; I42-V45 PolarHBondContact O-N 3.38Å; I42-T46 HydrophobicContact CG2-CG2 4.34Å; I42-T46 WeakPolarHBondContact O-CG2 3.27Å; I42-T46 PolarHBondContact O-N 3.49Å; I42-T46 PolarHBondContact O-OG1 2.86Å; I42-T46 VanDerWaalsContact O-OG1 3.05Å
43	A	86.1	Confident	80.4	Confident	48 Å²	48	86.5 Å²	86.5	40%	0.397	50%	0.502	S	S	.	.	H	α-helix	trans	-63.6	-38.8	177.1	0	0	0	0	0	112.8	V39 L40 V41 T46 A47	V39-A43 VanDerWaalsContact O-CB 3.3Å; V39-A43 WeakPolarHBondContact O-CB 3.28Å; V39-A43 PolarHBondContact O-N 3.48Å; L40-A43 PolarHBondContact O-N 2.86Å; V41-A43 PolarHBondContact O-N 2.83Å; A43-T46 WeakPolarHBondContact CA-OG1 3.43Å; A43-T46 PolarHBondContact O-OG1 2.84Å; A43-T46 VanDerWaalsContact O-OG1 3.13Å; A43-A47 WeakPolarHBondContact O-CB 3.29Å; A43-A47 PolarHBondContact O-N 3.31Å
44	A	84.3	Confident	79.7	Confident	61 Å²	61	85.9 Å²	85.9	50%	0.504	49%	0.494	S	S	.	.	H	α-helix	trans	-67.6	-41.3	174.7	0	0	0	0	0	111.7	L40 V41 I42 W48	L40-A44 VanDerWaalsContact O-CB 3.3Å; L40-A44 WeakPolarHBondContact O-CB 3.37Å; L40-A44 PolarHBondContact O-N 2.87Å; V41-A44 PolarHBondContact O-N 2.83Å; I42-A44 PolarHBondContact O-N 3.45Å; A44-W48 WeakPolarHBondContact O-CB 3.49Å; A44-W48 PolarHBondContact O-N 2.85Å
45	V	84.9	Confident	79.1	Confident	81 Å²	81	85.9 Å²	85.9	49%	0.491	49%	0.487	S	S	.	.	H	α-helix	trans	-69.5	-39.9	177.2	171	0	0	0	0	111.5	V41 I42 W48 C49	V41-V45 HydrophobicContact CG1-CG2 4.29Å; V41-V45 WeakPolarHBondContact O-CB 3.38Å; V41-V45 VanDerWaalsContact O-CG2 3.28Å; V41-V45 WeakPolarHBondContact O-CG2 3.4Å; V41-V45 PolarHBondContact O-N 3.32Å; I42-V45 PolarHBondContact O-N 3.38Å; V45-W48 PolarHBondContact O-N 2.81Å; V45-C49 WeakPolarHBondContact O-CB 3.26Å; V45-C49 PolarHBondContact O-N 2.87Å; V45-C49 PolarHBondContact O-SG 3.36Å
46	T	82.1	Confident	78.1	Confident	85 Å²	85	90.4 Å²	90.4	52%	0.521	50%	0.495	S	S	.	.	H	α-helix	trans	-68.3	-41.2	175	54.3	0	0	0	0	111.5	I42 A43 W48 C49 Y50	I42-T46 HydrophobicContact CG2-CG2 4.34Å; I42-T46 WeakPolarHBondContact O-CG2 3.27Å; I42-T46 PolarHBondContact O-N 3.49Å; I42-T46 PolarHBondContact O-OG1 2.86Å; I42-T46 VanDerWaalsContact O-OG1 3.05Å; A43-T46 WeakPolarHBondContact CA-OG1 3.43Å; A43-T46 PolarHBondContact O-OG1 2.84Å; A43-T46 VanDerWaalsContact O-OG1 3.13Å; T46-W48 VanDerWaalsContact C-N 3.34Å; T46-W48 PolarHBondContact O-N 3.05Å; T46-C49 PolarHBondContact O-N 3.4Å; T46-Y50 VanDerWaalsContact O-CB 3.26Å; T46-Y50 WeakPolarHBondContact O-CB 3.47Å; T46-Y50 PolarHBondContact O-N 2.9Å
47	A	77.7	Confident	76.9	Confident	60 Å²	60	88.8 Å²	88.8	50%	0.496	48%	0.484	S	S	.	.	H	α-helix	trans	-61.6	-40.6	172.3	0	0	0	0	0	112	A43 Y50 Y51	A43-A47 WeakPolarHBondContact O-CB 3.29Å; A43-A47 PolarHBondContact O-N 3.31Å; A47-Y50 PolarHBondContact O-N 3.34Å; A47-Y51 WeakPolarHBondContact O-CB 3.24Å; A47-Y51 PolarHBondContact O-N 2.93Å
48	W	77.4	Confident	75.5	Confident	160 Å²	160	89.3 Å²	89.3	61%	0.606	49%	0.485	S	S	*	.	H	α-helix	trans	-68	-43.3	176.9	-176.9	-96.5	0	0	0	112.7	A44 V45 T46 Y51 I52	A44-W48 WeakPolarHBondContact O-CB 3.49Å; A44-W48 PolarHBondContact O-N 2.85Å; V45-W48 PolarHBondContact O-N 2.81Å; T46-W48 VanDerWaalsContact C-N 3.34Å; T46-W48 PolarHBondContact O-N 3.05Å; W48-Y51 PolarHBondContact O-N 3.48Å; W48-I52 HydrophobicContact CZ2-CD1 4.15Å; W48-I52 PolarHBondContact O-N 3.28Å
49	C	76.3	Confident	74.2	Confident	79 Å²	79	90.5 Å²	90.5	53%	0.534	49%	0.488	S	S	.	.	H	α-helix	trans	-64.7	-39.7	174.2	-73.5	0	0	0	0	111.9	V45 T46 G53	V45-C49 WeakPolarHBondContact O-CB 3.26Å; V45-C49 PolarHBondContact O-N 2.87Å; V45-C49 PolarHBondContact O-SG 3.36Å; T46-C49 PolarHBondContact O-N 3.4Å; C49-G53 PolarHBondContact O-N 3.32Å
50	Y	74.1	Confident	72.7	Confident	147 Å²	147	91.3 Å²	91.3	58%	0.576	49%	0.488	S	S	*	.	H	α-helix	trans	-65.1	-43	173.2	-175.4	-105.4	0	0	0	111.2	T46 A47 G53 S54 D96	T46-Y50 VanDerWaalsContact O-CB 3.26Å; T46-Y50 WeakPolarHBondContact O-CB 3.47Å; T46-Y50 PolarHBondContact O-N 2.9Å; A47-Y50 PolarHBondContact O-N 3.34Å; Y50-G53 PolarHBondContact O-N 3.49Å; Y50-S54 VanDerWaalsContact O-CB 3.28Å; Y50-S54 WeakPolarHBondContact O-CB 3.1Å; Y50-S54 PolarHBondContact O-N 3.1Å; Y50-D96 PolarHBondContact OH-OD2 3.39Å
51	Y	73.3	Confident	71.3	Confident	135 Å²	135	86.3 Å²	86.3	53%	0.529	46%	0.462	S	S	.	.	H	α-helix	trans	-61.6	-46.4	175.7	-179.6	-110.6	0	0	0	112.7	A47 W48 S54 L55	A47-Y51 WeakPolarHBondContact O-CB 3.24Å; A47-Y51 PolarHBondContact O-N 2.93Å; W48-Y51 PolarHBondContact O-N 3.48Å; Y51-S54 PolarHBondContact O-N 2.94Å; Y51-L55 HydrophobicContact CD1-CD1 3.91Å; Y51-L55 HydrophobicContact CE1-CD1 3.39Å; Y51-L55 HydrophobicContact CE2-CD1 4.18Å; Y51-L55 HydrophobicContact CG-CD1 4.49Å; Y51-L55 WeakPolarHBondContact O-CB 3.5Å; Y51-L55 PolarHBondContact O-N 2.9Å
52	I	69.4	Low	69.8	Low	66 Å²	66	87.4 Å²	87.4	34%	0.338	46%	0.46	S	S	.	.	H	α-helix	trans	-65.7	-39.5	175.3	-73.5	-176.4	0	0	0	111.7	W48 L55 R56	W48-I52 HydrophobicContact CZ2-CD1 4.15Å; W48-I52 PolarHBondContact O-N 3.28Å; I52-L55 PolarHBondContact O-N 3.4Å; I52-R56 PolarHBondContact O-N 2.93Å
53	G	62.9	Low	68.8	Low	34 Å²	34	85.1 Å²	85.1	35%	0.351	45%	0.45	S	S	.	.	H	α-helix	trans	-61.9	-43.9	174.3	0	0	0	0	0	112.2	C49 Y50 R56 K57	C49-G53 PolarHBondContact O-N 3.32Å; Y50-G53 PolarHBondContact O-N 3.49Å; G53-R56 PolarHBondContact O-N 3.38Å; G53-K57 PolarHBondContact O-N 2.85Å
54	S	60.5	Low	68	Low	52 Å²	52	91.5 Å²	91.5	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-64.5	-41.7	175.5	-169.9	0	0	0	0	112.1	Y50 Y51 K57 A58	Y50-S54 VanDerWaalsContact O-CB 3.28Å; Y50-S54 WeakPolarHBondContact O-CB 3.1Å; Y50-S54 PolarHBondContact O-N 3.1Å; Y51-S54 PolarHBondContact O-N 2.94Å; S54-K57 PolarHBondContact O-N 3.35Å; S54-A58 WeakPolarHBondContact O-CB 3.48Å; S54-A58 PolarHBondContact O-N 3.28Å
55	L	59.1	Low	68	Low	78 Å²	78	89.7 Å²	89.7	41%	0.408	45%	0.454	S	S	.	.	H	α-helix	trans	-60.4	-47.5	174.6	-102.3	159.8	0	0	0	112.6	Y51 I52 K57 A58 E59	Y51-L55 HydrophobicContact CD1-CD1 3.91Å; Y51-L55 HydrophobicContact CE1-CD1 3.39Å; Y51-L55 HydrophobicContact CE2-CD1 4.18Å; Y51-L55 HydrophobicContact CG-CD1 4.49Å; Y51-L55 WeakPolarHBondContact O-CB 3.5Å; Y51-L55 PolarHBondContact O-N 2.9Å; I52-L55 PolarHBondContact O-N 3.4Å; L55-K57 VanDerWaalsContact C-N 3.31Å; L55-K57 PolarHBondContact O-N 3.28Å; L55-A58 WeakPolarHBondContact O-CA 3.46Å; L55-A58 WeakPolarHBondContact O-CB 3.42Å; L55-A58 PolarHBondContact O-N 3.48Å; L55-A58 VanDerWaalsContact O-N 3.09Å; L55-E59 PolarHBondContact O-N 3.1Å
56	R	61.1	Low	68.3	Low	178 Å²	178	86 Å²	86	67%	0.672	43%	0.431	S	S	*	.	H	α-helix	trans	-64.4	-34.3	176.2	-79.2	-177.3	169.1	179.2	-2.9	112.8	I52 G53 L60	I52-R56 PolarHBondContact O-N 2.93Å; G53-R56 PolarHBondContact O-N 3.38Å; R56-L60 PolarHBondContact O-N 2.96Å
57	K	58	Low	68.7	Low	74 Å²	74	83.7 Å²	83.7	32%	0.322	42%	0.415	S	S	.	.	H	α-helix	trans	-65.4	-42	169.4	-76.1	-173.7	-177.9	178.9	0	111.5	G53 S54 L55 E59 L60 L61 D96	G53-K57 PolarHBondContact O-N 2.85Å; S54-K57 PolarHBondContact O-N 3.35Å; L55-K57 VanDerWaalsContact C-N 3.31Å; L55-K57 PolarHBondContact O-N 3.28Å; K57-E59 VanDerWaalsContact C-N 3.3Å; K57-E59 PolarHBondContact O-N 2.71Å; K57-L60 WeakPolarHBondContact O-CB 3.48Å; K57-L60 PolarHBondContact O-N 3.02Å; K57-L60 VanDerWaalsContact O-N 3.09Å; K57-L61 WeakPolarHBondContact O-CG 3.21Å; K57-L61 PolarHBondContact O-N 2.81Å; K57-L61 VanDerWaalsContact O-N 3.15Å; K57-D96 PolarHBondContact NZ-O 2.89Å; K57-D96 IonicContact NZ-OD1 2.71Å; K57-D96 PolarHBondContact NZ-OD1 2.56Å
58	A	56.4	Low	69.3	Low	42 Å²	42	81 Å²	81	35%	0.347	39%	0.393	S	S	.	.	H	α-helix	trans	-63.5	-33.1	176.8	0	0	0	0	0	113	S54 L55 L61 K62	S54-A58 WeakPolarHBondContact O-CB 3.48Å; S54-A58 PolarHBondContact O-N 3.28Å; L55-A58 WeakPolarHBondContact O-CA 3.46Å; L55-A58 WeakPolarHBondContact O-CB 3.42Å; L55-A58 PolarHBondContact O-N 3.48Å; L55-A58 VanDerWaalsContact O-N 3.09Å; A58-L61 PolarHBondContact O-N 3.31Å; A58-K62 PolarHBondContact O-N 3.13Å
59	E	60.4	Low	69.9	Low	135 Å²	135	76.1 Å²	76.1	63%	0.631	38%	0.378	S	S	*	.	H	α-helix	trans	-66.5	-38.1	170.1	-73.2	-179.4	137.3	0	0	112.5	L55 K57 L61 K62	L55-E59 PolarHBondContact O-N 3.1Å; K57-E59 VanDerWaalsContact C-N 3.3Å; K57-E59 PolarHBondContact O-N 2.71Å; E59-L61 VanDerWaalsContact C-N 3.25Å; E59-L61 PolarHBondContact O-N 3.28Å; E59-K62 PolarHBondContact O-N 3.21Å; E59-K62 VanDerWaalsContact O-N 3.16Å; E59-K62 VanDerWaalsContact O-O 3.13Å
60	L	57.7	Low	70.5	Confident	104 Å²	104	77.4 Å²	77.4	55%	0.545	38%	0.375	S	S	.	.	H	α-helix	trans	-64.5	-27.8	174.4	-75.7	163.5	0	0	0	113.4	R56 K57 K62	R56-L60 PolarHBondContact O-N 2.96Å; K57-L60 WeakPolarHBondContact O-CB 3.48Å; K57-L60 PolarHBondContact O-N 3.02Å; K57-L60 VanDerWaalsContact O-N 3.09Å; L60-K62 VanDerWaalsContact C-N 3.3Å
61	L	57.8	Low	71.3	Confident	9 Å²	9	73.8 Å²	73.8	5%	0.047	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-11.7	176.6	-62	173.7	0	0	0	113.4	K57 A58 E59 L68 L95 C98 L105	K57-L61 WeakPolarHBondContact O-CG 3.21Å; K57-L61 PolarHBondContact O-N 2.81Å; K57-L61 VanDerWaalsContact O-N 3.15Å; A58-L61 PolarHBondContact O-N 3.31Å; E59-L61 VanDerWaalsContact C-N 3.25Å; E59-L61 PolarHBondContact O-N 3.28Å; L61-L68 HydrophobicContact CD2-CD2 4.27Å; L61-L68 PolarHBondContact O-N 2.86Å; L61-L95 HydrophobicContact CD1-CB 4.21Å; L61-L95 HydrophobicContact CD1-CD1 4.06Å; L61-L95 HydrophobicContact CD1-CD2 3.81Å; L61-L95 HydrophobicContact CD1-CG 4.23Å; L61-C98 HydrophobicContact CD2-CB 3.73Å; L61-L105 HydrophobicContact CD2-CD1 3.8Å; L61-L105 HydrophobicContact CD2-CD2 3.81Å; L61-L105 HydrophobicContact CD2-CG 4.05Å
62	K	59.2	Low	72.3	Confident	114 Å²	114	67.5 Å²	67.5	50%	0.496	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-97.5	128.3	172.8	-70.4	-176.4	177.2	-167.7	0	110.1	A58 E59 L60 D67	A58-K62 PolarHBondContact O-N 3.13Å; E59-K62 PolarHBondContact O-N 3.21Å; E59-K62 VanDerWaalsContact O-N 3.16Å; E59-K62 VanDerWaalsContact O-O 3.13Å; L60-K62 VanDerWaalsContact C-N 3.3Å; K62-D67 WeakPolarHBondContact CE-OD1 3.09Å; K62-D67 WeakPolarHBondContact CE-OD2 3.48Å; K62-D67 IonicContact NZ-OD2 3.52Å
63	T	66.6	Low	73.5	Confident	45 Å²	45	64.4 Å²	64.4	28%	0.276	33%	0.326	S	S	.	.			trans	-107	169.5	153.8	61.8	0	0	0	0	107.8	L65 L66	T63-L65 PolarHBondContact O-N 3.02Å; T63-L66 PolarHBondContact N-O 3.11Å; T63-L66 PolarHBondContact O-N 3.44Å; T63-L66 WeakPolarHBondContact OG1-CB 3.21Å; T63-L66 PolarHBondContact OG1-N 3.47Å; T63-L66 VanDerWaalsContact OG1-N 3.14Å; T63-L66 PolarHBondContact OG1-O 3.32Å
64	E	69.3	Low	75.1	Confident	183 Å²	183	63.7 Å²	63.7	86%	0.855	31%	0.314	S	S	*	.	S	Bend	trans	-53.7	-30.7	-179.4	-169.1	167.5	-156	0	0	113.1
65	L	84.9	Confident	76.7	Confident	23 Å²	23	61.2 Å²	61.2	12%	0.12	30%	0.296	C	S	.	.	S	Bend	trans	-119.5	-7.1	-173.1	-59	176.4	0	0	0	115.1	T63 I75 R76 N77 Y130	T63-L65 PolarHBondContact O-N 3.02Å; L65-I75 CarbonylContact O-C 3.58Å; L65-I75 WeakPolarHBondContact O-CA 3.18Å; L65-R76 HydrophobicContact CD2-CB 4.42Å; L65-R76 PolarHBondContact O-N 3.49Å; L65-N77 WeakPolarHBondContact CD2-O 3.38Å; L65-Y130 WeakPolarHBondContact CB-OH 3.18Å
66	L	90.6	Very high	78.3	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	124.3	175.5	167.4	76.2	0	0	0	110.4	T63 Y73 I74 I75 I119 Y130	T63-L66 PolarHBondContact N-O 3.11Å; T63-L66 PolarHBondContact O-N 3.44Å; T63-L66 WeakPolarHBondContact OG1-CB 3.21Å; T63-L66 PolarHBondContact OG1-N 3.47Å; T63-L66 VanDerWaalsContact OG1-N 3.14Å; T63-L66 PolarHBondContact OG1-O 3.32Å; L66-Y73 HydrophobicContact CD1-CD2 3.6Å; L66-Y73 HydrophobicContact CD1-CG 4.08Å; L66-I74 WeakPolarHBondContact CA-O 3.5Å; L66-I75 HydrophobicContact CD1-CG1 4.07Å; L66-I119 HydrophobicContact CD1-CD1 3.75Å; L66-I119 HydrophobicContact CD2-CD1 3.62Å; L66-I119 HydrophobicContact CD2-CG1 3.99Å; L66-I119 HydrophobicContact CD2-CG2 4.13Å; L66-I119 HydrophobicContact CG-CD1 4.35Å; L66-Y130 HydrophobicContact CB-CD1 4.32Å; L66-Y130 HydrophobicContact CB-CE1 3.67Å; L66-Y130 HydrophobicContact CD2-CD1 4.02Å; L66-Y130 HydrophobicContact CD2-CE1 4.14Å; L66-Y130 HydrophobicContact CG-CE1 4.35Å
67	D	90.4	Very high	79.5	Confident	35 Å²	35	55.3 Å²	55.3	19%	0.187	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	102.6	175	-167.8	-15.4	0	0	0	108.8	K62 Y73 I74	K62-D67 WeakPolarHBondContact CE-OD1 3.09Å; K62-D67 WeakPolarHBondContact CE-OD2 3.48Å; K62-D67 IonicContact NZ-OD2 3.52Å; D67-Y73 CarbonylContact O-C 3.51Å; D67-Y73 VanDerWaalsContact O-CA 3.26Å; D67-Y73 WeakPolarHBondContact O-CA 3.07Å; D67-I74 HydrophobicContact CB-CB 4.48Å; D67-I74 PolarHBondContact N-O 2.95Å; D67-I74 PolarHBondContact O-N 2.75Å
68	L	90.3	Very high	80.7	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.5	176.5	177.6	68	0	0	0	110.4	L61 F88 L93 L105 F117 I119	L61-L68 HydrophobicContact CD2-CD2 4.27Å; L61-L68 PolarHBondContact O-N 2.86Å; L68-F88 HydrophobicContact CD1-CE2 4.13Å; L68-F88 HydrophobicContact CD1-CZ 4Å; L68-L93 HydrophobicContact CD1-CD1 3.96Å; L68-L93 HydrophobicContact CD2-CD1 4.25Å; L68-L93 HydrophobicContact CG-CD1 4.37Å; L68-L105 HydrophobicContact CB-CD1 4.41Å; L68-L105 HydrophobicContact CD2-CD1 3.62Å; L68-L105 HydrophobicContact CD2-CD2 3.41Å; L68-L105 VanDerWaalsContact CD2-CD2 3.41Å; L68-L105 HydrophobicContact CD2-CG 4.17Å; L68-F117 HydrophobicContact CD1-CE1 3.94Å; L68-F117 HydrophobicContact CD1-CZ 4.01Å; L68-F117 HydrophobicContact CD2-CD1 4.5Å; L68-F117 HydrophobicContact CD2-CE1 3.73Å; L68-I119 HydrophobicContact CD2-CG2 4.26Å
69	N	89.6	Confident	82	Confident	56 Å²	56	61.7 Å²	61.7	30%	0.299	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	178.7	173	66.9	74.3	0	0	0	110.7	D71 G72	N69-D71 PolarHBondContact O-N 2.83Å; N69-D71 WeakPolarHBondContact OD1-CA 3.4Å; N69-D71 PolarHBondContact OD1-N 2.75Å; N69-G72 CarbonylContact C-O 3.53Å; N69-G72 VanDerWaalsContact CG-O 3.22Å; N69-G72 PolarHBondContact N-O 2.98Å; N69-G72 PolarHBondContact ND2-O 2.04Å; N69-G72 PolarHBondContact OD1-N 2.81Å; N69-G72 VanDerWaalsContact OD1-N 3.07Å; N69-G72 PolarHBondContact OD1-O 2.96Å
70	K	88.5	Confident	83.2	Confident	106 Å²	106	56.8 Å²	56.8	46%	0.461	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.8	-175	71	174.4	-167.2	174.9	0	113.6	T92 L93 L95	K70-T92 CarbonylContact O-C 3.59Å; K70-T92 WeakPolarHBondContact O-CA 3.1Å; K70-T92 WeakPolarHBondContact O-CB 3.34Å; K70-L93 PolarHBondContact O-N 2.64Å; K70-L95 HydrophobicContact CB-CD1 4.01Å; K70-L95 HydrophobicContact CB-CD2 4.16Å; K70-L95 HydrophobicContact CB-CG 3.9Å
71	D	91.8	Very high	84.7	Confident	72 Å²	72	54.2 Å²	54.2	39%	0.385	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	0.7	-171.3	-55	-52.6	0	0	0	112.4	N69 S87 F88 T92	N69-D71 PolarHBondContact O-N 2.83Å; N69-D71 WeakPolarHBondContact OD1-CA 3.4Å; N69-D71 PolarHBondContact OD1-N 2.75Å; D71-S87 CarbonylContact O-C 3.31Å; D71-S87 WeakPolarHBondContact O-CA 3.44Å; D71-F88 VanDerWaalsContact C-CD2 3.43Å; D71-F88 PolarHBondContact O-N 3.43Å; D71-T92 WeakPolarHBondContact OD1-CG2 3.08Å
72	G	94.3	Very high	86.4	Confident	2 Å²	2	56.4 Å²	56.4	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.8	-169.9	-177.4	0	0	0	0	0	113.7	N69 M86 F88	N69-G72 CarbonylContact C-O 3.53Å; N69-G72 VanDerWaalsContact CG-O 3.22Å; N69-G72 PolarHBondContact N-O 2.98Å; N69-G72 PolarHBondContact ND2-O 2.04Å; N69-G72 PolarHBondContact OD1-N 2.81Å; N69-G72 VanDerWaalsContact OD1-N 3.07Å; N69-G72 PolarHBondContact OD1-O 2.96Å; G72-M86 CarbonylContact C-O 3.57Å; G72-M86 WeakPolarHBondContact CA-O 3.4Å; G72-F88 VanDerWaalsContact CA-CE2 3.45Å
73	Y	94.9	Very high	88.1	Confident	1 Å²	1	51.3 Å²	51.3	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	161.9	171.7	67	-86	0	0	0	112.8	L66 D67 I75 F84 M86 F88 I119 V132 Y250	L66-Y73 HydrophobicContact CD1-CD2 3.6Å; L66-Y73 HydrophobicContact CD1-CG 4.08Å; D67-Y73 CarbonylContact O-C 3.51Å; D67-Y73 VanDerWaalsContact O-CA 3.26Å; D67-Y73 WeakPolarHBondContact O-CA 3.07Å; Y73-I75 HydrophobicContact CD2-CD1 4.43Å; Y73-I75 HydrophobicContact CD2-CG1 4.19Å; Y73-I75 HydrophobicContact CE2-CD1 3.93Å; Y73-I75 HydrophobicContact CE2-CG1 4.19Å; Y73-F84 AromaticContact CE2-CD1 3.97Å; Y73-F84 HydrophobicContact CE2-CD1 3.97Å; Y73-F84 AromaticContact CE2-CE1 3.91Å; Y73-F84 HydrophobicContact CE2-CE1 3.91Å; Y73-M86 HydrophobicContact CD1-CB 4.1Å; Y73-M86 HydrophobicContact CD1-CG 4.5Å; Y73-M86 HydrophobicContact CE1-CB 3.6Å; Y73-M86 HydrophobicContact CE1-CG 3.76Å; Y73-M86 HydrophobicContact CE2-CB 4.2Å; Y73-M86 PolarHBondContact N-O 2.86Å; Y73-M86 PolarHBondContact O-N 3.31Å; Y73-F88 AromaticContact CD1-CE1 3.96Å; Y73-F88 HydrophobicContact CD1-CE1 3.96Å; Y73-F88 AromaticContact CD1-CZ 3.91Å; Y73-F88 HydrophobicContact CD1-CZ 3.91Å; Y73-F88 HydrophobicContact CE1-CE1 4.17Å; Y73-I119 HydrophobicContact CD2-CD1 4.24Å; Y73-I119 HydrophobicContact CE2-CD1 4.31Å; Y73-I119 HydrophobicContact CG-CD1 4.4Å; Y73-V132 HydrophobicContact CE1-CG1 4.49Å; Y73-V132 HydrophobicContact CE1-CG2 4.33Å; Y73-Y250 WeakPolarHBondContact CE1-OH 3.49Å; Y73-Y250 WeakPolarHBondContact OH-CE2 3.41Å; Y73-Y250 PolarHBondContact OH-OH 2.66Å
74	I	95.2	Very high	89.5	Confident	19 Å²	19	49.4 Å²	49.4	10%	0.097	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.6	-179.9	-60	172.6	0	0	0	108.2	L66 D67 I82 F84	L66-I74 WeakPolarHBondContact CA-O 3.5Å; D67-I74 HydrophobicContact CB-CB 4.48Å; D67-I74 PolarHBondContact N-O 2.95Å; D67-I74 PolarHBondContact O-N 2.75Å; I74-I82 HydrophobicContact CG2-CB 4.2Å; I74-I82 HydrophobicContact CG2-CD1 3.97Å; I74-I82 HydrophobicContact CG2-CG1 3.76Å; I74-I82 HydrophobicContact CG2-CG2 3.56Å; I74-F84 WeakPolarHBondContact CA-O 3.37Å
75	I	95.1	Very high	90.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.3	169.7	-59.6	158.4	0	0	0	109.1	L65 L66 Y73 V83 F84 Y130 V252 V254	L65-I75 CarbonylContact O-C 3.58Å; L65-I75 WeakPolarHBondContact O-CA 3.18Å; L66-I75 HydrophobicContact CD1-CG1 4.07Å; Y73-I75 HydrophobicContact CD2-CD1 4.43Å; Y73-I75 HydrophobicContact CD2-CG1 4.19Å; Y73-I75 HydrophobicContact CE2-CD1 3.93Å; Y73-I75 HydrophobicContact CE2-CG1 4.19Å; I75-V83 HydrophobicContact CG2-CG2 4.19Å; I75-V83 PolarHBondContact O-N 2.82Å; I75-F84 HydrophobicContact CB-CB 4.04Å; I75-F84 HydrophobicContact CD1-CB 4.28Å; I75-F84 HydrophobicContact CD1-CD1 3.91Å; I75-F84 HydrophobicContact CD1-CG 4.39Å; I75-F84 PolarHBondContact N-O 3Å; I75-F84 PolarHBondContact O-N 2.86Å; I75-Y130 HydrophobicContact CB-CE2 4.32Å; I75-Y130 HydrophobicContact CD1-CD2 3.36Å; I75-Y130 HydrophobicContact CD1-CE2 3.73Å; I75-Y130 HydrophobicContact CD1-CG 3.92Å; I75-Y130 HydrophobicContact CG1-CD2 3.92Å; I75-Y130 HydrophobicContact CG1-CE2 3.84Å; I75-Y130 HydrophobicContact CG1-CG 4.37Å; I75-Y130 HydrophobicContact CG2-CD2 4.28Å; I75-Y130 HydrophobicContact CG2-CE2 3.47Å; I75-Y130 VanDerWaalsContact CG2-CE2 3.47Å; I75-V252 HydrophobicContact CD1-CB 3.91Å; I75-V252 HydrophobicContact CD1-CG1 3.67Å; I75-V254 HydrophobicContact CG2-CG2 3.88Å
76	R	92.2	Very high	91.4	Very high	82 Å²	82	44.5 Å²	44.5	31%	0.309	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	151.7	174.1	-62.8	174.3	-176.6	-85.1	-1.6	110.5	L65 G80 A81 I82	L65-R76 HydrophobicContact CD2-CB 4.42Å; L65-R76 PolarHBondContact O-N 3.49Å; R76-G80 WeakPolarHBondContact CD-O 3.21Å; R76-G80 PolarHBondContact NH1-O 2.88Å; R76-A81 CarbonylContact C-O 3.57Å; R76-A81 WeakPolarHBondContact CA-O 3.4Å; R76-I82 HydrophobicContact CG-CG1 4.33Å
77	N	87.1	Confident	91.7	Very high	51 Å²	51	46.5 Å²	46.5	27%	0.273	26%	0.256	S	S	.	.			trans	-81.6	175.1	165.3	69.5	7.8	0	0	0	110.9	L65 A79 G80 A81 V83	L65-N77 WeakPolarHBondContact CD2-O 3.38Å; N77-A79 PolarHBondContact O-N 3.15Å; N77-A79 VanDerWaalsContact O-N 3.11Å; N77-A79 WeakPolarHBondContact OD1-CB 3.5Å; N77-A79 PolarHBondContact OD1-N 2.84Å; N77-A79 VanDerWaalsContact OD1-N 3.13Å; N77-G80 WeakPolarHBondContact O-CA 3.4Å; N77-G80 PolarHBondContact O-N 2.9Å; N77-G80 PolarHBondContact OD1-N 2.93Å; N77-A81 PolarHBondContact N-O 3.45Å; N77-A81 WeakPolarHBondContact OD1-CB 3.35Å; N77-A81 PolarHBondContact OD1-N 3.41Å; N77-A81 PolarHBondContact OD1-O 3.5Å; N77-V83 HydrophobicContact CB-CG1 3.84Å
78	Q	83.2	Confident	91.9	Very high	157 Å²	157	45.6 Å²	45.6	73%	0.734	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.2	179.8	-66.4	179.9	-11.6	0	0	114	G80	Q78-G80 VanDerWaalsContact C-N 3.26Å; Q78-G80 PolarHBondContact O-N 3.39Å
79	A	84.1	Confident	92	Very high	92 Å²	92	51.3 Å²	51.3	76%	0.76	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	5.7	172.6	0	0	0	0	0	113.4	N77 A81	N77-A79 PolarHBondContact O-N 3.15Å; N77-A79 VanDerWaalsContact O-N 3.11Å; N77-A79 WeakPolarHBondContact OD1-CB 3.5Å; N77-A79 PolarHBondContact OD1-N 2.84Å; N77-A79 VanDerWaalsContact OD1-N 3.13Å; A79-A81 PolarHBondContact O-N 2.87Å
80	G	84.9	Confident	91.8	Very high	33 Å²	33	49.2 Å²	49.2	34%	0.34	26%	0.261	S	S	.	.	S	Bend	trans	76.8	-2.4	-179.2	0	0	0	0	0	115	R76 N77 Q78	R76-G80 WeakPolarHBondContact CD-O 3.21Å; R76-G80 PolarHBondContact NH1-O 2.88Å; N77-G80 WeakPolarHBondContact O-CA 3.4Å; N77-G80 PolarHBondContact O-N 2.9Å; N77-G80 PolarHBondContact OD1-N 2.93Å; Q78-G80 VanDerWaalsContact C-N 3.26Å; Q78-G80 PolarHBondContact O-N 3.39Å
81	A	89.8	Confident	91.6	Very high	50 Å²	50	45 Å²	45	41%	0.413	25%	0.248	S	C	.	.			trans	-72.1	141.5	178.9	0	0	0	0	0	110.9	R76 N77 A79 V83	R76-A81 CarbonylContact C-O 3.57Å; R76-A81 WeakPolarHBondContact CA-O 3.4Å; N77-A81 PolarHBondContact N-O 3.45Å; N77-A81 WeakPolarHBondContact OD1-CB 3.35Å; N77-A81 PolarHBondContact OD1-N 3.41Å; N77-A81 PolarHBondContact OD1-O 3.5Å; A79-A81 PolarHBondContact O-N 2.87Å; A81-V83 PolarHBondContact O-N 3.49Å
82	I	93	Very high	91.3	Very high	54 Å²	54	44.3 Å²	44.3	28%	0.277	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	116.9	178.1	-64	174.9	0	0	0	108.9	I74 R76	I74-I82 HydrophobicContact CG2-CB 4.2Å; I74-I82 HydrophobicContact CG2-CD1 3.97Å; I74-I82 HydrophobicContact CG2-CG1 3.76Å; I74-I82 HydrophobicContact CG2-CG2 3.56Å; R76-I82 HydrophobicContact CG-CG1 4.33Å
83	V	94.2	Very high	91	Very high	8 Å²	8	44.5 Å²	44.5	5%	0.048	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-19.5	177.3	-65.9	0	0	0	0	112.9	I75 N77 A81 N202 V254	I75-V83 HydrophobicContact CG2-CG2 4.19Å; I75-V83 PolarHBondContact O-N 2.82Å; N77-V83 HydrophobicContact CB-CG1 3.84Å; A81-V83 PolarHBondContact O-N 3.49Å; V83-N202 HydrophobicContact CG1-CB 4.42Å; V83-N202 PolarHBondContact O-ND2 3.23Å; V83-V254 HydrophobicContact CG2-CG1 4.27Å; V83-V254 HydrophobicContact CG2-CG2 4Å
84	F	96.1	Very high	90.6	Very high	5 Å²	5	46.3 Å²	46.3	2%	0.022	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	142.9	-179	-168.1	-103.9	0	0	0	112.4	Y73 I74 I75 M86 M147 W154 T204 I206 V252	Y73-F84 AromaticContact CE2-CD1 3.97Å; Y73-F84 HydrophobicContact CE2-CD1 3.97Å; Y73-F84 AromaticContact CE2-CE1 3.91Å; Y73-F84 HydrophobicContact CE2-CE1 3.91Å; I74-F84 WeakPolarHBondContact CA-O 3.37Å; I75-F84 HydrophobicContact CB-CB 4.04Å; I75-F84 HydrophobicContact CD1-CB 4.28Å; I75-F84 HydrophobicContact CD1-CD1 3.91Å; I75-F84 HydrophobicContact CD1-CG 4.39Å; I75-F84 PolarHBondContact N-O 3Å; I75-F84 PolarHBondContact O-N 2.86Å; F84-M86 HydrophobicContact CD1-CB 4.49Å; F84-M86 HydrophobicContact CE1-CB 3.82Å; F84-M86 HydrophobicContact CE1-CE 3.82Å; F84-M86 HydrophobicContact CZ-CE 3.45Å; F84-M86 VanDerWaalsContact CZ-CE 3.45Å; F84-M147 HydrophobicContact CE2-CG 3.67Å; F84-M147 HydrophobicContact CE2-SD 3.65Å; F84-M147 HydrophobicContact CZ-CG 3.89Å; F84-M147 HydrophobicContact CZ-SD 4.2Å; F84-W154 HydrophobicContact CD2-CH2 4.16Å; F84-W154 HydrophobicContact CD2-CZ2 4.47Å; F84-W154 HydrophobicContact CE2-CH2 4.08Å; F84-T204 HydrophobicContact CB-CG2 4.39Å; F84-T204 HydrophobicContact CD2-CG2 3.91Å; F84-T204 HydrophobicContact CG-CG2 4.43Å; F84-I206 HydrophobicContact CE2-CD1 3.65Å; F84-I206 HydrophobicContact CE2-CG1 4.09Å; F84-I206 HydrophobicContact CZ-CD1 4.09Å; F84-I206 HydrophobicContact CZ-CG1 4.49Å; F84-V252 HydrophobicContact CD1-CG1 3.98Å; F84-V252 HydrophobicContact CD1-CG2 4.27Å; F84-V252 HydrophobicContact CD2-CG1 4.02Å; F84-V252 HydrophobicContact CE1-CB 4.38Å; F84-V252 HydrophobicContact CE1-CG1 4.05Å; F84-V252 HydrophobicContact CE1-CG2 3.58Å; F84-V252 HydrophobicContact CE2-CG1 4.1Å; F84-V252 HydrophobicContact CE2-CG2 4.36Å; F84-V252 HydrophobicContact CG-CG1 3.93Å; F84-V252 HydrophobicContact CZ-CG1 4.08Å; F84-V252 HydrophobicContact CZ-CG2 3.6Å
85	R	96.6	Very high	90.1	Very high	101 Å²	101	48 Å²	48	38%	0.381	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	129.1	175.7	179.3	-178.1	-63.3	-85	-1	109.8	T148	R85-T148 PolarHBondContact O-N 2.73Å
86	M	97	Very high	89.5	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.3	175.5	-174.1	66.6	65.8	0	0	109.9	G72 Y73 F84 H145 A146 M147 F227 Y250	G72-M86 CarbonylContact C-O 3.57Å; G72-M86 WeakPolarHBondContact CA-O 3.4Å; Y73-M86 HydrophobicContact CD1-CB 4.1Å; Y73-M86 HydrophobicContact CD1-CG 4.5Å; Y73-M86 HydrophobicContact CE1-CB 3.6Å; Y73-M86 HydrophobicContact CE1-CG 3.76Å; Y73-M86 HydrophobicContact CE2-CB 4.2Å; Y73-M86 PolarHBondContact N-O 2.86Å; Y73-M86 PolarHBondContact O-N 3.31Å; F84-M86 HydrophobicContact CD1-CB 4.49Å; F84-M86 HydrophobicContact CE1-CB 3.82Å; F84-M86 HydrophobicContact CE1-CE 3.82Å; F84-M86 HydrophobicContact CZ-CE 3.45Å; F84-M86 VanDerWaalsContact CZ-CE 3.45Å; M86-H145 HydrophobicContact CG-CB 3.89Å; M86-H145 HydrophobicContact SD-CB 3.36Å; M86-H145 WeakPolarHBondContact SD-CB 3.21Å; M86-A146 WeakPolarHBondContact CA-O 3.47Å; M86-A146 VanDerWaalsContact SD-C 3.54Å; M86-M147 HydrophobicContact CE-CB 3.65Å; M86-M147 HydrophobicContact CE-CG 3.87Å; M86-M147 HydrophobicContact SD-CB 4.07Å; M86-F227 HydrophobicContact CE-CD2 3.85Å; M86-F227 HydrophobicContact CE-CE2 3.92Å; M86-Y250 HydrophobicContact CE-CE2 4.14Å
87	S	96.8	Very high	89.2	Confident	47 Å²	47	49 Å²	49	33%	0.329	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.3	176.3	-56.7	0	0	0	0	110.7	D71 H145 A146	D71-S87 CarbonylContact O-C 3.31Å; D71-S87 WeakPolarHBondContact O-CA 3.44Å; S87-H145 CarbonylContact O-C 3.49Å; S87-H145 VanDerWaalsContact O-CA 3.24Å; S87-H145 WeakPolarHBondContact O-CA 3.45Å; S87-H145 WeakPolarHBondContact O-CB 3.48Å; S87-A146 PolarHBondContact N-O 3.07Å; S87-A146 PolarHBondContact O-N 3.27Å
88	F	94.9	Very high	89.2	Confident	16 Å²	16	47.7 Å²	47.7	7%	0.07	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.8	175.6	-51.1	-43	0	0	0	109.9	L68 D71 G72 Y73 G91 L93 F117 W134 H145	L68-F88 HydrophobicContact CD1-CE2 4.13Å; L68-F88 HydrophobicContact CD1-CZ 4Å; D71-F88 VanDerWaalsContact C-CD2 3.43Å; D71-F88 PolarHBondContact O-N 3.43Å; G72-F88 VanDerWaalsContact CA-CE2 3.45Å; Y73-F88 AromaticContact CD1-CE1 3.96Å; Y73-F88 HydrophobicContact CD1-CE1 3.96Å; Y73-F88 AromaticContact CD1-CZ 3.91Å; Y73-F88 HydrophobicContact CD1-CZ 3.91Å; Y73-F88 HydrophobicContact CE1-CE1 4.17Å; F88-G91 WeakPolarHBondContact CB-O 3.37Å; F88-L93 HydrophobicContact CD2-CG 4.25Å; F88-L93 HydrophobicContact CE2-CD1 3.66Å; F88-L93 HydrophobicContact CE2-CG 3.86Å; F88-L93 HydrophobicContact CZ-CD1 4.27Å; F88-F117 AromaticContact CE1-CE2 3.98Å; F88-F117 HydrophobicContact CE1-CE2 3.98Å; F88-F117 HydrophobicContact CE1-CZ 4.5Å; F88-F117 HydrophobicContact CZ-CD2 4.43Å; F88-F117 AromaticContact CZ-CE2 3.71Å; F88-F117 HydrophobicContact CZ-CE2 3.71Å; F88-F117 AromaticContact CZ-CZ 3.87Å; F88-F117 HydrophobicContact CZ-CZ 3.87Å; F88-W134 HydrophobicContact CB-CH2 3.93Å; F88-W134 HydrophobicContact CB-CZ3 3.87Å; F88-W134 AromaticContact CD1-CE3 3.93Å; F88-W134 HydrophobicContact CD1-CE3 3.93Å; F88-W134 HydrophobicContact CD1-CH2 4.49Å; F88-W134 AromaticContact CD1-CZ3 3.59Å; F88-W134 HydrophobicContact CD1-CZ3 3.59Å; F88-W134 HydrophobicContact CD2-CH2 4.02Å; F88-W134 AromaticContact CD2-CZ3 3.48Å; F88-W134 HydrophobicContact CD2-CZ3 3.48Å; F88-W134 VanDerWaalsContact CD2-CZ3 3.48Å; F88-W134 HydrophobicContact CE1-CE3 4.06Å; F88-W134 AromaticContact CE1-CZ3 3.9Å; F88-W134 HydrophobicContact CE1-CZ3 3.9Å; F88-W134 AromaticContact CE2-CZ3 3.81Å; F88-W134 HydrophobicContact CE2-CZ3 3.81Å; F88-W134 HydrophobicContact CG-CE3 4.17Å; F88-W134 AromaticContact CG-CH2 3.91Å; F88-W134 HydrophobicContact CG-CH2 3.91Å; F88-W134 AromaticContact CG-CZ3 3.36Å; F88-W134 HydrophobicContact CG-CZ3 3.36Å; F88-W134 HydrophobicContact CZ-CE3 4.42Å; F88-W134 HydrophobicContact CZ-CZ3 4Å; F88-H145 AromaticContact CD1-CD2 3.56Å; F88-H145 AromaticContact CD1-NE2 3.59Å; F88-H145 AromaticContact CE1-NE2 4Å
89	R	93.1	Very high	89.4	Confident	124 Å²	124	42.9 Å²	42.9	47%	0.468	26%	0.259	S	S	.	.	S	Bend	trans	-110.6	-23.8	179.3	-72.6	177	58.2	122.1	-5.9	113.2	G91 E144 A146 E222	R89-G91 PolarHBondContact O-N 2.71Å; R89-E144 HydrophobicContact CB-CB 4.18Å; R89-E144 HydrophobicContact CB-CG 4.04Å; R89-E144 WeakPolarHBondContact CD-OE1 3.15Å; R89-E144 IonicContact CZ-OE1 2.82Å; R89-E144 PolarHBondContact N-O 2.86Å; R89-E144 IonicContact NE-OE1 3.98Å; R89-E144 PolarHBondContact NE-OE1 3.17Å; R89-E144 IonicContact NH2-OE1 3.43Å; R89-A146 VanDerWaalsContact CD-CB 3.46Å; R89-A146 HydrophobicContact CG-CB 4.15Å; R89-E222 IonicContact NH1-OE2 3.63Å
90	S	86.1	Confident	89.5	Confident	12 Å²	12	42.5 Å²	42.5	8%	0.084	24%	0.24	C	C	.	.	S	Bend	trans	-77.4	2	173.3	-72.8	0	0	0	0	115.2	R113 P142 V143 E144	S90-R113 PolarHBondContact O-NH1 3.42Å; S90-R113 PolarHBondContact O-NH2 3.02Å; S90-P142 WeakPolarHBondContact CB-O 3.44Å; S90-P142 PolarHBondContact OG-O 2.77Å; S90-V143 VanDerWaalsContact OG-CA 3.32Å; S90-V143 WeakPolarHBondContact OG-CA 3.44Å; S90-E144 PolarHBondContact N-O 3.29Å; S90-E144 PolarHBondContact OG-N 3.38Å
91	G	83.3	Confident	89.6	Confident	18 Å²	18	48.1 Å²	48.1	19%	0.186	26%	0.257	C	S	.	.			trans	143.6	-175.9	175	0	0	0	0	0	112.6	F88 R89	F88-G91 WeakPolarHBondContact CB-O 3.37Å; R89-G91 PolarHBondContact O-N 2.71Å
92	T	85.6	Confident	89.4	Confident	57 Å²	57	48.4 Å²	48.4	35%	0.35	27%	0.265	S	S	.	.			trans	-109.2	148.7	-179.4	66	0	0	0	0	111.1	K70 D71	K70-T92 CarbonylContact O-C 3.59Å; K70-T92 WeakPolarHBondContact O-CA 3.1Å; K70-T92 WeakPolarHBondContact O-CB 3.34Å; D71-T92 WeakPolarHBondContact OD1-CG2 3.08Å
93	L	87.6	Confident	89.1	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.031	28%	0.277	C	S	.	.			trans	-72	144.3	171.1	-59.2	180	0	0	0	111.1	L68 K70 F88 L95 C107 L115 F117 W134	L68-L93 HydrophobicContact CD1-CD1 3.96Å; L68-L93 HydrophobicContact CD2-CD1 4.25Å; L68-L93 HydrophobicContact CG-CD1 4.37Å; K70-L93 PolarHBondContact O-N 2.64Å; F88-L93 HydrophobicContact CD2-CG 4.25Å; F88-L93 HydrophobicContact CE2-CD1 3.66Å; F88-L93 HydrophobicContact CE2-CG 3.86Å; F88-L93 HydrophobicContact CZ-CD1 4.27Å; L93-L95 HydrophobicContact CB-CD2 4.07Å; L93-L95 PolarHBondContact O-N 3.13Å; L93-C107 HydrophobicContact CB-CB 4.45Å; L93-C107 HydrophobicContact CD1-CB 4.18Å; L93-C107 HydrophobicContact CD2-CB 4.24Å; L93-L115 HydrophobicContact CD2-CD1 3.97Å; L93-F117 HydrophobicContact CD1-CD1 3.71Å; L93-F117 HydrophobicContact CD1-CE1 3.97Å; L93-F117 HydrophobicContact CD1-CG 4.1Å; L93-F117 HydrophobicContact CD2-CB 3.54Å; L93-F117 HydrophobicContact CD2-CD1 4.18Å; L93-F117 HydrophobicContact CD2-CD2 4.37Å; L93-F117 HydrophobicContact CD2-CG 3.78Å; L93-W134 HydrophobicContact CD2-CE3 4.26Å; L93-W134 HydrophobicContact CD2-CH2 3.76Å; L93-W134 HydrophobicContact CD2-CZ3 3.51Å; L93-W134 HydrophobicContact CG-CH2 4.37Å; L93-W134 HydrophobicContact CG-CZ3 4.11Å
94	D	87.4	Confident	88.8	Confident	39 Å²	39	53.9 Å²	53.9	21%	0.209	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	97.9	164.2	176.8	-1.2	0	0	0	108.5	D96 S97 G108 T110	D94-D96 PolarHBondContact O-N 2.92Å; D94-D96 WeakPolarHBondContact OD1-CB 3.3Å; D94-D96 PolarHBondContact OD1-N 3.48Å; D94-S97 WeakPolarHBondContact O-CB 3.35Å; D94-S97 PolarHBondContact O-N 2.99Å; D94-S97 PolarHBondContact O-OG 3.47Å; D94-S97 PolarHBondContact OD1-N 2.9Å; D94-G108 PolarHBondContact N-O 2.87Å; D94-G108 VanDerWaalsContact N-O 3.08Å; D94-T110 WeakPolarHBondContact OD2-CB 3.28Å; D94-T110 WeakPolarHBondContact OD2-CG2 3.18Å; D94-T110 PolarHBondContact OD2-OG1 2.94Å
95	L	83.9	Confident	88.6	Confident	55 Å²	55	54.2 Å²	54.2	29%	0.288	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-22.2	-177.6	-59.6	-171.5	0	0	0	113.3	L61 K70 L93 S97 C98	L61-L95 HydrophobicContact CD1-CB 4.21Å; L61-L95 HydrophobicContact CD1-CD1 4.06Å; L61-L95 HydrophobicContact CD1-CD2 3.81Å; L61-L95 HydrophobicContact CD1-CG 4.23Å; K70-L95 HydrophobicContact CB-CD1 4.01Å; K70-L95 HydrophobicContact CB-CD2 4.16Å; K70-L95 HydrophobicContact CB-CG 3.9Å; L93-L95 HydrophobicContact CB-CD2 4.07Å; L93-L95 PolarHBondContact O-N 3.13Å; L95-S97 VanDerWaalsContact C-N 3.27Å; L95-C98 PolarHBondContact O-N 2.85Å
96	D	83.4	Confident	88.4	Confident	60 Å²	60	51.6 Å²	51.6	32%	0.321	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-23	175	-99.3	-38.1	0	0	0	112	Y50 K57 D94	Y50-D96 PolarHBondContact OH-OD2 3.39Å; K57-D96 PolarHBondContact NZ-O 2.89Å; K57-D96 IonicContact NZ-OD1 2.71Å; K57-D96 PolarHBondContact NZ-OD1 2.56Å; D94-D96 PolarHBondContact O-N 2.92Å; D94-D96 WeakPolarHBondContact OD1-CB 3.3Å; D94-D96 PolarHBondContact OD1-N 3.48Å
97	S	86.3	Confident	88	Confident	44 Å²	44	51.9 Å²	51.9	31%	0.308	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-7.7	175	78.5	0	0	0	0	114.6	D94 L95 G108	D94-S97 WeakPolarHBondContact O-CB 3.35Å; D94-S97 PolarHBondContact O-N 2.99Å; D94-S97 PolarHBondContact O-OG 3.47Å; D94-S97 PolarHBondContact OD1-N 2.9Å; L95-S97 VanDerWaalsContact C-N 3.27Å; S97-G108 WeakPolarHBondContact OG-CA 3.33Å; S97-G108 PolarHBondContact OG-N 2.98Å; S97-G108 PolarHBondContact OG-O 3.43Å
98	C	87	Confident	87.4	Confident	23 Å²	23	50.5 Å²	50.5	16%	0.155	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	139.7	-174.4	-62.1	0	0	0	0	113	L61 L95 S106 C107	L61-C98 HydrophobicContact CD2-CB 3.73Å; L95-C98 PolarHBondContact O-N 2.85Å; C98-S106 CarbonylContact C-O 3.52Å; C98-S106 WeakPolarHBondContact CA-O 3.41Å; C98-C107 HydrophobicContact CB-CB 4.14Å; C98-C107 WeakPolarHBondContact CB-SG 3.19Å; C98-C107 WeakPolarHBondContact SG-CB 3.45Å; C98-C107 CovalentContact SG-SG 2.03Å; C98-C107 PolarHBondContact SG-SG 2.86Å
99	S	87.7	Confident	86.6	Confident	55 Å²	55	52.9 Å²	52.9	39%	0.385	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	156.2	170.5	67.4	0	0	0	0	111.1	L105 S106	S99-L105 WeakPolarHBondContact O-CA 3.44Å; S99-S106 PolarHBondContact N-O 3.46Å; S99-S106 PolarHBondContact O-N 2.74Å
100	K	85.4	Confident	85	Confident	85 Å²	85	52.4 Å²	52.4	37%	0.37	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	119.7	173.2	-174.3	178.1	-179.8	179.7	0	109.7	G102 I104	K100-G102 VanDerWaalsContact CE-O 3.22Å; K100-G102 WeakPolarHBondContact CE-O 3.44Å; K100-I104 CarbonylContact C-O 3.58Å; K100-I104 WeakPolarHBondContact CA-O 3.35Å
101	E	86.2	Confident	84	Confident	150 Å²	150	54 Å²	54	70%	0.701	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	99.1	178.4	-71.4	179.3	-159	0	0	108.4	E103 I104	E101-E103 PolarHBondContact O-N 3.2Å; E101-I104 PolarHBondContact N-O 3.09Å; E101-I104 PolarHBondContact O-N 3.49Å; E101-I104 VanDerWaalsContact O-N 3.08Å
102	G	85.8	Confident	83	Confident	57 Å²	57	59.8 Å²	59.8	59%	0.588	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	-123	-170.3	0	0	0	0	0	111.8	K100 I104	K100-G102 VanDerWaalsContact CE-O 3.22Å; K100-G102 WeakPolarHBondContact CE-O 3.44Å; G102-I104 VanDerWaalsContact C-N 3.3Å
103	E	86.2	Confident	82.5	Confident	113 Å²	113	59.8 Å²	59.8	53%	0.528	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	1.1	179	-60.2	-51.1	129.4	0	0	114.3	E101 Q120 T121	E101-E103 PolarHBondContact O-N 3.2Å; E103-Q120 WeakPolarHBondContact O-CA 3.3Å; E103-T121 WeakPolarHBondContact CB-O 3.34Å; E103-T121 PolarHBondContact O-N 2.91Å
104	I	89.4	Confident	82.2	Confident	64 Å²	64	65.9 Å²	65.9	33%	0.328	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.7	-179.2	-56.3	174.3	0	0	0	109.3	K100 E101 G102 Q120	K100-I104 CarbonylContact C-O 3.58Å; K100-I104 WeakPolarHBondContact CA-O 3.35Å; E101-I104 PolarHBondContact N-O 3.09Å; E101-I104 PolarHBondContact O-N 3.49Å; E101-I104 VanDerWaalsContact O-N 3.08Å; G102-I104 VanDerWaalsContact C-N 3.3Å; I104-Q120 HydrophobicContact CG1-CB 4.16Å; I104-Q120 HydrophobicContact CG1-CG 3.86Å
105	L	90.8	Very high	82.3	Confident	12 Å²	12	64.3 Å²	64.3	6%	0.063	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.3	169.2	-169.9	176.3	0	0	0	107.5	L61 L68 S99 C107 F118 I119	L61-L105 HydrophobicContact CD2-CD1 3.8Å; L61-L105 HydrophobicContact CD2-CD2 3.81Å; L61-L105 HydrophobicContact CD2-CG 4.05Å; L68-L105 HydrophobicContact CB-CD1 4.41Å; L68-L105 HydrophobicContact CD2-CD1 3.62Å; L68-L105 HydrophobicContact CD2-CD2 3.41Å; L68-L105 VanDerWaalsContact CD2-CD2 3.41Å; L68-L105 HydrophobicContact CD2-CG 4.17Å; S99-L105 WeakPolarHBondContact O-CA 3.44Å; L105-C107 WeakPolarHBondContact CD2-SG 3.35Å; L105-F118 WeakPolarHBondContact O-CA 3.44Å; L105-I119 HydrophobicContact CB-CG2 3.85Å; L105-I119 HydrophobicContact CD1-CG2 4.26Å; L105-I119 HydrophobicContact CD2-CG2 4.43Å; L105-I119 HydrophobicContact CG-CG2 4.42Å; L105-I119 PolarHBondContact N-O 2.7Å; L105-I119 PolarHBondContact O-N 3.42Å
106	S	91.8	Very high	82.7	Confident	45 Å²	45	67 Å²	67	32%	0.315	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.1	178.7	-60.1	0	0	0	0	110.5	C98 S99 F117	C98-S106 CarbonylContact C-O 3.52Å; C98-S106 WeakPolarHBondContact CA-O 3.41Å; S99-S106 PolarHBondContact N-O 3.46Å; S99-S106 PolarHBondContact O-N 2.74Å; S106-F117 CarbonylContact C-O 3.53Å; S106-F117 WeakPolarHBondContact CA-O 3.36Å
107	C	90	Very high	83.2	Confident	8 Å²	8	64.3 Å²	64.3	5%	0.054	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154.4	175.4	-58.7	0	0	0	0	110.2	L93 C98 L105 F117	L93-C107 HydrophobicContact CB-CB 4.45Å; L93-C107 HydrophobicContact CD1-CB 4.18Å; L93-C107 HydrophobicContact CD2-CB 4.24Å; C98-C107 HydrophobicContact CB-CB 4.14Å; C98-C107 WeakPolarHBondContact CB-SG 3.19Å; C98-C107 WeakPolarHBondContact SG-CB 3.45Å; C98-C107 CovalentContact SG-SG 2.03Å; C98-C107 PolarHBondContact SG-SG 2.86Å; L105-C107 WeakPolarHBondContact CD2-SG 3.35Å; C107-F117 HydrophobicContact CB-CB 4.33Å; C107-F117 HydrophobicContact CB-CD1 4.16Å; C107-F117 PolarHBondContact N-O 2.81Å; C107-F117 PolarHBondContact O-N 3.16Å
108	G	84.4	Confident	83.5	Confident	18 Å²	18	65 Å²	65	19%	0.186	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	-166.4	171.1	0	0	0	0	0	112.9	D94 S97 L115	D94-G108 PolarHBondContact N-O 2.87Å; D94-G108 VanDerWaalsContact N-O 3.08Å; S97-G108 WeakPolarHBondContact OG-CA 3.33Å; S97-G108 PolarHBondContact OG-N 2.98Å; S97-G108 PolarHBondContact OG-O 3.43Å; G108-L115 WeakPolarHBondContact CA-O 3.49Å
109	R	77.1	Confident	83.9	Confident	66 Å²	66	64 Å²	64	25%	0.249	34%	0.339	C	S	.	.			trans	-137.9	128.2	159.7	-178.7	171.9	169.3	163.3	-0.9	108.2	S111 R113 L115	R109-S111 PolarHBondContact NE-OG 3.15Å; R109-R113 WeakPolarHBondContact CD-O 3.38Å; R109-L115 HydrophobicContact CB-CD2 3.59Å; R109-L115 HydrophobicContact CB-CG 3.65Å; R109-L115 HydrophobicContact CG-CD2 4.36Å
110	T	60	Low	84.2	Confident	114 Å²	114	63.7 Å²	63.7	70%	0.699	33%	0.332	S	S	*	.			trans	-91.5	-3.4	-170.8	49.5	0	0	0	0	114.3	D94	D94-T110 WeakPolarHBondContact OD2-CB 3.28Å; D94-T110 WeakPolarHBondContact OD2-CG2 3.18Å; D94-T110 PolarHBondContact OD2-OG1 2.94Å
111	S	65.1	Low	84.6	Confident	45 Å²	45	60.3 Å²	60.3	32%	0.315	32%	0.318	S	S	.	.	S	Bend	trans	-82.1	-177.7	177	83.1	0	0	0	0	113.1	R109 R113	R109-S111 PolarHBondContact NE-OG 3.15Å; S111-R113 PolarHBondContact O-N 3.45Å; S111-R113 VanDerWaalsContact O-N 3.17Å
112	D	62	Low	84.8	Confident	140 Å²	140	54.8 Å²	54.8	75%	0.749	29%	0.294	S	S	*	.	S	Bend	trans	-34.3	-47.1	166.5	58.9	-19.2	0	0	0	115.5	K114	D112-K114 PolarHBondContact O-N 3.11Å
113	R	74.9	Confident	85	Confident	56 Å²	56	58.3 Å²	58.3	21%	0.211	29%	0.294	C	S	.	.	S	Bend	trans	-89.5	81.9	178.5	-169.6	174.4	179.4	170.1	2	110.7	S90 R109 S111 E136 V138 L141 P142	S90-R113 PolarHBondContact O-NH1 3.42Å; S90-R113 PolarHBondContact O-NH2 3.02Å; R109-R113 WeakPolarHBondContact CD-O 3.38Å; S111-R113 PolarHBondContact O-N 3.45Å; S111-R113 VanDerWaalsContact O-N 3.17Å; R113-E136 IonicContact CZ-OE2 3.71Å; R113-E136 IonicContact NE-OE1 3.15Å; R113-E136 IonicContact NE-OE2 2.64Å; R113-E136 PolarHBondContact NE-OE2 3.27Å; R113-E136 IonicContact NH2-OE2 2.81Å; R113-E136 PolarHBondContact NH2-OE2 3.22Å; R113-V138 HydrophobicContact CG-CG2 4.4Å; R113-L141 HydrophobicContact CG-CD1 4.41Å; R113-P142 PolarHBondContact NH2-O 3.03Å
114	K	81.8	Confident	85	Confident	134 Å²	134	55.7 Å²	55.7	58%	0.583	28%	0.283	S	S	*	.			trans	-71.2	130.3	178.4	-59.3	-177	-179.7	179.3	0	110.9	D112 L137	D112-K114 PolarHBondContact O-N 3.11Å; K114-L137 HydrophobicContact CB-CB 4.38Å; K114-L137 HydrophobicContact CB-CD1 3.93Å; K114-L137 VanDerWaalsContact O-CB 3.24Å; K114-L137 WeakPolarHBondContact O-CB 3.46Å; K114-L137 WeakPolarHBondContact O-CG 3.35Å; K114-L137 PolarHBondContact O-N 3.26Å; K114-L137 VanDerWaalsContact O-N 3.15Å
115	L	88.6	Confident	84.6	Confident	7 Å²	7	59.1 Å²	59.1	4%	0.037	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.3	175.1	68.6	94.5	0	0	0	110.9	L93 G108 R109 F117 W134 E135	L93-L115 HydrophobicContact CD2-CD1 3.97Å; G108-L115 WeakPolarHBondContact CA-O 3.49Å; R109-L115 HydrophobicContact CB-CD2 3.59Å; R109-L115 HydrophobicContact CB-CG 3.65Å; R109-L115 HydrophobicContact CG-CD2 4.36Å; L115-F117 HydrophobicContact CD1-CB 4.11Å; L115-W134 HydrophobicContact CD1-CZ2 4.14Å; L115-W134 HydrophobicContact CD2-CH2 4.32Å; L115-W134 HydrophobicContact CD2-CZ2 3.55Å; L115-W134 HydrophobicContact CG-CZ2 4.41Å; L115-E135 WeakPolarHBondContact CA-O 3.49Å
116	K	92	Very high	84.4	Confident	110 Å²	110	62.3 Å²	62.3	48%	0.478	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.4	165.8	-54.8	174.1	-165.7	143.8	0	109.4	E135 L137	K116-E135 HydrophobicContact CB-CB 4.31Å; K116-E135 PolarHBondContact N-O 3.28Å; K116-E135 IonicContact NZ-OE1 2.74Å; K116-E135 PolarHBondContact NZ-OE1 2.74Å; K116-E135 IonicContact NZ-OE2 3.63Å; K116-E135 PolarHBondContact O-N 3.32Å; K116-L137 HydrophobicContact CG-CD1 4.38Å
117	F	93.9	Very high	84.5	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.018	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.5	171.7	174.8	-99.6	0	0	0	109.4	L68 F88 L93 S106 C107 L115 I119 V132 R133 W134	L68-F117 HydrophobicContact CD1-CE1 3.94Å; L68-F117 HydrophobicContact CD1-CZ 4.01Å; L68-F117 HydrophobicContact CD2-CD1 4.5Å; L68-F117 HydrophobicContact CD2-CE1 3.73Å; F88-F117 AromaticContact CE1-CE2 3.98Å; F88-F117 HydrophobicContact CE1-CE2 3.98Å; F88-F117 HydrophobicContact CE1-CZ 4.5Å; F88-F117 HydrophobicContact CZ-CD2 4.43Å; F88-F117 AromaticContact CZ-CE2 3.71Å; F88-F117 HydrophobicContact CZ-CE2 3.71Å; F88-F117 AromaticContact CZ-CZ 3.87Å; F88-F117 HydrophobicContact CZ-CZ 3.87Å; L93-F117 HydrophobicContact CD1-CD1 3.71Å; L93-F117 HydrophobicContact CD1-CE1 3.97Å; L93-F117 HydrophobicContact CD1-CG 4.1Å; L93-F117 HydrophobicContact CD2-CB 3.54Å; L93-F117 HydrophobicContact CD2-CD1 4.18Å; L93-F117 HydrophobicContact CD2-CD2 4.37Å; L93-F117 HydrophobicContact CD2-CG 3.78Å; S106-F117 CarbonylContact C-O 3.53Å; S106-F117 WeakPolarHBondContact CA-O 3.36Å; C107-F117 HydrophobicContact CB-CB 4.33Å; C107-F117 HydrophobicContact CB-CD1 4.16Å; C107-F117 PolarHBondContact N-O 2.81Å; C107-F117 PolarHBondContact O-N 3.16Å; L115-F117 HydrophobicContact CD1-CB 4.11Å; F117-I119 HydrophobicContact CE1-CB 4.03Å; F117-I119 HydrophobicContact CE1-CG2 3.8Å; F117-I119 HydrophobicContact CZ-CB 3.94Å; F117-I119 HydrophobicContact CZ-CG2 4.13Å; F117-V132 HydrophobicContact CE2-CG1 3.66Å; F117-V132 HydrophobicContact CZ-CG1 4.2Å; F117-R133 WeakPolarHBondContact CA-O 3.07Å; F117-W134 HydrophobicContact CB-CE3 4.48Å; F117-W134 HydrophobicContact CD2-CB 4.43Å; F117-W134 HydrophobicContact CD2-CD2 4.36Å; F117-W134 AromaticContact CD2-CE3 3.55Å; F117-W134 HydrophobicContact CD2-CE3 3.55Å; F117-W134 HydrophobicContact CD2-CZ3 4.18Å; F117-W134 HydrophobicContact CE2-CE3 4.18Å; F117-W134 HydrophobicContact CG-CE3 4.35Å
118	F	93.9	Very high	84.7	Confident	60 Å²	60	61.6 Å²	61.6	26%	0.263	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.8	160.6	83.4	-120.2	0	0	0	111.3	L105 Q120 R131 V132 R133	L105-F118 WeakPolarHBondContact O-CA 3.44Å; F118-Q120 HydrophobicContact CD2-CB 4.42Å; F118-Q120 HydrophobicContact CE2-CB 4.42Å; F118-R131 HydrophobicContact CE2-CB 4.1Å; F118-R131 WeakPolarHBondContact CE2-O 3.37Å; F118-V132 WeakPolarHBondContact O-CA 3.39Å; F118-R133 HydrophobicContact CD1-CB 3.56Å; F118-R133 HydrophobicContact CD1-CG 4.25Å; F118-R133 HydrophobicContact CD2-CB 4.3Å; F118-R133 HydrophobicContact CE1-CB 3.34Å; F118-R133 HydrophobicContact CE1-CG 3.94Å; F118-R133 HydrophobicContact CE2-CB 4.07Å; F118-R133 HydrophobicContact CG-CB 4.04Å; F118-R133 HydrophobicContact CZ-CB 3.58Å; F118-R133 HydrophobicContact CZ-CG 4.49Å; F118-R133 PolarHBondContact N-O 2.97Å; F118-R133 PolarHBondContact O-N 3.31Å
119	I	94.7	Very high	85.2	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.2	159.6	-172.9	158.9	0	0	0	109.2	L66 L68 Y73 L105 F117 R131 V132	L66-I119 HydrophobicContact CD1-CD1 3.75Å; L66-I119 HydrophobicContact CD2-CD1 3.62Å; L66-I119 HydrophobicContact CD2-CG1 3.99Å; L66-I119 HydrophobicContact CD2-CG2 4.13Å; L66-I119 HydrophobicContact CG-CD1 4.35Å; L68-I119 HydrophobicContact CD2-CG2 4.26Å; Y73-I119 HydrophobicContact CD2-CD1 4.24Å; Y73-I119 HydrophobicContact CE2-CD1 4.31Å; Y73-I119 HydrophobicContact CG-CD1 4.4Å; L105-I119 HydrophobicContact CB-CG2 3.85Å; L105-I119 HydrophobicContact CD1-CG2 4.26Å; L105-I119 HydrophobicContact CD2-CG2 4.43Å; L105-I119 HydrophobicContact CG-CG2 4.42Å; L105-I119 PolarHBondContact N-O 2.7Å; L105-I119 PolarHBondContact O-N 3.42Å; F117-I119 HydrophobicContact CE1-CB 4.03Å; F117-I119 HydrophobicContact CE1-CG2 3.8Å; F117-I119 HydrophobicContact CZ-CB 3.94Å; F117-I119 HydrophobicContact CZ-CG2 4.13Å; I119-R131 CarbonylContact C-O 3.49Å; I119-R131 VanDerWaalsContact CA-O 3.32Å; I119-R131 WeakPolarHBondContact CA-O 3.44Å; I119-V132 HydrophobicContact CD1-CG2 3.81Å; I119-V132 HydrophobicContact CG1-CG2 4.01Å
120	Q	94.5	Very high	86.1	Confident	47 Å²	47	57.7 Å²	57.7	22%	0.22	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.9	177.7	177.2	-177.8	38.8	0	0	109.8	E103 I104 F118 V122 Y130 R131	E103-Q120 WeakPolarHBondContact O-CA 3.3Å; I104-Q120 HydrophobicContact CG1-CB 4.16Å; I104-Q120 HydrophobicContact CG1-CG 3.86Å; F118-Q120 HydrophobicContact CD2-CB 4.42Å; F118-Q120 HydrophobicContact CE2-CB 4.42Å; Q120-V122 HydrophobicContact CG-CG2 3.9Å; Q120-Y130 CarbonylContact O-C 3.57Å; Q120-Y130 WeakPolarHBondContact O-CA 3.44Å; Q120-R131 HydrophobicContact CB-CB 4.33Å; Q120-R131 PolarHBondContact N-O 2.86Å; Q120-R131 PolarHBondContact O-N 2.99Å
121	T	92.7	Very high	87.9	Confident	15 Å²	15	55.9 Å²	55.9	9%	0.092	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	135.3	167.5	-55.6	0	0	0	0	109.6	E103 Q128 C129 Y130	E103-T121 WeakPolarHBondContact CB-O 3.34Å; E103-T121 PolarHBondContact O-N 2.91Å; T121-Q128 HydrophobicContact CG2-CG 4.11Å; T121-C129 CarbonylContact C-O 3.54Å; T121-Y130 HydrophobicContact CG2-CE1 4.26Å
122	V	92.3	Very high	89.4	Confident	33 Å²	33	53.8 Å²	53.8	20%	0.2	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	114.2	176.1	-179.5	0	0	0	0	107.9	Q120 C129 R131	Q120-V122 HydrophobicContact CG-CG2 3.9Å; V122-C129 HydrophobicContact CB-CB 4.42Å; V122-C129 PolarHBondContact N-O 2.68Å; V122-C129 PolarHBondContact O-N 3.28Å; V122-R131 HydrophobicContact CG2-CG 4.25Å
123	F	88.6	Confident	91.1	Very high	132 Å²	132	50.9 Å²	50.9	58%	0.579	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.2	176.6	-172.3	-102.6	0	0	0	110	N125 Q128	F123-N125 VanDerWaalsContact CE1-O 3.25Å; F123-N125 WeakPolarHBondContact CE1-O 3.5Å; F123-N125 WeakPolarHBondContact CZ-O 3.27Å; F123-Q128 HydrophobicContact CD2-CB 4.32Å
124	D	85.7	Confident	92.1	Very high	57 Å²	57	48.2 Å²	48.2	31%	0.305	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	100.4	176.6	-168.6	-21.3	0	0	0	108.7	T126 V127 Y264	D124-T126 PolarHBondContact O-N 3.22Å; D124-V127 PolarHBondContact N-O 2.83Å; D124-V127 PolarHBondContact O-N 3.06Å; D124-Y264 HydrophobicContact CB-CE2 4.02Å
125	N	82.8	Confident	92.6	Very high	136 Å²	136	43.3 Å²	43.3	73%	0.727	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	-85.3	-179.1	-65.6	-75.8	0	0	0	115.4	F123	F123-N125 VanDerWaalsContact CE1-O 3.25Å; F123-N125 WeakPolarHBondContact CE1-O 3.5Å; F123-N125 WeakPolarHBondContact CZ-O 3.27Å
126	T	85.9	Confident	92.8	Very high	79 Å²	79	43 Å²	43	49%	0.485	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	0.7	179.5	57.3	0	0	0	0	112.9	D124 L256	D124-T126 PolarHBondContact O-N 3.22Å; T126-L256 HydrophobicContact CG2-CD1 4.13Å
127	V	93.3	Very high	92.7	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.7	-177.1	178.2	0	0	0	0	110.1	D124 C253 V254 I261 Y264	D124-V127 PolarHBondContact N-O 2.83Å; D124-V127 PolarHBondContact O-N 3.06Å; V127-C253 HydrophobicContact CG1-CB 4.03Å; V127-V254 WeakPolarHBondContact CA-O 3.44Å; V127-I261 HydrophobicContact CG1-CD1 3.52Å; V127-I261 HydrophobicContact CG2-CD1 4.15Å; V127-Y264 HydrophobicContact CB-CD1 4.24Å; V127-Y264 HydrophobicContact CB-CD2 4.23Å; V127-Y264 HydrophobicContact CB-CE1 4.27Å; V127-Y264 HydrophobicContact CB-CE2 4.28Å; V127-Y264 HydrophobicContact CB-CG 4.2Å; V127-Y264 HydrophobicContact CG1-CD1 3.7Å; V127-Y264 HydrophobicContact CG1-CE1 3.6Å; V127-Y264 HydrophobicContact CG1-CE2 4.48Å; V127-Y264 HydrophobicContact CG1-CG 4.17Å; V127-Y264 HydrophobicContact CG2-CD1 4.19Å; V127-Y264 HydrophobicContact CG2-CD2 4.05Å; V127-Y264 HydrophobicContact CG2-CG 3.82Å
128	Q	94.3	Very high	92.6	Very high	35 Å²	35	43.1 Å²	43.1	16%	0.164	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.3	175.1	-172.7	163.7	-8.4	0	0	110.2	T121 F123 Y130 C253 V254	T121-Q128 HydrophobicContact CG2-CG 4.11Å; F123-Q128 HydrophobicContact CD2-CB 4.32Å; Q128-Y130 HydrophobicContact CG-CE2 4.05Å; Q128-Y130 PolarHBondContact NE2-OH 2.91Å; Q128-C253 CarbonylContact O-C 3.18Å; Q128-C253 WeakPolarHBondContact O-CA 3.45Å; Q128-V254 PolarHBondContact N-O 3.39Å; Q128-V254 PolarHBondContact O-N 3.37Å
129	C	95.8	Very high	92.3	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.7	178.8	-70.8	0	0	0	0	111.7	T121 V122 V252 C253	T121-C129 CarbonylContact C-O 3.54Å; V122-C129 HydrophobicContact CB-CB 4.42Å; V122-C129 PolarHBondContact N-O 2.68Å; V122-C129 PolarHBondContact O-N 3.28Å; C129-V252 CarbonylContact C-O 3.6Å; C129-V252 WeakPolarHBondContact CA-O 3.31Å; C129-C253 HydrophobicContact CB-CB 4.12Å; C129-C253 WeakPolarHBondContact CB-SG 3.3Å; C129-C253 WeakPolarHBondContact SG-CB 3.24Å; C129-C253 CovalentContact SG-SG 2.04Å; C129-C253 PolarHBondContact SG-SG 3.43Å
130	Y	96.6	Very high	91.9	Very high	2 Å²	2	46 Å²	46	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	113	172.9	-55.4	-87.9	0	0	0	107.8	L65 L66 I75 Q120 T121 Q128 R251 V252	L65-Y130 WeakPolarHBondContact CB-OH 3.18Å; L66-Y130 HydrophobicContact CB-CD1 4.32Å; L66-Y130 HydrophobicContact CB-CE1 3.67Å; L66-Y130 HydrophobicContact CD2-CD1 4.02Å; L66-Y130 HydrophobicContact CD2-CE1 4.14Å; L66-Y130 HydrophobicContact CG-CE1 4.35Å; I75-Y130 HydrophobicContact CB-CE2 4.32Å; I75-Y130 HydrophobicContact CD1-CD2 3.36Å; I75-Y130 HydrophobicContact CD1-CE2 3.73Å; I75-Y130 HydrophobicContact CD1-CG 3.92Å; I75-Y130 HydrophobicContact CG1-CD2 3.92Å; I75-Y130 HydrophobicContact CG1-CE2 3.84Å; I75-Y130 HydrophobicContact CG1-CG 4.37Å; I75-Y130 HydrophobicContact CG2-CD2 4.28Å; I75-Y130 HydrophobicContact CG2-CE2 3.47Å; I75-Y130 VanDerWaalsContact CG2-CE2 3.47Å; Q120-Y130 CarbonylContact O-C 3.57Å; Q120-Y130 WeakPolarHBondContact O-CA 3.44Å; T121-Y130 HydrophobicContact CG2-CE1 4.26Å; Q128-Y130 HydrophobicContact CG-CE2 4.05Å; Q128-Y130 PolarHBondContact NE2-OH 2.91Å; Y130-R251 WeakPolarHBondContact O-CA 3.34Å; Y130-V252 PolarHBondContact N-O 2.95Å; Y130-V252 PolarHBondContact O-N 2.84Å
131	R	96.9	Very high	91.8	Very high	76 Å²	76	46.5 Å²	46.5	29%	0.287	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.4	173.4	-53.3	-178.3	-175.4	176	2.7	107.7	F118 I119 Q120 V122 R251	F118-R131 HydrophobicContact CE2-CB 4.1Å; F118-R131 WeakPolarHBondContact CE2-O 3.37Å; I119-R131 CarbonylContact C-O 3.49Å; I119-R131 VanDerWaalsContact CA-O 3.32Å; I119-R131 WeakPolarHBondContact CA-O 3.44Å; Q120-R131 HydrophobicContact CB-CB 4.33Å; Q120-R131 PolarHBondContact N-O 2.86Å; Q120-R131 PolarHBondContact O-N 2.99Å; V122-R131 HydrophobicContact CG2-CG 4.25Å; R131-R251 HydrophobicContact CG-CG 4.3Å
132	V	97.1	Very high	91.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.6	-178.8	-171.6	0	0	0	0	109.4	Y73 F117 F118 I119 S249 Y250	Y73-V132 HydrophobicContact CE1-CG1 4.49Å; Y73-V132 HydrophobicContact CE1-CG2 4.33Å; F117-V132 HydrophobicContact CE2-CG1 3.66Å; F117-V132 HydrophobicContact CZ-CG1 4.2Å; F118-V132 WeakPolarHBondContact O-CA 3.39Å; I119-V132 HydrophobicContact CD1-CG2 3.81Å; I119-V132 HydrophobicContact CG1-CG2 4.01Å; V132-S249 VanDerWaalsContact O-CA 3.31Å; V132-S249 WeakPolarHBondContact O-CA 3.45Å; V132-S249 PolarHBondContact O-OG 2.94Å; V132-Y250 HydrophobicContact CB-CD1 4.22Å; V132-Y250 HydrophobicContact CB-CE1 3.76Å; V132-Y250 HydrophobicContact CB-CE2 4.11Å; V132-Y250 HydrophobicContact CG1-CE1 3.74Å; V132-Y250 HydrophobicContact CG2-CE2 4.14Å; V132-Y250 PolarHBondContact N-O 2.83Å; V132-Y250 PolarHBondContact O-N 2.82Å
133	R	96.8	Very high	92.1	Very high	79 Å²	79	46.1 Å²	46.1	30%	0.298	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	132.4	170.6	-174	-178.5	-176.8	-146	-11.7	109.4	F117 F118 E135 E247 L248	F117-R133 WeakPolarHBondContact CA-O 3.07Å; F118-R133 HydrophobicContact CD1-CB 3.56Å; F118-R133 HydrophobicContact CD1-CG 4.25Å; F118-R133 HydrophobicContact CD2-CB 4.3Å; F118-R133 HydrophobicContact CE1-CB 3.34Å; F118-R133 HydrophobicContact CE1-CG 3.94Å; F118-R133 HydrophobicContact CE2-CB 4.07Å; F118-R133 HydrophobicContact CG-CB 4.04Å; F118-R133 HydrophobicContact CZ-CB 3.58Å; F118-R133 HydrophobicContact CZ-CG 4.49Å; F118-R133 PolarHBondContact N-O 2.97Å; F118-R133 PolarHBondContact O-N 3.31Å; R133-E135 IonicContact CZ-OE2 3.56Å; R133-E135 IonicContact NE-OE2 2.68Å; R133-E135 IonicContact NH1-OE2 3.58Å; R133-E135 IonicContact NH2-OE2 3.53Å; R133-E135 PolarHBondContact NH2-OE2 3.48Å; R133-E247 HydrophobicContact CG-CG 3.88Å; R133-E247 WeakPolarHBondContact CG-OE1 3.24Å; R133-E247 IonicContact CZ-OE1 3.84Å; R133-E247 IonicContact CZ-OE2 2.74Å; R133-E247 IonicContact NE-OE1 3.6Å; R133-E247 PolarHBondContact NE-OE1 3.3Å; R133-E247 IonicContact NE-OE2 3.63Å; R133-E247 PolarHBondContact NE-OE2 2.65Å; R133-E247 IonicContact NH2-OE2 2.74Å; R133-E247 PolarHBondContact NH2-OE2 3.15Å; R133-L248 WeakPolarHBondContact CA-O 3.38Å
134	W	95.6	Very high	92.5	Very high	1 Å²	1	41 Å²	41	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	114.1	170.1	-174.8	-56.4	0	0	0	108.1	F88 L93 L115 F117 V143 H145 E247 L248	F88-W134 HydrophobicContact CB-CH2 3.93Å; F88-W134 HydrophobicContact CB-CZ3 3.87Å; F88-W134 AromaticContact CD1-CE3 3.93Å; F88-W134 HydrophobicContact CD1-CE3 3.93Å; F88-W134 HydrophobicContact CD1-CH2 4.49Å; F88-W134 AromaticContact CD1-CZ3 3.59Å; F88-W134 HydrophobicContact CD1-CZ3 3.59Å; F88-W134 HydrophobicContact CD2-CH2 4.02Å; F88-W134 AromaticContact CD2-CZ3 3.48Å; F88-W134 HydrophobicContact CD2-CZ3 3.48Å; F88-W134 VanDerWaalsContact CD2-CZ3 3.48Å; F88-W134 HydrophobicContact CE1-CE3 4.06Å; F88-W134 AromaticContact CE1-CZ3 3.9Å; F88-W134 HydrophobicContact CE1-CZ3 3.9Å; F88-W134 AromaticContact CE2-CZ3 3.81Å; F88-W134 HydrophobicContact CE2-CZ3 3.81Å; F88-W134 HydrophobicContact CG-CE3 4.17Å; F88-W134 AromaticContact CG-CH2 3.91Å; F88-W134 HydrophobicContact CG-CH2 3.91Å; F88-W134 AromaticContact CG-CZ3 3.36Å; F88-W134 HydrophobicContact CG-CZ3 3.36Å; F88-W134 HydrophobicContact CZ-CE3 4.42Å; F88-W134 HydrophobicContact CZ-CZ3 4Å; L93-W134 HydrophobicContact CD2-CE3 4.26Å; L93-W134 HydrophobicContact CD2-CH2 3.76Å; L93-W134 HydrophobicContact CD2-CZ3 3.51Å; L93-W134 HydrophobicContact CG-CH2 4.37Å; L93-W134 HydrophobicContact CG-CZ3 4.11Å; L115-W134 HydrophobicContact CD1-CZ2 4.14Å; L115-W134 HydrophobicContact CD2-CH2 4.32Å; L115-W134 HydrophobicContact CD2-CZ2 3.55Å; L115-W134 HydrophobicContact CG-CZ2 4.41Å; F117-W134 HydrophobicContact CB-CE3 4.48Å; F117-W134 HydrophobicContact CD2-CB 4.43Å; F117-W134 HydrophobicContact CD2-CD2 4.36Å; F117-W134 AromaticContact CD2-CE3 3.55Å; F117-W134 HydrophobicContact CD2-CE3 3.55Å; F117-W134 HydrophobicContact CD2-CZ3 4.18Å; F117-W134 HydrophobicContact CE2-CE3 4.18Å; F117-W134 HydrophobicContact CG-CE3 4.35Å; W134-V143 HydrophobicContact CB-CG1 3.8Å; W134-V143 HydrophobicContact CD2-CG1 4.35Å; W134-V143 HydrophobicContact CG-CG1 3.56Å; W134-V143 HydrophobicContact CG-CG2 4.5Å; W134-H145 AromaticContact CD2-NE2 3.71Å; W134-H145 AromaticContact CE3-NE2 3.45Å; W134-H145 AromaticContact CG-NE2 3.9Å; W134-E247 WeakPolarHBondContact O-CA 3.5Å; W134-L248 PolarHBondContact N-O 3.24Å; W134-L248 PolarHBondContact O-N 3.1Å
135	E	93.9	Very high	93.1	Very high	31 Å²	31	38.3 Å²	38.3	15%	0.145	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.7	-178.5	-175.2	-172.8	129.5	0	0	108.4	L115 K116 R133 L137	L115-E135 WeakPolarHBondContact CA-O 3.49Å; K116-E135 HydrophobicContact CB-CB 4.31Å; K116-E135 PolarHBondContact N-O 3.28Å; K116-E135 IonicContact NZ-OE1 2.74Å; K116-E135 PolarHBondContact NZ-OE1 2.74Å; K116-E135 IonicContact NZ-OE2 3.63Å; K116-E135 PolarHBondContact O-N 3.32Å; R133-E135 IonicContact CZ-OE2 3.56Å; R133-E135 IonicContact NE-OE2 2.68Å; R133-E135 IonicContact NH1-OE2 3.58Å; R133-E135 IonicContact NH2-OE2 3.53Å; R133-E135 PolarHBondContact NH2-OE2 3.48Å; E135-L137 HydrophobicContact CG-CD2 3.96Å; E135-L137 WeakPolarHBondContact OE1-CD2 3.37Å
136	E	92.6	Very high	93.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.2	172.9	173	63.6	-101.1	0	0	109.2	R113 V138 L141 V143 C245 A246	R113-E136 IonicContact CZ-OE2 3.71Å; R113-E136 IonicContact NE-OE1 3.15Å; R113-E136 IonicContact NE-OE2 2.64Å; R113-E136 PolarHBondContact NE-OE2 3.27Å; R113-E136 IonicContact NH2-OE2 2.81Å; R113-E136 PolarHBondContact NH2-OE2 3.22Å; E136-V138 WeakPolarHBondContact CG-O 3.31Å; E136-V138 PolarHBondContact OE1-N 3.15Å; E136-L141 HydrophobicContact CG-CB 3.8Å; E136-V143 HydrophobicContact CB-CG2 3.54Å; E136-C245 VanDerWaalsContact O-CB 3.26Å; E136-C245 WeakPolarHBondContact O-CB 3.34Å; E136-A246 PolarHBondContact N-O 3.17Å
137	L	89.8	Confident	94.3	Very high	64 Å²	64	28.4 Å²	28.4	34%	0.335	15%	0.15	S	C	.	.			trans	-91.1	-7.4	-176.5	-52.9	178.5	0	0	0	113	K114 K116 E135	K114-L137 HydrophobicContact CB-CB 4.38Å; K114-L137 HydrophobicContact CB-CD1 3.93Å; K114-L137 VanDerWaalsContact O-CB 3.24Å; K114-L137 WeakPolarHBondContact O-CB 3.46Å; K114-L137 WeakPolarHBondContact O-CG 3.35Å; K114-L137 PolarHBondContact O-N 3.26Å; K114-L137 VanDerWaalsContact O-N 3.15Å; K116-L137 HydrophobicContact CG-CD1 4.38Å; E135-L137 HydrophobicContact CG-CD2 3.96Å; E135-L137 WeakPolarHBondContact OE1-CD2 3.37Å
138	V	89.9	Confident	94.4	Very high	52 Å²	52	29.7 Å²	29.7	32%	0.315	16%	0.157	S	C	.	.	S	Bend	trans	-89	119.6	172.8	-175	0	0	0	0	109.6	R113 E136 L141	R113-V138 HydrophobicContact CG-CG2 4.4Å; E136-V138 WeakPolarHBondContact CG-O 3.31Å; E136-V138 PolarHBondContact OE1-N 3.15Å; V138-L141 HydrophobicContact CB-CD1 3.8Å; V138-L141 HydrophobicContact CB-CG 4.13Å; V138-L141 HydrophobicContact CG1-CD1 3.8Å; V138-L141 HydrophobicContact CG1-CG 3.91Å; V138-L141 HydrophobicContact CG2-CD1 4.38Å
139	P	88.9	Confident	94.3	Very high	65 Å²	65	29.2 Å²	29.2	42%	0.422	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	146.5	-179.7	-26.8	35.1	0	0	0	113.4	L141 A243 P244	P139-L141 PolarHBondContact O-N 3.33Å; P139-A243 HydrophobicContact CG-CB 4.19Å; P139-P244 HydrophobicContact CB-CG 4.13Å
140	S	86.4	Confident	93.8	Very high	57 Å²	57	34.3 Å²	34.3	40%	0.399	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	-7.9	176.2	-53.3	0	0	0	0	116.9	P244	S140-P244 PolarHBondContact N-O 2.86Å
141	L	91.8	Very high	93.1	Very high	59 Å²	59	38.3 Å²	38.3	31%	0.309	21%	0.206	S	C	.	.			trans	-73.6	134.3	171.1	-68.2	-168.4	0	0	0	110.7	R113 E136 V138 P139 A246	R113-L141 HydrophobicContact CG-CD1 4.41Å; E136-L141 HydrophobicContact CG-CB 3.8Å; V138-L141 HydrophobicContact CB-CD1 3.8Å; V138-L141 HydrophobicContact CB-CG 4.13Å; V138-L141 HydrophobicContact CG1-CD1 3.8Å; V138-L141 HydrophobicContact CG1-CG 3.91Å; V138-L141 HydrophobicContact CG2-CD1 4.38Å; P139-L141 PolarHBondContact O-N 3.33Å; L141-A246 VanDerWaalsContact O-CB 3.28Å; L141-A246 WeakPolarHBondContact O-CB 3.34Å
142	P	95.2	Very high	92.9	Very high	40 Å²	40	35.7 Å²	35.7	26%	0.26	20%	0.199	S	C	.	.			trans	-77.7	151.8	176.4	31	-34	0	0	0	112	S90 R113 Q228 A229 R230	S90-P142 WeakPolarHBondContact CB-O 3.44Å; S90-P142 PolarHBondContact OG-O 2.77Å; R113-P142 PolarHBondContact NH2-O 3.03Å; P142-Q228 HydrophobicContact CB-CG 4Å; P142-A229 VanDerWaalsContact CA-O 3.29Å; P142-A229 WeakPolarHBondContact CA-O 3.5Å; P142-R230 HydrophobicContact CB-CB 4.1Å; P142-R230 HydrophobicContact CB-CG 4.03Å
143	V	96.2	Very high	92.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.6	165.5	179	0	0	0	0	108.4	S90 W134 E136 Q228 A229 A246 L248	S90-V143 VanDerWaalsContact OG-CA 3.32Å; S90-V143 WeakPolarHBondContact OG-CA 3.44Å; W134-V143 HydrophobicContact CB-CG1 3.8Å; W134-V143 HydrophobicContact CD2-CG1 4.35Å; W134-V143 HydrophobicContact CG-CG1 3.56Å; W134-V143 HydrophobicContact CG-CG2 4.5Å; E136-V143 HydrophobicContact CB-CG2 3.54Å; V143-Q228 CarbonylContact O-C 3.45Å; V143-Q228 VanDerWaalsContact O-CA 3.26Å; V143-Q228 WeakPolarHBondContact O-CA 3.38Å; V143-A229 HydrophobicContact CB-CB 4.38Å; V143-A229 PolarHBondContact N-O 2.8Å; V143-A229 PolarHBondContact O-N 2.87Å; V143-A246 HydrophobicContact CG2-CB 4.09Å; V143-A246 WeakPolarHBondContact CG2-O 3.44Å; V143-L248 HydrophobicContact CB-CB 4.02Å; V143-L248 HydrophobicContact CG1-CB 3.52Å; V143-L248 HydrophobicContact CG1-CD2 4.11Å; V143-L248 HydrophobicContact CG1-CG 4.48Å
144	E	97.4	Very high	92.9	Very high	25 Å²	25	34.5 Å²	34.5	12%	0.117	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.5	-179.8	-176.1	173.9	99.6	0	0	110.9	R89 S90 F227 Q228	R89-E144 HydrophobicContact CB-CB 4.18Å; R89-E144 HydrophobicContact CB-CG 4.04Å; R89-E144 WeakPolarHBondContact CD-OE1 3.15Å; R89-E144 IonicContact CZ-OE1 2.82Å; R89-E144 PolarHBondContact N-O 2.86Å; R89-E144 IonicContact NE-OE1 3.98Å; R89-E144 PolarHBondContact NE-OE1 3.17Å; R89-E144 IonicContact NH2-OE1 3.43Å; S90-E144 PolarHBondContact N-O 3.29Å; S90-E144 PolarHBondContact OG-N 3.38Å; E144-F227 WeakPolarHBondContact CA-O 3.34Å; E144-Q228 HydrophobicContact CB-CB 4.35Å; E144-Q228 HydrophobicContact CB-CG 4.13Å; E144-Q228 HydrophobicContact CG-CB 4.34Å; E144-Q228 PolarHBondContact OE2-NE2 2.96Å
145	H	97.8	Very high	93	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	154.2	165	-52	160.4	0	0	0	110.7	M86 S87 F88 W134 Y226 F227 L248 Y250	M86-H145 HydrophobicContact CG-CB 3.89Å; M86-H145 HydrophobicContact SD-CB 3.36Å; M86-H145 WeakPolarHBondContact SD-CB 3.21Å; S87-H145 CarbonylContact O-C 3.49Å; S87-H145 VanDerWaalsContact O-CA 3.24Å; S87-H145 WeakPolarHBondContact O-CA 3.45Å; S87-H145 WeakPolarHBondContact O-CB 3.48Å; F88-H145 AromaticContact CD1-CD2 3.56Å; F88-H145 AromaticContact CD1-NE2 3.59Å; F88-H145 AromaticContact CE1-NE2 4Å; W134-H145 AromaticContact CD2-NE2 3.71Å; W134-H145 AromaticContact CE3-NE2 3.45Å; W134-H145 AromaticContact CG-NE2 3.9Å; H145-Y226 WeakPolarHBondContact O-CA 3.1Å; H145-F227 PolarHBondContact N-O 3.23Å; H145-F227 PolarHBondContact O-N 2.99Å; H145-L248 HydrophobicContact CB-CD2 4.19Å; H145-L248 WeakPolarHBondContact ND1-CD2 3.37Å; H145-Y250 AromaticContact CE1-CE1 3.75Å; H145-Y250 AromaticContact ND1-CE1 3.47Å; H145-Y250 WeakPolarHBondContact ND1-CE1 3.32Å; H145-Y250 AromaticContact ND1-CZ 3.67Å; H145-Y250 PolarHBondContact ND1-OH 2.84Å; H145-Y250 VanDerWaalsContact ND1-OH 3.15Å
146	A	97.4	Very high	93.2	Very high	7 Å²	7	33.1 Å²	33.1	6%	0.058	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.1	177.8	0	0	0	0	0	110.6	M86 S87 R89 T224 M225 Y226	M86-A146 WeakPolarHBondContact CA-O 3.47Å; M86-A146 VanDerWaalsContact SD-C 3.54Å; S87-A146 PolarHBondContact N-O 3.07Å; S87-A146 PolarHBondContact O-N 3.27Å; R89-A146 VanDerWaalsContact CD-CB 3.46Å; R89-A146 HydrophobicContact CG-CB 4.15Å; A146-T224 HydrophobicContact CB-CG2 3.52Å; A146-M225 CarbonylContact C-O 3.27Å; A146-M225 WeakPolarHBondContact CA-O 3.42Å; A146-Y226 HydrophobicContact CB-CD1 4.08Å; A146-Y226 HydrophobicContact CB-CE1 4.27Å
147	M	96.8	Very high	93.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.8	174.8	-167.9	-161.9	95.4	0	0	110.1	F84 M86 W154 I206 T224 M225 F227	F84-M147 HydrophobicContact CE2-CG 3.67Å; F84-M147 HydrophobicContact CE2-SD 3.65Å; F84-M147 HydrophobicContact CZ-CG 3.89Å; F84-M147 HydrophobicContact CZ-SD 4.2Å; M86-M147 HydrophobicContact CE-CB 3.65Å; M86-M147 HydrophobicContact CE-CG 3.87Å; M86-M147 HydrophobicContact SD-CB 4.07Å; M147-W154 HydrophobicContact CE-CD2 3.96Å; M147-W154 HydrophobicContact CE-CE3 4.25Å; M147-W154 HydrophobicContact CE-CH2 3.85Å; M147-W154 HydrophobicContact CE-CZ2 3.52Å; M147-W154 HydrophobicContact CE-CZ3 4.2Å; M147-W154 HydrophobicContact SD-CH2 3.95Å; M147-W154 HydrophobicContact SD-CZ2 4.15Å; M147-W154 HydrophobicContact SD-CZ3 4.33Å; M147-I206 HydrophobicContact SD-CD1 3.27Å; M147-I206 WeakPolarHBondContact SD-CD1 3.42Å; M147-T224 CarbonylContact O-C 3.58Å; M147-T224 VanDerWaalsContact O-CA 3.28Å; M147-T224 WeakPolarHBondContact O-CA 3.5Å; M147-M225 HydrophobicContact CE-CE 3.36Å; M147-M225 PolarHBondContact N-O 3.5Å; M147-M225 PolarHBondContact O-N 2.93Å; M147-M225 HydrophobicContact SD-CE 4.2Å; M147-F227 HydrophobicContact CB-CE2 4.18Å; M147-F227 HydrophobicContact CB-CZ 4.32Å; M147-F227 HydrophobicContact SD-CE2 4.01Å; M147-F227 HydrophobicContact SD-CZ 3.8Å
148	T	95.4	Very high	93.8	Very high	29 Å²	29	30.6 Å²	30.6	18%	0.178	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130	171.2	-47.5	0	0	0	0	109.8	R85 N150	R85-T148 PolarHBondContact O-N 2.73Å; T148-N150 VanDerWaalsContact CG2-OD1 3.26Å; T148-N150 WeakPolarHBondContact CG2-OD1 3.43Å
149	Y	92.3	Very high	94.1	Very high	25 Å²	25	28.2 Å²	28.2	10%	0.098	17%	0.165	C	C	.	.			trans	-110.7	-3.8	-177.5	65.4	-104.2	0	0	0	115.2	V151 S152 W154 I169 D220 K223 M225	Y149-V151 PolarHBondContact O-N 3.06Å; Y149-V151 VanDerWaalsContact O-N 3.13Å; Y149-S152 VanDerWaalsContact O-O 3.05Å; Y149-W154 PolarHBondContact O-NE1 2.94Å; Y149-I169 HydrophobicContact CD1-CD1 4.33Å; Y149-I169 HydrophobicContact CE1-CD1 3.86Å; Y149-D220 WeakPolarHBondContact OH-CA 3.4Å; Y149-D220 PolarHBondContact OH-OD1 3.25Å; Y149-K223 WeakPolarHBondContact CD1-O 3.36Å; Y149-K223 HydrophobicContact CD2-CB 4.45Å; Y149-K223 HydrophobicContact CE1-CB 4.48Å; Y149-K223 HydrophobicContact CE2-CB 4.11Å; Y149-K223 HydrophobicContact CE2-CD 3.79Å; Y149-K223 PolarHBondContact N-O 2.96Å; Y149-M225 HydrophobicContact CD1-CG 3.91Å; Y149-M225 HydrophobicContact CE1-CG 4.21Å
150	N	85.4	Confident	94.4	Very high	109 Å²	109	27.3 Å²	27.3	58%	0.583	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-7.3	-173.4	69.4	-12.5	0	0	0	116.9	T148 K223	T148-N150 VanDerWaalsContact CG2-OD1 3.26Å; T148-N150 WeakPolarHBondContact CG2-OD1 3.43Å; N150-K223 HydrophobicContact CB-CB 3.74Å; N150-K223 HydrophobicContact CB-CG 4.09Å
151	V	81.1	Confident	94.8	Very high	86 Å²	86	24.7 Å²	24.7	52%	0.521	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-13.7	-173.7	-166.4	0	0	0	0	112.2	Y149	Y149-V151 PolarHBondContact O-N 3.06Å; Y149-V151 VanDerWaalsContact O-N 3.13Å
152	S	92.7	Very high	95	Very high	20 Å²	20	26.1 Å²	26.1	14%	0.14	15%	0.147	C	C	.	.	S	Bend	trans	-162.6	165.6	-169.3	51.9	0	0	0	0	111.8	Y149 W154 S200 N202	Y149-S152 VanDerWaalsContact O-O 3.05Å; S152-W154 PolarHBondContact OG-NE1 3.31Å; S152-S200 WeakPolarHBondContact CB-OG 3.33Å; S152-S200 PolarHBondContact OG-OG 3.39Å; S152-N202 PolarHBondContact OG-ND2 3.32Å
153	H	96.8	Very high	95.1	Very high	42 Å²	42	24.4 Å²	24.4	19%	0.194	14%	0.136	C	C	.	.			trans	-81	143.5	174.2	-59	-57.5	0	0	0	109.6	Y155 P166 S200 S201 E615 Y618	H153-Y155 HydrophobicContact CB-CE2 4.49Å; H153-P166 HydrophobicContact CB-CB 3.85Å; H153-P166 HydrophobicContact CB-CG 3.9Å; H153-S200 CarbonylContact O-C 3.53Å; H153-S200 WeakPolarHBondContact O-CA 3.19Å; H153-S200 WeakPolarHBondContact O-CB 3.02Å; H153-S200 PolarHBondContact O-OG 3.4Å; H153-S201 PolarHBondContact N-OG 3.15Å; H153-S201 PolarHBondContact O-N 3.25Å; H153-E615 IonicContact CD2-OE1 2.98Å; H153-E615 IonicContact CD2-OE2 2.7Å; H153-E615 IonicContact CE1-OE1 2.94Å; H153-E615 IonicContact NE2-OE1 2.68Å; H153-E615 PolarHBondContact NE2-OE1 3.24Å; H153-E615 IonicContact NE2-OE2 3.96Å; H153-E615 PolarHBondContact NE2-OE2 3.15Å; H153-Y618 VanDerWaalsContact CD2-CB 3.47Å; H153-Y618 WeakPolarHBondContact CD2-CB 3.49Å; H153-Y618 AromaticContact CD2-CD2 3.9Å
154	W	97.8	Very high	95.1	Very high	13 Å²	13	26.8 Å²	26.8	5%	0.049	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.8	-175.8	-72.9	84.1	0	0	0	112.1	F84 M147 Y149 S152 P166 I167 W198 L199 T204 I206	F84-W154 HydrophobicContact CD2-CH2 4.16Å; F84-W154 HydrophobicContact CD2-CZ2 4.47Å; F84-W154 HydrophobicContact CE2-CH2 4.08Å; M147-W154 HydrophobicContact CE-CD2 3.96Å; M147-W154 HydrophobicContact CE-CE3 4.25Å; M147-W154 HydrophobicContact CE-CH2 3.85Å; M147-W154 HydrophobicContact CE-CZ2 3.52Å; M147-W154 HydrophobicContact CE-CZ3 4.2Å; M147-W154 HydrophobicContact SD-CH2 3.95Å; M147-W154 HydrophobicContact SD-CZ2 4.15Å; M147-W154 HydrophobicContact SD-CZ3 4.33Å; Y149-W154 PolarHBondContact O-NE1 2.94Å; S152-W154 PolarHBondContact OG-NE1 3.31Å; W154-P166 VanDerWaalsContact O-CB 3.27Å; W154-P166 WeakPolarHBondContact O-CB 3.4Å; W154-I167 HydrophobicContact CB-CD1 4.5Å; W154-I167 WeakPolarHBondContact O-CG1 3.41Å; W154-I167 PolarHBondContact O-N 3.47Å; W154-W198 HydrophobicContact CE3-CB 3.97Å; W154-W198 HydrophobicContact CZ3-CB 4.09Å; W154-L199 CarbonylContact C-O 3.57Å; W154-L199 WeakPolarHBondContact CA-O 3.21Å; W154-T204 HydrophobicContact CH2-CG2 4.34Å; W154-I206 HydrophobicContact CH2-CD1 3.76Å; W154-I206 HydrophobicContact CH2-CG1 4.21Å; W154-I206 HydrophobicContact CZ3-CD1 3.59Å; W154-I206 HydrophobicContact CZ3-CG1 3.97Å
155	Y	98.3	Very high	95.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153.5	-175.2	-39.9	-84.2	0	0	0	110.4	H153 W165 P166 W198 L199 I512 W608 Y618	H153-Y155 HydrophobicContact CB-CE2 4.49Å; Y155-W165 AromaticContact CD1-CD2 3.7Å; Y155-W165 HydrophobicContact CD1-CD2 3.7Å; Y155-W165 AromaticContact CD1-CE2 3.41Å; Y155-W165 VanDerWaalsContact CD1-CE2 3.41Å; Y155-W165 AromaticContact CD1-CE3 3.88Å; Y155-W165 HydrophobicContact CD1-CE3 3.88Å; Y155-W165 HydrophobicContact CD1-CG 4.46Å; Y155-W165 AromaticContact CD1-CH2 3.62Å; Y155-W165 HydrophobicContact CD1-CH2 3.62Å; Y155-W165 AromaticContact CD1-CZ2 3.37Å; Y155-W165 HydrophobicContact CD1-CZ2 3.37Å; Y155-W165 AromaticContact CD1-CZ3 3.85Å; Y155-W165 HydrophobicContact CD1-CZ3 3.85Å; Y155-W165 HydrophobicContact CE1-CD2 4.04Å; Y155-W165 AromaticContact CE1-CE2 3.5Å; Y155-W165 VanDerWaalsContact CE1-CE2 3.5Å; Y155-W165 HydrophobicContact CE1-CG 4.46Å; Y155-W165 HydrophobicContact CE1-CH2 4.4Å; Y155-W165 AromaticContact CE1-CZ2 3.71Å; Y155-W165 HydrophobicContact CE1-CZ2 3.71Å; Y155-W165 AromaticContact CE1-NE1 3.61Å; Y155-W165 AromaticContact CG-CH2 3.93Å; Y155-W165 HydrophobicContact CG-CH2 3.93Å; Y155-W165 AromaticContact CG-CZ2 3.99Å; Y155-W165 HydrophobicContact CG-CZ2 3.99Å; Y155-W165 HydrophobicContact CG-CZ3 4.29Å; Y155-P166 HydrophobicContact CD1-CB 3.99Å; Y155-P166 HydrophobicContact CE1-CB 3.63Å; Y155-W198 CarbonylContact O-C 3.49Å; Y155-W198 VanDerWaalsContact O-CA 3.31Å; Y155-W198 WeakPolarHBondContact O-CA 3.32Å; Y155-L199 HydrophobicContact CD2-CB 4.41Å; Y155-L199 HydrophobicContact CD2-CG 4.29Å; Y155-L199 PolarHBondContact N-O 3.36Å; Y155-L199 PolarHBondContact O-N 3.42Å; Y155-I512 HydrophobicContact CG-CD1 4.5Å; Y155-W608 HydrophobicContact CD2-CZ2 4.26Å; Y155-W608 AromaticContact CE1-NE1 3.57Å; Y155-W608 HydrophobicContact CE2-CZ2 4.31Å; Y155-W608 AromaticContact CE2-NE1 3.7Å; Y155-W608 AromaticContact CZ-CD1 3.89Å; Y155-W608 AromaticContact CZ-NE1 3.29Å; Y155-W608 VanDerWaalsContact CZ-NE1 3.29Å; Y155-W608 PolarHBondContact OH-NE1 3.5Å; Y155-Y618 WeakPolarHBondContact OH-CA 3.27Å; Y155-Y618 WeakPolarHBondContact OH-CB 3.24Å; Y155-Y618 PolarHBondContact OH-O 2.93Å
156	G	97.4	Very high	95.1	Very high	3 Å²	3	26.9 Å²	26.9	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.3	-150.8	174.6	0	0	0	0	0	114.2	A158 I167	G156-A158 PolarHBondContact O-N 3.22Å; G156-I167 WeakPolarHBondContact O-CD1 3.26Å
157	G	97.4	Very high	95	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.5	-90.3	-171.7	0	0	0	0	0	112.6	L194 E195 Y197	G157-L194 WeakPolarHBondContact O-CA 3.28Å; G157-L194 WeakPolarHBondContact O-CB 3.39Å; G157-E195 CarbonylContact C-O 3.53Å; G157-E195 WeakPolarHBondContact CA-O 3.48Å; G157-E195 PolarHBondContact O-N 2.81Å; G157-Y197 PolarHBondContact N-O 2.91Å
158	A	97.1	Very high	94.9	Very high	9 Å²	9	32.7 Å²	32.7	7%	0.074	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	157.2	-172	0	0	0	0	0	111.4	G156 F178 F190 L194	G156-A158 PolarHBondContact O-N 3.22Å; A158-F178 HydrophobicContact CB-CE2 4.28Å; A158-F178 HydrophobicContact CB-CZ 4.17Å; A158-F190 HydrophobicContact CB-CB 3.92Å; A158-F190 HydrophobicContact CB-CD1 4.35Å; A158-L194 HydrophobicContact CB-CB 3.55Å; A158-L194 HydrophobicContact CB-CD2 4.49Å
159	E	95.7	Very high	94.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.182	C	C	.	.			trans	-57.8	144.7	155.2	174.5	-170.1	-139.4	0	0	110.3	Q163 I183 G191 G192 I193 P487 I488 T506	E159-Q163 VanDerWaalsContact CA-OE1 3.3Å; E159-I183 HydrophobicContact CG-CD1 3.78Å; E159-G191 WeakPolarHBondContact O-CA 3.26Å; E159-G191 PolarHBondContact O-N 2.88Å; E159-G192 PolarHBondContact OE2-N 2.82Å; E159-I193 PolarHBondContact N-O 2.9Å; E159-I193 VanDerWaalsContact N-O 3.09Å; E159-P487 WeakPolarHBondContact OE1-CA 3.48Å; E159-P487 WeakPolarHBondContact OE1-CB 3.36Å; E159-I488 PolarHBondContact OE1-N 2.86Å; E159-T506 HydrophobicContact CG-CG2 4.3Å
160	T	95.5	Very high	94.5	Very high	46 Å²	46	35.6 Å²	35.6	28%	0.282	21%	0.208	S	C	.	.			trans	-138.1	154.8	175.4	52.5	0	0	0	0	111.3	I162 Q163	T160-I162 PolarHBondContact O-N 2.81Å; T160-I162 PolarHBondContact OG1-O 2.99Å; T160-Q163 PolarHBondContact OG1-OE1 3.42Å
161	A	95.3	Very high	94.9	Very high	3 Å²	3	32.6 Å²	32.6	3%	0.025	20%	0.202	C	C	.	.	S	Bend	trans	-61.7	-45.5	-176.9	0	0	0	0	0	111.9	I183 R187 E497 L498	A161-I183 HydrophobicContact CB-CB 4.21Å; A161-I183 HydrophobicContact CB-CG1 4.38Å; A161-R187 HydrophobicContact CB-CB 4.27Å; A161-R187 WeakPolarHBondContact CB-O 3.39Å; A161-E497 CarbonylContact O-C 3.5Å; A161-E497 WeakPolarHBondContact O-CA 3.23Å; A161-L498 HydrophobicContact CB-CD2 4.4Å; A161-L498 HydrophobicContact CB-CG 4.27Å; A161-L498 PolarHBondContact O-N 3.29Å
162	I	96.5	Very high	95.6	Very high	89 Å²	89	34.9 Å²	34.9	46%	0.456	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-92.8	110	164.4	-54.5	175.6	0	0	0	106.7	T160 Y496 E497	T160-I162 PolarHBondContact O-N 2.81Å; T160-I162 PolarHBondContact OG1-O 2.99Å; I162-Y496 WeakPolarHBondContact CA-O 3.46Å; I162-E497 HydrophobicContact CG1-CB 3.86Å; I162-E497 HydrophobicContact CG1-CG 3.82Å
163	Q	96.6	Very high	95.7	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.019	21%	0.208	C	C	.	.			trans	-114.8	125.8	-177.7	-170.4	78.7	62.7	0	0	110.9	E159 T160 Y496 S502 P505 T509	E159-Q163 VanDerWaalsContact CA-OE1 3.3Å; T160-Q163 PolarHBondContact OG1-OE1 3.42Å; Q163-Y496 PolarHBondContact N-O 3.23Å; Q163-Y496 WeakPolarHBondContact O-CD1 3.16Å; Q163-S502 WeakPolarHBondContact O-CB 3.45Å; Q163-P505 HydrophobicContact CB-CB 4.16Å; Q163-P505 HydrophobicContact CG-CB 3.56Å; Q163-T509 PolarHBondContact NE2-OG1 2.7Å
164	H	97.3	Very high	95.7	Very high	49 Å²	49	37.3 Å²	37.3	23%	0.227	23%	0.23	C	C	.	.			trans	-122	163	174	-69.2	-74.7	0	0	0	111.1	P166 Y496	H164-P166 CarbonylContact C-O 3.53Å; H164-P166 WeakPolarHBondContact CB-O 3.35Å; H164-Y496 AromaticContact CE1-CD1 3.64Å; H164-Y496 AromaticContact CE1-CD2 3.55Å; H164-Y496 AromaticContact CE1-CE2 3.99Å; H164-Y496 AromaticContact CE1-CG 3.35Å; H164-Y496 AromaticContact ND1-CD1 3.54Å; H164-Y496 AromaticContact ND1-CE1 3.72Å; H164-Y496 AromaticContact ND1-CG 3.77Å
165	W	97.5	Very high	95.7	Very high	6 Å²	6	37.6 Å²	37.6	2%	0.023	23%	0.234	C	C	.	.	S	Bend	trans	-133.9	118.5	172.6	-176.5	-90.5	0	0	0	110.2	Y155 P505 L508 I512 P606 W608 D621	Y155-W165 AromaticContact CD1-CD2 3.7Å; Y155-W165 HydrophobicContact CD1-CD2 3.7Å; Y155-W165 AromaticContact CD1-CE2 3.41Å; Y155-W165 VanDerWaalsContact CD1-CE2 3.41Å; Y155-W165 AromaticContact CD1-CE3 3.88Å; Y155-W165 HydrophobicContact CD1-CE3 3.88Å; Y155-W165 HydrophobicContact CD1-CG 4.46Å; Y155-W165 AromaticContact CD1-CH2 3.62Å; Y155-W165 HydrophobicContact CD1-CH2 3.62Å; Y155-W165 AromaticContact CD1-CZ2 3.37Å; Y155-W165 HydrophobicContact CD1-CZ2 3.37Å; Y155-W165 AromaticContact CD1-CZ3 3.85Å; Y155-W165 HydrophobicContact CD1-CZ3 3.85Å; Y155-W165 HydrophobicContact CE1-CD2 4.04Å; Y155-W165 AromaticContact CE1-CE2 3.5Å; Y155-W165 VanDerWaalsContact CE1-CE2 3.5Å; Y155-W165 HydrophobicContact CE1-CG 4.46Å; Y155-W165 HydrophobicContact CE1-CH2 4.4Å; Y155-W165 AromaticContact CE1-CZ2 3.71Å; Y155-W165 HydrophobicContact CE1-CZ2 3.71Å; Y155-W165 AromaticContact CE1-NE1 3.61Å; Y155-W165 AromaticContact CG-CH2 3.93Å; Y155-W165 HydrophobicContact CG-CH2 3.93Å; Y155-W165 AromaticContact CG-CZ2 3.99Å; Y155-W165 HydrophobicContact CG-CZ2 3.99Å; Y155-W165 HydrophobicContact CG-CZ3 4.29Å; W165-P505 HydrophobicContact CB-CB 4.17Å; W165-P505 HydrophobicContact CB-CG 4.26Å; W165-L508 HydrophobicContact CD2-CB 3.97Å; W165-L508 HydrophobicContact CD2-CD1 3.9Å; W165-L508 HydrophobicContact CE3-CB 3.67Å; W165-L508 HydrophobicContact CE3-CD1 4.46Å; W165-L508 HydrophobicContact CG-CD1 3.95Å; W165-L508 HydrophobicContact CH2-CB 4.02Å; W165-L508 HydrophobicContact CZ2-CB 4.31Å; W165-L508 HydrophobicContact CZ3-CB 3.7Å; W165-I512 HydrophobicContact CH2-CD1 3.74Å; W165-I512 HydrophobicContact CH2-CG1 4.17Å; W165-I512 HydrophobicContact CH2-CG2 4.02Å; W165-I512 HydrophobicContact CZ3-CD1 3.83Å; W165-I512 HydrophobicContact CZ3-CG1 4.21Å; W165-P606 HydrophobicContact CH2-CB 4.44Å; W165-P606 HydrophobicContact CH2-CG 4.39Å; W165-P606 HydrophobicContact CZ2-CB 3.43Å; W165-P606 VanDerWaalsContact CZ2-CB 3.43Å; W165-P606 HydrophobicContact CZ2-CG 3.69Å; W165-W608 AromaticContact CE2-NE1 3.85Å; W165-W608 HydrophobicContact CH2-CZ2 4.24Å; W165-W608 AromaticContact CZ2-CE2 3.86Å; W165-W608 AromaticContact CZ2-CZ2 3.83Å; W165-W608 HydrophobicContact CZ2-CZ2 3.83Å; W165-W608 AromaticContact CZ2-NE1 3.37Å; W165-W608 AromaticContact NE1-NE1 3.79Å; W165-D621 HydrophobicContact CB-CB 3.81Å; W165-D621 WeakPolarHBondContact O-CB 3.35Å
166	P	97.7	Very high	95.6	Very high	22 Å²	22	40 Å²	40	14%	0.143	24%	0.244	C	C	.	.	S	Bend	cis	-58.3	175.1	-9.6	29.7	-38.8	0	0	0	112.9	H153 W154 Y155 H164 S168	H153-P166 HydrophobicContact CB-CB 3.85Å; H153-P166 HydrophobicContact CB-CG 3.9Å; W154-P166 VanDerWaalsContact O-CB 3.27Å; W154-P166 WeakPolarHBondContact O-CB 3.4Å; Y155-P166 HydrophobicContact CD1-CB 3.99Å; Y155-P166 HydrophobicContact CE1-CB 3.63Å; H164-P166 CarbonylContact C-O 3.53Å; H164-P166 WeakPolarHBondContact CB-O 3.35Å; P166-S168 PolarHBondContact O-N 3Å
167	I	95.4	Very high	95.6	Very high	47 Å²	47	40.5 Å²	40.5	24%	0.241	25%	0.247	C	C	.	.			trans	-55.3	117.2	175.5	-58.7	163.8	0	0	0	109.1	W154 G156 I169	W154-I167 HydrophobicContact CB-CD1 4.5Å; W154-I167 WeakPolarHBondContact O-CG1 3.41Å; W154-I167 PolarHBondContact O-N 3.47Å; G156-I167 WeakPolarHBondContact O-CD1 3.26Å; I167-I169 HydrophobicContact CG2-CD1 4.38Å; I167-I169 HydrophobicContact CG2-CG1 3.75Å
168	S	92.9	Very high	95.6	Very high	81 Å²	81	40.4 Å²	40.4	57%	0.566	25%	0.246	S	C	*	.			trans	-95.7	115.5	169	-172.1	0	0	0	0	108.6	P166	P166-S168 PolarHBondContact O-N 3Å
169	I	89.8	Confident	95.6	Very high	24 Å²	24	40.9 Å²	40.9	12%	0.123	25%	0.248	C	C	.	.			trans	-100.1	131.4	177.7	-59.4	-174.7	0	0	0	108	Y149 I167 W218 D220 M225	Y149-I169 HydrophobicContact CD1-CD1 4.33Å; Y149-I169 HydrophobicContact CE1-CD1 3.86Å; I167-I169 HydrophobicContact CG2-CD1 4.38Å; I167-I169 HydrophobicContact CG2-CG1 3.75Å; I169-W218 HydrophobicContact CG2-CB 3.85Å; I169-W218 HydrophobicContact CG2-CD2 3.92Å; I169-W218 HydrophobicContact CG2-CG 3.39Å; I169-D220 VanDerWaalsContact O-CG 3.25Å; I169-D220 VanDerWaalsContact O-OD1 3.1Å; I169-M225 HydrophobicContact CD1-CG 3.73Å; I169-M225 HydrophobicContact CD1-SD 3.79Å
170	S	90.4	Very high	95.7	Very high	92 Å²	92	40.9 Å²	40.9	64%	0.643	25%	0.248	S	C	*	.			trans	-125	152	176	66	0	0	0	0	111.8	W218	S170-W218 PolarHBondContact O-NE1 3.01Å
171	G	93.9	Very high	95.7	Very high	45 Å²	45	38.9 Å²	38.9	46%	0.464	24%	0.236	S	C	.	.	S	Bend	trans	63.3	-147.5	176.8	0	0	0	0	0	114.3	D220	G171-D220 VanDerWaalsContact O-CB 3.28Å; G171-D220 WeakPolarHBondContact O-CB 3.5Å; G171-D220 PolarHBondContact O-N 2.84Å
172	Q	95.4	Very high	95.7	Very high	134 Å²	134	38.8 Å²	38.8	63%	0.626	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	138	-178.2	-59.8	-176.8	-3.3	0	0	109.4	W218 N219	Q172-W218 WeakPolarHBondContact CA-O 3.39Å; Q172-N219 HydrophobicContact CG-CB 4.31Å; Q172-N219 WeakPolarHBondContact CG-OD1 3.24Å; Q172-N219 PolarHBondContact NE2-OD1 2.99Å; Q172-N219 VanDerWaalsContact NE2-OD1 3.13Å
173	Q	95.4	Very high	95.6	Very high	34 Å²	34	34.6 Å²	34.6	16%	0.159	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123.9	176.3	-169.6	-175	-96.9	0	0	110.3	L216 G217 W218	Q173-L216 PolarHBondContact NE2-O 3.17Å; Q173-G217 CarbonylContact O-C 3.56Å; Q173-G217 WeakPolarHBondContact O-CA 3.32Å; Q173-W218 HydrophobicContact CB-CD2 3.77Å; Q173-W218 HydrophobicContact CB-CE3 4.23Å; Q173-W218 HydrophobicContact CB-CG 4.26Å; Q173-W218 HydrophobicContact CB-CH2 4.26Å; Q173-W218 HydrophobicContact CB-CZ2 3.79Å; Q173-W218 HydrophobicContact CB-CZ3 4.46Å; Q173-W218 HydrophobicContact CG-CH2 4.43Å; Q173-W218 HydrophobicContact CG-CZ2 4.34Å; Q173-W218 PolarHBondContact N-O 3.17Å; Q173-W218 VanDerWaalsContact NE2-CH2 3.3Å; Q173-W218 PolarHBondContact O-N 3.2Å; Q173-W218 VanDerWaalsContact OE1-CH2 3.25Å
174	A	96.3	Very high	95.4	Very high	80 Å²	80	35 Å²	35	66%	0.661	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64	147.1	170.2	0	0	0	0	0	111	K176	A174-K176 PolarHBondContact O-N 2.94Å
175	P	97.3	Very high	94.9	Very high	19 Å²	19	36.4 Å²	36.4	12%	0.123	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	114	-179.9	-27	35.6	0	0	0	113.6	H215 Y226 Q228 R230	P175-H215 HydrophobicContact CB-CB 3.95Å; P175-Y226 HydrophobicContact CG-CD2 4.48Å; P175-Q228 HydrophobicContact CB-CB 3.84Å; P175-Q228 HydrophobicContact CB-CG 4.48Å; P175-Q228 HydrophobicContact CG-CB 4.23Å; P175-R230 PolarHBondContact O-NH1 2.7Å
176	K	96.5	Very high	94.6	Very high	49 Å²	49	39.3 Å²	39.3	21%	0.213	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	158.5	178	79.8	-172	-176.4	-163.4	0	111	A174 F178 N188 F190 H215 L216	A174-K176 PolarHBondContact O-N 2.94Å; K176-F178 PolarHBondContact O-N 3.32Å; K176-N188 PolarHBondContact NZ-O 2.85Å; K176-F190 HydrophobicContact CD-CE2 4.16Å; K176-F190 HydrophobicContact CD-CZ 4.37Å; K176-F190 HydrophobicContact CG-CE2 3.73Å; K176-F190 HydrophobicContact CG-CZ 4.07Å; K176-H215 VanDerWaalsContact C-CD2 3.47Å; K176-H215 CarbonylContact O-C 3.4Å; K176-H215 WeakPolarHBondContact O-CA 3.32Å; K176-H215 WeakPolarHBondContact O-CB 3.46Å; K176-L216 PolarHBondContact N-O 2.78Å; K176-L216 PolarHBondContact O-N 3.1Å
177	P	97	Very high	94.4	Very high	14 Å²	14	41 Å²	41	9%	0.091	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	129	-176.7	-23.3	33.1	0	0	0	111.9	V179 F190 H215 P235 Y236 W441	P177-V179 HydrophobicContact CB-CG1 4.03Å; P177-V179 HydrophobicContact CB-CG2 4.34Å; P177-V179 PolarHBondContact O-N 2.94Å; P177-V179 VanDerWaalsContact O-N 3.14Å; P177-F190 WeakPolarHBondContact O-CE2 3.5Å; P177-H215 VanDerWaalsContact N-CD2 3.32Å; P177-P235 HydrophobicContact CB-CG 4.08Å; P177-P235 HydrophobicContact CG-CG 4.18Å; P177-Y236 HydrophobicContact CB-CE2 4Å; P177-W441 HydrophobicContact CG-CH2 3.67Å; P177-W441 HydrophobicContact CG-CZ3 4.06Å
178	F	97.8	Very high	94.2	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	27%	0.27	C	S	.	.			trans	-88.2	80.7	179.9	-169	-102	0	0	0	109.5	A158 K176 F190 L194 R196 W198 F214 L216 Y236	A158-F178 HydrophobicContact CB-CE2 4.28Å; A158-F178 HydrophobicContact CB-CZ 4.17Å; K176-F178 PolarHBondContact O-N 3.32Å; F178-F190 HydrophobicContact CB-CE2 4.31Å; F178-F190 AromaticContact CD2-CD1 3.93Å; F178-F190 HydrophobicContact CD2-CD1 3.93Å; F178-F190 AromaticContact CD2-CD2 3.76Å; F178-F190 HydrophobicContact CD2-CD2 3.76Å; F178-F190 AromaticContact CD2-CE1 3.86Å; F178-F190 HydrophobicContact CD2-CE1 3.86Å; F178-F190 AromaticContact CD2-CE2 3.67Å; F178-F190 HydrophobicContact CD2-CE2 3.67Å; F178-F190 AromaticContact CD2-CG 3.88Å; F178-F190 HydrophobicContact CD2-CG 3.88Å; F178-F190 AromaticContact CD2-CZ 3.73Å; F178-F190 HydrophobicContact CD2-CZ 3.73Å; F178-F190 AromaticContact CE2-CD1 3.81Å; F178-F190 HydrophobicContact CE2-CD1 3.81Å; F178-F190 HydrophobicContact CE2-CD2 4.37Å; F178-F190 AromaticContact CE2-CE1 3.98Å; F178-F190 HydrophobicContact CE2-CE1 3.98Å; F178-F190 HydrophobicContact CE2-CG 4.02Å; F178-F190 HydrophobicContact CE2-CZ 4.32Å; F178-F190 HydrophobicContact CG-CD2 4.42Å; F178-F190 HydrophobicContact CG-CE2 4.41Å; F178-L194 HydrophobicContact CD1-CD1 3.93Å; F178-L194 HydrophobicContact CE1-CB 4.35Å; F178-L194 HydrophobicContact CE1-CD1 3.63Å; F178-L194 HydrophobicContact CE1-CD2 4.48Å; F178-L194 HydrophobicContact CE1-CG 4.38Å; F178-L194 HydrophobicContact CZ-CB 4.33Å; F178-L194 HydrophobicContact CZ-CD1 4.41Å; F178-R196 HydrophobicContact CD1-CG 3.85Å; F178-R196 HydrophobicContact CE1-CG 3.94Å; F178-W198 HydrophobicContact CE1-CH2 4.03Å; F178-W198 HydrophobicContact CE1-CZ2 4.45Å; F178-W198 HydrophobicContact CE2-CH2 4.29Å; F178-W198 HydrophobicContact CE2-CZ2 4.05Å; F178-W198 AromaticContact CZ-CH2 3.83Å; F178-W198 HydrophobicContact CZ-CH2 3.83Å; F178-W198 AromaticContact CZ-CZ2 3.79Å; F178-W198 HydrophobicContact CZ-CZ2 3.79Å; F178-F214 HydrophobicContact CB-CD1 3.48Å; F178-F214 VanDerWaalsContact CB-CD1 3.48Å; F178-F214 HydrophobicContact CB-CE1 3.82Å; F178-F214 HydrophobicContact CB-CG 4.43Å; F178-F214 AromaticContact CD1-CD1 3.76Å; F178-F214 HydrophobicContact CD1-CD1 3.76Å; F178-F214 AromaticContact CD1-CE1 3.88Å; F178-F214 HydrophobicContact CD1-CE1 3.88Å; F178-F214 HydrophobicContact CD2-CE1 4.27Å; F178-F214 HydrophobicContact CE1-CE1 4.49Å; F178-F214 AromaticContact CG-CD1 3.75Å; F178-F214 HydrophobicContact CG-CD1 3.75Å; F178-F214 AromaticContact CG-CE1 3.72Å; F178-F214 HydrophobicContact CG-CE1 3.72Å; F178-F214 PolarHBondContact N-O 3.05Å; F178-L216 HydrophobicContact CB-CB 4.45Å; F178-L216 HydrophobicContact CD2-CB 3.79Å; F178-L216 HydrophobicContact CD2-CD2 3.72Å; F178-L216 HydrophobicContact CD2-CG 4.43Å; F178-L216 HydrophobicContact CE2-CD2 3.59Å; F178-L216 HydrophobicContact CG-CB 4.44Å; F178-Y236 PolarHBondContact N-OH 2.81Å; F178-Y236 PolarHBondContact O-OH 2.99Å; F178-Y236 VanDerWaalsContact O-OH 3.1Å
179	V	97.2	Very high	94.3	Very high	19 Å²	19	41.2 Å²	41.2	12%	0.115	25%	0.246	C	C	.	.			trans	-133.3	153.5	-173.1	-55.8	0	0	0	0	110	P177 L194 Y236 T436 P452	P177-V179 HydrophobicContact CB-CG1 4.03Å; P177-V179 HydrophobicContact CB-CG2 4.34Å; P177-V179 PolarHBondContact O-N 2.94Å; P177-V179 VanDerWaalsContact O-N 3.14Å; V179-L194 VanDerWaalsContact C-CD2 3.47Å; V179-Y236 WeakPolarHBondContact CG1-OH 3.19Å; V179-T436 HydrophobicContact CB-CG2 3.82Å; V179-T436 HydrophobicContact CG1-CG2 4.27Å; V179-T436 HydrophobicContact CG2-CG2 4.07Å; V179-P452 HydrophobicContact CG1-CG 3.72Å
180	T	97.4	Very high	94.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-63.4	139.6	-178	46.5	0	0	0	0	111.3	G191 G192 L194 T436 N437 T456	T180-G191 WeakPolarHBondContact CA-O 3.46Å; T180-G192 VanDerWaalsContact CG2-O 3.26Å; T180-G192 WeakPolarHBondContact CG2-O 3.35Å; T180-L194 HydrophobicContact CG2-CD2 3.78Å; T180-L194 HydrophobicContact CG2-CG 3.77Å; T180-T436 WeakPolarHBondContact O-CA 3.32Å; T180-T436 WeakPolarHBondContact O-CB 3.4Å; T180-T436 PolarHBondContact O-N 2.83Å; T180-T436 WeakPolarHBondContact OG1-CB 3.06Å; T180-T436 PolarHBondContact OG1-N 3.28Å; T180-T436 PolarHBondContact OG1-OG1 2.89Å; T180-N437 PolarHBondContact O-N 2.85Å; T180-T456 HydrophobicContact CG2-CG2 4.36Å; T180-T456 PolarHBondContact OG1-OG1 2.99Å
181	S	96.5	Very high	94.8	Very high	5 Å²	5	36.2 Å²	36.2	4%	0.035	21%	0.212	C	C	.	.			trans	-142.6	139.3	-178.5	-171.1	0	0	0	0	111	I183 N186 F190 G191 N437	S181-I183 PolarHBondContact O-N 2.84Å; S181-N186 PolarHBondContact OG-ND2 2.92Å; S181-F190 VanDerWaalsContact CA-O 3.29Å; S181-F190 WeakPolarHBondContact CA-O 3.37Å; S181-F190 WeakPolarHBondContact CB-O 3.19Å; S181-F190 PolarHBondContact N-O 2.87Å; S181-G191 PolarHBondContact N-O 3.47Å; S181-G191 CarbonylContact O-C 3.58Å; S181-G191 VanDerWaalsContact O-C 3.27Å; S181-G191 WeakPolarHBondContact O-CA 2.96Å; S181-N437 VanDerWaalsContact CA-OD1 3.31Å; S181-N437 WeakPolarHBondContact CA-OD1 3.46Å; S181-N437 WeakPolarHBondContact OG-CB 3.35Å; S181-N437 PolarHBondContact OG-ND2 2.03Å
182	D	95.7	Very high	95	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.19	C	C	.	.			trans	-65.7	102.1	161.7	173.6	39.8	0	0	0	110.1	Y184 S185 N186 N437 Y438 R473	D182-Y184 PolarHBondContact O-N 3.31Å; D182-Y184 WeakPolarHBondContact OD1-CB 3.15Å; D182-Y184 PolarHBondContact OD1-N 3.08Å; D182-S185 PolarHBondContact O-N 2.92Å; D182-S185 WeakPolarHBondContact OD2-CB 3.44Å; D182-S185 PolarHBondContact OD2-N 2.64Å; D182-S185 PolarHBondContact OD2-OG 3.35Å; D182-N186 WeakPolarHBondContact O-CB 3.47Å; D182-N186 PolarHBondContact O-N 3.05Å; D182-N437 PolarHBondContact N-OD1 3.2Å; D182-Y438 HydrophobicContact CB-CE2 3.88Å; D182-Y438 WeakPolarHBondContact CB-OH 3.29Å; D182-Y438 VanDerWaalsContact CG-OH 3.23Å; D182-Y438 PolarHBondContact OD2-OH 2.9Å; D182-R473 IonicContact OD1-CZ 2.7Å; D182-R473 IonicContact OD1-NH2 3.36Å; D182-R473 PolarHBondContact OD1-NH2 2.58Å
183	I	94.4	Very high	95.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-10.8	176.5	65.8	-159.1	0	0	0	112.6	E159 A161 S181 N186 R187 I488 L498	E159-I183 HydrophobicContact CG-CD1 3.78Å; A161-I183 HydrophobicContact CB-CB 4.21Å; A161-I183 HydrophobicContact CB-CG1 4.38Å; S181-I183 PolarHBondContact O-N 2.84Å; I183-N186 WeakPolarHBondContact CA-O 3.43Å; I183-N186 CarbonylContact O-C 3.54Å; I183-R187 WeakPolarHBondContact O-CA 3.42Å; I183-R187 PolarHBondContact O-N 2.63Å; I183-R187 PolarHBondContact O-NH1 2.97Å; I183-I488 HydrophobicContact CB-CD1 4.5Å; I183-I488 HydrophobicContact CD1-CB 4.2Å; I183-I488 HydrophobicContact CD1-CD1 3.98Å; I183-I488 HydrophobicContact CG1-CB 4.09Å; I183-I488 HydrophobicContact CG1-CD1 3.69Å; I183-I488 HydrophobicContact CG1-CG1 4.44Å; I183-I488 HydrophobicContact CG1-CG2 3.9Å; I183-L498 HydrophobicContact CD1-CD2 4.3Å; I183-L498 HydrophobicContact CG1-CD2 4.32Å
184	Y	90.9	Very high	95.2	Very high	14 Å²	14	26 Å²	26	6%	0.055	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-33.4	171.9	-152.7	-88.2	0	0	0	112.2	D182 R187 I488 D489 D491 L498 N526 Y528 N530 R531 T532	D182-Y184 PolarHBondContact O-N 3.31Å; D182-Y184 WeakPolarHBondContact OD1-CB 3.15Å; D182-Y184 PolarHBondContact OD1-N 3.08Å; Y184-R187 VanDerWaalsContact C-NH1 3.27Å; Y184-R187 VanDerWaalsContact CA-NH1 3.31Å; Y184-R187 PolarHBondContact O-NH1 2.97Å; Y184-I488 HydrophobicContact CD2-CG2 4.45Å; Y184-D489 HydrophobicContact CD2-CB 4.16Å; Y184-D489 VanDerWaalsContact CD2-O 3.25Å; Y184-D489 WeakPolarHBondContact CD2-O 3.46Å; Y184-D489 HydrophobicContact CE2-CB 4.45Å; Y184-D491 PolarHBondContact OH-OD1 2.94Å; Y184-L498 HydrophobicContact CD2-CD1 3.79Å; Y184-L498 HydrophobicContact CE2-CD1 4.08Å; Y184-N526 PolarHBondContact OH-ND2 2.56Å; Y184-Y528 PolarHBondContact OH-O 3.06Å; Y184-N530 VanDerWaalsContact OH-C 3.25Å; Y184-N530 VanDerWaalsContact OH-CA 3.28Å; Y184-N530 WeakPolarHBondContact OH-CA 3.32Å; Y184-N530 PolarHBondContact OH-N 2.94Å; Y184-R531 PolarHBondContact OH-N 3.01Å; Y184-R531 PolarHBondContact OH-O 2.97Å; Y184-T532 HydrophobicContact CD1-CG2 3.79Å; Y184-T532 HydrophobicContact CE1-CG2 3.84Å
185	S	88	Confident	95.3	Very high	77 Å²	77	22.4 Å²	22.4	54%	0.538	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-25.2	169.1	-54.8	0	0	0	0	113.3	D182	D182-S185 PolarHBondContact O-N 2.92Å; D182-S185 WeakPolarHBondContact OD2-CB 3.44Å; D182-S185 PolarHBondContact OD2-N 2.64Å; D182-S185 PolarHBondContact OD2-OG 3.35Å
186	N	91.8	Very high	95.3	Very high	67 Å²	67	21.5 Å²	21.5	36%	0.358	12%	0.116	S	C	.	.			trans	-135.8	79.1	-174.6	176	24.4	0	0	0	111.3	S181 D182 I183 N188 G189	S181-N186 PolarHBondContact OG-ND2 2.92Å; D182-N186 WeakPolarHBondContact O-CB 3.47Å; D182-N186 PolarHBondContact O-N 3.05Å; I183-N186 WeakPolarHBondContact CA-O 3.43Å; I183-N186 CarbonylContact O-C 3.54Å; N186-N188 PolarHBondContact O-N 3.24Å; N186-G189 PolarHBondContact O-N 2.82Å
187	R	92.3	Very high	95.4	Very high	59 Å²	59	19.2 Å²	19.2	22%	0.223	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-31.3	-177.4	-69.2	-68.1	-174.9	-80	-0.4	114.9	A161 I183 Y184 G189 D491 E497 N530	A161-R187 HydrophobicContact CB-CB 4.27Å; A161-R187 WeakPolarHBondContact CB-O 3.39Å; I183-R187 WeakPolarHBondContact O-CA 3.42Å; I183-R187 PolarHBondContact O-N 2.63Å; I183-R187 PolarHBondContact O-NH1 2.97Å; Y184-R187 VanDerWaalsContact C-NH1 3.27Å; Y184-R187 VanDerWaalsContact CA-NH1 3.31Å; Y184-R187 PolarHBondContact O-NH1 2.97Å; R187-G189 VanDerWaalsContact C-N 3.33Å; R187-D491 IonicContact NH2-OD2 3.32Å; R187-E497 WeakPolarHBondContact CD-OE1 3.43Å; R187-E497 IonicContact NE-OE1 2.69Å; R187-E497 PolarHBondContact NE-OE1 2.76Å; R187-N530 PolarHBondContact NH2-OD1 3.23Å
188	N	91.8	Very high	95.5	Very high	126 Å²	126	18.7 Å²	18.7	67%	0.674	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.6	179.7	-66.2	-45	0	0	0	113.5	K176 N186	K176-N188 PolarHBondContact NZ-O 2.85Å; N186-N188 PolarHBondContact O-N 3.24Å
189	G	94.1	Very high	95.5	Very high	6 Å²	6	18.7 Å²	18.7	6%	0.062	10%	0.102	C	C	.	.	S	Bend	trans	-64.8	175	-176.6	0	0	0	0	0	114.9	N186 R187	N186-G189 PolarHBondContact O-N 2.82Å; R187-G189 VanDerWaalsContact C-N 3.33Å
190	F	96.3	Very high	95.5	Very high	10 Å²	10	17.8 Å²	17.8	4%	0.044	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-94.2	134.5	161.4	-53.9	-65.2	0	0	0	106.9	A158 K176 P177 F178 S181 L194 L216 W218	A158-F190 HydrophobicContact CB-CB 3.92Å; A158-F190 HydrophobicContact CB-CD1 4.35Å; K176-F190 HydrophobicContact CD-CE2 4.16Å; K176-F190 HydrophobicContact CD-CZ 4.37Å; K176-F190 HydrophobicContact CG-CE2 3.73Å; K176-F190 HydrophobicContact CG-CZ 4.07Å; P177-F190 WeakPolarHBondContact O-CE2 3.5Å; F178-F190 HydrophobicContact CB-CE2 4.31Å; F178-F190 AromaticContact CD2-CD1 3.93Å; F178-F190 HydrophobicContact CD2-CD1 3.93Å; F178-F190 AromaticContact CD2-CD2 3.76Å; F178-F190 HydrophobicContact CD2-CD2 3.76Å; F178-F190 AromaticContact CD2-CE1 3.86Å; F178-F190 HydrophobicContact CD2-CE1 3.86Å; F178-F190 AromaticContact CD2-CE2 3.67Å; F178-F190 HydrophobicContact CD2-CE2 3.67Å; F178-F190 AromaticContact CD2-CG 3.88Å; F178-F190 HydrophobicContact CD2-CG 3.88Å; F178-F190 AromaticContact CD2-CZ 3.73Å; F178-F190 HydrophobicContact CD2-CZ 3.73Å; F178-F190 AromaticContact CE2-CD1 3.81Å; F178-F190 HydrophobicContact CE2-CD1 3.81Å; F178-F190 HydrophobicContact CE2-CD2 4.37Å; F178-F190 AromaticContact CE2-CE1 3.98Å; F178-F190 HydrophobicContact CE2-CE1 3.98Å; F178-F190 HydrophobicContact CE2-CG 4.02Å; F178-F190 HydrophobicContact CE2-CZ 4.32Å; F178-F190 HydrophobicContact CG-CD2 4.42Å; F178-F190 HydrophobicContact CG-CE2 4.41Å; S181-F190 VanDerWaalsContact CA-O 3.29Å; S181-F190 WeakPolarHBondContact CA-O 3.37Å; S181-F190 WeakPolarHBondContact CB-O 3.19Å; S181-F190 PolarHBondContact N-O 2.87Å; F190-L194 HydrophobicContact CB-CD2 3.86Å; F190-L216 HydrophobicContact CE1-CD2 3.95Å; F190-L216 HydrophobicContact CZ-CB 3.93Å; F190-L216 HydrophobicContact CZ-CD2 4.18Å; F190-L216 HydrophobicContact CZ-CG 4.38Å; F190-W218 HydrophobicContact CE1-CZ3 4.11Å; F190-W218 HydrophobicContact CZ-CZ3 4.5Å
191	G	95.4	Very high	95.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.			trans	-62.8	-172.1	-164.6	0	0	0	0	0	117.4	E159 T180 S181 I193	E159-G191 WeakPolarHBondContact O-CA 3.26Å; E159-G191 PolarHBondContact O-N 2.88Å; T180-G191 WeakPolarHBondContact CA-O 3.46Å; S181-G191 PolarHBondContact N-O 3.47Å; S181-G191 CarbonylContact O-C 3.58Å; S181-G191 VanDerWaalsContact O-C 3.27Å; S181-G191 WeakPolarHBondContact O-CA 2.96Å; G191-I193 PolarHBondContact O-N 3.21Å
192	G	96.7	Very high	95.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-63.6	-33.6	-179.8	0	0	0	0	0	111.2	E159 T180 S474 G475	E159-G192 PolarHBondContact OE2-N 2.82Å; T180-G192 VanDerWaalsContact CG2-O 3.26Å; T180-G192 WeakPolarHBondContact CG2-O 3.35Å; G192-S474 CarbonylContact O-C 3.6Å; G192-S474 WeakPolarHBondContact O-CA 3.35Å; G192-S474 WeakPolarHBondContact O-CB 3.22Å; G192-G475 PolarHBondContact O-N 2.99Å
193	I	98.2	Very high	95.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-115.4	124.8	-179.6	-58.2	164.9	0	0	0	110.1	E159 G191 F485 I510 Y515	E159-I193 PolarHBondContact N-O 2.9Å; E159-I193 VanDerWaalsContact N-O 3.09Å; G191-I193 PolarHBondContact O-N 3.21Å; I193-F485 HydrophobicContact CD1-CB 3.94Å; I193-F485 HydrophobicContact CD1-CD1 4.27Å; I193-I510 HydrophobicContact CD1-CD1 3.91Å; I193-I510 HydrophobicContact CD1-CG1 4.22Å; I193-I510 HydrophobicContact CD1-CG2 4.23Å; I193-I510 HydrophobicContact CG2-CG1 4.47Å; I193-Y515 HydrophobicContact CG2-CD2 3.58Å; I193-Y515 HydrophobicContact CG2-CE2 3.68Å; I193-Y515 HydrophobicContact CG2-CG 4.18Å
194	L	97.4	Very high	95.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	155.5	174.2	64.7	85.6	0	0	0	112.7	G157 A158 F178 V179 T180 F190 G475 Y476	G157-L194 WeakPolarHBondContact O-CA 3.28Å; G157-L194 WeakPolarHBondContact O-CB 3.39Å; A158-L194 HydrophobicContact CB-CB 3.55Å; A158-L194 HydrophobicContact CB-CD2 4.49Å; F178-L194 HydrophobicContact CD1-CD1 3.93Å; F178-L194 HydrophobicContact CE1-CB 4.35Å; F178-L194 HydrophobicContact CE1-CD1 3.63Å; F178-L194 HydrophobicContact CE1-CD2 4.48Å; F178-L194 HydrophobicContact CE1-CG 4.38Å; F178-L194 HydrophobicContact CZ-CB 4.33Å; F178-L194 HydrophobicContact CZ-CD1 4.41Å; V179-L194 VanDerWaalsContact C-CD2 3.47Å; T180-L194 HydrophobicContact CG2-CD2 3.78Å; T180-L194 HydrophobicContact CG2-CG 3.77Å; F190-L194 HydrophobicContact CB-CD2 3.86Å; L194-G475 PolarHBondContact N-O 3.33Å; L194-Y476 HydrophobicContact CD1-CD2 3.59Å; L194-Y476 HydrophobicContact CD1-CE2 3.82Å
195	E	98.1	Very high	96	Very high	3 Å²	3	19.4 Å²	19.4	1%	0.014	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.3	164.5	-66.8	-62	160	0	0	110.3	G157 Y197 Q477 Q479 L513 Y515	G157-E195 CarbonylContact C-O 3.53Å; G157-E195 WeakPolarHBondContact CA-O 3.48Å; G157-E195 PolarHBondContact O-N 2.81Å; E195-Y197 PolarHBondContact O-N 2.78Å; E195-Q477 WeakPolarHBondContact OE1-CA 3.26Å; E195-Q477 PolarHBondContact OE1-N 2.73Å; E195-Q479 VanDerWaalsContact CG-NE2 3.34Å; E195-Q479 PolarHBondContact OE1-NE2 2.88Å; E195-L513 HydrophobicContact CB-CB 4.49Å; E195-L513 HydrophobicContact CB-CD2 3.76Å; E195-L513 HydrophobicContact CG-CB 4.15Å; E195-L513 HydrophobicContact CG-CD2 4.35Å; E195-Y515 HydrophobicContact CG-CE2 4.09Å; E195-Y515 PolarHBondContact OE1-OH 2.79Å
196	R	97.8	Very high	96.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	49.1	176.5	-51.7	-178.6	-174	172.1	2.4	112.2	F178 W198 K207 I208 N209 D210 V212 F214 D451 Y476	F178-R196 HydrophobicContact CD1-CG 3.85Å; F178-R196 HydrophobicContact CE1-CG 3.94Å; R196-W198 HydrophobicContact CB-CZ3 4.26Å; R196-K207 WeakPolarHBondContact O-CA 3.45Å; R196-I208 HydrophobicContact CB-CB 3.85Å; R196-I208 HydrophobicContact CB-CG1 4.19Å; R196-I208 PolarHBondContact O-N 3.01Å; R196-N209 PolarHBondContact NH1-O 2.93Å; R196-N209 VanDerWaalsContact NH1-O 3.09Å; R196-D210 PolarHBondContact NH1-O 2.94Å; R196-D210 VanDerWaalsContact NH1-O 3.1Å; R196-V212 PolarHBondContact NH1-O 3Å; R196-V212 PolarHBondContact NH2-O 2.71Å; R196-F214 HydrophobicContact CG-CD1 4.14Å; R196-D451 IonicContact CZ-OD2 2.74Å; R196-D451 VanDerWaalsContact NH2-CG 3.32Å; R196-D451 IonicContact NH2-OD1 2.73Å; R196-D451 IonicContact NH2-OD2 3.91Å; R196-D451 PolarHBondContact NH2-OD2 2.72Å; R196-Y476 PolarHBondContact NE-OH 2.98Å; R196-Y476 PolarHBondContact NH2-OH 2.89Å
197	Y	98.5	Very high	96.8	Very high	1 Å²	1	13.2 Å²	13.2	0%	0.004	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.1	-172.9	172	-103.7	0	0	0	110.5	G157 E195 L199 A205 I206 H262 M265 F270	G157-Y197 PolarHBondContact N-O 2.91Å; E195-Y197 PolarHBondContact O-N 2.78Å; Y197-L199 HydrophobicContact CE1-CB 4.12Å; Y197-A205 HydrophobicContact CE2-CB 4.05Å; Y197-I206 VanDerWaalsContact CA-O 3.29Å; Y197-I206 WeakPolarHBondContact CA-O 3.17Å; Y197-I206 VanDerWaalsContact CD2-O 3.29Å; Y197-I206 WeakPolarHBondContact CD2-O 3.14Å; Y197-H262 AromaticContact CE1-ND1 3.85Å; Y197-H262 AromaticContact CZ-ND1 3.8Å; Y197-H262 PolarHBondContact OH-ND1 2.98Å; Y197-H262 VanDerWaalsContact OH-ND1 3.1Å; Y197-M265 HydrophobicContact CD2-CE 4.03Å; Y197-M265 HydrophobicContact CE2-CB 3.66Å; Y197-M265 HydrophobicContact CE2-CE 3.77Å; Y197-M265 HydrophobicContact CE2-CG 3.93Å; Y197-F270 HydrophobicContact CD1-CE2 4.45Å; Y197-F270 AromaticContact CD1-CZ 3.75Å; Y197-F270 HydrophobicContact CD1-CZ 3.75Å; Y197-F270 HydrophobicContact CD2-CZ 4.35Å; Y197-F270 HydrophobicContact CE1-CZ 4.4Å; Y197-F270 HydrophobicContact CG-CE1 4.23Å; Y197-F270 AromaticContact CG-CZ 3.72Å; Y197-F270 HydrophobicContact CG-CZ 3.72Å
198	W	98.4	Very high	97.1	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.015	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.5	172.9	-69.4	-93.2	0	0	0	110.4	W154 Y155 F178 R196 A205 I206 I208 F214 L216	W154-W198 HydrophobicContact CE3-CB 3.97Å; W154-W198 HydrophobicContact CZ3-CB 4.09Å; Y155-W198 CarbonylContact O-C 3.49Å; Y155-W198 VanDerWaalsContact O-CA 3.31Å; Y155-W198 WeakPolarHBondContact O-CA 3.32Å; F178-W198 HydrophobicContact CE1-CH2 4.03Å; F178-W198 HydrophobicContact CE1-CZ2 4.45Å; F178-W198 HydrophobicContact CE2-CH2 4.29Å; F178-W198 HydrophobicContact CE2-CZ2 4.05Å; F178-W198 AromaticContact CZ-CH2 3.83Å; F178-W198 HydrophobicContact CZ-CH2 3.83Å; F178-W198 AromaticContact CZ-CZ2 3.79Å; F178-W198 HydrophobicContact CZ-CZ2 3.79Å; R196-W198 HydrophobicContact CB-CZ3 4.26Å; W198-A205 CarbonylContact O-C 3.55Å; W198-A205 VanDerWaalsContact O-CA 3.25Å; W198-A205 WeakPolarHBondContact O-CA 3.28Å; W198-I206 HydrophobicContact CB-CB 4.35Å; W198-I206 HydrophobicContact CB-CD1 4.47Å; W198-I206 PolarHBondContact N-O 3.39Å; W198-I206 PolarHBondContact O-N 3.01Å; W198-I208 HydrophobicContact CZ3-CG1 3.88Å; W198-F214 AromaticContact CH2-CE1 3.75Å; W198-F214 HydrophobicContact CH2-CE1 3.75Å; W198-F214 HydrophobicContact CH2-CZ 4.09Å; W198-F214 HydrophobicContact CZ3-CE1 4.32Å; W198-F214 HydrophobicContact CZ3-CZ 4.41Å; W198-L216 HydrophobicContact CZ2-CD2 3.88Å
199	L	98.3	Very high	97.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.9	177.4	177.6	62.6	0	0	0	108.9	W154 Y155 Y197 T204 A205 V258 I261 H262 W608	W154-L199 CarbonylContact C-O 3.57Å; W154-L199 WeakPolarHBondContact CA-O 3.21Å; Y155-L199 HydrophobicContact CD2-CB 4.41Å; Y155-L199 HydrophobicContact CD2-CG 4.29Å; Y155-L199 PolarHBondContact N-O 3.36Å; Y155-L199 PolarHBondContact O-N 3.42Å; Y197-L199 HydrophobicContact CE1-CB 4.12Å; L199-T204 CarbonylContact C-O 3.52Å; L199-A205 HydrophobicContact CD1-CB 4.17Å; L199-V258 HydrophobicContact CD1-CG2 4.08Å; L199-V258 HydrophobicContact CD2-CG2 3.94Å; L199-V258 HydrophobicContact CG-CG2 3.96Å; L199-I261 HydrophobicContact CD1-CG2 3.53Å; L199-H262 HydrophobicContact CD1-CB 4.31Å; L199-H262 HydrophobicContact CD2-CB 3.82Å; L199-W608 HydrophobicContact CD2-CH2 3.46Å; L199-W608 VanDerWaalsContact CD2-CH2 3.46Å; L199-W608 HydrophobicContact CD2-CZ2 3.83Å; L199-W608 HydrophobicContact CD2-CZ3 4.4Å
200	S	97.6	Very high	97.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.1	177.8	-165.6	0	0	0	0	113.2	S152 H153 N202 A203 T204	S152-S200 WeakPolarHBondContact CB-OG 3.33Å; S152-S200 PolarHBondContact OG-OG 3.39Å; H153-S200 CarbonylContact O-C 3.53Å; H153-S200 WeakPolarHBondContact O-CA 3.19Å; H153-S200 WeakPolarHBondContact O-CB 3.02Å; H153-S200 PolarHBondContact O-OG 3.4Å; S200-N202 PolarHBondContact O-N 3.41Å; S200-N202 VanDerWaalsContact O-N 3.12Å; S200-A203 PolarHBondContact O-N 3.26Å; S200-A203 VanDerWaalsContact O-N 3.15Å; S200-T204 WeakPolarHBondContact CB-O 3.22Å; S200-T204 PolarHBondContact N-O 2.71Å
201	S	97.1	Very high	97.1	Very high	11 Å²	11	12.9 Å²	12.9	8%	0.077	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.1	179.9	60.7	0	0	0	0	114.1	H153 A203 Y618	H153-S201 PolarHBondContact N-OG 3.15Å; H153-S201 PolarHBondContact O-N 3.25Å; S201-A203 PolarHBondContact O-N 3.04Å; S201-Y618 VanDerWaalsContact CB-CG 3.5Å
202	N	95.8	Very high	97.2	Very high	38 Å²	38	13 Å²	13	20%	0.203	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	24.3	176.4	73.2	5.7	0	0	0	114.3	V83 S152 S200 T204	V83-N202 HydrophobicContact CG1-CB 4.42Å; V83-N202 PolarHBondContact O-ND2 3.23Å; S152-N202 PolarHBondContact OG-ND2 3.32Å; S200-N202 PolarHBondContact O-N 3.41Å; S200-N202 VanDerWaalsContact O-N 3.12Å; N202-T204 PolarHBondContact O-N 3.38Å; N202-T204 WeakPolarHBondContact OD1-CB 3.39Å; N202-T204 PolarHBondContact OD1-N 3Å; N202-T204 PolarHBondContact OD1-OG1 3.12Å
203	A	96.2	Very high	97.2	Very high	5 Å²	5	13.1 Å²	13.1	4%	0.041	8%	0.077	C	C	.	.	S	Bend	trans	61.3	21.3	-176.8	0	0	0	0	0	115.7	S200 S201 V254 G255 D257 I261	S200-A203 PolarHBondContact O-N 3.26Å; S200-A203 VanDerWaalsContact O-N 3.15Å; S201-A203 PolarHBondContact O-N 3.04Å; A203-V254 WeakPolarHBondContact O-CA 3.42Å; A203-G255 PolarHBondContact O-N 3.22Å; A203-D257 VanDerWaalsContact CB-C 3.42Å; A203-I261 HydrophobicContact CB-CG2 4.43Å
204	T	97.2	Very high	97.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.4	172.7	-53.4	0	0	0	0	111.2	F84 W154 L199 S200 N202 V252 C253 V254	F84-T204 HydrophobicContact CB-CG2 4.39Å; F84-T204 HydrophobicContact CD2-CG2 3.91Å; F84-T204 HydrophobicContact CG-CG2 4.43Å; W154-T204 HydrophobicContact CH2-CG2 4.34Å; L199-T204 CarbonylContact C-O 3.52Å; S200-T204 WeakPolarHBondContact CB-O 3.22Å; S200-T204 PolarHBondContact N-O 2.71Å; N202-T204 PolarHBondContact O-N 3.38Å; N202-T204 WeakPolarHBondContact OD1-CB 3.39Å; N202-T204 PolarHBondContact OD1-N 3Å; N202-T204 PolarHBondContact OD1-OG1 3.12Å; T204-V252 HydrophobicContact CG2-CG1 3.62Å; T204-C253 CarbonylContact C-O 3.59Å; T204-C253 WeakPolarHBondContact CA-O 3.12Å; T204-V254 HydrophobicContact CG2-CG2 4.38Å
205	A	98.2	Very high	97.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.4	172.7	0	0	0	0	0	111.9	Y197 W198 L199 V252 C253 I261 M265	Y197-A205 HydrophobicContact CE2-CB 4.05Å; W198-A205 CarbonylContact O-C 3.55Å; W198-A205 VanDerWaalsContact O-CA 3.25Å; W198-A205 WeakPolarHBondContact O-CA 3.28Å; L199-A205 HydrophobicContact CD1-CB 4.17Å; A205-V252 CarbonylContact O-C 3.54Å; A205-V252 WeakPolarHBondContact O-CA 3.31Å; A205-C253 PolarHBondContact N-O 3Å; A205-C253 PolarHBondContact O-N 2.81Å; A205-I261 HydrophobicContact CB-CG1 3.75Å; A205-M265 HydrophobicContact CB-CE 4.12Å; A205-M265 HydrophobicContact CB-CG 3.73Å; A205-M265 HydrophobicContact CB-SD 4.26Å
206	I	98.4	Very high	97.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.2	-178.9	-50.5	172.6	0	0	0	108.9	F84 M147 W154 Y197 W198 I208 F227 Y250 R251	F84-I206 HydrophobicContact CE2-CD1 3.65Å; F84-I206 HydrophobicContact CE2-CG1 4.09Å; F84-I206 HydrophobicContact CZ-CD1 4.09Å; F84-I206 HydrophobicContact CZ-CG1 4.49Å; M147-I206 HydrophobicContact SD-CD1 3.27Å; M147-I206 WeakPolarHBondContact SD-CD1 3.42Å; W154-I206 HydrophobicContact CH2-CD1 3.76Å; W154-I206 HydrophobicContact CH2-CG1 4.21Å; W154-I206 HydrophobicContact CZ3-CD1 3.59Å; W154-I206 HydrophobicContact CZ3-CG1 3.97Å; Y197-I206 VanDerWaalsContact CA-O 3.29Å; Y197-I206 WeakPolarHBondContact CA-O 3.17Å; Y197-I206 VanDerWaalsContact CD2-O 3.29Å; Y197-I206 WeakPolarHBondContact CD2-O 3.14Å; W198-I206 HydrophobicContact CB-CB 4.35Å; W198-I206 HydrophobicContact CB-CD1 4.47Å; W198-I206 PolarHBondContact N-O 3.39Å; W198-I206 PolarHBondContact O-N 3.01Å; I206-I208 HydrophobicContact CG2-CD1 4.07Å; I206-F227 HydrophobicContact CD1-CE2 3.97Å; I206-F227 HydrophobicContact CD1-CZ 4.06Å; I206-F227 HydrophobicContact CG2-CE2 4.31Å; I206-Y250 HydrophobicContact CG2-CD2 4.46Å; I206-R251 CarbonylContact C-O 3.49Å; I206-R251 VanDerWaalsContact CA-O 3.26Å; I206-R251 WeakPolarHBondContact CA-O 3.15Å; I206-R251 WeakPolarHBondContact CG2-O 3.42Å
207	K	98.2	Very high	97.3	Very high	15 Å²	15	13.4 Å²	13.4	7%	0.065	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.3	164.3	-179.6	76	-178	81.3	0	108.9	R196 D210 Y250 R251 M265	R196-K207 WeakPolarHBondContact O-CA 3.45Å; K207-D210 IonicContact NZ-OD1 3.87Å; K207-D210 PolarHBondContact NZ-OD1 3.01Å; K207-Y250 CarbonylContact O-C 3.52Å; K207-Y250 WeakPolarHBondContact O-CA 3.14Å; K207-R251 PolarHBondContact N-O 3.18Å; K207-R251 PolarHBondContact O-N 2.91Å; K207-M265 HydrophobicContact CB-CE 3.81Å
208	I	98.4	Very high	97.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	141.7	168.2	-43.3	-64.1	0	0	0	108.1	R196 W198 I206 V212 F214 F227 Y250	R196-I208 HydrophobicContact CB-CB 3.85Å; R196-I208 HydrophobicContact CB-CG1 4.19Å; R196-I208 PolarHBondContact O-N 3.01Å; W198-I208 HydrophobicContact CZ3-CG1 3.88Å; I206-I208 HydrophobicContact CG2-CD1 4.07Å; I208-V212 HydrophobicContact CG2-CB 3.95Å; I208-V212 HydrophobicContact CG2-CG1 4.18Å; I208-V212 HydrophobicContact CG2-CG2 3.88Å; I208-F214 HydrophobicContact CD1-CE2 4.12Å; I208-F214 HydrophobicContact CD1-CZ 4.38Å; I208-F214 HydrophobicContact CG1-CD2 4.29Å; I208-F214 HydrophobicContact CG1-CE1 4.27Å; I208-F214 HydrophobicContact CG1-CE2 3.91Å; I208-F214 HydrophobicContact CG1-CZ 3.91Å; I208-F214 HydrophobicContact CG2-CD2 3.88Å; I208-F214 HydrophobicContact CG2-CE2 4.3Å; I208-F214 HydrophobicContact CG2-CG 4.13Å; I208-F227 HydrophobicContact CD1-CD2 4.03Å; I208-F227 HydrophobicContact CD1-CE2 4.27Å; I208-F227 HydrophobicContact CD1-CG 4.41Å; I208-Y250 HydrophobicContact CD1-CG 4.14Å
209	N	96.8	Very high	97.1	Very high	65 Å²	65	16 Å²	16	35%	0.348	9%	0.089	S	C	.	.			trans	-68	141.6	175.3	-170.4	-8.3	0	0	0	110	R196 S211 V212 S249	R196-N209 PolarHBondContact NH1-O 2.93Å; R196-N209 VanDerWaalsContact NH1-O 3.09Å; N209-S211 PolarHBondContact ND2-OG 3.48Å; N209-S211 PolarHBondContact O-N 3.06Å; N209-S211 PolarHBondContact OD1-N 3.26Å; N209-S211 PolarHBondContact OD1-OG 2.85Å; N209-V212 HydrophobicContact CB-CG2 4.13Å; N209-V212 WeakPolarHBondContact O-CB 3.36Å; N209-V212 WeakPolarHBondContact O-CG2 3.34Å; N209-V212 PolarHBondContact O-N 3.23Å; N209-V212 VanDerWaalsContact O-N 3.17Å; N209-S249 VanDerWaalsContact CB-O 3.26Å; N209-S249 WeakPolarHBondContact CB-O 3.36Å; N209-S249 PolarHBondContact N-O 2.72Å
210	D	93.4	Very high	96.9	Very high	51 Å²	51	17.8 Å²	17.8	27%	0.273	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-21.9	-173.1	-45.4	-55.3	0	0	0	111.4	R196 K207 V212 Q477	R196-D210 PolarHBondContact NH1-O 2.94Å; R196-D210 VanDerWaalsContact NH1-O 3.1Å; K207-D210 IonicContact NZ-OD1 3.87Å; K207-D210 PolarHBondContact NZ-OD1 3.01Å; D210-V212 PolarHBondContact O-N 2.81Å; D210-Q477 PolarHBondContact OD1-NE2 2.67Å; D210-Q477 PolarHBondContact OD2-NE2 3.12Å
211	S	93.4	Very high	96.8	Very high	77 Å²	77	23.4 Å²	23.4	54%	0.538	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.6	172.1	66	0	0	0	0	114.7	N209	N209-S211 PolarHBondContact ND2-OG 3.48Å; N209-S211 PolarHBondContact O-N 3.06Å; N209-S211 PolarHBondContact OD1-N 3.26Å; N209-S211 PolarHBondContact OD1-OG 2.85Å
212	V	97.3	Very high	96.6	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	15%	0.152	C	C	.	.	S	Bend	trans	-73.2	135.2	179.9	177.8	0	0	0	0	109.8	R196 I208 N209 D210 F214 A229 L248 S249	R196-V212 PolarHBondContact NH1-O 3Å; R196-V212 PolarHBondContact NH2-O 2.71Å; I208-V212 HydrophobicContact CG2-CB 3.95Å; I208-V212 HydrophobicContact CG2-CG1 4.18Å; I208-V212 HydrophobicContact CG2-CG2 3.88Å; N209-V212 HydrophobicContact CB-CG2 4.13Å; N209-V212 WeakPolarHBondContact O-CB 3.36Å; N209-V212 WeakPolarHBondContact O-CG2 3.34Å; N209-V212 PolarHBondContact O-N 3.23Å; N209-V212 VanDerWaalsContact O-N 3.17Å; D210-V212 PolarHBondContact O-N 2.81Å; V212-F214 HydrophobicContact CB-CB 4.25Å; V212-F214 HydrophobicContact CG1-CB 3.84Å; V212-F214 HydrophobicContact CG1-CD2 4.25Å; V212-F214 PolarHBondContact O-N 2.67Å; V212-A229 HydrophobicContact CG1-CB 3.77Å; V212-L248 HydrophobicContact CG1-CD1 3.96Å; V212-S249 VanDerWaalsContact CG2-O 3.29Å; V212-S249 WeakPolarHBondContact CG2-O 3.45Å
213	P	97	Very high	96.6	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.019	16%	0.158	C	C	.	.			trans	-76.8	72.8	168.6	34.1	-37.3	0	0	0	109.8	H215 A229 R230 Y231 Y236	P213-H215 PolarHBondContact O-CE1 3.36Å; P213-H215 PolarHBondContact O-ND1 2.8Å; P213-A229 HydrophobicContact CG-CB 4.14Å; P213-A229 WeakPolarHBondContact O-CA 3.17Å; P213-R230 WeakPolarHBondContact CB-O 3.26Å; P213-R230 PolarHBondContact O-N 2.82Å; P213-Y231 HydrophobicContact CB-CD1 3.93Å; P213-Y231 HydrophobicContact CB-CE1 3.61Å; P213-Y231 HydrophobicContact CG-CD1 4.19Å; P213-Y231 HydrophobicContact CG-CD2 4.28Å; P213-Y231 HydrophobicContact CG-CE1 3.81Å; P213-Y231 HydrophobicContact CG-CE2 3.92Å; P213-Y231 HydrophobicContact CG-CG 4.41Å; P213-Y236 VanDerWaalsContact CA-CG 3.49Å; P213-Y236 HydrophobicContact CB-CD1 4.21Å; P213-Y236 HydrophobicContact CB-CD2 3.85Å; P213-Y236 HydrophobicContact CB-CG 3.6Å
214	F	98.3	Very high	96.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.9	-156.6	-177.4	-117.7	0	0	0	114	F178 R196 W198 I208 V212 L216 F227 Y236	F178-F214 HydrophobicContact CB-CD1 3.48Å; F178-F214 VanDerWaalsContact CB-CD1 3.48Å; F178-F214 HydrophobicContact CB-CE1 3.82Å; F178-F214 HydrophobicContact CB-CG 4.43Å; F178-F214 AromaticContact CD1-CD1 3.76Å; F178-F214 HydrophobicContact CD1-CD1 3.76Å; F178-F214 AromaticContact CD1-CE1 3.88Å; F178-F214 HydrophobicContact CD1-CE1 3.88Å; F178-F214 HydrophobicContact CD2-CE1 4.27Å; F178-F214 HydrophobicContact CE1-CE1 4.49Å; F178-F214 AromaticContact CG-CD1 3.75Å; F178-F214 HydrophobicContact CG-CD1 3.75Å; F178-F214 AromaticContact CG-CE1 3.72Å; F178-F214 HydrophobicContact CG-CE1 3.72Å; F178-F214 PolarHBondContact N-O 3.05Å; R196-F214 HydrophobicContact CG-CD1 4.14Å; W198-F214 AromaticContact CH2-CE1 3.75Å; W198-F214 HydrophobicContact CH2-CE1 3.75Å; W198-F214 HydrophobicContact CH2-CZ 4.09Å; W198-F214 HydrophobicContact CZ3-CE1 4.32Å; W198-F214 HydrophobicContact CZ3-CZ 4.41Å; I208-F214 HydrophobicContact CD1-CE2 4.12Å; I208-F214 HydrophobicContact CD1-CZ 4.38Å; I208-F214 HydrophobicContact CG1-CD2 4.29Å; I208-F214 HydrophobicContact CG1-CE1 4.27Å; I208-F214 HydrophobicContact CG1-CE2 3.91Å; I208-F214 HydrophobicContact CG1-CZ 3.91Å; I208-F214 HydrophobicContact CG2-CD2 3.88Å; I208-F214 HydrophobicContact CG2-CE2 4.3Å; I208-F214 HydrophobicContact CG2-CG 4.13Å; V212-F214 HydrophobicContact CB-CB 4.25Å; V212-F214 HydrophobicContact CG1-CB 3.84Å; V212-F214 HydrophobicContact CG1-CD2 4.25Å; V212-F214 PolarHBondContact O-N 2.67Å; F214-L216 HydrophobicContact CE1-CB 4.22Å; F214-L216 HydrophobicContact CZ-CB 4.27Å; F214-L216 HydrophobicContact CZ-CD1 4.34Å; F214-F227 HydrophobicContact CE2-CB 3.93Å; F214-F227 HydrophobicContact CE2-CD1 4.14Å; F214-F227 HydrophobicContact CE2-CG 4.16Å; F214-F227 AromaticContact CZ-CD1 3.94Å; F214-F227 HydrophobicContact CZ-CD1 3.94Å; F214-F227 HydrophobicContact CZ-CG 4.39Å; F214-Y236 WeakPolarHBondContact O-CE2 3.31Å; F214-Y236 PolarHBondContact O-OH 2.95Å
215	H	98.3	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139	176.8	-60.8	65.3	0	0	0	109.4	P175 K176 P177 P213 Q228 R230 T234 Y236	P175-H215 HydrophobicContact CB-CB 3.95Å; K176-H215 VanDerWaalsContact C-CD2 3.47Å; K176-H215 CarbonylContact O-C 3.4Å; K176-H215 WeakPolarHBondContact O-CA 3.32Å; K176-H215 WeakPolarHBondContact O-CB 3.46Å; P177-H215 VanDerWaalsContact N-CD2 3.32Å; P213-H215 PolarHBondContact O-CE1 3.36Å; P213-H215 PolarHBondContact O-ND1 2.8Å; H215-Q228 HydrophobicContact CB-CB 4.19Å; H215-Q228 PolarHBondContact N-O 3.42Å; H215-Q228 PolarHBondContact O-N 3.21Å; H215-R230 PolarHBondContact CE1-O 3.32Å; H215-T234 PolarHBondContact CE1-OG1 2.85Å; H215-T234 WeakPolarHBondContact NE2-CB 3.25Å; H215-T234 PolarHBondContact NE2-OG1 3.33Å; H215-Y236 AromaticContact CE1-CD2 3.62Å; H215-Y236 AromaticContact CE1-CE2 3.83Å
216	L	98.1	Very high	96.5	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.6	179.8	-177.9	65.3	0	0	0	110.4	Q173 K176 F178 F190 W198 F214 M225 F227	Q173-L216 PolarHBondContact NE2-O 3.17Å; K176-L216 PolarHBondContact N-O 2.78Å; K176-L216 PolarHBondContact O-N 3.1Å; F178-L216 HydrophobicContact CB-CB 4.45Å; F178-L216 HydrophobicContact CD2-CB 3.79Å; F178-L216 HydrophobicContact CD2-CD2 3.72Å; F178-L216 HydrophobicContact CD2-CG 4.43Å; F178-L216 HydrophobicContact CE2-CD2 3.59Å; F178-L216 HydrophobicContact CG-CB 4.44Å; F190-L216 HydrophobicContact CE1-CD2 3.95Å; F190-L216 HydrophobicContact CZ-CB 3.93Å; F190-L216 HydrophobicContact CZ-CD2 4.18Å; F190-L216 HydrophobicContact CZ-CG 4.38Å; W198-L216 HydrophobicContact CZ2-CD2 3.88Å; F214-L216 HydrophobicContact CE1-CB 4.22Å; F214-L216 HydrophobicContact CZ-CB 4.27Å; F214-L216 HydrophobicContact CZ-CD1 4.34Å; L216-M225 HydrophobicContact CD1-SD 4.4Å; L216-F227 HydrophobicContact CD1-CD1 3.74Å; L216-F227 HydrophobicContact CD1-CE1 3.73Å
217	G	97.6	Very high	96.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	177.7	170.6	0	0	0	0	0	110.9	Q173 Y226	Q173-G217 CarbonylContact O-C 3.56Å; Q173-G217 WeakPolarHBondContact O-CA 3.32Å; G217-Y226 PolarHBondContact N-O 3.36Å; G217-Y226 PolarHBondContact O-N 3.41Å
218	W	97.3	Very high	96.6	Very high	49 Å²	49	31 Å²	31	19%	0.186	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	163.4	177.1	55.6	84.8	0	0	0	112.6	I169 S170 Q172 Q173 F190 T224 M225	I169-W218 HydrophobicContact CG2-CB 3.85Å; I169-W218 HydrophobicContact CG2-CD2 3.92Å; I169-W218 HydrophobicContact CG2-CG 3.39Å; S170-W218 PolarHBondContact O-NE1 3.01Å; Q172-W218 WeakPolarHBondContact CA-O 3.39Å; Q173-W218 HydrophobicContact CB-CD2 3.77Å; Q173-W218 HydrophobicContact CB-CE3 4.23Å; Q173-W218 HydrophobicContact CB-CG 4.26Å; Q173-W218 HydrophobicContact CB-CH2 4.26Å; Q173-W218 HydrophobicContact CB-CZ2 3.79Å; Q173-W218 HydrophobicContact CB-CZ3 4.46Å; Q173-W218 HydrophobicContact CG-CH2 4.43Å; Q173-W218 HydrophobicContact CG-CZ2 4.34Å; Q173-W218 PolarHBondContact N-O 3.17Å; Q173-W218 VanDerWaalsContact NE2-CH2 3.3Å; Q173-W218 PolarHBondContact O-N 3.2Å; Q173-W218 VanDerWaalsContact OE1-CH2 3.25Å; F190-W218 HydrophobicContact CE1-CZ3 4.11Å; F190-W218 HydrophobicContact CZ-CZ3 4.5Å; W218-T224 CarbonylContact C-O 3.49Å; W218-T224 VanDerWaalsContact CA-O 3.24Å; W218-T224 WeakPolarHBondContact CA-O 3.26Å; W218-M225 HydrophobicContact CB-CG 4.42Å
219	N	96.4	Very high	96.5	Very high	11 Å²	11	31 Å²	31	6%	0.059	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	111.1	165.6	179.4	-9.4	0	0	0	108.4	Q172 T221 E222 K223 T224 Y226	Q172-N219 HydrophobicContact CG-CB 4.31Å; Q172-N219 WeakPolarHBondContact CG-OD1 3.24Å; Q172-N219 PolarHBondContact NE2-OD1 2.99Å; Q172-N219 VanDerWaalsContact NE2-OD1 3.13Å; N219-T221 VanDerWaalsContact C-N 3.33Å; N219-T221 VanDerWaalsContact OD1-CB 3.29Å; N219-T221 WeakPolarHBondContact OD1-CB 3.34Å; N219-T221 PolarHBondContact OD1-N 2.82Å; N219-T221 PolarHBondContact OD1-OG1 2.96Å; N219-E222 HydrophobicContact CB-CB 4.12Å; N219-E222 VanDerWaalsContact ND2-CG 3.34Å; N219-E222 WeakPolarHBondContact ND2-CG 3.31Å; N219-E222 PolarHBondContact ND2-OE1 2.7Å; N219-E222 CarbonylContact O-C 3.21Å; N219-E222 PolarHBondContact O-N 2.81Å; N219-E222 PolarHBondContact OD1-N 3.15Å; N219-K223 PolarHBondContact O-N 3.36Å; N219-T224 PolarHBondContact N-O 3Å; N219-T224 PolarHBondContact O-N 3.07Å; N219-Y226 HydrophobicContact CB-CE2 3.95Å; N219-Y226 VanDerWaalsContact CB-OH 3.29Å; N219-Y226 WeakPolarHBondContact CB-OH 3.46Å
220	D	94.7	Very high	96.5	Very high	37 Å²	37	29.8 Å²	29.8	20%	0.198	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-28.4	-178.5	-172.9	54.7	0	0	0	113	Y149 I169 G171 E222 K223	Y149-D220 WeakPolarHBondContact OH-CA 3.4Å; Y149-D220 PolarHBondContact OH-OD1 3.25Å; I169-D220 VanDerWaalsContact O-CG 3.25Å; I169-D220 VanDerWaalsContact O-OD1 3.1Å; G171-D220 VanDerWaalsContact O-CB 3.28Å; G171-D220 WeakPolarHBondContact O-CB 3.5Å; G171-D220 PolarHBondContact O-N 2.84Å; D220-E222 VanDerWaalsContact C-N 3.3Å; D220-E222 PolarHBondContact O-N 2.98Å; D220-K223 WeakPolarHBondContact O-CD 3.46Å; D220-K223 WeakPolarHBondContact O-CE 3.29Å; D220-K223 WeakPolarHBondContact O-CG 3.2Å; D220-K223 PolarHBondContact O-N 3.18Å; D220-K223 VanDerWaalsContact O-N 3.15Å; D220-K223 WeakPolarHBondContact OD1-CD 3.29Å; D220-K223 WeakPolarHBondContact OD1-CE 3.32Å; D220-K223 IonicContact OD1-NZ 3.78Å; D220-K223 PolarHBondContact OD1-NZ 2.66Å; D220-K223 IonicContact OD2-NZ 3.29Å; D220-K223 PolarHBondContact OD2-NZ 2.93Å
221	T	94.2	Very high	96.5	Very high	118 Å²	118	29.6 Å²	29.6	72%	0.724	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-37.7	173.4	-43.4	0	0	0	0	111.5	N219	N219-T221 VanDerWaalsContact C-N 3.33Å; N219-T221 VanDerWaalsContact OD1-CB 3.29Å; N219-T221 WeakPolarHBondContact OD1-CB 3.34Å; N219-T221 PolarHBondContact OD1-N 2.82Å; N219-T221 PolarHBondContact OD1-OG1 2.96Å
222	E	93.4	Very high	96.4	Very high	100 Å²	100	31.5 Å²	31.5	47%	0.467	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.2	175.4	-70.7	173	-155	0	0	113.1	R89 N219 D220 T224 Y226	R89-E222 IonicContact NH1-OE2 3.63Å; N219-E222 HydrophobicContact CB-CB 4.12Å; N219-E222 VanDerWaalsContact ND2-CG 3.34Å; N219-E222 WeakPolarHBondContact ND2-CG 3.31Å; N219-E222 PolarHBondContact ND2-OE1 2.7Å; N219-E222 CarbonylContact O-C 3.21Å; N219-E222 PolarHBondContact O-N 2.81Å; N219-E222 PolarHBondContact OD1-N 3.15Å; D220-E222 VanDerWaalsContact C-N 3.3Å; D220-E222 PolarHBondContact O-N 2.98Å; E222-T224 PolarHBondContact O-N 2.93Å; E222-T224 VanDerWaalsContact O-N 3.15Å; E222-T224 PolarHBondContact O-OG1 3.47Å; E222-Y226 PolarHBondContact OE2-OH 2.91Å; E222-Y226 VanDerWaalsContact OE2-OH 3.05Å
223	K	95.1	Very high	96.1	Very high	79 Å²	79	35.7 Å²	35.7	34%	0.343	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	39.8	49.3	-170.5	-58.9	-68.4	172.7	-170.7	0	112.7	Y149 N150 N219 D220	Y149-K223 WeakPolarHBondContact CD1-O 3.36Å; Y149-K223 HydrophobicContact CD2-CB 4.45Å; Y149-K223 HydrophobicContact CE1-CB 4.48Å; Y149-K223 HydrophobicContact CE2-CB 4.11Å; Y149-K223 HydrophobicContact CE2-CD 3.79Å; Y149-K223 PolarHBondContact N-O 2.96Å; N150-K223 HydrophobicContact CB-CB 3.74Å; N150-K223 HydrophobicContact CB-CG 4.09Å; N219-K223 PolarHBondContact O-N 3.36Å; D220-K223 WeakPolarHBondContact O-CD 3.46Å; D220-K223 WeakPolarHBondContact O-CE 3.29Å; D220-K223 WeakPolarHBondContact O-CG 3.2Å; D220-K223 PolarHBondContact O-N 3.18Å; D220-K223 VanDerWaalsContact O-N 3.15Å; D220-K223 WeakPolarHBondContact OD1-CD 3.29Å; D220-K223 WeakPolarHBondContact OD1-CE 3.32Å; D220-K223 IonicContact OD1-NZ 3.78Å; D220-K223 PolarHBondContact OD1-NZ 2.66Å; D220-K223 IonicContact OD2-NZ 3.29Å; D220-K223 PolarHBondContact OD2-NZ 2.93Å
224	T	96	Very high	95.8	Very high	12 Å²	12	35.9 Å²	35.9	7%	0.074	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.1	-171.1	-69.8	0	0	0	0	111.6	A146 M147 W218 N219 E222 Y226	A146-T224 HydrophobicContact CB-CG2 3.52Å; M147-T224 CarbonylContact O-C 3.58Å; M147-T224 VanDerWaalsContact O-CA 3.28Å; M147-T224 WeakPolarHBondContact O-CA 3.5Å; W218-T224 CarbonylContact C-O 3.49Å; W218-T224 VanDerWaalsContact CA-O 3.24Å; W218-T224 WeakPolarHBondContact CA-O 3.26Å; N219-T224 PolarHBondContact N-O 3Å; N219-T224 PolarHBondContact O-N 3.07Å; E222-T224 PolarHBondContact O-N 2.93Å; E222-T224 VanDerWaalsContact O-N 3.15Å; E222-T224 PolarHBondContact O-OG1 3.47Å; T224-Y226 HydrophobicContact CG2-CD1 3.84Å; T224-Y226 HydrophobicContact CG2-CE1 3.53Å
225	M	97.1	Very high	95.6	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.025	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.1	165.6	-75	-166.7	-71.7	0	0	110.2	A146 M147 Y149 I169 L216 W218 F227	A146-M225 CarbonylContact C-O 3.27Å; A146-M225 WeakPolarHBondContact CA-O 3.42Å; M147-M225 HydrophobicContact CE-CE 3.36Å; M147-M225 PolarHBondContact N-O 3.5Å; M147-M225 PolarHBondContact O-N 2.93Å; M147-M225 HydrophobicContact SD-CE 4.2Å; Y149-M225 HydrophobicContact CD1-CG 3.91Å; Y149-M225 HydrophobicContact CE1-CG 4.21Å; I169-M225 HydrophobicContact CD1-CG 3.73Å; I169-M225 HydrophobicContact CD1-SD 3.79Å; L216-M225 HydrophobicContact CD1-SD 4.4Å; W218-M225 HydrophobicContact CB-CG 4.42Å; M225-F227 HydrophobicContact CB-CE1 4.07Å
226	Y	98	Very high	95.4	Very high	20 Å²	20	36.5 Å²	36.5	8%	0.078	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116.9	179.2	-55.3	-52.7	0	0	0	109.9	H145 A146 P175 G217 N219 E222 T224	H145-Y226 WeakPolarHBondContact O-CA 3.1Å; A146-Y226 HydrophobicContact CB-CD1 4.08Å; A146-Y226 HydrophobicContact CB-CE1 4.27Å; P175-Y226 HydrophobicContact CG-CD2 4.48Å; G217-Y226 PolarHBondContact N-O 3.36Å; G217-Y226 PolarHBondContact O-N 3.41Å; N219-Y226 HydrophobicContact CB-CE2 3.95Å; N219-Y226 VanDerWaalsContact CB-OH 3.29Å; N219-Y226 WeakPolarHBondContact CB-OH 3.46Å; E222-Y226 PolarHBondContact OE2-OH 2.91Å; E222-Y226 VanDerWaalsContact OE2-OH 3.05Å; T224-Y226 HydrophobicContact CG2-CD1 3.84Å; T224-Y226 HydrophobicContact CG2-CE1 3.53Å
227	F	98.5	Very high	95.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	111.4	174.1	-64.1	-14.5	0	0	0	108.2	M86 E144 H145 M147 I206 I208 F214 L216 M225 L248	M86-F227 HydrophobicContact CE-CD2 3.85Å; M86-F227 HydrophobicContact CE-CE2 3.92Å; E144-F227 WeakPolarHBondContact CA-O 3.34Å; H145-F227 PolarHBondContact N-O 3.23Å; H145-F227 PolarHBondContact O-N 2.99Å; M147-F227 HydrophobicContact CB-CE2 4.18Å; M147-F227 HydrophobicContact CB-CZ 4.32Å; M147-F227 HydrophobicContact SD-CE2 4.01Å; M147-F227 HydrophobicContact SD-CZ 3.8Å; I206-F227 HydrophobicContact CD1-CE2 3.97Å; I206-F227 HydrophobicContact CD1-CZ 4.06Å; I206-F227 HydrophobicContact CG2-CE2 4.31Å; I208-F227 HydrophobicContact CD1-CD2 4.03Å; I208-F227 HydrophobicContact CD1-CE2 4.27Å; I208-F227 HydrophobicContact CD1-CG 4.41Å; F214-F227 HydrophobicContact CE2-CB 3.93Å; F214-F227 HydrophobicContact CE2-CD1 4.14Å; F214-F227 HydrophobicContact CE2-CG 4.16Å; F214-F227 AromaticContact CZ-CD1 3.94Å; F214-F227 HydrophobicContact CZ-CD1 3.94Å; F214-F227 HydrophobicContact CZ-CG 4.39Å; L216-F227 HydrophobicContact CD1-CD1 3.74Å; L216-F227 HydrophobicContact CD1-CE1 3.73Å; M225-F227 HydrophobicContact CB-CE1 4.07Å; F227-L248 HydrophobicContact CB-CD2 4.34Å; F227-L248 VanDerWaalsContact O-CD2 3.29Å; F227-L248 WeakPolarHBondContact O-CD2 3.39Å
228	Q	98.4	Very high	94.8	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.065	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.4	-175.4	-172.1	-172.1	99.6	0	0	111.7	P142 V143 E144 P175 H215 R230	P142-Q228 HydrophobicContact CB-CG 4Å; V143-Q228 CarbonylContact O-C 3.45Å; V143-Q228 VanDerWaalsContact O-CA 3.26Å; V143-Q228 WeakPolarHBondContact O-CA 3.38Å; E144-Q228 HydrophobicContact CB-CB 4.35Å; E144-Q228 HydrophobicContact CB-CG 4.13Å; E144-Q228 HydrophobicContact CG-CB 4.34Å; E144-Q228 PolarHBondContact OE2-NE2 2.96Å; P175-Q228 HydrophobicContact CB-CB 3.84Å; P175-Q228 HydrophobicContact CB-CG 4.48Å; P175-Q228 HydrophobicContact CG-CB 4.23Å; H215-Q228 HydrophobicContact CB-CB 4.19Å; H215-Q228 PolarHBondContact N-O 3.42Å; H215-Q228 PolarHBondContact O-N 3.21Å; Q228-R230 HydrophobicContact CG-CB 4.49Å
229	A	98	Very high	94.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.5	166.1	0	0	0	0	0	109.1	P142 V143 V212 P213 A246 E247 L248	P142-A229 VanDerWaalsContact CA-O 3.29Å; P142-A229 WeakPolarHBondContact CA-O 3.5Å; V143-A229 HydrophobicContact CB-CB 4.38Å; V143-A229 PolarHBondContact N-O 2.8Å; V143-A229 PolarHBondContact O-N 2.87Å; V212-A229 HydrophobicContact CG1-CB 3.77Å; P213-A229 HydrophobicContact CG-CB 4.14Å; P213-A229 WeakPolarHBondContact O-CA 3.17Å; A229-A246 HydrophobicContact CB-CB 4.39Å; A229-A246 WeakPolarHBondContact O-CB 3.13Å; A229-E247 WeakPolarHBondContact CB-O 3.47Å; A229-L248 HydrophobicContact CB-CB 3.92Å; A229-L248 HydrophobicContact CB-CD1 4.41Å
230	R	95.9	Very high	93.6	Very high	39 Å²	39	45.6 Å²	45.6	15%	0.147	24%	0.235	C	C	.	.			trans	-153.2	139.3	-175.2	-170.7	178.2	77.5	-141.9	13.7	111.6	P142 P175 P213 H215 Q228 H232 D233 T234	P142-R230 HydrophobicContact CB-CB 4.1Å; P142-R230 HydrophobicContact CB-CG 4.03Å; P175-R230 PolarHBondContact O-NH1 2.7Å; P213-R230 WeakPolarHBondContact CB-O 3.26Å; P213-R230 PolarHBondContact O-N 2.82Å; H215-R230 PolarHBondContact CE1-O 3.32Å; Q228-R230 HydrophobicContact CG-CB 4.49Å; R230-H232 WeakPolarHBondContact CD-O 3.31Å; R230-H232 HydrophobicContact CG-CB 4.17Å; R230-H232 WeakPolarHBondContact CG-O 3.44Å; R230-H232 PolarHBondContact NE-O 2.86Å; R230-D233 PolarHBondContact NH2-O 2.95Å; R230-T234 WeakPolarHBondContact O-CG2 3.29Å
231	Y	94.2	Very high	93.1	Very high	47 Å²	47	48.2 Å²	48.2	18%	0.184	27%	0.271	C	S	.	.			trans	-109.3	-8.1	170.9	-72.6	-63.7	0	0	0	114.2	P213 K237 P238 P244 C245	P213-Y231 HydrophobicContact CB-CD1 3.93Å; P213-Y231 HydrophobicContact CB-CE1 3.61Å; P213-Y231 HydrophobicContact CG-CD1 4.19Å; P213-Y231 HydrophobicContact CG-CD2 4.28Å; P213-Y231 HydrophobicContact CG-CE1 3.81Å; P213-Y231 HydrophobicContact CG-CE2 3.92Å; P213-Y231 HydrophobicContact CG-CG 4.41Å; Y231-K237 VanDerWaalsContact CE1-C 3.42Å; Y231-P238 HydrophobicContact CD1-CB 4.49Å; Y231-P238 HydrophobicContact CE1-CB 4.19Å; Y231-P238 HydrophobicContact CE2-CB 4.31Å; Y231-P244 HydrophobicContact CD2-CB 4.21Å; Y231-P244 HydrophobicContact CG-CB 4.23Å; Y231-C245 WeakPolarHBondContact CE2-O 3.32Å
232	H	90.9	Very high	92.7	Very high	117 Å²	117	48.2 Å²	48.2	54%	0.542	26%	0.263	S	S	.	.	S	Bend	trans	-79.5	140.1	169.5	-179.4	-82.5	0	0	0	110.7	R230	R230-H232 WeakPolarHBondContact CD-O 3.31Å; R230-H232 HydrophobicContact CG-CB 4.17Å; R230-H232 WeakPolarHBondContact CG-O 3.44Å; R230-H232 PolarHBondContact NE-O 2.86Å
233	D	89.7	Confident	92.5	Very high	90 Å²	90	46 Å²	46	48%	0.481	26%	0.262	S	S	.	.	S	Bend	trans	40.2	71.4	178	-172.8	36.8	0	0	0	113.7	R230 W441	R230-D233 PolarHBondContact NH2-O 2.95Å; D233-W441 PolarHBondContact OD1-NE1 3.35Å
234	T	92.6	Very high	92.4	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.043	26%	0.258	C	S	.	.	S	Bend	trans	-166.1	153.8	-173.1	-166.6	0	0	0	0	111.8	H215 R230 Y236	H215-T234 PolarHBondContact CE1-OG1 2.85Å; H215-T234 WeakPolarHBondContact NE2-CB 3.25Å; H215-T234 PolarHBondContact NE2-OG1 3.33Å; R230-T234 WeakPolarHBondContact O-CG2 3.29Å; T234-Y236 VanDerWaalsContact C-N 3.34Å; T234-Y236 HydrophobicContact CG2-CD2 4.46Å; T234-Y236 VanDerWaalsContact OG1-CD2 3.23Å; T234-Y236 WeakPolarHBondContact OG1-CD2 3.4Å
235	P	92.6	Very high	92.2	Very high	10 Å²	10	45.5 Å²	45.5	7%	0.065	27%	0.267	C	S	.	.	S	Bend	trans	-72	-20	170.6	28.5	-36.9	0	0	0	114.3	P177 K237 F443 P452	P177-P235 HydrophobicContact CB-CG 4.08Å; P177-P235 HydrophobicContact CG-CG 4.18Å; P235-K237 WeakPolarHBondContact O-CE 3.43Å; P235-F443 HydrophobicContact CB-CE1 4.23Å; P235-P452 HydrophobicContact CB-CB 4.18Å; P235-P452 HydrophobicContact CB-CG 3.92Å; P235-P452 HydrophobicContact CG-CG 3.95Å
236	Y	94.7	Very high	92.1	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.016	27%	0.266	C	S	.	.			trans	-63	146.3	178.2	-62.1	-74.2	0	0	0	113	P177 F178 V179 P213 F214 H215 T234 R450 D451 P452	P177-Y236 HydrophobicContact CB-CE2 4Å; F178-Y236 PolarHBondContact N-OH 2.81Å; F178-Y236 PolarHBondContact O-OH 2.99Å; F178-Y236 VanDerWaalsContact O-OH 3.1Å; V179-Y236 WeakPolarHBondContact CG1-OH 3.19Å; P213-Y236 VanDerWaalsContact CA-CG 3.49Å; P213-Y236 HydrophobicContact CB-CD1 4.21Å; P213-Y236 HydrophobicContact CB-CD2 3.85Å; P213-Y236 HydrophobicContact CB-CG 3.6Å; F214-Y236 WeakPolarHBondContact O-CE2 3.31Å; F214-Y236 PolarHBondContact O-OH 2.95Å; H215-Y236 AromaticContact CE1-CD2 3.62Å; H215-Y236 AromaticContact CE1-CE2 3.83Å; T234-Y236 VanDerWaalsContact C-N 3.34Å; T234-Y236 HydrophobicContact CG2-CD2 4.46Å; T234-Y236 VanDerWaalsContact OG1-CD2 3.23Å; T234-Y236 WeakPolarHBondContact OG1-CD2 3.4Å; Y236-R450 WeakPolarHBondContact CA-O 3.43Å; Y236-D451 HydrophobicContact CE1-CB 4.4Å; Y236-P452 VanDerWaalsContact CD1-CD 3.43Å; Y236-P452 HydrophobicContact CD1-CG 4.42Å; Y236-P452 HydrophobicContact CE1-CG 4.31Å
237	K	92.1	Very high	92	Very high	69 Å²	69	46.4 Å²	46.4	30%	0.3	27%	0.272	S	S	.	.			trans	-126.8	139.4	179.7	-54.1	-61.4	168.9	-156.1	0	112.2	Y231 P235 R450	Y231-K237 VanDerWaalsContact CE1-C 3.42Å; P235-K237 WeakPolarHBondContact O-CE 3.43Å; K237-R450 PolarHBondContact N-O 2.9Å
238	P	91.3	Very high	91.9	Very high	38 Å²	38	46.4 Å²	46.4	25%	0.247	27%	0.272	C	S	.	.			trans	-70	174.9	172.4	33.2	-37.3	0	0	0	111	Y231 P244	Y231-P238 HydrophobicContact CD1-CB 4.49Å; Y231-P238 HydrophobicContact CE1-CB 4.19Å; Y231-P238 HydrophobicContact CE2-CB 4.31Å; P238-P244 HydrophobicContact CG-CB 4.32Å
239	N	84.4	Confident	91.9	Very high	41 Å²	41	46.5 Å²	46.5	22%	0.219	27%	0.274	C	S	.	.			trans	-67.4	147.6	174.8	-56.9	-21.1	0	0	0	110.6	G241 E242 R450	N239-G241 PolarHBondContact O-N 2.94Å; N239-E242 HydrophobicContact CB-CB 4.18Å; N239-E242 VanDerWaalsContact CB-CD 3.41Å; N239-E242 HydrophobicContact CB-CG 4.02Å; N239-E242 WeakPolarHBondContact CB-OE1 3.46Å; N239-E242 WeakPolarHBondContact CB-OE2 3.5Å; N239-E242 PolarHBondContact ND2-OE1 2.72Å; N239-E242 PolarHBondContact ND2-OE2 3.15Å; N239-E242 PolarHBondContact O-N 3.17Å; N239-R450 VanDerWaalsContact OD1-CD 3.3Å; N239-R450 WeakPolarHBondContact OD1-CD 3.21Å; N239-R450 PolarHBondContact OD1-NE 3.05Å; N239-R450 VanDerWaalsContact OD1-NE 3.13Å; N239-R450 PolarHBondContact OD1-NH1 2.97Å
240	P	82.9	Confident	91.9	Very high	111 Å²	111	46.6 Å²	46.6	72%	0.721	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	122.6	176.3	-25.5	35	0	0	0	112.1	E242	P240-E242 VanDerWaalsContact C-N 3.34Å
241	G	84.2	Confident	92	Very high	92 Å²	92	47.7 Å²	47.7	95%	0.948	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-6.2	-179.2	0	0	0	0	0	115.5	N239	N239-G241 PolarHBondContact O-N 2.94Å
242	E	87.3	Confident	92.2	Very high	118 Å²	118	45.5 Å²	45.5	55%	0.551	27%	0.27	S	S	*	.	S	Bend	trans	-88.2	150	172.5	-73.5	174.5	-149.7	0	0	111.7	N239 P240	N239-E242 HydrophobicContact CB-CB 4.18Å; N239-E242 VanDerWaalsContact CB-CD 3.41Å; N239-E242 HydrophobicContact CB-CG 4.02Å; N239-E242 WeakPolarHBondContact CB-OE1 3.46Å; N239-E242 WeakPolarHBondContact CB-OE2 3.5Å; N239-E242 PolarHBondContact ND2-OE1 2.72Å; N239-E242 PolarHBondContact ND2-OE2 3.15Å; N239-E242 PolarHBondContact O-N 3.17Å; P240-E242 VanDerWaalsContact C-N 3.34Å
243	A	89.2	Confident	92.5	Very high	54 Å²	54	39.9 Å²	39.9	45%	0.446	24%	0.244	S	C	.	.			trans	-68.4	149.2	170.3	0	0	0	0	0	110.6	P139 C245	P139-A243 HydrophobicContact CG-CB 4.19Å; A243-C245 PolarHBondContact O-N 3.4Å
244	P	91.5	Very high	92.8	Very high	42 Å²	42	36.3 Å²	36.3	27%	0.273	23%	0.226	S	C	.	.			trans	-75.9	54.8	178.8	33	-37.1	0	0	0	112.1	P139 S140 Y231 P238	P139-P244 HydrophobicContact CB-CG 4.13Å; S140-P244 PolarHBondContact N-O 2.86Å; Y231-P244 HydrophobicContact CD2-CB 4.21Å; Y231-P244 HydrophobicContact CG-CB 4.23Å; P238-P244 HydrophobicContact CG-CB 4.32Å
245	C	92.8	Very high	92.9	Very high	38 Å²	38	36.6 Å²	36.6	26%	0.257	23%	0.23	S	C	.	.			trans	-80.1	122.2	175.6	-70.6	0	0	0	0	109.3	E136 Y231 A243	E136-C245 VanDerWaalsContact O-CB 3.26Å; E136-C245 WeakPolarHBondContact O-CB 3.34Å; Y231-C245 WeakPolarHBondContact CE2-O 3.32Å; A243-C245 PolarHBondContact O-N 3.4Å
246	A	94.6	Very high	92.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	26%	0.256	C	S	.	.			trans	-79.2	137.6	-174	0	0	0	0	0	112.1	E136 L141 V143 A229	E136-A246 PolarHBondContact N-O 3.17Å; L141-A246 VanDerWaalsContact O-CB 3.28Å; L141-A246 WeakPolarHBondContact O-CB 3.34Å; V143-A246 HydrophobicContact CG2-CB 4.09Å; V143-A246 WeakPolarHBondContact CG2-O 3.44Å; A229-A246 HydrophobicContact CB-CB 4.39Å; A229-A246 WeakPolarHBondContact O-CB 3.13Å
247	E	95.4	Very high	92.9	Very high	43 Å²	43	43.4 Å²	43.4	20%	0.201	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.5	173	-179.9	-178.7	139.3	0	0	110.4	R133 W134 A229 S249	R133-E247 HydrophobicContact CG-CG 3.88Å; R133-E247 WeakPolarHBondContact CG-OE1 3.24Å; R133-E247 IonicContact CZ-OE1 3.84Å; R133-E247 IonicContact CZ-OE2 2.74Å; R133-E247 IonicContact NE-OE1 3.6Å; R133-E247 PolarHBondContact NE-OE1 3.3Å; R133-E247 IonicContact NE-OE2 3.63Å; R133-E247 PolarHBondContact NE-OE2 2.65Å; R133-E247 IonicContact NH2-OE2 2.74Å; R133-E247 PolarHBondContact NH2-OE2 3.15Å; W134-E247 WeakPolarHBondContact O-CA 3.5Å; A229-E247 WeakPolarHBondContact CB-O 3.47Å; E247-S249 WeakPolarHBondContact OE1-CB 3.49Å
248	L	97.6	Very high	93.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	105.1	168.4	-176.7	55.4	0	0	0	109.1	R133 W134 V143 H145 V212 F227 A229 Y250	R133-L248 WeakPolarHBondContact CA-O 3.38Å; W134-L248 PolarHBondContact N-O 3.24Å; W134-L248 PolarHBondContact O-N 3.1Å; V143-L248 HydrophobicContact CB-CB 4.02Å; V143-L248 HydrophobicContact CG1-CB 3.52Å; V143-L248 HydrophobicContact CG1-CD2 4.11Å; V143-L248 HydrophobicContact CG1-CG 4.48Å; H145-L248 HydrophobicContact CB-CD2 4.19Å; H145-L248 WeakPolarHBondContact ND1-CD2 3.37Å; V212-L248 HydrophobicContact CG1-CD1 3.96Å; F227-L248 HydrophobicContact CB-CD2 4.34Å; F227-L248 VanDerWaalsContact O-CD2 3.29Å; F227-L248 WeakPolarHBondContact O-CD2 3.39Å; A229-L248 HydrophobicContact CB-CB 3.92Å; A229-L248 HydrophobicContact CB-CD1 4.41Å; L248-Y250 HydrophobicContact CD1-CD1 4.36Å; L248-Y250 HydrophobicContact CD2-CE1 4.47Å; L248-Y250 HydrophobicContact CG-CD1 4.02Å; L248-Y250 HydrophobicContact CG-CE1 4.12Å
249	S	98	Very high	93.4	Very high	16 Å²	16	38.9 Å²	38.9	11%	0.112	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.4	177.5	-178	0	0	0	0	111.6	V132 N209 V212 E247	V132-S249 VanDerWaalsContact O-CA 3.31Å; V132-S249 WeakPolarHBondContact O-CA 3.45Å; V132-S249 PolarHBondContact O-OG 2.94Å; N209-S249 VanDerWaalsContact CB-O 3.26Å; N209-S249 WeakPolarHBondContact CB-O 3.36Å; N209-S249 PolarHBondContact N-O 2.72Å; V212-S249 VanDerWaalsContact CG2-O 3.29Å; V212-S249 WeakPolarHBondContact CG2-O 3.45Å; E247-S249 WeakPolarHBondContact OE1-CB 3.49Å
250	Y	98.3	Very high	94	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	172.5	-176.7	61.3	-77.4	0	0	0	111.6	Y73 M86 V132 H145 I206 K207 I208 L248 V252	Y73-Y250 WeakPolarHBondContact CE1-OH 3.49Å; Y73-Y250 WeakPolarHBondContact OH-CE2 3.41Å; Y73-Y250 PolarHBondContact OH-OH 2.66Å; M86-Y250 HydrophobicContact CE-CE2 4.14Å; V132-Y250 HydrophobicContact CB-CD1 4.22Å; V132-Y250 HydrophobicContact CB-CE1 3.76Å; V132-Y250 HydrophobicContact CB-CE2 4.11Å; V132-Y250 HydrophobicContact CG1-CE1 3.74Å; V132-Y250 HydrophobicContact CG2-CE2 4.14Å; V132-Y250 PolarHBondContact N-O 2.83Å; V132-Y250 PolarHBondContact O-N 2.82Å; H145-Y250 AromaticContact CE1-CE1 3.75Å; H145-Y250 AromaticContact ND1-CE1 3.47Å; H145-Y250 WeakPolarHBondContact ND1-CE1 3.32Å; H145-Y250 AromaticContact ND1-CZ 3.67Å; H145-Y250 PolarHBondContact ND1-OH 2.84Å; H145-Y250 VanDerWaalsContact ND1-OH 3.15Å; I206-Y250 HydrophobicContact CG2-CD2 4.46Å; K207-Y250 CarbonylContact O-C 3.52Å; K207-Y250 WeakPolarHBondContact O-CA 3.14Å; I208-Y250 HydrophobicContact CD1-CG 4.14Å; L248-Y250 HydrophobicContact CD1-CD1 4.36Å; L248-Y250 HydrophobicContact CD2-CE1 4.47Å; L248-Y250 HydrophobicContact CG-CD1 4.02Å; L248-Y250 HydrophobicContact CG-CE1 4.12Å; Y250-V252 HydrophobicContact CD2-CG2 3.98Å; Y250-V252 HydrophobicContact CE2-CG2 3.82Å
251	R	97.6	Very high	94.6	Very high	62 Å²	62	33 Å²	33	23%	0.234	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	141.4	175.8	-59.1	-176.5	-179.4	-136.5	-5.5	109.5	Y130 R131 I206 K207 Y269	Y130-R251 WeakPolarHBondContact O-CA 3.34Å; R131-R251 HydrophobicContact CG-CG 4.3Å; I206-R251 CarbonylContact C-O 3.49Å; I206-R251 VanDerWaalsContact CA-O 3.26Å; I206-R251 WeakPolarHBondContact CA-O 3.15Å; I206-R251 WeakPolarHBondContact CG2-O 3.42Å; K207-R251 PolarHBondContact N-O 3.18Å; K207-R251 PolarHBondContact O-N 2.91Å; R251-Y269 VanDerWaalsContact CD-OH 3.32Å; R251-Y269 WeakPolarHBondContact CD-OH 3.46Å; R251-Y269 PolarHBondContact NH1-OH 3.24Å
252	V	97.9	Very high	95.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.5	165.6	-172.4	0	0	0	0	106.6	I75 F84 C129 Y130 T204 A205 Y250	I75-V252 HydrophobicContact CD1-CB 3.91Å; I75-V252 HydrophobicContact CD1-CG1 3.67Å; F84-V252 HydrophobicContact CD1-CG1 3.98Å; F84-V252 HydrophobicContact CD1-CG2 4.27Å; F84-V252 HydrophobicContact CD2-CG1 4.02Å; F84-V252 HydrophobicContact CE1-CB 4.38Å; F84-V252 HydrophobicContact CE1-CG1 4.05Å; F84-V252 HydrophobicContact CE1-CG2 3.58Å; F84-V252 HydrophobicContact CE2-CG1 4.1Å; F84-V252 HydrophobicContact CE2-CG2 4.36Å; F84-V252 HydrophobicContact CG-CG1 3.93Å; F84-V252 HydrophobicContact CZ-CG1 4.08Å; F84-V252 HydrophobicContact CZ-CG2 3.6Å; C129-V252 CarbonylContact C-O 3.6Å; C129-V252 WeakPolarHBondContact CA-O 3.31Å; Y130-V252 PolarHBondContact N-O 2.95Å; Y130-V252 PolarHBondContact O-N 2.84Å; T204-V252 HydrophobicContact CG2-CG1 3.62Å; A205-V252 CarbonylContact O-C 3.54Å; A205-V252 WeakPolarHBondContact O-CA 3.31Å; Y250-V252 HydrophobicContact CD2-CG2 3.98Å; Y250-V252 HydrophobicContact CE2-CG2 3.82Å
253	C	97.4	Very high	95.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.4	-179.6	-60.7	0	0	0	0	109.8	V127 Q128 C129 T204 A205 I261 M265	V127-C253 HydrophobicContact CG1-CB 4.03Å; Q128-C253 CarbonylContact O-C 3.18Å; Q128-C253 WeakPolarHBondContact O-CA 3.45Å; C129-C253 HydrophobicContact CB-CB 4.12Å; C129-C253 WeakPolarHBondContact CB-SG 3.3Å; C129-C253 WeakPolarHBondContact SG-CB 3.24Å; C129-C253 CovalentContact SG-SG 2.04Å; C129-C253 PolarHBondContact SG-SG 3.43Å; T204-C253 CarbonylContact C-O 3.59Å; T204-C253 WeakPolarHBondContact CA-O 3.12Å; A205-C253 PolarHBondContact N-O 3Å; A205-C253 PolarHBondContact O-N 2.81Å; C253-I261 HydrophobicContact CB-CD1 3.81Å; C253-M265 HydrophobicContact CB-SD 3.91Å
254	V	96.3	Very high	96.1	Very high	15 Å²	15	24.6 Å²	24.6	9%	0.091	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.9	178.8	-176.6	0	0	0	0	108.3	I75 V83 V127 Q128 A203 T204	I75-V254 HydrophobicContact CG2-CG2 3.88Å; V83-V254 HydrophobicContact CG2-CG1 4.27Å; V83-V254 HydrophobicContact CG2-CG2 4Å; V127-V254 WeakPolarHBondContact CA-O 3.44Å; Q128-V254 PolarHBondContact N-O 3.39Å; Q128-V254 PolarHBondContact O-N 3.37Å; A203-V254 WeakPolarHBondContact O-CA 3.42Å; T204-V254 HydrophobicContact CG2-CG2 4.38Å
255	G	94.3	Very high	96.4	Very high	13 Å²	13	22.6 Å²	22.6	13%	0.134	12%	0.12	C	C	.	.			trans	-110.3	-164.7	176	0	0	0	0	0	112.7	A203	A203-G255 PolarHBondContact O-N 3.22Å
256	L	92.7	Very high	96.6	Very high	115 Å²	115	21 Å²	21	60%	0.602	11%	0.108	S	C	*	.	S	Bend	trans	-80.1	-39	177.2	-64.7	172.9	0	0	0	111.9	T126	T126-L256 HydrophobicContact CG2-CD1 4.13Å
257	D	94.9	Very high	96.6	Very high	41 Å²	41	26.4 Å²	26.4	22%	0.219	13%	0.129	C	C	.	.	S	Bend	trans	-151.6	165.7	-175.9	68.5	88.3	0	0	0	110.2	A203 T259 S260 I261	A203-D257 VanDerWaalsContact CB-C 3.42Å; D257-T259 VanDerWaalsContact C-N 3.28Å; D257-T259 PolarHBondContact O-N 3.36Å; D257-T259 WeakPolarHBondContact OD1-CA 2.95Å; D257-T259 VanDerWaalsContact OD1-CB 3.3Å; D257-T259 WeakPolarHBondContact OD1-CB 3.31Å; D257-T259 PolarHBondContact OD1-N 2.88Å; D257-S260 PolarHBondContact N-OG 2.79Å; D257-S260 PolarHBondContact O-N 3.29Å; D257-S260 PolarHBondContact O-OG 2.82Å; D257-S260 PolarHBondContact OD1-N 2.78Å; D257-S260 WeakPolarHBondContact OD2-CB 3.4Å; D257-S260 PolarHBondContact OD2-OG 2.86Å; D257-I261 WeakPolarHBondContact O-CG2 3.45Å; D257-I261 PolarHBondContact O-N 2.78Å; D257-I261 VanDerWaalsContact O-N 3.1Å
258	V	96.6	Very high	96.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-32.2	-175.8	60.8	0	0	0	0	113.5	L199 I261 H262 W608 Y618	L199-V258 HydrophobicContact CD1-CG2 4.08Å; L199-V258 HydrophobicContact CD2-CG2 3.94Å; L199-V258 HydrophobicContact CG-CG2 3.96Å; V258-I261 WeakPolarHBondContact O-CG2 2.95Å; V258-H262 WeakPolarHBondContact O-CB 3.43Å; V258-H262 PolarHBondContact O-N 2.83Å; V258-W608 HydrophobicContact CB-CE3 4.18Å; V258-W608 HydrophobicContact CB-CZ3 4.36Å; V258-W608 HydrophobicContact CG1-CB 4.43Å; V258-W608 HydrophobicContact CG1-CD2 3.93Å; V258-W608 HydrophobicContact CG1-CE3 3.4Å; V258-W608 HydrophobicContact CG1-CG 4.41Å; V258-W608 HydrophobicContact CG1-CZ3 3.99Å; V258-W608 HydrophobicContact CG2-CD2 4.08Å; V258-W608 HydrophobicContact CG2-CE3 3.77Å; V258-W608 HydrophobicContact CG2-CH2 3.9Å; V258-W608 HydrophobicContact CG2-CZ2 4.12Å; V258-W608 HydrophobicContact CG2-CZ3 3.7Å; V258-Y618 HydrophobicContact CG1-CE1 4.03Å
259	T	97.6	Very high	96.4	Very high	12 Å²	12	33.4 Å²	33.4	7%	0.074	15%	0.154	C	C	.	.	H	α-helix	trans	-78.3	-45.8	179.6	-66.4	0	0	0	0	111.1	D257 I261 H262 K263 W609 T612	D257-T259 VanDerWaalsContact C-N 3.28Å; D257-T259 PolarHBondContact O-N 3.36Å; D257-T259 WeakPolarHBondContact OD1-CA 2.95Å; D257-T259 VanDerWaalsContact OD1-CB 3.3Å; D257-T259 WeakPolarHBondContact OD1-CB 3.31Å; D257-T259 PolarHBondContact OD1-N 2.88Å; T259-I261 PolarHBondContact O-N 2.91Å; T259-H262 PolarHBondContact O-N 3.14Å; T259-K263 HydrophobicContact CG2-CD 4.05Å; T259-K263 VanDerWaalsContact CG2-CE 3.43Å; T259-K263 HydrophobicContact CG2-CG 4.44Å; T259-K263 WeakPolarHBondContact O-CB 3.38Å; T259-K263 VanDerWaalsContact O-CG 3.31Å; T259-K263 WeakPolarHBondContact O-CG 3.37Å; T259-K263 PolarHBondContact O-N 3.39Å; T259-W609 HydrophobicContact CG2-CD2 3.84Å; T259-W609 HydrophobicContact CG2-CE3 4Å; T259-W609 HydrophobicContact CG2-CG 4.43Å; T259-W609 HydrophobicContact CG2-CH2 4.25Å; T259-W609 HydrophobicContact CG2-CZ2 4.13Å; T259-W609 HydrophobicContact CG2-CZ3 4.19Å; T259-W609 VanDerWaalsContact OG1-CA 3.31Å; T259-W609 WeakPolarHBondContact OG1-CA 3.2Å; T259-W609 PolarHBondContact OG1-O 3.17Å; T259-T612 WeakPolarHBondContact OG1-CG2 3.47Å
260	S	96.3	Very high	96.3	Very high	30 Å²	30	33.4 Å²	33.4	21%	0.21	15%	0.152	C	C	.	.	H	α-helix	trans	-64.2	-40	178.7	63	0	0	0	0	112.7	D257 K263 Y264	D257-S260 PolarHBondContact N-OG 2.79Å; D257-S260 PolarHBondContact O-N 3.29Å; D257-S260 PolarHBondContact O-OG 2.82Å; D257-S260 PolarHBondContact OD1-N 2.78Å; D257-S260 WeakPolarHBondContact OD2-CB 3.4Å; D257-S260 PolarHBondContact OD2-OG 2.86Å; S260-K263 PolarHBondContact O-N 2.69Å; S260-Y264 PolarHBondContact O-N 3.36Å
261	I	96.8	Very high	96	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.3	-40.3	175.5	-169.8	57.8	0	0	0	111.8	V127 L199 A203 A205 C253 D257 V258 T259 Y264 M265	V127-I261 HydrophobicContact CG1-CD1 3.52Å; V127-I261 HydrophobicContact CG2-CD1 4.15Å; L199-I261 HydrophobicContact CD1-CG2 3.53Å; A203-I261 HydrophobicContact CB-CG2 4.43Å; A205-I261 HydrophobicContact CB-CG1 3.75Å; C253-I261 HydrophobicContact CB-CD1 3.81Å; D257-I261 WeakPolarHBondContact O-CG2 3.45Å; D257-I261 PolarHBondContact O-N 2.78Å; D257-I261 VanDerWaalsContact O-N 3.1Å; V258-I261 WeakPolarHBondContact O-CG2 2.95Å; T259-I261 PolarHBondContact O-N 2.91Å; I261-Y264 HydrophobicContact CD1-CD1 4.17Å; I261-Y264 PolarHBondContact O-N 2.96Å; I261-M265 HydrophobicContact CD1-CG 4.27Å; I261-M265 HydrophobicContact CG1-CG 4.31Å; I261-M265 WeakPolarHBondContact O-CG 3.23Å; I261-M265 PolarHBondContact O-N 3.16Å
262	H	97.9	Very high	95.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-48.6	176.6	-178.8	64.9	0	0	0	111.5	Y197 L199 V258 T259 Y264 M265 V266 I512 W609	Y197-H262 AromaticContact CE1-ND1 3.85Å; Y197-H262 AromaticContact CZ-ND1 3.8Å; Y197-H262 PolarHBondContact OH-ND1 2.98Å; Y197-H262 VanDerWaalsContact OH-ND1 3.1Å; L199-H262 HydrophobicContact CD1-CB 4.31Å; L199-H262 HydrophobicContact CD2-CB 3.82Å; V258-H262 WeakPolarHBondContact O-CB 3.43Å; V258-H262 PolarHBondContact O-N 2.83Å; T259-H262 PolarHBondContact O-N 3.14Å; H262-Y264 VanDerWaalsContact C-N 3.29Å; H262-Y264 PolarHBondContact O-N 3.16Å; H262-M265 PolarHBondContact O-N 2.82Å; H262-V266 WeakPolarHBondContact CE1-CG2 3.34Å; H262-V266 VanDerWaalsContact NE2-CG2 3.34Å; H262-V266 WeakPolarHBondContact NE2-CG2 3.47Å; H262-V266 WeakPolarHBondContact O-CG2 3.49Å; H262-V266 PolarHBondContact O-N 3.46Å; H262-I512 PolarHBondContact CE1-O 3.39Å; H262-W609 AromaticContact CD2-CH2 3.99Å; H262-W609 AromaticContact CD2-CZ3 3.57Å
263	K	97.5	Very high	95.7	Very high	49 Å²	49	37.1 Å²	37.1	21%	0.213	17%	0.174	C	C	.	.	H	α-helix	trans	-54.6	-43.2	176	-73.9	-178.2	-176.2	-136.4	0	112	T259 S260 R267 D601 W609	T259-K263 HydrophobicContact CG2-CD 4.05Å; T259-K263 VanDerWaalsContact CG2-CE 3.43Å; T259-K263 HydrophobicContact CG2-CG 4.44Å; T259-K263 WeakPolarHBondContact O-CB 3.38Å; T259-K263 VanDerWaalsContact O-CG 3.31Å; T259-K263 WeakPolarHBondContact O-CG 3.37Å; T259-K263 PolarHBondContact O-N 3.39Å; S260-K263 PolarHBondContact O-N 2.69Å; K263-R267 WeakPolarHBondContact O-CB 3.46Å; K263-R267 WeakPolarHBondContact O-CD 3.42Å; K263-R267 WeakPolarHBondContact O-CG 3.34Å; K263-R267 PolarHBondContact O-N 3.33Å; K263-D601 WeakPolarHBondContact CD-OD2 3.44Å; K263-D601 WeakPolarHBondContact CE-OD2 3.5Å; K263-D601 IonicContact NZ-OD2 3.93Å; K263-D601 PolarHBondContact NZ-OD2 3.12Å; K263-W609 HydrophobicContact CD-CH2 4.47Å; K263-W609 HydrophobicContact CD-CZ2 4.39Å; K263-W609 HydrophobicContact CG-CH2 3.97Å; K263-W609 HydrophobicContact CG-CZ2 4.37Å
264	Y	97.2	Very high	95.5	Very high	37 Å²	37	42.2 Å²	42.2	15%	0.145	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-48.6	173.6	169.9	-93.3	0	0	0	112.2	D124 V127 S260 I261 H262 R267 R268 Y269	D124-Y264 HydrophobicContact CB-CE2 4.02Å; V127-Y264 HydrophobicContact CB-CD1 4.24Å; V127-Y264 HydrophobicContact CB-CD2 4.23Å; V127-Y264 HydrophobicContact CB-CE1 4.27Å; V127-Y264 HydrophobicContact CB-CE2 4.28Å; V127-Y264 HydrophobicContact CB-CG 4.2Å; V127-Y264 HydrophobicContact CG1-CD1 3.7Å; V127-Y264 HydrophobicContact CG1-CE1 3.6Å; V127-Y264 HydrophobicContact CG1-CE2 4.48Å; V127-Y264 HydrophobicContact CG1-CG 4.17Å; V127-Y264 HydrophobicContact CG2-CD1 4.19Å; V127-Y264 HydrophobicContact CG2-CD2 4.05Å; V127-Y264 HydrophobicContact CG2-CG 3.82Å; S260-Y264 PolarHBondContact O-N 3.36Å; I261-Y264 HydrophobicContact CD1-CD1 4.17Å; I261-Y264 PolarHBondContact O-N 2.96Å; H262-Y264 VanDerWaalsContact C-N 3.29Å; H262-Y264 PolarHBondContact O-N 3.16Å; Y264-R267 PolarHBondContact O-N 2.82Å; Y264-R268 VanDerWaalsContact O-CB 3.23Å; Y264-R268 WeakPolarHBondContact O-CB 3.32Å; Y264-R268 PolarHBondContact O-N 3.11Å; Y264-Y269 HydrophobicContact CE1-CE2 4.44Å
265	M	97.2	Very high	95.5	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-45.3	-176.3	-69	-67.3	-73.7	0	0	112.3	Y197 A205 K207 C253 I261 H262 R268 Y269	Y197-M265 HydrophobicContact CD2-CE 4.03Å; Y197-M265 HydrophobicContact CE2-CB 3.66Å; Y197-M265 HydrophobicContact CE2-CE 3.77Å; Y197-M265 HydrophobicContact CE2-CG 3.93Å; A205-M265 HydrophobicContact CB-CE 4.12Å; A205-M265 HydrophobicContact CB-CG 3.73Å; A205-M265 HydrophobicContact CB-SD 4.26Å; K207-M265 HydrophobicContact CB-CE 3.81Å; C253-M265 HydrophobicContact CB-SD 3.91Å; I261-M265 HydrophobicContact CD1-CG 4.27Å; I261-M265 HydrophobicContact CG1-CG 4.31Å; I261-M265 WeakPolarHBondContact O-CG 3.23Å; I261-M265 PolarHBondContact O-N 3.16Å; H262-M265 PolarHBondContact O-N 2.82Å; M265-R268 PolarHBondContact O-N 3.42Å; M265-Y269 HydrophobicContact CB-CD2 4.5Å; M265-Y269 HydrophobicContact CE-CD2 3.88Å; M265-Y269 HydrophobicContact CE-CE2 3.96Å; M265-Y269 WeakPolarHBondContact O-CB 3.37Å; M265-Y269 WeakPolarHBondContact O-CD2 3.44Å; M265-Y269 PolarHBondContact O-N 3.46Å; M265-Y269 HydrophobicContact SD-CD2 3.82Å; M265-Y269 HydrophobicContact SD-CE2 3.58Å; M265-Y269 VanDerWaalsContact SD-CE2 3.58Å
266	V	96.7	Very high	95.6	Very high	3 Å²	3	46 Å²	46	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-58.9	-52.3	176.3	172.9	0	0	0	0	110.5	H262 R268 Y269 F270	H262-V266 WeakPolarHBondContact CE1-CG2 3.34Å; H262-V266 VanDerWaalsContact NE2-CG2 3.34Å; H262-V266 WeakPolarHBondContact NE2-CG2 3.47Å; H262-V266 WeakPolarHBondContact O-CG2 3.49Å; H262-V266 PolarHBondContact O-N 3.46Å; V266-R268 PolarHBondContact O-N 3.4Å; V266-Y269 PolarHBondContact O-N 3.13Å; V266-F270 HydrophobicContact CB-CD2 4.21Å; V266-F270 HydrophobicContact CG1-CB 4.29Å; V266-F270 HydrophobicContact CG1-CD2 4.13Å; V266-F270 HydrophobicContact CG2-CD2 3.79Å; V266-F270 HydrophobicContact CG2-CE2 4.03Å; V266-F270 PolarHBondContact O-N 3.32Å
267	R	95.3	Very high	95.9	Very high	115 Å²	115	40.8 Å²	40.8	43%	0.434	19%	0.189	S	C	.	.	H	α-helix	trans	-63.4	-26.5	-177.1	-68.5	166	-162.9	169.8	0.7	113.1	K263 Y264 T599 D601	K263-R267 WeakPolarHBondContact O-CB 3.46Å; K263-R267 WeakPolarHBondContact O-CD 3.42Å; K263-R267 WeakPolarHBondContact O-CG 3.34Å; K263-R267 PolarHBondContact O-N 3.33Å; Y264-R267 PolarHBondContact O-N 2.82Å; R267-T599 WeakPolarHBondContact CG-O 3.38Å; R267-T599 PolarHBondContact NE-O 3.37Å; R267-D601 IonicContact CZ-OD1 3.36Å; R267-D601 IonicContact NE-OD1 3.93Å; R267-D601 VanDerWaalsContact NH2-CG 3.31Å; R267-D601 IonicContact NH2-OD1 2.71Å; R267-D601 PolarHBondContact NH2-OD1 3.48Å; R267-D601 IonicContact NH2-OD2 3.1Å; R267-D601 PolarHBondContact NH2-OD2 3.28Å; R267-D601 VanDerWaalsContact NH2-OD2 3.1Å
268	R	94.4	Very high	96	Very high	136 Å²	136	40.3 Å²	40.3	51%	0.513	19%	0.189	S	C	.	.	H	α-helix	trans	-93.9	-29.7	-176	-166.9	66.8	-168.9	86.5	-15.6	114.7	Y264 M265 V266	Y264-R268 VanDerWaalsContact O-CB 3.23Å; Y264-R268 WeakPolarHBondContact O-CB 3.32Å; Y264-R268 PolarHBondContact O-N 3.11Å; M265-R268 PolarHBondContact O-N 3.42Å; V266-R268 PolarHBondContact O-N 3.4Å
269	Y	94	Very high	96.1	Very high	55 Å²	55	46.8 Å²	46.8	22%	0.216	22%	0.217	C	C	.	.	H	α-helix	trans	-129.9	-18	-167.9	-58.3	-65.9	0	0	0	115.9	R251 Y264 M265 V266	R251-Y269 VanDerWaalsContact CD-OH 3.32Å; R251-Y269 WeakPolarHBondContact CD-OH 3.46Å; R251-Y269 PolarHBondContact NH1-OH 3.24Å; Y264-Y269 HydrophobicContact CE1-CE2 4.44Å; M265-Y269 HydrophobicContact CB-CD2 4.5Å; M265-Y269 HydrophobicContact CE-CD2 3.88Å; M265-Y269 HydrophobicContact CE-CE2 3.96Å; M265-Y269 WeakPolarHBondContact O-CB 3.37Å; M265-Y269 WeakPolarHBondContact O-CD2 3.44Å; M265-Y269 PolarHBondContact O-N 3.46Å; M265-Y269 HydrophobicContact SD-CD2 3.82Å; M265-Y269 HydrophobicContact SD-CE2 3.58Å; M265-Y269 VanDerWaalsContact SD-CE2 3.58Å; V266-Y269 PolarHBondContact O-N 3.13Å
270	F	95.2	Very high	96.1	Very high	16 Å²	16	47 Å²	47	7%	0.07	22%	0.22	C	C	.	.	S	Bend	trans	-95.9	144.6	175.3	-67.1	-9.7	0	0	0	110.8	Y197 V266 I512 L513	Y197-F270 HydrophobicContact CD1-CE2 4.45Å; Y197-F270 AromaticContact CD1-CZ 3.75Å; Y197-F270 HydrophobicContact CD1-CZ 3.75Å; Y197-F270 HydrophobicContact CD2-CZ 4.35Å; Y197-F270 HydrophobicContact CE1-CZ 4.4Å; Y197-F270 HydrophobicContact CG-CE1 4.23Å; Y197-F270 AromaticContact CG-CZ 3.72Å; Y197-F270 HydrophobicContact CG-CZ 3.72Å; V266-F270 HydrophobicContact CB-CD2 4.21Å; V266-F270 HydrophobicContact CG1-CB 4.29Å; V266-F270 HydrophobicContact CG1-CD2 4.13Å; V266-F270 HydrophobicContact CG2-CD2 3.79Å; V266-F270 HydrophobicContact CG2-CE2 4.03Å; V266-F270 PolarHBondContact O-N 3.32Å; F270-I512 WeakPolarHBondContact CE2-O 3.38Å; F270-L513 VanDerWaalsContact CE2-C 3.43Å; F270-L513 WeakPolarHBondContact CE2-O 3.37Å
271	N	93.4	Very high	96.1	Very high	73 Å²	73	45.6 Å²	45.6	39%	0.39	21%	0.21	S	C	.	.			trans	-68.5	156.3	163.8	-56.1	-51.8	0	0	0	108.8	Q477 Q479 N480	N271-Q477 PolarHBondContact ND2-O 3.4Å; N271-Q479 HydrophobicContact CB-CB 4.42Å; N271-Q479 WeakPolarHBondContact O-CB 3.26Å; N271-N480 HydrophobicContact CB-CB 3.9Å
272	K	93.8	Very high	96.2	Very high	59 Å²	59	45.6 Å²	45.6	26%	0.257	21%	0.21	S	C	.	.			trans	-114.3	148.9	173.8	-58.2	-166.1	-173.2	82.2	0	110.3	Q479 N480 L597 D598 T599	K272-Q479 CarbonylContact C-O 3.5Å; K272-N480 VanDerWaalsContact O-CA 3.31Å; K272-N480 WeakPolarHBondContact O-CA 3.34Å; K272-L597 VanDerWaalsContact CD-O 3.24Å; K272-L597 WeakPolarHBondContact CD-O 3.49Å; K272-D598 WeakPolarHBondContact CD-O 3.46Å; K272-D598 WeakPolarHBondContact CE-O 3.43Å; K272-D598 PolarHBondContact NZ-O 3.35Å; K272-T599 VanDerWaalsContact CE-C 3.45Å; K272-T599 WeakPolarHBondContact CE-O 3.46Å
273	P	94.9	Very high	96.2	Very high	10 Å²	10	50.5 Å²	50.5	7%	0.065	23%	0.229	C	C	.	.			trans	-55.2	146.7	171.9	-20	29.8	0	0	0	110.9	Q479 F517 V596 L597	P273-Q479 WeakPolarHBondContact CA-O 3.03Å; P273-Q479 WeakPolarHBondContact CD-O 3.36Å; P273-Q479 WeakPolarHBondContact CG-O 3.49Å; P273-F517 HydrophobicContact CB-CD2 4.48Å; P273-F517 HydrophobicContact CB-CE2 3.52Å; P273-F517 HydrophobicContact CB-CZ 3.99Å; P273-F517 HydrophobicContact CG-CD2 4.43Å; P273-F517 HydrophobicContact CG-CE2 3.72Å; P273-F517 HydrophobicContact CG-CZ 4.05Å; P273-V596 HydrophobicContact CG-CG1 3.88Å; P273-L597 HydrophobicContact CB-CD2 3.97Å; P273-L597 WeakPolarHBondContact O-CD2 3.42Å
274	N	91.8	Very high	96.3	Very high	107 Å²	107	50 Å²	50	57%	0.572	23%	0.227	S	C	*	.	S	Bend	trans	-92.7	-9.4	-177	62.4	20.6	0	0	0	114.2	S482	N274-S482 PolarHBondContact N-OG 2.94Å; N274-S482 PolarHBondContact OD1-OG 3.4Å
275	K	96.4	Very high	96.3	Very high	66 Å²	66	48.3 Å²	48.3	29%	0.287	22%	0.221	S	C	.	.	S	Bend	trans	-161.8	168.9	173.2	66.9	174.4	-174.7	179.2	0	110.2	N467 E468 S482	K275-N467 WeakPolarHBondContact CE-OD1 3.26Å; K275-N467 PolarHBondContact NZ-OD1 3.12Å; K275-E468 IonicContact NZ-OE1 2.65Å; K275-S482 PolarHBondContact N-OG 3.39Å; K275-S482 VanDerWaalsContact O-CB 3.24Å; K275-S482 WeakPolarHBondContact O-CB 3.11Å; K275-S482 PolarHBondContact O-OG 3.13Å
276	V	98.1	Very high	96.4	Very high	41 Å²	41	48.3 Å²	48.3	25%	0.248	22%	0.221	C	C	.	.			trans	-79.6	139.5	164.8	-172.6	0	0	0	0	109.6	F282 L590 A593 L597	V276-F282 HydrophobicContact CG1-CE2 3.65Å; V276-F282 HydrophobicContact CG1-CZ 3.98Å; V276-L590 HydrophobicContact CG1-CD2 4.45Å; V276-A593 HydrophobicContact CG1-CB 3.86Å; V276-A593 HydrophobicContact CG2-CB 4.25Å; V276-A593 WeakPolarHBondContact CG2-O 3.22Å; V276-L597 HydrophobicContact CG2-CD1 4.18Å
277	P	97.3	Very high	96.5	Very high	6 Å²	6	48.2 Å²	48.2	4%	0.039	22%	0.22	C	C	.	.			trans	-59.3	180	167.8	-21.5	29.2	0	0	0	113.2	K279 F282 F484 F517	P277-K279 PolarHBondContact O-N 2.95Å; P277-F282 HydrophobicContact CB-CE2 3.93Å; P277-F282 HydrophobicContact CB-CZ 4.44Å; P277-F282 HydrophobicContact CG-CE2 4.07Å; P277-F282 HydrophobicContact CG-CZ 4.09Å; P277-F484 HydrophobicContact CB-CD2 4.14Å; P277-F484 HydrophobicContact CB-CE2 3.88Å; P277-F484 HydrophobicContact CG-CD2 4.1Å; P277-F484 HydrophobicContact CG-CE2 3.93Å; P277-F517 HydrophobicContact CG-CB 4.37Å; P277-F517 HydrophobicContact CG-CD2 3.57Å; P277-F517 HydrophobicContact CG-CE2 3.94Å; P277-F517 HydrophobicContact CG-CG 3.91Å
278	S	97.6	Very high	96.6	Very high	31 Å²	31	42.7 Å²	42.7	22%	0.217	20%	0.199	C	C	.	.			trans	-59.7	130.3	177.9	-174.5	0	0	0	0	111.3	A280 M281 E468	S278-A280 PolarHBondContact O-N 2.79Å; S278-M281 WeakPolarHBondContact O-CB 3.46Å; S278-M281 PolarHBondContact O-N 3.26Å; S278-E468 WeakPolarHBondContact CA-O 3.49Å; S278-E468 WeakPolarHBondContact CB-O 3.31Å; S278-E468 PolarHBondContact N-O 2.88Å
279	K	98.2	Very high	96.7	Very high	135 Å²	135	36.2 Å²	36.2	59%	0.587	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-24.4	177.5	-62.2	-171.8	178.3	-175.8	0	113.6	P277 M281 F282 R283 L590	P277-K279 PolarHBondContact O-N 2.95Å; K279-M281 VanDerWaalsContact C-N 3.34Å; K279-F282 PolarHBondContact O-N 3.28Å; K279-R283 WeakPolarHBondContact O-CB 3.42Å; K279-R283 VanDerWaalsContact O-CG 3.31Å; K279-R283 WeakPolarHBondContact O-CG 3.41Å; K279-R283 PolarHBondContact O-N 2.92Å; K279-L590 HydrophobicContact CB-CD1 4.25Å; K279-L590 HydrophobicContact CB-CD2 4.25Å; K279-L590 HydrophobicContact CG-CD1 4.41Å; K279-L590 HydrophobicContact CG-CD2 4.01Å
280	A	97.5	Very high	96.7	Very high	17 Å²	17	34.2 Å²	34.2	14%	0.14	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-31.7	176.4	0	0	0	0	0	113.1	S278 F282 R283 H284 S317 R469	S278-A280 PolarHBondContact O-N 2.79Å; A280-F282 PolarHBondContact O-N 2.78Å; A280-R283 PolarHBondContact O-N 3.36Å; A280-H284 PolarHBondContact O-N 2.78Å; A280-S317 WeakPolarHBondContact O-CB 2.97Å; A280-R469 VanDerWaalsContact CB-NH2 3.29Å
281	M	97.4	Very high	96.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.2	175.7	-63.1	-67.3	-73.3	0	0	112.1	S278 K279 I286 H318 R469 F484 S556	S278-M281 WeakPolarHBondContact O-CB 3.46Å; S278-M281 PolarHBondContact O-N 3.26Å; K279-M281 VanDerWaalsContact C-N 3.34Å; M281-I286 HydrophobicContact CE-CD1 3.59Å; M281-I286 HydrophobicContact CE-CG1 4.44Å; M281-I286 HydrophobicContact SD-CD1 4.24Å; M281-I286 HydrophobicContact SD-CG1 4.48Å; M281-H318 PolarHBondContact SD-CE1 3.43Å; M281-R469 HydrophobicContact CG-CG 4.28Å; M281-R469 HydrophobicContact SD-CB 3.9Å; M281-R469 HydrophobicContact SD-CG 4.08Å; M281-F484 HydrophobicContact CB-CD2 3.99Å; M281-F484 HydrophobicContact CB-CE2 3.35Å; M281-F484 HydrophobicContact CB-CZ 3.85Å; M281-F484 HydrophobicContact CE-CB 4.29Å; M281-F484 HydrophobicContact CE-CD2 3.73Å; M281-F484 HydrophobicContact CE-CE2 4.3Å; M281-F484 HydrophobicContact CE-CG 4.06Å; M281-F484 HydrophobicContact CG-CD2 4.24Å; M281-F484 HydrophobicContact CG-CE2 4.02Å; M281-S556 VanDerWaalsContact O-CB 3.26Å; M281-S556 WeakPolarHBondContact O-CB 3.5Å; M281-S556 PolarHBondContact O-OG 3.36Å
282	F	98.4	Very high	96.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-9.3	-178.9	-61.8	-85.9	0	0	0	114.2	V276 P277 K279 A280 F484 F517 P555 H581 A586 V589 L590 A593	V276-F282 HydrophobicContact CG1-CE2 3.65Å; V276-F282 HydrophobicContact CG1-CZ 3.98Å; P277-F282 HydrophobicContact CB-CE2 3.93Å; P277-F282 HydrophobicContact CB-CZ 4.44Å; P277-F282 HydrophobicContact CG-CE2 4.07Å; P277-F282 HydrophobicContact CG-CZ 4.09Å; K279-F282 PolarHBondContact O-N 3.28Å; A280-F282 PolarHBondContact O-N 2.78Å; F282-F484 HydrophobicContact CD1-CE1 4.47Å; F282-F484 HydrophobicContact CD1-CE2 4.46Å; F282-F484 AromaticContact CD1-CZ 3.62Å; F282-F484 HydrophobicContact CD1-CZ 3.62Å; F282-F484 HydrophobicContact CD2-CE2 4.25Å; F282-F484 HydrophobicContact CD2-CZ 4.14Å; F282-F484 HydrophobicContact CE1-CE1 4.25Å; F282-F484 HydrophobicContact CE1-CE2 4.08Å; F282-F484 AromaticContact CE1-CZ 3.41Å; F282-F484 HydrophobicContact CE1-CZ 3.41Å; F282-F484 VanDerWaalsContact CE1-CZ 3.41Å; F282-F484 AromaticContact CE2-CE2 3.82Å; F282-F484 HydrophobicContact CE2-CE2 3.82Å; F282-F484 AromaticContact CE2-CZ 3.93Å; F282-F484 HydrophobicContact CE2-CZ 3.93Å; F282-F484 HydrophobicContact CG-CZ 4.01Å; F282-F484 AromaticContact CZ-CE2 3.74Å; F282-F484 HydrophobicContact CZ-CE2 3.74Å; F282-F484 AromaticContact CZ-CZ 3.58Å; F282-F484 HydrophobicContact CZ-CZ 3.58Å; F282-F517 HydrophobicContact CE1-CD1 4.18Å; F282-F517 AromaticContact CZ-CD1 3.83Å; F282-F517 HydrophobicContact CZ-CD1 3.83Å; F282-F517 HydrophobicContact CZ-CE1 4.23Å; F282-F517 HydrophobicContact CZ-CG 4.39Å; F282-P555 WeakPolarHBondContact CD1-O 3.5Å; F282-H581 PolarHBondContact O-NE2 2.87Å; F282-A586 WeakPolarHBondContact O-CA 3.2Å; F282-A586 WeakPolarHBondContact O-CB 3.14Å; F282-V589 HydrophobicContact CD1-CG1 3.43Å; F282-V589 VanDerWaalsContact CD1-CG1 3.43Å; F282-V589 HydrophobicContact CE1-CG1 3.9Å; F282-V589 HydrophobicContact CG-CG1 4.46Å; F282-L590 HydrophobicContact CB-CD1 4.34Å; F282-L590 HydrophobicContact CB-CD2 3.75Å; F282-L590 HydrophobicContact CB-CG 3.8Å; F282-L590 HydrophobicContact CD1-CD2 4.44Å; F282-L590 HydrophobicContact CD2-CD2 3.44Å; F282-L590 VanDerWaalsContact CD2-CD2 3.44Å; F282-L590 HydrophobicContact CD2-CG 4.41Å; F282-L590 HydrophobicContact CE2-CD2 4.08Å; F282-L590 HydrophobicContact CG-CD2 3.64Å; F282-L590 HydrophobicContact CG-CG 4.14Å; F282-A593 HydrophobicContact CE1-CB 4.23Å; F282-A593 HydrophobicContact CZ-CB 4.11Å
283	R	98.4	Very high	96.5	Very high	103 Å²	103	30.1 Å²	30.1	39%	0.389	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-33	-170.1	-78.3	176.7	175.8	-157.3	-7.3	114.3	K279 A280 A586 L590	K279-R283 WeakPolarHBondContact O-CB 3.42Å; K279-R283 VanDerWaalsContact O-CG 3.31Å; K279-R283 WeakPolarHBondContact O-CG 3.41Å; K279-R283 PolarHBondContact O-N 2.92Å; A280-R283 PolarHBondContact O-N 3.36Å; R283-A586 HydrophobicContact CB-CB 4.37Å; R283-A586 HydrophobicContact CG-CB 3.78Å; R283-L590 HydrophobicContact CG-CD1 4.02Å
284	H	98.3	Very high	96.3	Very high	39 Å²	39	30.6 Å²	30.6	18%	0.181	15%	0.148	C	C	.	.	S	Bend	trans	-132.2	146.3	-171.7	-50.7	-49.5	0	0	0	109.2	A280 N315 S317 E582	A280-H284 PolarHBondContact O-N 2.78Å; H284-N315 HydrophobicContact CB-CB 4.21Å; H284-S317 WeakPolarHBondContact O-CB 3.4Å; H284-E582 IonicContact CE1-OE1 2.83Å; H284-E582 PolarHBondContact CE1-OE1 3.47Å; H284-E582 IonicContact CE1-OE2 3.51Å; H284-E582 PolarHBondContact CE1-OE2 2.97Å; H284-E582 IonicContact ND1-OE1 2.77Å; H284-E582 IonicContact ND1-OE2 3.57Å; H284-E582 PolarHBondContact ND1-OE2 2.91Å
285	P	98.3	Very high	96.4	Very high	2 Å²	2	28 Å²	28	1%	0.013	14%	0.136	C	C	.	.			trans	-64.6	145.1	-179.2	23.1	-32.3	0	0	0	112.9	W287 N315 S317 M557 F559 T578	P285-W287 HydrophobicContact CG-CZ2 4.11Å; P285-W287 VanDerWaalsContact O-CD1 3.31Å; P285-N315 WeakPolarHBondContact CG-O 3.3Å; P285-S317 PolarHBondContact O-N 3.05Å; P285-M557 CarbonylContact C-O 3.54Å; P285-M557 WeakPolarHBondContact CA-O 3.46Å; P285-M557 HydrophobicContact CB-CB 4.08Å; P285-F559 HydrophobicContact CB-CD2 3.65Å; P285-F559 HydrophobicContact CB-CE2 3.8Å; P285-F559 HydrophobicContact CG-CD2 4.17Å; P285-F559 HydrophobicContact CG-CE2 4.05Å; P285-T578 HydrophobicContact CG-CG2 4Å
286	I	98.6	Very high	96.3	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	143.1	162	-51.4	172.4	0	0	0	107.6	M281 E320 L519 M557 Q558 F559	M281-I286 HydrophobicContact CE-CD1 3.59Å; M281-I286 HydrophobicContact CE-CG1 4.44Å; M281-I286 HydrophobicContact SD-CD1 4.24Å; M281-I286 HydrophobicContact SD-CG1 4.48Å; I286-E320 HydrophobicContact CG2-CB 4.25Å; I286-L519 HydrophobicContact CD1-CD1 3.91Å; I286-L519 HydrophobicContact CD1-CD2 4.04Å; I286-M557 PolarHBondContact N-O 3.26Å; I286-Q558 HydrophobicContact CB-CB 4.13Å; I286-Q558 HydrophobicContact CB-CG 4.05Å; I286-Q558 HydrophobicContact CG2-CG 4.21Å; I286-Q558 WeakPolarHBondContact O-CA 3.34Å; I286-F559 PolarHBondContact O-N 2.98Å
287	W	98.5	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	96.8	179.8	-67.1	83.3	0	0	0	110.2	P285 F305 I309 F314 N315 C316 H318 L319 E320 F559 P562 W564	P285-W287 HydrophobicContact CG-CZ2 4.11Å; P285-W287 VanDerWaalsContact O-CD1 3.31Å; W287-F305 HydrophobicContact CB-CE1 3.83Å; W287-F305 HydrophobicContact CB-CZ 4.13Å; W287-F305 HydrophobicContact CE3-CZ 4.25Å; W287-I309 HydrophobicContact CB-CD1 3.71Å; W287-I309 HydrophobicContact CD2-CD1 3.65Å; W287-I309 HydrophobicContact CD2-CG1 3.76Å; W287-I309 HydrophobicContact CE3-CD1 4.03Å; W287-I309 HydrophobicContact CE3-CG1 3.87Å; W287-I309 HydrophobicContact CG-CD1 3.51Å; W287-I309 HydrophobicContact CG-CG1 4.17Å; W287-I309 HydrophobicContact CZ2-CG2 4.47Å; W287-I309 HydrophobicContact CZ3-CG1 4.33Å; W287-F314 HydrophobicContact CH2-CB 4.29Å; W287-F314 HydrophobicContact CH2-CD1 4.37Å; W287-F314 AromaticContact CH2-CD2 3.93Å; W287-F314 HydrophobicContact CH2-CD2 3.93Å; W287-F314 HydrophobicContact CH2-CE2 4.36Å; W287-F314 AromaticContact CH2-CG 3.94Å; W287-F314 HydrophobicContact CH2-CG 3.94Å; W287-F314 HydrophobicContact CZ2-CB 3.61Å; W287-F314 HydrophobicContact CZ2-CD1 4.09Å; W287-F314 HydrophobicContact CZ2-CD2 4.12Å; W287-F314 AromaticContact CZ2-CG 3.68Å; W287-F314 HydrophobicContact CZ2-CG 3.68Å; W287-N315 PolarHBondContact NE1-O 3.21Å; W287-N315 VanDerWaalsContact NE1-O 3.16Å; W287-C316 VanDerWaalsContact CD1-SG 3.58Å; W287-H318 PolarHBondContact N-O 2.81Å; W287-H318 VanDerWaalsContact N-O 3.09Å; W287-L319 HydrophobicContact CB-CD2 3.99Å; W287-L319 CarbonylContact O-C 3.42Å; W287-L319 WeakPolarHBondContact O-CA 3.26Å; W287-E320 PolarHBondContact O-N 2.78Å; W287-F559 HydrophobicContact CD2-CB 4.15Å; W287-F559 HydrophobicContact CD2-CD2 4.3Å; W287-F559 AromaticContact CE2-CD2 3.96Å; W287-F559 HydrophobicContact CE3-CB 3.63Å; W287-F559 HydrophobicContact CE3-CD2 4.27Å; W287-F559 HydrophobicContact CE3-CG 4.21Å; W287-F559 HydrophobicContact CH2-CB 4.24Å; W287-F559 AromaticContact CH2-CD2 3.57Å; W287-F559 HydrophobicContact CH2-CD2 3.57Å; W287-F559 HydrophobicContact CH2-CE2 4.05Å; W287-F559 AromaticContact CH2-CG 3.91Å; W287-F559 HydrophobicContact CH2-CG 3.91Å; W287-F559 AromaticContact CZ2-CD2 3.59Å; W287-F559 HydrophobicContact CZ2-CD2 3.59Å; W287-F559 HydrophobicContact CZ2-CE2 4.01Å; W287-F559 HydrophobicContact CZ2-CG 4.35Å; W287-F559 HydrophobicContact CZ3-CB 3.68Å; W287-F559 AromaticContact CZ3-CD2 3.93Å; W287-F559 HydrophobicContact CZ3-CD2 3.93Å; W287-F559 AromaticContact CZ3-CG 3.84Å; W287-F559 HydrophobicContact CZ3-CG 3.84Å; W287-P562 HydrophobicContact CZ3-CB 4.2Å; W287-W564 HydrophobicContact CE3-CH2 4.07Å; W287-W564 HydrophobicContact CH2-CH2 4.1Å; W287-W564 AromaticContact CH2-CZ3 3.82Å; W287-W564 HydrophobicContact CH2-CZ3 3.82Å; W287-W564 AromaticContact CZ3-CH2 3.52Å; W287-W564 HydrophobicContact CZ3-CH2 3.52Å; W287-W564 AromaticContact CZ3-CZ3 3.67Å; W287-W564 HydrophobicContact CZ3-CZ3 3.67Å
288	S	97.8	Very high	96.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	148.4	179.4	-170.2	0	0	0	0	111.8	W290 F305 E320 F559	S288-W290 PolarHBondContact OG-N 2.81Å; S288-F305 WeakPolarHBondContact O-CZ 3.39Å; S288-E320 WeakPolarHBondContact CA-O 3.48Å; S288-E320 VanDerWaalsContact CB-OE1 3.22Å; S288-E320 WeakPolarHBondContact CB-OE1 3.4Å; S288-E320 PolarHBondContact OG-OE1 2.95Å; S288-F559 PolarHBondContact N-O 2.89Å
289	T	96.9	Very high	96.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-92.2	-4.8	173.7	56.6	0	0	0	0	113.9	H293 K294 I297 L302 F305 E320 D322	T289-H293 PolarHBondContact O-N 3.36Å; T289-K294 PolarHBondContact O-N 2.92Å; T289-I297 HydrophobicContact CG2-CD1 3.92Å; T289-I297 HydrophobicContact CG2-CG1 4.24Å; T289-L302 HydrophobicContact CG2-CD1 4.01Å; T289-F305 HydrophobicContact CG2-CD1 4.05Å; T289-F305 HydrophobicContact CG2-CE1 4.04Å; T289-E320 PolarHBondContact N-O 3Å; T289-E320 PolarHBondContact OG1-O 3.36Å; T289-D322 CarbonylContact C-O 3.6Å; T289-D322 PolarHBondContact OG1-N 2.79Å; T289-D322 PolarHBondContact OG1-O 2.86Å
290	W	93.8	Very high	96.3	Very high	13 Å²	13	30.5 Å²	30.5	5%	0.049	15%	0.149	C	C	.	.	H	α-helix	trans	-53.9	-59.8	-170.7	173.9	-133.1	0	0	0	114.1	S288 K294 D322 D323 D489 M522	S288-W290 PolarHBondContact OG-N 2.81Å; W290-K294 HydrophobicContact CE3-CG 4.06Å; W290-K294 HydrophobicContact CH2-CG 4.19Å; W290-K294 HydrophobicContact CZ3-CG 3.69Å; W290-K294 WeakPolarHBondContact O-CA 3.43Å; W290-K294 WeakPolarHBondContact O-CB 3.27Å; W290-K294 PolarHBondContact O-N 3.07Å; W290-D322 HydrophobicContact CB-CB 4.1Å; W290-D323 HydrophobicContact CE3-CB 4.02Å; W290-D323 HydrophobicContact CZ3-CB 3.81Å; W290-D489 PolarHBondContact NE1-OD2 2.83Å; W290-M522 HydrophobicContact CB-SD 4.38Å; W290-M522 HydrophobicContact CG-SD 4.43Å
291	A	92.1	Very high	96.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-79.6	-27	-172.7	0	0	0	0	0	113.3	M522 A527 R536 S560 I561	A291-M522 HydrophobicContact CB-CE 4.18Å; A291-A527 HydrophobicContact CB-CB 4.47Å; A291-R536 WeakPolarHBondContact O-CD 3.46Å; A291-S560 WeakPolarHBondContact CB-OG 3.42Å; A291-S560 PolarHBondContact N-OG 3.11Å; A291-I561 HydrophobicContact CB-CD1 3.64Å; A291-I561 HydrophobicContact CB-CG1 3.91Å; A291-I561 WeakPolarHBondContact O-CD1 3.31Å
292	L	92.9	Very high	96.4	Very high	23 Å²	23	33.2 Å²	33.2	12%	0.12	16%	0.158	C	C	.	.	H	α-helix	trans	-80.1	-43.2	178.3	172.4	63	0	0	0	113	F305 S560 P562 E565	L292-F305 HydrophobicContact CD2-CD2 3.55Å; L292-F305 HydrophobicContact CD2-CE2 3.51Å; L292-S560 VanDerWaalsContact CB-O 3.24Å; L292-S560 WeakPolarHBondContact CB-O 3.43Å; L292-S560 PolarHBondContact N-O 3.45Å; L292-P562 HydrophobicContact CD2-CG 3.9Å; L292-E565 VanDerWaalsContact CD1-CD 3.45Å; L292-E565 HydrophobicContact CD1-CG 4.1Å; L292-E565 WeakPolarHBondContact CD1-OE2 3.4Å
293	H	93	Very high	96.4	Very high	39 Å²	39	35.5 Å²	35.5	18%	0.181	17%	0.17	C	C	.	.	H	α-helix	trans	-120.9	-26	-169.3	-66.3	-51.9	0	0	0	114.1	T289 T295 D296 I297	T289-H293 PolarHBondContact O-N 3.36Å; H293-T295 PolarHBondContact O-N 3.29Å; H293-D296 WeakPolarHBondContact O-CA 3.5Å; H293-D296 WeakPolarHBondContact O-CB 3.46Å; H293-D296 PolarHBondContact O-N 3.21Å; H293-I297 HydrophobicContact CB-CB 3.79Å; H293-I297 HydrophobicContact CB-CD1 3.98Å; H293-I297 HydrophobicContact CB-CG1 4.37Å
294	K	91.1	Very high	96.4	Very high	19 Å²	19	36.7 Å²	36.7	8%	0.083	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	49	-128.2	176.8	-156.6	-158.2	-161.7	75	0	111.5	T289 W290 D296 I297 D323 Y528 T532	T289-K294 PolarHBondContact O-N 2.92Å; W290-K294 HydrophobicContact CE3-CG 4.06Å; W290-K294 HydrophobicContact CH2-CG 4.19Å; W290-K294 HydrophobicContact CZ3-CG 3.69Å; W290-K294 WeakPolarHBondContact O-CA 3.43Å; W290-K294 WeakPolarHBondContact O-CB 3.27Å; W290-K294 PolarHBondContact O-N 3.07Å; K294-D296 PolarHBondContact O-N 3.07Å; K294-I297 WeakPolarHBondContact O-CG2 3.36Å; K294-D323 PolarHBondContact O-N 3.2Å; K294-D323 VanDerWaalsContact O-N 3.13Å; K294-Y528 WeakPolarHBondContact CB-OH 3.3Å; K294-Y528 HydrophobicContact CD-CE1 4.33Å; K294-Y528 HydrophobicContact CD-CE2 4.27Å; K294-Y528 HydrophobicContact CG-CE2 4.32Å; K294-Y528 VanDerWaalsContact NZ-CD2 3.26Å; K294-T532 WeakPolarHBondContact CE-O 3.44Å; K294-T532 PolarHBondContact NZ-O 3.24Å
295	T	93.6	Very high	96.4	Very high	52 Å²	52	35 Å²	35	32%	0.319	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-72.5	-13	178.5	55.8	0	0	0	0	114.5	H293 R324 K338	H293-T295 PolarHBondContact O-N 3.29Å; T295-R324 HydrophobicContact CG2-CB 4.37Å; T295-R324 HydrophobicContact CG2-CG 3.65Å; T295-K338 PolarHBondContact O-NZ 2.85Å
296	D	94.3	Very high	96.4	Very high	108 Å²	108	35 Å²	35	58%	0.578	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-91.8	0.9	-174.1	-64.9	-7.5	0	0	0	112.6	H293 K294 D298 K301	H293-D296 WeakPolarHBondContact O-CA 3.5Å; H293-D296 WeakPolarHBondContact O-CB 3.46Å; H293-D296 PolarHBondContact O-N 3.21Å; K294-D296 PolarHBondContact O-N 3.07Å; D296-D298 PolarHBondContact O-N 2.75Å; D296-K301 WeakPolarHBondContact O-CD 3.1Å; D296-K301 PolarHBondContact O-NZ 2.78Å
297	I	96.8	Very high	96.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.			trans	-61	132.3	177.5	-173.2	57	0	0	0	111.8	T289 H293 K294 K301 L302 L321 D323 K338 F339	T289-I297 HydrophobicContact CG2-CD1 3.92Å; T289-I297 HydrophobicContact CG2-CG1 4.24Å; H293-I297 HydrophobicContact CB-CB 3.79Å; H293-I297 HydrophobicContact CB-CD1 3.98Å; H293-I297 HydrophobicContact CB-CG1 4.37Å; K294-I297 WeakPolarHBondContact O-CG2 3.36Å; I297-K301 HydrophobicContact CD1-CB 3.78Å; I297-L302 HydrophobicContact CD1-CB 4.17Å; I297-L321 HydrophobicContact CB-CD1 4.37Å; I297-L321 HydrophobicContact CD1-CD1 4.45Å; I297-L321 HydrophobicContact CG1-CD1 3.41Å; I297-L321 VanDerWaalsContact CG1-CD1 3.41Å; I297-L321 HydrophobicContact CG2-CD1 4Å; I297-D323 WeakPolarHBondContact CG2-O 3.48Å; I297-K338 WeakPolarHBondContact O-CE 3.5Å; I297-K338 PolarHBondContact O-NZ 3.22Å; I297-F339 HydrophobicContact CG1-CZ 4.44Å
298	D	98.2	Very high	96.4	Very high	37 Å²	37	39 Å²	39	20%	0.198	20%	0.198	C	C	.	.			trans	-137.1	177.7	178.8	63.3	50.7	0	0	0	110.9	D296 E300 K301 L302 K338 F339	D296-D298 PolarHBondContact O-N 2.75Å; D298-E300 VanDerWaalsContact C-N 3.34Å; D298-E300 PolarHBondContact O-N 2.75Å; D298-E300 PolarHBondContact OD1-N 2.79Å; D298-K301 PolarHBondContact O-N 2.92Å; D298-K301 WeakPolarHBondContact OD1-CG 3.35Å; D298-K301 PolarHBondContact OD1-N 2.89Å; D298-K301 VanDerWaalsContact OD2-CD 3.23Å; D298-K301 WeakPolarHBondContact OD2-CD 3.24Å; D298-K301 WeakPolarHBondContact OD2-CE 3.38Å; D298-K301 IonicContact OD2-NZ 2.71Å; D298-K301 PolarHBondContact OD2-NZ 3.32Å; D298-L302 PolarHBondContact O-N 3.02Å; D298-K338 HydrophobicContact CB-CB 4.39Å; D298-K338 WeakPolarHBondContact CB-O 3.49Å; D298-F339 VanDerWaalsContact C-CE1 3.41Å
299	Q	98.5	Very high	96.5	Very high	38 Å²	38	39 Å²	39	18%	0.178	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-37	-178.3	170.1	173.7	-43	0	0	113.8	L303 K338 F339 N341 M345	Q299-L303 HydrophobicContact CG-CD1 4.2Å; Q299-L303 WeakPolarHBondContact O-CD1 3.44Å; Q299-L303 VanDerWaalsContact O-CG 3.27Å; Q299-L303 WeakPolarHBondContact O-CG 3.46Å; Q299-L303 PolarHBondContact O-N 3.13Å; Q299-K338 PolarHBondContact N-O 3.15Å; Q299-F339 HydrophobicContact CB-CD1 3.81Å; Q299-F339 HydrophobicContact CB-CE1 4.41Å; Q299-F339 HydrophobicContact CB-CG 4.43Å; Q299-N341 VanDerWaalsContact OE1-C 3.24Å; Q299-N341 PolarHBondContact OE1-O 2.65Å; Q299-M345 HydrophobicContact CB-SD 3.88Å; Q299-M345 HydrophobicContact CG-CB 4.09Å; Q299-M345 HydrophobicContact CG-CG 4.08Å; Q299-M345 HydrophobicContact CG-SD 3.75Å
300	E	98.4	Very high	96.5	Very high	150 Å²	150	44.5 Å²	44.5	70%	0.701	22%	0.219	S	C	*	.	H	α-helix	trans	-73.1	-45.7	179.2	-171	-174.1	147.2	0	0	110.3	D298 L302 L303 K304	D298-E300 VanDerWaalsContact C-N 3.34Å; D298-E300 PolarHBondContact O-N 2.75Å; D298-E300 PolarHBondContact OD1-N 2.79Å; E300-L302 PolarHBondContact O-N 3.41Å; E300-L303 PolarHBondContact O-N 3.37Å; E300-K304 VanDerWaalsContact O-CB 3.31Å; E300-K304 WeakPolarHBondContact O-CB 3.31Å; E300-K304 PolarHBondContact O-N 2.59Å
301	K	98.3	Very high	96.7	Very high	74 Å²	74	51.3 Å²	51.3	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-58.3	-44.8	177.4	-71.8	171.3	-173	137	0	111.6	D296 I297 D298 K304 F305	D296-K301 WeakPolarHBondContact O-CD 3.1Å; D296-K301 PolarHBondContact O-NZ 2.78Å; I297-K301 HydrophobicContact CD1-CB 3.78Å; D298-K301 PolarHBondContact O-N 2.92Å; D298-K301 WeakPolarHBondContact OD1-CG 3.35Å; D298-K301 PolarHBondContact OD1-N 2.89Å; D298-K301 VanDerWaalsContact OD2-CD 3.23Å; D298-K301 WeakPolarHBondContact OD2-CD 3.24Å; D298-K301 WeakPolarHBondContact OD2-CE 3.38Å; D298-K301 IonicContact OD2-NZ 2.71Å; D298-K301 PolarHBondContact OD2-NZ 3.32Å; K301-K304 PolarHBondContact O-N 3.25Å; K301-F305 VanDerWaalsContact O-CB 3.26Å; K301-F305 WeakPolarHBondContact O-CB 3.22Å; K301-F305 PolarHBondContact O-N 3.25Å
302	L	98.5	Very high	97	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.3	-42.2	177.6	-175.8	61.7	0	0	0	112.4	T289 I297 D298 E300 F305 A306 L319 L321 M345 L349	T289-L302 HydrophobicContact CG2-CD1 4.01Å; I297-L302 HydrophobicContact CD1-CB 4.17Å; D298-L302 PolarHBondContact O-N 3.02Å; E300-L302 PolarHBondContact O-N 3.41Å; L302-F305 PolarHBondContact O-N 2.73Å; L302-A306 WeakPolarHBondContact O-CB 3.37Å; L302-A306 PolarHBondContact O-N 3.48Å; L302-L319 HydrophobicContact CD1-CD1 4.25Å; L302-L321 HydrophobicContact CD1-CD1 4.46Å; L302-L321 HydrophobicContact CD2-CD1 4.22Å; L302-L321 HydrophobicContact CD2-CD2 4.06Å; L302-M345 HydrophobicContact CB-SD 4.4Å; L302-M345 HydrophobicContact CD2-CE 3.83Å; L302-M345 HydrophobicContact CD2-SD 3.82Å; L302-L349 HydrophobicContact CD2-CD1 3.93Å; L302-L349 HydrophobicContact CG-CD1 4.24Å
303	L	98.6	Very high	97.2	Very high	47 Å²	47	53.7 Å²	53.7	25%	0.246	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-37.7	176.2	-71.5	170.9	0	0	0	112.1	Q299 E300 A307 M345 K348 L349	Q299-L303 HydrophobicContact CG-CD1 4.2Å; Q299-L303 WeakPolarHBondContact O-CD1 3.44Å; Q299-L303 VanDerWaalsContact O-CG 3.27Å; Q299-L303 WeakPolarHBondContact O-CG 3.46Å; Q299-L303 PolarHBondContact O-N 3.13Å; E300-L303 PolarHBondContact O-N 3.37Å; L303-A307 WeakPolarHBondContact O-CB 3.2Å; L303-A307 PolarHBondContact O-N 2.88Å; L303-M345 HydrophobicContact CD1-CG 4.36Å; L303-M345 HydrophobicContact CD2-CG 4.08Å; L303-M345 HydrophobicContact CG-CG 4.07Å; L303-K348 HydrophobicContact CD2-CB 4.18Å; L303-K348 HydrophobicContact CD2-CG 3.89Å; L303-L349 HydrophobicContact CD2-CD2 3.96Å; L303-L349 HydrophobicContact CD2-CG 3.96Å
304	K	98.5	Very high	97.4	Very high	129 Å²	129	52.4 Å²	52.4	56%	0.561	27%	0.265	S	S	*	.	H	α-helix	trans	-68.5	-40.8	175.3	-177.2	177.7	177.6	-179	0	112.1	E300 K301 A307 N308	E300-K304 VanDerWaalsContact O-CB 3.31Å; E300-K304 WeakPolarHBondContact O-CB 3.31Å; E300-K304 PolarHBondContact O-N 2.59Å; K301-K304 PolarHBondContact O-N 3.25Å; K304-A307 PolarHBondContact O-N 3.1Å; K304-N308 WeakPolarHBondContact O-CB 3.32Å; K304-N308 PolarHBondContact O-N 3.09Å
305	F	98.4	Very high	97.7	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-49.7	174.5	-175.3	-110.1	0	0	0	110.8	W287 S288 T289 L292 K301 L302 A307 N308 I309 L319 P562 W564	W287-F305 HydrophobicContact CB-CE1 3.83Å; W287-F305 HydrophobicContact CB-CZ 4.13Å; W287-F305 HydrophobicContact CE3-CZ 4.25Å; S288-F305 WeakPolarHBondContact O-CZ 3.39Å; T289-F305 HydrophobicContact CG2-CD1 4.05Å; T289-F305 HydrophobicContact CG2-CE1 4.04Å; L292-F305 HydrophobicContact CD2-CD2 3.55Å; L292-F305 HydrophobicContact CD2-CE2 3.51Å; K301-F305 VanDerWaalsContact O-CB 3.26Å; K301-F305 WeakPolarHBondContact O-CB 3.22Å; K301-F305 PolarHBondContact O-N 3.25Å; L302-F305 PolarHBondContact O-N 2.73Å; F305-A307 PolarHBondContact O-N 3.31Å; F305-N308 PolarHBondContact O-N 3.17Å; F305-I309 HydrophobicContact CD1-CD1 4.14Å; F305-I309 HydrophobicContact CE1-CD1 4.08Å; F305-I309 WeakPolarHBondContact O-CG1 3.47Å; F305-I309 PolarHBondContact O-N 3.35Å; F305-I309 VanDerWaalsContact O-N 3.08Å; F305-L319 HydrophobicContact CD1-CD2 4.44Å; F305-L319 HydrophobicContact CE1-CD2 4.46Å; F305-P562 HydrophobicContact CD2-CG 4.4Å; F305-P562 HydrophobicContact CE2-CG 3.61Å; F305-P562 HydrophobicContact CZ-CG 4.46Å; F305-W564 HydrophobicContact CD2-CZ2 4.35Å; F305-W564 HydrophobicContact CE2-CZ2 4.41Å
306	A	98.6	Very high	97.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56.8	-44.6	172.8	0	0	0	0	0	112.9	L302 I309 R310 L319 L349 F354	L302-A306 WeakPolarHBondContact O-CB 3.37Å; L302-A306 PolarHBondContact O-N 3.48Å; A306-I309 PolarHBondContact O-N 3.26Å; A306-R310 PolarHBondContact O-N 3.31Å; A306-L319 HydrophobicContact CB-CD1 3.86Å; A306-L349 HydrophobicContact CB-CD2 3.46Å; A306-L349 VanDerWaalsContact CB-CD2 3.46Å; A306-F354 HydrophobicContact CB-CD2 3.73Å; A306-F354 HydrophobicContact CB-CE2 3.55Å; A306-F354 HydrophobicContact CB-CZ 4.32Å; A306-F354 WeakPolarHBondContact O-CE2 3.36Å; A306-F354 WeakPolarHBondContact O-CZ 3.47Å
307	A	98.4	Very high	98	Very high	51 Å²	51	49.5 Å²	49.5	42%	0.421	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-38	176.6	0	0	0	0	0	112.6	L303 K304 F305 R310 K311	L303-A307 WeakPolarHBondContact O-CB 3.2Å; L303-A307 PolarHBondContact O-N 2.88Å; K304-A307 PolarHBondContact O-N 3.1Å; F305-A307 PolarHBondContact O-N 3.31Å; A307-R310 PolarHBondContact O-N 2.71Å; A307-K311 WeakPolarHBondContact O-CB 3.47Å; A307-K311 PolarHBondContact O-N 3.02Å
308	N	98.4	Very high	98.1	Very high	35 Å²	35	49.7 Å²	49.7	19%	0.187	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-41	177.3	-79.3	-14.6	0	0	0	112.3	K304 F305 R310 K311 H312 W564	K304-N308 WeakPolarHBondContact O-CB 3.32Å; K304-N308 PolarHBondContact O-N 3.09Å; F305-N308 PolarHBondContact O-N 3.17Å; N308-R310 VanDerWaalsContact C-N 3.29Å; N308-R310 PolarHBondContact O-N 2.95Å; N308-K311 PolarHBondContact O-N 2.85Å; N308-K311 VanDerWaalsContact O-N 3.11Å; N308-H312 PolarHBondContact O-CD2 2.96Å; N308-H312 PolarHBondContact O-N 3.13Å; N308-W564 HydrophobicContact CB-CD2 4.5Å; N308-W564 HydrophobicContact CB-CH2 4.16Å; N308-W564 HydrophobicContact CB-CZ2 3.66Å
309	I	98.6	Very high	98.1	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-53.5	-47.2	174.7	-66.5	164	0	0	0	110.5	W287 F305 A306 G313 F314 C316 L319 F354 W564	W287-I309 HydrophobicContact CB-CD1 3.71Å; W287-I309 HydrophobicContact CD2-CD1 3.65Å; W287-I309 HydrophobicContact CD2-CG1 3.76Å; W287-I309 HydrophobicContact CE3-CD1 4.03Å; W287-I309 HydrophobicContact CE3-CG1 3.87Å; W287-I309 HydrophobicContact CG-CD1 3.51Å; W287-I309 HydrophobicContact CG-CG1 4.17Å; W287-I309 HydrophobicContact CZ2-CG2 4.47Å; W287-I309 HydrophobicContact CZ3-CG1 4.33Å; F305-I309 HydrophobicContact CD1-CD1 4.14Å; F305-I309 HydrophobicContact CE1-CD1 4.08Å; F305-I309 WeakPolarHBondContact O-CG1 3.47Å; F305-I309 PolarHBondContact O-N 3.35Å; F305-I309 VanDerWaalsContact O-N 3.08Å; A306-I309 PolarHBondContact O-N 3.26Å; I309-G313 PolarHBondContact O-N 2.8Å; I309-F314 HydrophobicContact CG2-CB 4.01Å; I309-F314 PolarHBondContact O-N 2.78Å; I309-C316 HydrophobicContact CG2-CB 4.37Å; I309-L319 HydrophobicContact CD1-CD2 3.4Å; I309-F354 HydrophobicContact CB-CE1 4.41Å; I309-F354 HydrophobicContact CB-CZ 4.04Å; I309-F354 HydrophobicContact CD1-CE1 4.44Å; I309-F354 HydrophobicContact CG2-CE1 4.02Å; I309-F354 HydrophobicContact CG2-CZ 4.03Å; I309-W564 HydrophobicContact CB-CH2 4.48Å; I309-W564 HydrophobicContact CG1-CH2 3.67Å; I309-W564 HydrophobicContact CG1-CZ3 4.43Å
310	R	97.3	Very high	98.1	Very high	116 Å²	116	46.2 Å²	46.2	44%	0.438	23%	0.234	S	C	.	.	H	α-helix	trans	-67.6	-44	174.3	-72.3	-147.6	-154.4	91.8	73.3	113.4	A306 A307 N308 H312 G313 D352 F354	A306-R310 PolarHBondContact O-N 3.31Å; A307-R310 PolarHBondContact O-N 2.71Å; N308-R310 VanDerWaalsContact C-N 3.29Å; N308-R310 PolarHBondContact O-N 2.95Å; R310-H312 VanDerWaalsContact C-N 3.26Å; R310-H312 PolarHBondContact O-N 2.73Å; R310-G313 WeakPolarHBondContact O-CA 3.17Å; R310-G313 PolarHBondContact O-N 2.7Å; R310-D352 IonicContact CZ-OD1 2.81Å; R310-D352 PolarHBondContact NE-O 3.04Å; R310-D352 VanDerWaalsContact NH1-CG 3.29Å; R310-D352 IonicContact NH1-OD1 2.73Å; R310-D352 PolarHBondContact NH1-OD1 2.87Å; R310-D352 IonicContact NH1-OD2 2.91Å; R310-D352 PolarHBondContact NH2-O 2.94Å; R310-D352 IonicContact NH2-OD1 3.32Å; R310-D352 IonicContact NH2-OD2 3.67Å; R310-D352 PolarHBondContact NH2-OD2 3.36Å; R310-F354 HydrophobicContact CG-CE2 4.32Å; R310-F354 HydrophobicContact CG-CZ 4.07Å
311	K	98.1	Very high	98.1	Very high	155 Å²	155	39.1 Å²	39.1	67%	0.674	20%	0.201	S	C	*	.	H	α-helix	trans	-56.8	-40.9	-179	179.4	-164.2	166.7	-149.5	0	111.8	A307 N308 G313	A307-K311 WeakPolarHBondContact O-CB 3.47Å; A307-K311 PolarHBondContact O-N 3.02Å; N308-K311 PolarHBondContact O-N 2.85Å; N308-K311 VanDerWaalsContact O-N 3.11Å; K311-G313 VanDerWaalsContact C-N 3.29Å
312	H	98.2	Very high	97.9	Very high	29 Å²	29	35.6 Å²	35.6	13%	0.134	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-0.8	177.5	-69.6	-91.7	0	0	0	113	N308 R310 F314 W564 V571 R575	N308-H312 PolarHBondContact O-CD2 2.96Å; N308-H312 PolarHBondContact O-N 3.13Å; R310-H312 VanDerWaalsContact C-N 3.26Å; R310-H312 PolarHBondContact O-N 2.73Å; H312-F314 HydrophobicContact CB-CD2 3.79Å; H312-F314 HydrophobicContact CB-CE2 3.71Å; H312-W564 HydrophobicContact CB-CE3 3.95Å; H312-W564 HydrophobicContact CB-CZ3 4.33Å; H312-W564 AromaticContact CD2-CD2 4Å; H312-W564 AromaticContact CD2-CE3 3.84Å; H312-W564 AromaticContact CG-CE3 3.8Å; H312-V571 HydrophobicContact CB-CG1 4.39Å; H312-R575 PolarHBondContact O-NH1 3.46Å
313	G	96.7	Very high	97.6	Very high	44 Å²	44	35.7 Å²	35.7	45%	0.454	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	31.6	170.2	0	0	0	0	0	115.1	I309 R310 K311	I309-G313 PolarHBondContact O-N 2.8Å; R310-G313 WeakPolarHBondContact O-CA 3.17Å; R310-G313 PolarHBondContact O-N 2.7Å; K311-G313 VanDerWaalsContact C-N 3.29Å
314	F	98.3	Very high	97.3	Very high	12 Å²	12	36.3 Å²	36.3	5%	0.053	19%	0.185	C	C	.	.			trans	-91.9	142.8	178.4	-70.7	-75.3	0	0	0	113	W287 I309 H312 P563 W564 V571 A574 R575 T578	W287-F314 HydrophobicContact CH2-CB 4.29Å; W287-F314 HydrophobicContact CH2-CD1 4.37Å; W287-F314 AromaticContact CH2-CD2 3.93Å; W287-F314 HydrophobicContact CH2-CD2 3.93Å; W287-F314 HydrophobicContact CH2-CE2 4.36Å; W287-F314 AromaticContact CH2-CG 3.94Å; W287-F314 HydrophobicContact CH2-CG 3.94Å; W287-F314 HydrophobicContact CZ2-CB 3.61Å; W287-F314 HydrophobicContact CZ2-CD1 4.09Å; W287-F314 HydrophobicContact CZ2-CD2 4.12Å; W287-F314 AromaticContact CZ2-CG 3.68Å; W287-F314 HydrophobicContact CZ2-CG 3.68Å; I309-F314 HydrophobicContact CG2-CB 4.01Å; I309-F314 PolarHBondContact O-N 2.78Å; H312-F314 HydrophobicContact CB-CD2 3.79Å; H312-F314 HydrophobicContact CB-CE2 3.71Å; F314-P563 HydrophobicContact CE2-CG 3.88Å; F314-P563 HydrophobicContact CZ-CG 3.71Å; F314-W564 HydrophobicContact CD2-CE3 4.46Å; F314-W564 AromaticContact CD2-CZ3 3.96Å; F314-W564 HydrophobicContact CD2-CZ3 3.96Å; F314-W564 HydrophobicContact CE2-CE3 4.19Å; F314-W564 HydrophobicContact CE2-CZ3 4.1Å; F314-V571 HydrophobicContact CE2-CG1 4.26Å; F314-V571 HydrophobicContact CZ-CG1 4.29Å; F314-A574 HydrophobicContact CE1-CB 3.84Å; F314-A574 HydrophobicContact CZ-CB 3.75Å; F314-R575 HydrophobicContact CD1-CG 4.33Å; F314-R575 HydrophobicContact CE1-CB 4.44Å; F314-R575 HydrophobicContact CE1-CG 3.64Å; F314-R575 HydrophobicContact CE2-CG 4.49Å; F314-R575 HydrophobicContact CZ-CG 3.72Å; F314-T578 HydrophobicContact CD1-CG2 4.38Å
315	N	96.4	Very high	97.3	Very high	84 Å²	84	30.5 Å²	30.5	45%	0.449	16%	0.16	S	C	.	.			trans	-72.9	160.1	164.1	-73.8	-22.2	0	0	0	110.9	H284 P285 W287 E582	H284-N315 HydrophobicContact CB-CB 4.21Å; P285-N315 WeakPolarHBondContact CG-O 3.3Å; W287-N315 PolarHBondContact NE1-O 3.21Å; W287-N315 VanDerWaalsContact NE1-O 3.16Å; N315-E582 PolarHBondContact ND2-OE2 3.28Å
316	C	97.1	Very high	97.2	Very high	31 Å²	31	30.7 Å²	30.7	21%	0.209	16%	0.162	C	C	.	.			trans	-143.5	128	-175.6	-178.2	0	0	0	0	110.5	W287 I309 H318 F354	W287-C316 VanDerWaalsContact CD1-SG 3.58Å; I309-C316 HydrophobicContact CG2-CB 4.37Å; C316-H318 PolarHBondContact SG-N 3.16Å; C316-H318 PolarHBondContact SG-O 3.27Å; C316-F354 HydrophobicContact CB-CD1 4.01Å; C316-F354 HydrophobicContact CB-CE1 3.67Å
317	S	97.6	Very high	97.1	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.028	18%	0.176	C	C	.	.	S	Bend	trans	-71.2	-53.1	168.8	167.5	0	0	0	0	110	A280 H284 P285 R469	A280-S317 WeakPolarHBondContact O-CB 2.97Å; H284-S317 WeakPolarHBondContact O-CB 3.4Å; P285-S317 PolarHBondContact O-N 3.05Å; S317-R469 VanDerWaalsContact O-CZ 3.23Å; S317-R469 PolarHBondContact O-NH1 2.86Å; S317-R469 PolarHBondContact O-NH2 3.45Å; S317-R469 PolarHBondContact OG-NH1 3.19Å
318	H	98.4	Very high	97	Very high	3 Å²	3	35.2 Å²	35.2	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	162.3	172	61.4	-70.1	0	0	0	109.4	M281 W287 C316 L355 S357	M281-H318 PolarHBondContact SD-CE1 3.43Å; W287-H318 PolarHBondContact N-O 2.81Å; W287-H318 VanDerWaalsContact N-O 3.09Å; C316-H318 PolarHBondContact SG-N 3.16Å; C316-H318 PolarHBondContact SG-O 3.27Å; H318-L355 HydrophobicContact CB-CB 3.94Å; H318-S357 PolarHBondContact CD2-OG 3.25Å; H318-S357 PolarHBondContact NE2-OG 2.84Å
319	L	98.7	Very high	96.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	145.7	165.8	-51.2	179.6	0	0	0	109	W287 L302 F305 A306 I309 L349 F354 L355 V356 S357	W287-L319 HydrophobicContact CB-CD2 3.99Å; W287-L319 CarbonylContact O-C 3.42Å; W287-L319 WeakPolarHBondContact O-CA 3.26Å; L302-L319 HydrophobicContact CD1-CD1 4.25Å; F305-L319 HydrophobicContact CD1-CD2 4.44Å; F305-L319 HydrophobicContact CE1-CD2 4.46Å; A306-L319 HydrophobicContact CB-CD1 3.86Å; I309-L319 HydrophobicContact CD1-CD2 3.4Å; L319-L349 HydrophobicContact CD1-CD2 3.9Å; L319-F354 HydrophobicContact CD1-CB 4.02Å; L319-F354 HydrophobicContact CD1-CD1 4.35Å; L319-F354 HydrophobicContact CD1-CD2 4.43Å; L319-F354 HydrophobicContact CD1-CG 4.04Å; L319-F354 HydrophobicContact CD2-CD1 3.96Å; L319-F354 HydrophobicContact CD2-CE1 4.16Å; L319-F354 HydrophobicContact CD2-CG 4.46Å; L319-F354 HydrophobicContact CG-CB 4.2Å; L319-F354 HydrophobicContact CG-CD1 4.04Å; L319-F354 HydrophobicContact CG-CG 4.18Å; L319-L355 PolarHBondContact N-O 3.21Å; L319-V356 HydrophobicContact CB-CG2 4.45Å; L319-V356 CarbonylContact O-C 3.49Å; L319-V356 VanDerWaalsContact O-CA 3.28Å; L319-V356 WeakPolarHBondContact O-CA 3.48Å; L319-S357 PolarHBondContact O-N 2.93Å; L319-S357 PolarHBondContact O-OG 3.39Å
320	E	98.3	Very high	96.8	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.8	172.9	170.3	-176.3	109	0	0	109	I286 W287 S288 T289 S357 K430 Q558	I286-E320 HydrophobicContact CG2-CB 4.25Å; W287-E320 PolarHBondContact O-N 2.78Å; S288-E320 WeakPolarHBondContact CA-O 3.48Å; S288-E320 VanDerWaalsContact CB-OE1 3.22Å; S288-E320 WeakPolarHBondContact CB-OE1 3.4Å; S288-E320 PolarHBondContact OG-OE1 2.95Å; T289-E320 PolarHBondContact N-O 3Å; T289-E320 PolarHBondContact OG1-O 3.36Å; E320-S357 WeakPolarHBondContact CA-OG 3.5Å; E320-S357 WeakPolarHBondContact CB-OG 3.1Å; E320-K430 HydrophobicContact CG-CD 4.2Å; E320-K430 WeakPolarHBondContact OE1-CD 3.27Å; E320-K430 IonicContact OE1-NZ 2.92Å; E320-K430 PolarHBondContact OE1-NZ 2.79Å; E320-K430 WeakPolarHBondContact OE2-CD 3.33Å; E320-Q558 PolarHBondContact OE2-NE2 3.26Å
321	L	98.4	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.8	-177.5	179.2	59.4	0	0	0	111.1	I297 L302 Y325 F334 F339 V356 S357 L358 W359	I297-L321 HydrophobicContact CB-CD1 4.37Å; I297-L321 HydrophobicContact CD1-CD1 4.45Å; I297-L321 HydrophobicContact CG1-CD1 3.41Å; I297-L321 VanDerWaalsContact CG1-CD1 3.41Å; I297-L321 HydrophobicContact CG2-CD1 4Å; L302-L321 HydrophobicContact CD1-CD1 4.46Å; L302-L321 HydrophobicContact CD2-CD1 4.22Å; L302-L321 HydrophobicContact CD2-CD2 4.06Å; L321-Y325 HydrophobicContact CD2-CD1 4.38Å; L321-Y325 HydrophobicContact CD2-CG 4.05Å; L321-Y325 HydrophobicContact CG-CD1 4.13Å; L321-Y325 HydrophobicContact CG-CG 4.26Å; L321-F334 HydrophobicContact CD2-CE1 3.61Å; L321-F334 HydrophobicContact CD2-CZ 4.02Å; L321-F339 HydrophobicContact CD1-CZ 4.32Å; L321-F339 HydrophobicContact CD2-CE1 4.23Å; L321-F339 HydrophobicContact CD2-CZ 4.32Å; L321-V356 HydrophobicContact CB-CG1 4.32Å; L321-S357 PolarHBondContact N-O 2.8Å; L321-L358 HydrophobicContact CB-CD2 3.8Å; L321-L358 HydrophobicContact CD2-CD2 3.85Å; L321-L358 HydrophobicContact CG-CD2 4.23Å; L321-W359 WeakPolarHBondContact O-CB 3.31Å; L321-W359 PolarHBondContact O-N 2.87Å
322	D	94.6	Very high	96.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.124	C	C	.	.			trans	-158	130	-165.4	-157.5	-19	0	0	0	108.1	T289 W290 W359 K430	T289-D322 CarbonylContact C-O 3.6Å; T289-D322 PolarHBondContact OG1-N 2.79Å; T289-D322 PolarHBondContact OG1-O 2.86Å; W290-D322 HydrophobicContact CB-CB 4.1Å; D322-W359 HydrophobicContact CB-CB 4.01Å; D322-K430 IonicContact OD2-NZ 3.01Å; D322-K430 PolarHBondContact OD2-NZ 3.13Å
323	D	91.4	Very high	96.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.133	C	C	.	.	S	Bend	cis	-115.2	175.1	-6.7	-177.1	11.7	0	0	0	108.3	W290 K294 I297 Y325 Y329 W359 N396	W290-D323 HydrophobicContact CE3-CB 4.02Å; W290-D323 HydrophobicContact CZ3-CB 3.81Å; K294-D323 PolarHBondContact O-N 3.2Å; K294-D323 VanDerWaalsContact O-N 3.13Å; I297-D323 WeakPolarHBondContact CG2-O 3.48Å; D323-Y325 VanDerWaalsContact C-N 3.34Å; D323-Y325 PolarHBondContact O-N 3.45Å; D323-Y329 WeakPolarHBondContact OD1-CE1 3.33Å; D323-Y329 VanDerWaalsContact OD2-CE1 3.27Å; D323-Y329 WeakPolarHBondContact OD2-CE1 3.39Å; D323-Y329 PolarHBondContact OD2-OH 3Å; D323-W359 WeakPolarHBondContact OD1-CZ3 3.39Å; D323-N396 PolarHBondContact OD2-ND2 3.49Å
324	R	93.8	Very high	96.6	Very high	61 Å²	61	23.8 Å²	23.8	23%	0.23	11%	0.114	C	C	.	.			trans	59.5	38.2	171.8	-66.2	-69.7	-55.3	-152.7	-5.2	114	T295 T326 N327 Y329 K338	T295-R324 HydrophobicContact CG2-CB 4.37Å; T295-R324 HydrophobicContact CG2-CG 3.65Å; R324-T326 PolarHBondContact O-N 3.25Å; R324-N327 VanDerWaalsContact CZ-O 3.24Å; R324-N327 PolarHBondContact NH1-O 3Å; R324-N327 PolarHBondContact NH2-O 2.8Å; R324-Y329 WeakPolarHBondContact CD-OH 3.47Å; R324-Y329 HydrophobicContact CG-CE1 4.14Å; R324-Y329 WeakPolarHBondContact CG-OH 3.25Å; R324-K338 PolarHBondContact O-NZ 3.25Å
325	Y	97	Very high	96.6	Very high	6 Å²	6	24.3 Å²	24.3	2%	0.024	12%	0.118	C	C	.	.			trans	-70.4	-16.8	160.9	68.3	-91.8	0	0	0	112.2	L321 D323 F334 D335 L358 W359	L321-Y325 HydrophobicContact CD2-CD1 4.38Å; L321-Y325 HydrophobicContact CD2-CG 4.05Å; L321-Y325 HydrophobicContact CG-CD1 4.13Å; L321-Y325 HydrophobicContact CG-CG 4.26Å; D323-Y325 VanDerWaalsContact C-N 3.34Å; D323-Y325 PolarHBondContact O-N 3.45Å; Y325-F334 HydrophobicContact CD2-CD1 4.03Å; Y325-F334 HydrophobicContact CD2-CD2 4.46Å; Y325-F334 AromaticContact CD2-CE1 3.83Å; Y325-F334 HydrophobicContact CD2-CE1 3.83Å; Y325-F334 HydrophobicContact CD2-CE2 4.25Å; Y325-F334 HydrophobicContact CD2-CG 4.36Å; Y325-F334 AromaticContact CD2-CZ 3.92Å; Y325-F334 HydrophobicContact CD2-CZ 3.92Å; Y325-F334 HydrophobicContact CG-CE1 4.15Å; Y325-F334 WeakPolarHBondContact O-CA 3.5Å; Y325-D335 PolarHBondContact O-N 3.28Å; Y325-L358 HydrophobicContact CE1-CB 4.12Å; Y325-L358 HydrophobicContact CE1-CD2 4.41Å; Y325-L358 HydrophobicContact CE2-CD1 3.86Å; Y325-L358 HydrophobicContact CE2-CD2 4.46Å; Y325-W359 VanDerWaalsContact CE1-O 3.31Å; Y325-W359 WeakPolarHBondContact CE1-O 3.35Å; Y325-W359 PolarHBondContact OH-O 2.88Å
326	T	97.3	Very high	96.7	Very high	9 Å²	9	26.6 Å²	26.6	6%	0.055	13%	0.129	C	C	.	.	S	Bend	trans	-93.2	159.8	171.7	66.9	0	0	0	0	111.5	R324 R328 D333	R324-T326 PolarHBondContact O-N 3.25Å; T326-R328 WeakPolarHBondContact CB-O 3.45Å; T326-R328 PolarHBondContact OG1-O 2.82Å; T326-D333 WeakPolarHBondContact CG2-O 3.35Å
327	N	95.6	Very high	96.7	Very high	58 Å²	58	29.2 Å²	29.2	31%	0.31	15%	0.153	S	C	.	.	S	Bend	trans	-77	-29.5	178.7	164.3	62.4	0	0	0	112	R324 E331 D335	R324-N327 VanDerWaalsContact CZ-O 3.24Å; R324-N327 PolarHBondContact NH1-O 3Å; R324-N327 PolarHBondContact NH2-O 2.8Å; N327-E331 WeakPolarHBondContact CB-OE2 3.45Å; N327-E331 PolarHBondContact N-OE2 3.07Å; N327-D335 HydrophobicContact CB-CB 4Å
328	R	96.3	Very high	96.7	Very high	88 Å²	88	31.1 Å²	31.1	33%	0.332	16%	0.161	S	C	.	.	S	Bend	trans	-140.9	164.2	169	-51.1	176.9	-171.7	-81.8	-2.6	112.2	T326 E331 D367	T326-R328 WeakPolarHBondContact CB-O 3.45Å; T326-R328 PolarHBondContact OG1-O 2.82Å; R328-E331 HydrophobicContact CB-CG 4.13Å; R328-E331 WeakPolarHBondContact CB-OE1 3.22Å; R328-E331 WeakPolarHBondContact CD-OE1 3.28Å; R328-E331 WeakPolarHBondContact CG-OE1 3.36Å; R328-E331 PolarHBondContact N-OE2 3.18Å; R328-E331 IonicContact NE-OE1 2.87Å; R328-E331 WeakPolarHBondContact O-CB 3.4Å; R328-E331 PolarHBondContact O-N 3.18Å; R328-D367 WeakPolarHBondContact CD-O 3.44Å; R328-D367 WeakPolarHBondContact CD-OD2 3.29Å; R328-D367 IonicContact CZ-OD2 3.71Å; R328-D367 PolarHBondContact NE-O 3.07Å; R328-D367 IonicContact NE-OD2 3.92Å; R328-D367 IonicContact NH1-OD2 2.75Å; R328-D367 PolarHBondContact NH1-OD2 2.71Å
329	Y	97.6	Very high	96.7	Very high	19 Å²	19	31 Å²	31	8%	0.075	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	127.6	175	-65.2	-67.4	0	0	0	111	D323 R324 W359 H361 N365 S368 W394 N396	D323-Y329 WeakPolarHBondContact OD1-CE1 3.33Å; D323-Y329 VanDerWaalsContact OD2-CE1 3.27Å; D323-Y329 WeakPolarHBondContact OD2-CE1 3.39Å; D323-Y329 PolarHBondContact OD2-OH 3Å; R324-Y329 WeakPolarHBondContact CD-OH 3.47Å; R324-Y329 HydrophobicContact CG-CE1 4.14Å; R324-Y329 WeakPolarHBondContact CG-OH 3.25Å; Y329-W359 HydrophobicContact CD1-CH2 4.35Å; Y329-W359 HydrophobicContact CD1-CZ3 4.21Å; Y329-W359 HydrophobicContact CE1-CH2 4.22Å; Y329-W359 HydrophobicContact CE1-CZ3 4.16Å; Y329-H361 AromaticContact CD1-NE2 3.99Å; Y329-N365 PolarHBondContact O-N 3.08Å; Y329-S368 WeakPolarHBondContact O-CB 3.45Å; Y329-W394 AromaticContact CD1-CH2 3.82Å; Y329-W394 HydrophobicContact CD1-CH2 3.82Å; Y329-W394 HydrophobicContact CD1-CZ2 4.11Å; Y329-W394 HydrophobicContact CD2-CZ2 4.44Å; Y329-W394 HydrophobicContact CE1-CH2 4.34Å; Y329-W394 HydrophobicContact CG-CH2 4.08Å; Y329-W394 AromaticContact CG-CZ2 3.87Å; Y329-W394 HydrophobicContact CG-CZ2 3.87Å; Y329-N396 HydrophobicContact CD1-CB 4.32Å; Y329-N396 HydrophobicContact CD2-CB 4.02Å; Y329-N396 WeakPolarHBondContact CD2-O 3.49Å; Y329-N396 HydrophobicContact CE1-CB 3.96Å; Y329-N396 VanDerWaalsContact CE1-ND2 3.26Å; Y329-N396 WeakPolarHBondContact CE1-ND2 3.4Å; Y329-N396 HydrophobicContact CE2-CB 3.65Å; Y329-N396 HydrophobicContact CG-CB 4.34Å; Y329-N396 PolarHBondContact OH-ND2 2.7Å; Y329-N396 VanDerWaalsContact OH-ND2 3.13Å; Y329-N396 PolarHBondContact OH-OD1 3.02Å
330	G	96.5	Very high	96.7	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.01	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	2.7	-168.5	0	0	0	0	0	115.2	F332 F363 N370	G330-F332 WeakPolarHBondContact O-CE2 3.4Å; G330-F363 WeakPolarHBondContact CA-O 3.11Å; G330-N370 PolarHBondContact O-ND2 2.9Å
331	E	96.4	Very high	96.6	Very high	26 Å²	26	39 Å²	39	12%	0.121	21%	0.209	C	C	.	.			trans	-90.6	158.8	166.5	-64.2	174.6	-179.3	0	0	110.3	N327 R328 S368	N327-E331 WeakPolarHBondContact CB-OE2 3.45Å; N327-E331 PolarHBondContact N-OE2 3.07Å; R328-E331 HydrophobicContact CB-CG 4.13Å; R328-E331 WeakPolarHBondContact CB-OE1 3.22Å; R328-E331 WeakPolarHBondContact CD-OE1 3.28Å; R328-E331 WeakPolarHBondContact CG-OE1 3.36Å; R328-E331 PolarHBondContact N-OE2 3.18Å; R328-E331 IonicContact NE-OE1 2.87Å; R328-E331 WeakPolarHBondContact O-CB 3.4Å; R328-E331 PolarHBondContact O-N 3.18Å; E331-S368 WeakPolarHBondContact CG-OG 3.31Å
332	F	95.6	Very high	96.6	Very high	17 Å²	17	39.3 Å²	39.3	8%	0.075	21%	0.21	C	C	.	.			trans	-135.5	34	-173.1	-64.3	-89.4	0	0	0	112.3	G330 W412 F413 H416 L417 L420	G330-F332 WeakPolarHBondContact O-CE2 3.4Å; F332-W412 HydrophobicContact CD2-CH2 4.12Å; F332-W412 HydrophobicContact CD2-CZ3 4.42Å; F332-W412 AromaticContact CE2-CH2 3.59Å; F332-W412 HydrophobicContact CE2-CH2 3.59Å; F332-W412 AromaticContact CE2-CZ3 3.6Å; F332-W412 HydrophobicContact CE2-CZ3 3.6Å; F332-W412 HydrophobicContact CZ-CZ3 4.15Å; F332-F413 AromaticContact CE1-CD2 3.89Å; F332-F413 HydrophobicContact CE1-CD2 3.89Å; F332-F413 AromaticContact CE1-CE2 3.67Å; F332-F413 HydrophobicContact CE1-CE2 3.67Å; F332-F413 AromaticContact CZ-CD2 3.73Å; F332-F413 HydrophobicContact CZ-CD2 3.73Å; F332-F413 AromaticContact CZ-CE2 3.77Å; F332-F413 HydrophobicContact CZ-CE2 3.77Å; F332-H416 HydrophobicContact CB-CB 3.64Å; F332-H416 HydrophobicContact CD1-CB 3.73Å; F332-H416 HydrophobicContact CD2-CB 4.06Å; F332-H416 AromaticContact CD2-CD2 3.98Å; F332-H416 AromaticContact CD2-CG 3.85Å; F332-H416 HydrophobicContact CE1-CB 4.4Å; F332-H416 HydrophobicContact CG-CB 3.54Å; F332-H416 AromaticContact CG-CD2 3.99Å; F332-H416 AromaticContact CG-CG 3.79Å; F332-L417 HydrophobicContact CD1-CD2 4.31Å; F332-L417 HydrophobicContact CE1-CD2 4.37Å; F332-L420 HydrophobicContact CB-CD1 4.44Å; F332-L420 VanDerWaalsContact O-CD2 3.32Å; F332-L420 WeakPolarHBondContact O-CD2 3.41Å; F332-L420 WeakPolarHBondContact O-CG 3.44Å
333	D	96.3	Very high	96.8	Very high	63 Å²	63	41.8 Å²	41.8	34%	0.337	23%	0.226	S	C	.	.	S	Bend	trans	-146.4	164.9	169.5	-149.9	-15.3	0	0	0	109.7	T326 K423 Y424	T326-D333 WeakPolarHBondContact CG2-O 3.35Å; D333-K423 IonicContact OD1-NZ 2.79Å; D333-K423 PolarHBondContact OD1-NZ 3.14Å; D333-K423 IonicContact OD2-NZ 3.72Å; D333-K423 PolarHBondContact OD2-NZ 2.94Å; D333-Y424 VanDerWaalsContact OD1-CE2 3.27Å; D333-Y424 WeakPolarHBondContact OD1-CE2 3.11Å; D333-Y424 VanDerWaalsContact OD1-CZ 3.31Å; D333-Y424 PolarHBondContact OD1-OH 2.87Å
334	F	97.9	Very high	97.1	Very high	12 Å²	12	43.6 Å²	43.6	5%	0.053	24%	0.241	C	C	.	.			trans	-72.5	138.2	-174.5	-79.5	-95.9	0	0	0	112.8	L321 Y325 L336 F339 A342 M345 F346 L358 L420 Y424	L321-F334 HydrophobicContact CD2-CE1 3.61Å; L321-F334 HydrophobicContact CD2-CZ 4.02Å; Y325-F334 HydrophobicContact CD2-CD1 4.03Å; Y325-F334 HydrophobicContact CD2-CD2 4.46Å; Y325-F334 AromaticContact CD2-CE1 3.83Å; Y325-F334 HydrophobicContact CD2-CE1 3.83Å; Y325-F334 HydrophobicContact CD2-CE2 4.25Å; Y325-F334 HydrophobicContact CD2-CG 4.36Å; Y325-F334 AromaticContact CD2-CZ 3.92Å; Y325-F334 HydrophobicContact CD2-CZ 3.92Å; Y325-F334 HydrophobicContact CG-CE1 4.15Å; Y325-F334 WeakPolarHBondContact O-CA 3.5Å; F334-L336 PolarHBondContact O-N 3.28Å; F334-F339 HydrophobicContact CB-CB 4.09Å; F334-F339 HydrophobicContact CD1-CB 3.71Å; F334-F339 AromaticContact CD1-CD1 3.9Å; F334-F339 HydrophobicContact CD1-CD1 3.9Å; F334-F339 AromaticContact CD1-CD2 3.86Å; F334-F339 HydrophobicContact CD1-CD2 3.86Å; F334-F339 AromaticContact CD1-CG 3.54Å; F334-F339 HydrophobicContact CD1-CG 3.54Å; F334-F339 HydrophobicContact CE1-CD1 4.07Å; F334-F339 HydrophobicContact CE1-CE1 4.36Å; F334-F339 HydrophobicContact CE1-CG 4.17Å; F334-F339 HydrophobicContact CG-CB 4.3Å; F334-A342 HydrophobicContact CB-CB 4Å; F334-A342 HydrophobicContact CD1-CB 4.08Å; F334-A342 HydrophobicContact CD2-CB 3.92Å; F334-A342 HydrophobicContact CE2-CB 4.44Å; F334-A342 HydrophobicContact CG-CB 3.72Å; F334-M345 HydrophobicContact CE1-CE 4.12Å; F334-F346 HydrophobicContact CE1-CE2 4.17Å; F334-F346 AromaticContact CE2-CE2 3.96Å; F334-F346 HydrophobicContact CE2-CE2 3.96Å; F334-F346 HydrophobicContact CE2-CZ 4.28Å; F334-F346 AromaticContact CZ-CE2 3.45Å; F334-F346 HydrophobicContact CZ-CE2 3.45Å; F334-F346 VanDerWaalsContact CZ-CE2 3.45Å; F334-F346 AromaticContact CZ-CZ 3.8Å; F334-F346 HydrophobicContact CZ-CZ 3.8Å; F334-L358 HydrophobicContact CE2-CD1 4.22Å; F334-L358 HydrophobicContact CZ-CD1 4.26Å; F334-L358 HydrophobicContact CZ-CD2 4Å; F334-L420 HydrophobicContact CE2-CD2 4.38Å; F334-Y424 AromaticContact CD2-CD2 3.96Å; F334-Y424 HydrophobicContact CD2-CD2 3.96Å; F334-Y424 AromaticContact CD2-CE2 3.45Å; F334-Y424 HydrophobicContact CD2-CE2 3.45Å; F334-Y424 VanDerWaalsContact CD2-CE2 3.45Å; F334-Y424 AromaticContact CD2-CZ 3.76Å; F334-Y424 AromaticContact CE2-CD2 3.77Å; F334-Y424 HydrophobicContact CE2-CD2 3.77Å; F334-Y424 AromaticContact CE2-CE2 3.77Å; F334-Y424 HydrophobicContact CE2-CE2 3.77Å; F334-Y424 HydrophobicContact CE2-CG 4.36Å
335	D	97.9	Very high	97.3	Very high	24 Å²	24	40.8 Å²	40.8	13%	0.128	23%	0.231	C	C	.	.			trans	-63.3	115.5	167	179.6	1.1	0	0	0	109.9	Y325 N327 A337 K338 F339	Y325-D335 PolarHBondContact O-N 3.28Å; N327-D335 HydrophobicContact CB-CB 4Å; D335-A337 PolarHBondContact O-N 3.35Å; D335-A337 WeakPolarHBondContact OD1-CB 3.26Å; D335-A337 PolarHBondContact OD1-N 3.1Å; D335-K338 HydrophobicContact CB-CB 4.33Å; D335-K338 PolarHBondContact O-N 3.13Å; D335-K338 WeakPolarHBondContact OD2-CD 3.29Å; D335-K338 WeakPolarHBondContact OD2-CG 3.34Å; D335-F339 WeakPolarHBondContact O-CA 3.34Å; D335-F339 WeakPolarHBondContact O-CB 3.3Å; D335-F339 PolarHBondContact O-N 2.91Å
336	L	97.2	Very high	97.4	Very high	131 Å²	131	41 Å²	41	69%	0.686	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.9	179.6	-64	177.1	0	0	0	113.4	F334 P340	F334-L336 PolarHBondContact O-N 3.28Å; L336-P340 VanDerWaalsContact O-CA 3.26Å; L336-P340 WeakPolarHBondContact O-CA 3.49Å
337	A	97.7	Very high	97.4	Very high	87 Å²	87	46.3 Å²	46.3	72%	0.719	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-39	174.3	0	0	0	0	0	111.7	D335	D335-A337 PolarHBondContact O-N 3.35Å; D335-A337 WeakPolarHBondContact OD1-CB 3.26Å; D335-A337 PolarHBondContact OD1-N 3.1Å
338	K	97.9	Very high	97.5	Very high	44 Å²	44	48.4 Å²	48.4	19%	0.191	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-29.2	-179	-62.9	179.4	74.4	-158.4	0	113.3	T295 I297 D298 Q299 R324 D335	T295-K338 PolarHBondContact O-NZ 2.85Å; I297-K338 WeakPolarHBondContact O-CE 3.5Å; I297-K338 PolarHBondContact O-NZ 3.22Å; D298-K338 HydrophobicContact CB-CB 4.39Å; D298-K338 WeakPolarHBondContact CB-O 3.49Å; Q299-K338 PolarHBondContact N-O 3.15Å; R324-K338 PolarHBondContact O-NZ 3.25Å; D335-K338 HydrophobicContact CB-CB 4.33Å; D335-K338 PolarHBondContact O-N 3.13Å; D335-K338 WeakPolarHBondContact OD2-CD 3.29Å; D335-K338 WeakPolarHBondContact OD2-CG 3.34Å
339	F	98.4	Very high	97.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.247	C	C	.	.			trans	-132	63.3	-175.8	-61.3	-91.6	0	0	0	111.2	I297 D298 Q299 L321 F334 D335 N341 A342 M345	I297-F339 HydrophobicContact CG1-CZ 4.44Å; D298-F339 VanDerWaalsContact C-CE1 3.41Å; Q299-F339 HydrophobicContact CB-CD1 3.81Å; Q299-F339 HydrophobicContact CB-CE1 4.41Å; Q299-F339 HydrophobicContact CB-CG 4.43Å; L321-F339 HydrophobicContact CD1-CZ 4.32Å; L321-F339 HydrophobicContact CD2-CE1 4.23Å; L321-F339 HydrophobicContact CD2-CZ 4.32Å; F334-F339 HydrophobicContact CB-CB 4.09Å; F334-F339 HydrophobicContact CD1-CB 3.71Å; F334-F339 AromaticContact CD1-CD1 3.9Å; F334-F339 HydrophobicContact CD1-CD1 3.9Å; F334-F339 AromaticContact CD1-CD2 3.86Å; F334-F339 HydrophobicContact CD1-CD2 3.86Å; F334-F339 AromaticContact CD1-CG 3.54Å; F334-F339 HydrophobicContact CD1-CG 3.54Å; F334-F339 HydrophobicContact CE1-CD1 4.07Å; F334-F339 HydrophobicContact CE1-CE1 4.36Å; F334-F339 HydrophobicContact CE1-CG 4.17Å; F334-F339 HydrophobicContact CG-CB 4.3Å; D335-F339 WeakPolarHBondContact O-CA 3.34Å; D335-F339 WeakPolarHBondContact O-CB 3.3Å; D335-F339 PolarHBondContact O-N 2.91Å; F339-N341 PolarHBondContact O-N 3.36Å; F339-A342 HydrophobicContact CB-CB 4.42Å; F339-A342 PolarHBondContact O-N 2.88Å; F339-M345 HydrophobicContact CD1-CE 3.68Å; F339-M345 HydrophobicContact CD1-SD 3.71Å; F339-M345 HydrophobicContact CE1-CE 4.04Å; F339-M345 HydrophobicContact CE1-SD 4Å
340	P	98	Very high	97.7	Very high	89 Å²	89	51.2 Å²	51.2	58%	0.578	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.6	-171.1	25.1	-36.2	0	0	0	114.5	L336	L336-P340 VanDerWaalsContact O-CA 3.26Å; L336-P340 WeakPolarHBondContact O-CA 3.49Å
341	N	97.6	Very high	97.7	Very high	83 Å²	83	57 Å²	57	44%	0.444	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.8	67	169.6	-164.1	-20.1	0	0	0	111.7	Q299 F339 T343 A344 M345	Q299-N341 VanDerWaalsContact OE1-C 3.24Å; Q299-N341 PolarHBondContact OE1-O 2.65Å; F339-N341 PolarHBondContact O-N 3.36Å; N341-T343 PolarHBondContact O-N 3.49Å; N341-A344 HydrophobicContact CB-CB 4.19Å; N341-A344 VanDerWaalsContact CG-CB 3.42Å; N341-A344 PolarHBondContact O-N 3.32Å; N341-A344 VanDerWaalsContact O-N 3.11Å; N341-A344 WeakPolarHBondContact OD1-CB 3.37Å; N341-A344 PolarHBondContact OD1-N 2.94Å; N341-M345 PolarHBondContact O-N 2.92Å
342	A	97.8	Very high	97.7	Very high	5 Å²	5	57.2 Å²	57.2	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-50.8	-38.2	175.3	0	0	0	0	0	113	F334 F339 M345 F346 Y424	F334-A342 HydrophobicContact CB-CB 4Å; F334-A342 HydrophobicContact CD1-CB 4.08Å; F334-A342 HydrophobicContact CD2-CB 3.92Å; F334-A342 HydrophobicContact CE2-CB 4.44Å; F334-A342 HydrophobicContact CG-CB 3.72Å; F339-A342 HydrophobicContact CB-CB 4.42Å; F339-A342 PolarHBondContact O-N 2.88Å; A342-M345 WeakPolarHBondContact O-CB 3.27Å; A342-M345 PolarHBondContact O-N 3.22Å; A342-F346 VanDerWaalsContact O-CD2 3.31Å; A342-F346 WeakPolarHBondContact O-CD2 3.46Å; A342-F346 PolarHBondContact O-N 2.71Å; A342-Y424 HydrophobicContact CB-CD1 4.11Å; A342-Y424 HydrophobicContact CB-CE1 3.61Å
343	T	97.8	Very high	97.8	Very high	54 Å²	54	59.6 Å²	59.6	33%	0.331	34%	0.344	S	S	.	.	H	α-helix	trans	-60.1	-49	176.7	-54.7	0	0	0	0	112.3	N341 M345 F346 Q347	N341-T343 PolarHBondContact O-N 3.49Å; T343-M345 VanDerWaalsContact C-N 3.35Å; T343-F346 PolarHBondContact O-N 3.38Å; T343-Q347 WeakPolarHBondContact O-CB 3.32Å; T343-Q347 VanDerWaalsContact O-CG 3.27Å; T343-Q347 WeakPolarHBondContact O-CG 3.4Å; T343-Q347 PolarHBondContact O-N 3.41Å
344	A	98.2	Very high	97.9	Very high	39 Å²	39	57.2 Å²	57.2	32%	0.322	33%	0.33	S	S	.	.	H	α-helix	trans	-67.3	-35.7	177	0	0	0	0	0	112.1	N341 Q347 K348	N341-A344 HydrophobicContact CB-CB 4.19Å; N341-A344 VanDerWaalsContact CG-CB 3.42Å; N341-A344 PolarHBondContact O-N 3.32Å; N341-A344 VanDerWaalsContact O-N 3.11Å; N341-A344 WeakPolarHBondContact OD1-CB 3.37Å; N341-A344 PolarHBondContact OD1-N 2.94Å; A344-Q347 PolarHBondContact O-N 3.01Å; A344-K348 WeakPolarHBondContact O-CB 3.28Å; A344-K348 PolarHBondContact O-N 3.06Å
345	M	98.5	Very high	97.9	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-59.3	-51	174.1	-177.9	-175.7	72	0	0	111.6	Q299 L302 L303 F334 F339 N341 A342 T343 Q347 K348 L349	Q299-M345 HydrophobicContact CB-SD 3.88Å; Q299-M345 HydrophobicContact CG-CB 4.09Å; Q299-M345 HydrophobicContact CG-CG 4.08Å; Q299-M345 HydrophobicContact CG-SD 3.75Å; L302-M345 HydrophobicContact CB-SD 4.4Å; L302-M345 HydrophobicContact CD2-CE 3.83Å; L302-M345 HydrophobicContact CD2-SD 3.82Å; L303-M345 HydrophobicContact CD1-CG 4.36Å; L303-M345 HydrophobicContact CD2-CG 4.08Å; L303-M345 HydrophobicContact CG-CG 4.07Å; F334-M345 HydrophobicContact CE1-CE 4.12Å; F339-M345 HydrophobicContact CD1-CE 3.68Å; F339-M345 HydrophobicContact CD1-SD 3.71Å; F339-M345 HydrophobicContact CE1-CE 4.04Å; F339-M345 HydrophobicContact CE1-SD 4Å; N341-M345 PolarHBondContact O-N 2.92Å; A342-M345 WeakPolarHBondContact O-CB 3.27Å; A342-M345 PolarHBondContact O-N 3.22Å; T343-M345 VanDerWaalsContact C-N 3.35Å; M345-Q347 PolarHBondContact O-N 2.85Å; M345-K348 PolarHBondContact O-N 3.07Å; M345-L349 HydrophobicContact CG-CD1 4.08Å; M345-L349 WeakPolarHBondContact O-CG 3.19Å; M345-L349 PolarHBondContact O-N 2.89Å
346	F	98.6	Very high	98	Very high	11 Å²	11	59 Å²	59	5%	0.048	34%	0.34	C	S	.	.	H	α-helix	trans	-65.4	-37.8	177.9	-87.7	-107.4	0	0	0	112.4	F334 A342 T343 K348 L349 K350 V356 L358 Y424 V426	F334-F346 HydrophobicContact CE1-CE2 4.17Å; F334-F346 AromaticContact CE2-CE2 3.96Å; F334-F346 HydrophobicContact CE2-CE2 3.96Å; F334-F346 HydrophobicContact CE2-CZ 4.28Å; F334-F346 AromaticContact CZ-CE2 3.45Å; F334-F346 HydrophobicContact CZ-CE2 3.45Å; F334-F346 VanDerWaalsContact CZ-CE2 3.45Å; F334-F346 AromaticContact CZ-CZ 3.8Å; F334-F346 HydrophobicContact CZ-CZ 3.8Å; A342-F346 VanDerWaalsContact O-CD2 3.31Å; A342-F346 WeakPolarHBondContact O-CD2 3.46Å; A342-F346 PolarHBondContact O-N 2.71Å; T343-F346 PolarHBondContact O-N 3.38Å; F346-K348 VanDerWaalsContact C-N 3.35Å; F346-L349 PolarHBondContact O-N 2.81Å; F346-K350 VanDerWaalsContact O-CB 3.26Å; F346-K350 WeakPolarHBondContact O-CB 3.28Å; F346-K350 PolarHBondContact O-N 3.18Å; F346-V356 HydrophobicContact CD1-CB 4.43Å; F346-V356 HydrophobicContact CD1-CG2 4.44Å; F346-V356 HydrophobicContact CE1-CB 3.69Å; F346-V356 HydrophobicContact CE1-CG1 3.92Å; F346-V356 HydrophobicContact CE1-CG2 4.1Å; F346-V356 HydrophobicContact CZ-CB 4.11Å; F346-V356 HydrophobicContact CZ-CG1 3.82Å; F346-V356 HydrophobicContact CZ-CG2 4.49Å; F346-L358 HydrophobicContact CZ-CD2 4.26Å; F346-Y424 VanDerWaalsContact CB-O 3.31Å; F346-Y424 WeakPolarHBondContact CB-O 3.15Å; F346-Y424 WeakPolarHBondContact CD1-O 3.42Å; F346-V426 HydrophobicContact CE1-CG2 3.73Å; F346-V426 HydrophobicContact CZ-CG2 4.01Å
347	Q	98.1	Very high	98	Very high	120 Å²	120	52.8 Å²	52.8	56%	0.561	31%	0.308	S	S	*	.	H	α-helix	trans	-61.9	-41.5	172.7	-74.3	173.3	0.3	0	0	112	T343 A344 M345 T351	T343-Q347 WeakPolarHBondContact O-CB 3.32Å; T343-Q347 VanDerWaalsContact O-CG 3.27Å; T343-Q347 WeakPolarHBondContact O-CG 3.4Å; T343-Q347 PolarHBondContact O-N 3.41Å; A344-Q347 PolarHBondContact O-N 3.01Å; M345-Q347 PolarHBondContact O-N 2.85Å; Q347-T351 WeakPolarHBondContact O-CB 3.48Å; Q347-T351 PolarHBondContact O-N 3.15Å; Q347-T351 PolarHBondContact O-OG1 3.01Å
348	K	98.2	Very high	98.1	Very high	102 Å²	102	48.7 Å²	48.7	44%	0.443	27%	0.274	S	S	.	.	H	α-helix	trans	-62.8	-53	174.5	179.9	58.6	170.8	76.6	0	110.7	L303 A344 M345 F346 K350 T351 D352	L303-K348 HydrophobicContact CD2-CB 4.18Å; L303-K348 HydrophobicContact CD2-CG 3.89Å; A344-K348 WeakPolarHBondContact O-CB 3.28Å; A344-K348 PolarHBondContact O-N 3.06Å; M345-K348 PolarHBondContact O-N 3.07Å; F346-K348 VanDerWaalsContact C-N 3.35Å; K348-K350 VanDerWaalsContact C-N 3.29Å; K348-K350 PolarHBondContact O-N 2.92Å; K348-T351 WeakPolarHBondContact O-CB 3.45Å; K348-T351 PolarHBondContact O-N 3.05Å; K348-T351 VanDerWaalsContact O-N 3.15Å; K348-D352 IonicContact NZ-OD1 2.81Å; K348-D352 PolarHBondContact NZ-OD1 3.25Å; K348-D352 IonicContact NZ-OD2 2.72Å; K348-D352 PolarHBondContact NZ-OD2 3.46Å; K348-D352 WeakPolarHBondContact O-CB 3.27Å; K348-D352 PolarHBondContact O-N 3.17Å
349	L	98.6	Very high	98.1	Very high	1 Å²	1	47 Å²	47	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-56.5	-40.3	178.6	-71.1	172.1	0	0	0	112.3	L302 L303 A306 L319 M345 F346 D352 G353 F354 V356	L302-L349 HydrophobicContact CD2-CD1 3.93Å; L302-L349 HydrophobicContact CG-CD1 4.24Å; L303-L349 HydrophobicContact CD2-CD2 3.96Å; L303-L349 HydrophobicContact CD2-CG 3.96Å; A306-L349 HydrophobicContact CB-CD2 3.46Å; A306-L349 VanDerWaalsContact CB-CD2 3.46Å; L319-L349 HydrophobicContact CD1-CD2 3.9Å; M345-L349 HydrophobicContact CG-CD1 4.08Å; M345-L349 WeakPolarHBondContact O-CG 3.19Å; M345-L349 PolarHBondContact O-N 2.89Å; F346-L349 PolarHBondContact O-N 2.81Å; L349-D352 CarbonylContact O-C 3.41Å; L349-D352 WeakPolarHBondContact O-CA 3.32Å; L349-D352 WeakPolarHBondContact O-CB 3.39Å; L349-D352 PolarHBondContact O-N 3.22Å; L349-G353 PolarHBondContact O-N 3.07Å; L349-F354 HydrophobicContact CB-CB 4.37Å; L349-F354 HydrophobicContact CD2-CD2 4.28Å; L349-F354 WeakPolarHBondContact O-CA 3.5Å; L349-F354 WeakPolarHBondContact O-CB 3.42Å; L349-F354 PolarHBondContact O-N 2.89Å; L349-V356 HydrophobicContact CD1-CG2 3.77Å
350	K	97.8	Very high	98	Very high	164 Å²	164	47.1 Å²	47.1	71%	0.713	27%	0.267	S	S	*	.	H	α-helix	trans	-68.3	-42.4	175.6	-176.8	179.8	178.3	-178.6	0	113	F346 K348 D352 G353	F346-K350 VanDerWaalsContact O-CB 3.26Å; F346-K350 WeakPolarHBondContact O-CB 3.28Å; F346-K350 PolarHBondContact O-N 3.18Å; K348-K350 VanDerWaalsContact C-N 3.29Å; K348-K350 PolarHBondContact O-N 2.92Å; K350-D352 PolarHBondContact O-N 2.81Å; K350-G353 PolarHBondContact O-N 3.12Å
351	T	97.7	Very high	98	Very high	124 Å²	124	43.3 Å²	43.3	76%	0.761	24%	0.242	S	C	*	.	H	α-helix	trans	-61.2	-33	174	-55.7	0	0	0	0	111	Q347 K348 G353	Q347-T351 WeakPolarHBondContact O-CB 3.48Å; Q347-T351 PolarHBondContact O-N 3.15Å; Q347-T351 PolarHBondContact O-OG1 3.01Å; K348-T351 WeakPolarHBondContact O-CB 3.45Å; K348-T351 PolarHBondContact O-N 3.05Å; K348-T351 VanDerWaalsContact O-N 3.15Å; T351-G353 PolarHBondContact O-N 2.89Å
352	D	97.1	Very high	98	Very high	29 Å²	29	39.4 Å²	39.4	16%	0.155	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.5	174	-94.1	-5.6	0	0	0	114.6	R310 K348 L349 K350 F354	R310-D352 IonicContact CZ-OD1 2.81Å; R310-D352 PolarHBondContact NE-O 3.04Å; R310-D352 VanDerWaalsContact NH1-CG 3.29Å; R310-D352 IonicContact NH1-OD1 2.73Å; R310-D352 PolarHBondContact NH1-OD1 2.87Å; R310-D352 IonicContact NH1-OD2 2.91Å; R310-D352 PolarHBondContact NH2-O 2.94Å; R310-D352 IonicContact NH2-OD1 3.32Å; R310-D352 IonicContact NH2-OD2 3.67Å; R310-D352 PolarHBondContact NH2-OD2 3.36Å; K348-D352 IonicContact NZ-OD1 2.81Å; K348-D352 PolarHBondContact NZ-OD1 3.25Å; K348-D352 IonicContact NZ-OD2 2.72Å; K348-D352 PolarHBondContact NZ-OD2 3.46Å; K348-D352 WeakPolarHBondContact O-CB 3.27Å; K348-D352 PolarHBondContact O-N 3.17Å; L349-D352 CarbonylContact O-C 3.41Å; L349-D352 WeakPolarHBondContact O-CA 3.32Å; L349-D352 WeakPolarHBondContact O-CB 3.39Å; L349-D352 PolarHBondContact O-N 3.22Å; K350-D352 PolarHBondContact O-N 2.81Å; D352-F354 VanDerWaalsContact C-N 3.33Å; D352-F354 HydrophobicContact CB-CD2 4.08Å
353	G	96.9	Very high	98.1	Very high	67 Å²	67	39.1 Å²	39.1	69%	0.691	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	6.7	-179.5	0	0	0	0	0	115.1	L349 K350 T351	L349-G353 PolarHBondContact O-N 3.07Å; K350-G353 PolarHBondContact O-N 3.12Å; T351-G353 PolarHBondContact O-N 2.89Å
354	F	98.3	Very high	98.1	Very high	13 Å²	13	36.6 Å²	36.6	6%	0.057	20%	0.203	C	C	.	.			trans	-87.5	138	174.5	-68.7	-64	0	0	0	112	A306 I309 R310 C316 L319 L349 D352	A306-F354 HydrophobicContact CB-CD2 3.73Å; A306-F354 HydrophobicContact CB-CE2 3.55Å; A306-F354 HydrophobicContact CB-CZ 4.32Å; A306-F354 WeakPolarHBondContact O-CE2 3.36Å; A306-F354 WeakPolarHBondContact O-CZ 3.47Å; I309-F354 HydrophobicContact CB-CE1 4.41Å; I309-F354 HydrophobicContact CB-CZ 4.04Å; I309-F354 HydrophobicContact CD1-CE1 4.44Å; I309-F354 HydrophobicContact CG2-CE1 4.02Å; I309-F354 HydrophobicContact CG2-CZ 4.03Å; R310-F354 HydrophobicContact CG-CE2 4.32Å; R310-F354 HydrophobicContact CG-CZ 4.07Å; C316-F354 HydrophobicContact CB-CD1 4.01Å; C316-F354 HydrophobicContact CB-CE1 3.67Å; L319-F354 HydrophobicContact CD1-CB 4.02Å; L319-F354 HydrophobicContact CD1-CD1 4.35Å; L319-F354 HydrophobicContact CD1-CD2 4.43Å; L319-F354 HydrophobicContact CD1-CG 4.04Å; L319-F354 HydrophobicContact CD2-CD1 3.96Å; L319-F354 HydrophobicContact CD2-CE1 4.16Å; L319-F354 HydrophobicContact CD2-CG 4.46Å; L319-F354 HydrophobicContact CG-CB 4.2Å; L319-F354 HydrophobicContact CG-CD1 4.04Å; L319-F354 HydrophobicContact CG-CG 4.18Å; L349-F354 HydrophobicContact CB-CB 4.37Å; L349-F354 HydrophobicContact CD2-CD2 4.28Å; L349-F354 WeakPolarHBondContact O-CA 3.5Å; L349-F354 WeakPolarHBondContact O-CB 3.42Å; L349-F354 PolarHBondContact O-N 2.89Å; D352-F354 VanDerWaalsContact C-N 3.33Å; D352-F354 HydrophobicContact CB-CD2 4.08Å
355	L	98.2	Very high	98.1	Very high	69 Å²	69	35.1 Å²	35.1	36%	0.361	19%	0.19	S	C	.	.			trans	-97.6	154.2	161.6	-63.1	176.8	0	0	0	108.9	H318 L319	H318-L355 HydrophobicContact CB-CB 3.94Å; L319-L355 PolarHBondContact N-O 3.21Å
356	V	98.6	Very high	98	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.03	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.4	179.4	-177.4	0	0	0	0	109.4	L319 L321 F346 L349 L358 S427	L319-V356 HydrophobicContact CB-CG2 4.45Å; L319-V356 CarbonylContact O-C 3.49Å; L319-V356 VanDerWaalsContact O-CA 3.28Å; L319-V356 WeakPolarHBondContact O-CA 3.48Å; L321-V356 HydrophobicContact CB-CG1 4.32Å; F346-V356 HydrophobicContact CD1-CB 4.43Å; F346-V356 HydrophobicContact CD1-CG2 4.44Å; F346-V356 HydrophobicContact CE1-CB 3.69Å; F346-V356 HydrophobicContact CE1-CG1 3.92Å; F346-V356 HydrophobicContact CE1-CG2 4.1Å; F346-V356 HydrophobicContact CZ-CB 4.11Å; F346-V356 HydrophobicContact CZ-CG1 3.82Å; F346-V356 HydrophobicContact CZ-CG2 4.49Å; L349-V356 HydrophobicContact CD1-CG2 3.77Å; V356-L358 HydrophobicContact CG1-CD2 4.14Å; V356-S427 VanDerWaalsContact C-OG 3.31Å; V356-S427 WeakPolarHBondContact O-CB 3.28Å; V356-S427 PolarHBondContact O-N 3.38Å; V356-S427 PolarHBondContact O-OG 3.31Å
357	S	98.3	Very high	97.9	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.007	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	156	159.9	65.3	0	0	0	0	109.8	H318 L319 E320 L321 S428	H318-S357 PolarHBondContact CD2-OG 3.25Å; H318-S357 PolarHBondContact NE2-OG 2.84Å; L319-S357 PolarHBondContact O-N 2.93Å; L319-S357 PolarHBondContact O-OG 3.39Å; E320-S357 WeakPolarHBondContact CA-OG 3.5Å; E320-S357 WeakPolarHBondContact CB-OG 3.1Å; L321-S357 PolarHBondContact N-O 2.8Å; S357-S428 WeakPolarHBondContact CA-O 3.44Å; S357-S428 WeakPolarHBondContact CB-O 3.49Å
358	L	98.6	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.1	176.2	-61.3	-176.9	0	0	0	110.6	L321 Y325 F334 F346 V356 L420 V426 S428 F429 K430	L321-L358 HydrophobicContact CB-CD2 3.8Å; L321-L358 HydrophobicContact CD2-CD2 3.85Å; L321-L358 HydrophobicContact CG-CD2 4.23Å; Y325-L358 HydrophobicContact CE1-CB 4.12Å; Y325-L358 HydrophobicContact CE1-CD2 4.41Å; Y325-L358 HydrophobicContact CE2-CD1 3.86Å; Y325-L358 HydrophobicContact CE2-CD2 4.46Å; F334-L358 HydrophobicContact CE2-CD1 4.22Å; F334-L358 HydrophobicContact CZ-CD1 4.26Å; F334-L358 HydrophobicContact CZ-CD2 4Å; F346-L358 HydrophobicContact CZ-CD2 4.26Å; V356-L358 HydrophobicContact CG1-CD2 4.14Å; L358-L420 HydrophobicContact CD1-CB 4.48Å; L358-L420 HydrophobicContact CD1-CD1 4.1Å; L358-L420 HydrophobicContact CD1-CD2 4.11Å; L358-L420 HydrophobicContact CD1-CG 4.48Å; L358-V426 HydrophobicContact CB-CG1 4.48Å; L358-V426 HydrophobicContact CD1-CG1 4.17Å; L358-V426 HydrophobicContact CD1-CG2 3.57Å; L358-V426 HydrophobicContact CG-CG1 3.88Å; L358-V426 HydrophobicContact CG-CG2 3.94Å; L358-S428 PolarHBondContact N-O 3.31Å; L358-F429 HydrophobicContact CB-CD1 3.97Å; L358-F429 HydrophobicContact CB-CE1 4.14Å; L358-F429 HydrophobicContact CD1-CE1 4.41Å; L358-F429 CarbonylContact O-C 3.56Å; L358-F429 WeakPolarHBondContact O-CA 3.34Å; L358-K430 PolarHBondContact O-N 2.93Å
359	W	98.1	Very high	97.7	Very high	9 Å²	9	41.6 Å²	41.6	3%	0.034	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	142.1	166.3	-179.5	92.5	0	0	0	111.2	L321 D322 D323 Y325 Y329 H361 W394 W395 D432	L321-W359 WeakPolarHBondContact O-CB 3.31Å; L321-W359 PolarHBondContact O-N 2.87Å; D322-W359 HydrophobicContact CB-CB 4.01Å; D323-W359 WeakPolarHBondContact OD1-CZ3 3.39Å; Y325-W359 VanDerWaalsContact CE1-O 3.31Å; Y325-W359 WeakPolarHBondContact CE1-O 3.35Å; Y325-W359 PolarHBondContact OH-O 2.88Å; Y329-W359 HydrophobicContact CD1-CH2 4.35Å; Y329-W359 HydrophobicContact CD1-CZ3 4.21Å; Y329-W359 HydrophobicContact CE1-CH2 4.22Å; Y329-W359 HydrophobicContact CE1-CZ3 4.16Å; W359-H361 AromaticContact CE3-CD2 4Å; W359-H361 HydrophobicContact CH2-CB 4.02Å; W359-H361 AromaticContact CH2-CD2 3.32Å; W359-H361 WeakPolarHBondContact CH2-CD2 3.41Å; W359-H361 AromaticContact CH2-CG 3.74Å; W359-H361 HydrophobicContact CZ2-CB 4.08Å; W359-H361 AromaticContact CZ3-CD2 3.2Å; W359-H361 WeakPolarHBondContact CZ3-CD2 3.24Å; W359-H361 AromaticContact CZ3-NE2 3.84Å; W359-W394 AromaticContact CH2-CH2 3.86Å; W359-W394 HydrophobicContact CH2-CH2 3.86Å; W359-W394 AromaticContact CH2-CZ3 3.88Å; W359-W394 HydrophobicContact CH2-CZ3 3.88Å; W359-W394 HydrophobicContact CZ2-CZ3 4.25Å; W359-W395 HydrophobicContact CZ2-CZ2 4.13Å; W359-D432 HydrophobicContact CZ2-CB 4.33Å; W359-D432 PolarHBondContact NE1-OD2 2.83Å
360	T	97.6	Very high	97.6	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	157.8	176.6	-163.6	0	0	0	0	111.2	F413 L417 F429 K430 L431 D432	T360-F413 HydrophobicContact CG2-CZ 4.1Å; T360-L417 HydrophobicContact CG2-CD2 4.37Å; T360-F429 HydrophobicContact CG2-CB 4.15Å; T360-F429 HydrophobicContact CG2-CD1 4.46Å; T360-K430 PolarHBondContact N-O 3.45Å; T360-L431 HydrophobicContact CG2-CG 3.97Å; T360-D432 PolarHBondContact O-N 2.74Å
361	H	97.7	Very high	97.6	Very high	9 Å²	9	37 Å²	37	4%	0.042	20%	0.2	C	C	.	.			trans	-147.8	161.6	-169.1	64.4	99.1	0	0	0	110.5	Y329 W359 F363 W394	Y329-H361 AromaticContact CD1-NE2 3.99Å; W359-H361 AromaticContact CE3-CD2 4Å; W359-H361 HydrophobicContact CH2-CB 4.02Å; W359-H361 AromaticContact CH2-CD2 3.32Å; W359-H361 WeakPolarHBondContact CH2-CD2 3.41Å; W359-H361 AromaticContact CH2-CG 3.74Å; W359-H361 HydrophobicContact CZ2-CB 4.08Å; W359-H361 AromaticContact CZ3-CD2 3.2Å; W359-H361 WeakPolarHBondContact CZ3-CD2 3.24Å; W359-H361 AromaticContact CZ3-NE2 3.84Å; H361-F363 VanDerWaalsContact C-N 3.29Å; H361-F363 HydrophobicContact CB-CD2 4.24Å; H361-F363 PolarHBondContact CE1-O 3Å; H361-F363 WeakPolarHBondContact ND1-CB 3.41Å; H361-F363 AromaticContact ND1-CD2 3.57Å; H361-F363 AromaticContact ND1-CG 3.99Å; H361-F363 PolarHBondContact ND1-N 3.37Å; H361-F363 PolarHBondContact ND1-O 3.06Å; H361-F363 PolarHBondContact O-N 2.89Å; H361-W394 HydrophobicContact CB-CH2 4.49Å; H361-W394 HydrophobicContact CB-CZ3 4.24Å; H361-W394 AromaticContact CD2-CH2 4Å; H361-W394 AromaticContact CE1-CH2 3.28Å; H361-W394 WeakPolarHBondContact CE1-CH2 3.28Å; H361-W394 AromaticContact CE1-CZ2 3.53Å; H361-W394 AromaticContact CG-CH2 3.68Å; H361-W394 AromaticContact CG-CZ3 3.92Å; H361-W394 AromaticContact ND1-CH2 3.2Å; H361-W394 WeakPolarHBondContact ND1-CH2 3.47Å; H361-W394 AromaticContact ND1-CZ2 3.67Å; H361-W394 AromaticContact ND1-CZ3 3.68Å; H361-W394 AromaticContact NE2-CH2 3.78Å
362	P	97.9	Very high	97.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-83	6	-174.6	32.9	-36.8	0	0	0	115.2	I401 L402 F404 D432 A433 Y459	P362-I401 HydrophobicContact CB-CG1 4.12Å; P362-I401 HydrophobicContact CG-CD1 4.39Å; P362-I401 HydrophobicContact CG-CG1 4.36Å; P362-L402 PolarHBondContact O-N 3.07Å; P362-F404 HydrophobicContact CB-CE2 3.56Å; P362-F404 HydrophobicContact CB-CZ 3.98Å; P362-D432 WeakPolarHBondContact CD-O 3.19Å; P362-A433 HydrophobicContact CG-CB 4.14Å; P362-Y459 HydrophobicContact CB-CD2 4.07Å; P362-Y459 HydrophobicContact CB-CE2 3.86Å; P362-Y459 HydrophobicContact CG-CE2 4.34Å
363	F	98.4	Very high	97.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	151.3	-170.6	-48.8	-77.4	0	0	0	112.5	G330 H361 V392 W394 G400 I401 A433 Y438	G330-F363 WeakPolarHBondContact CA-O 3.11Å; H361-F363 VanDerWaalsContact C-N 3.29Å; H361-F363 HydrophobicContact CB-CD2 4.24Å; H361-F363 PolarHBondContact CE1-O 3Å; H361-F363 WeakPolarHBondContact ND1-CB 3.41Å; H361-F363 AromaticContact ND1-CD2 3.57Å; H361-F363 AromaticContact ND1-CG 3.99Å; H361-F363 PolarHBondContact ND1-N 3.37Å; H361-F363 PolarHBondContact ND1-O 3.06Å; H361-F363 PolarHBondContact O-N 2.89Å; F363-V392 HydrophobicContact CD1-CG2 3.94Å; F363-V392 HydrophobicContact CE1-CG2 4Å; F363-W394 HydrophobicContact CB-CD2 4.23Å; F363-W394 HydrophobicContact CB-CZ2 4.1Å; F363-W394 HydrophobicContact CD1-CB 4.49Å; F363-W394 HydrophobicContact CD1-CG 4.22Å; F363-W394 HydrophobicContact CD2-CB 4.28Å; F363-W394 AromaticContact CD2-CD2 3.32Å; F363-W394 HydrophobicContact CD2-CD2 3.32Å; F363-W394 AromaticContact CD2-CE2 3.81Å; F363-W394 AromaticContact CD2-CE3 3.3Å; F363-W394 HydrophobicContact CD2-CE3 3.3Å; F363-W394 AromaticContact CD2-CG 3.77Å; F363-W394 HydrophobicContact CD2-CG 3.77Å; F363-W394 HydrophobicContact CD2-CH2 4.2Å; F363-W394 HydrophobicContact CD2-CZ2 4.24Å; F363-W394 AromaticContact CD2-CZ3 3.75Å; F363-W394 HydrophobicContact CD2-CZ3 3.75Å; F363-W394 HydrophobicContact CE1-CB 4.16Å; F363-W394 HydrophobicContact CE1-CG 4.36Å; F363-W394 HydrophobicContact CE2-CB 3.94Å; F363-W394 AromaticContact CE2-CD2 3.74Å; F363-W394 HydrophobicContact CE2-CD2 3.74Å; F363-W394 AromaticContact CE2-CE3 3.52Å; F363-W394 HydrophobicContact CE2-CE3 3.52Å; F363-W394 AromaticContact CE2-CG 3.94Å; F363-W394 HydrophobicContact CE2-CG 3.94Å; F363-W394 HydrophobicContact CE2-CZ3 4.24Å; F363-W394 AromaticContact CG-CD2 3.8Å; F363-W394 HydrophobicContact CG-CD2 3.8Å; F363-W394 AromaticContact CG-CE2 3.95Å; F363-W394 HydrophobicContact CG-CE3 4.23Å; F363-W394 AromaticContact CG-CG 3.93Å; F363-W394 HydrophobicContact CG-CG 3.93Å; F363-W394 HydrophobicContact CZ-CB 3.88Å; F363-W394 HydrophobicContact CZ-CG 4.24Å; F363-G400 CarbonylContact C-O 3.48Å; F363-G400 WeakPolarHBondContact CA-O 3.49Å; F363-I401 HydrophobicContact CD1-CB 3.95Å; F363-I401 HydrophobicContact CD1-CD1 4.26Å; F363-I401 HydrophobicContact CD1-CG1 3.91Å; F363-I401 HydrophobicContact CE1-CB 4.13Å; F363-I401 HydrophobicContact CE1-CD1 3.68Å; F363-I401 HydrophobicContact CE1-CG1 3.86Å; F363-I401 HydrophobicContact CZ-CD1 4.36Å; F363-A433 HydrophobicContact CE2-CB 3.68Å; F363-A433 HydrophobicContact CZ-CB 4.13Å; F363-Y438 HydrophobicContact CE1-CD1 4.21Å; F363-Y438 HydrophobicContact CE1-CG 4.04Å; F363-Y438 AromaticContact CZ-CD1 3.78Å; F363-Y438 HydrophobicContact CZ-CD1 3.78Å; F363-Y438 AromaticContact CZ-CD2 3.87Å; F363-Y438 HydrophobicContact CZ-CD2 3.87Å; F363-Y438 HydrophobicContact CZ-CE1 4.33Å; F363-Y438 HydrophobicContact CZ-CE2 4.38Å; F363-Y438 AromaticContact CZ-CG 3.56Å; F363-Y438 HydrophobicContact CZ-CG 3.56Å
364	V	98.6	Very high	97.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	114.3	167.1	-179.1	0	0	0	0	107.9	N370 F371 F380 G399 G400 L402 W412	V364-N370 HydrophobicContact CG1-CB 4.06Å; V364-F371 HydrophobicContact CG1-CB 4.08Å; V364-F371 HydrophobicContact CG1-CD2 4.28Å; V364-F371 WeakPolarHBondContact O-CD2 3.31Å; V364-F380 HydrophobicContact CB-CE1 3.77Å; V364-F380 HydrophobicContact CB-CZ 3.73Å; V364-F380 HydrophobicContact CG1-CZ 4.17Å; V364-F380 HydrophobicContact CG2-CE1 3.93Å; V364-F380 HydrophobicContact CG2-CZ 4.26Å; V364-G399 CarbonylContact O-C 3.58Å; V364-G399 WeakPolarHBondContact O-CA 3.38Å; V364-G400 PolarHBondContact N-O 2.96Å; V364-G400 PolarHBondContact O-N 2.93Å; V364-L402 HydrophobicContact CG2-CD2 4.5Å; V364-W412 HydrophobicContact CG2-CH2 4.48Å
365	N	98.1	Very high	97.6	Very high	9 Å²	9	36.9 Å²	36.9	5%	0.048	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	153.6	-178.4	-78.8	9.9	0	0	0	111.1	Y329 D367 S368 F371 W394 N396 I398	Y329-N365 PolarHBondContact O-N 3.08Å; N365-D367 VanDerWaalsContact CB-OD1 3.24Å; N365-D367 WeakPolarHBondContact CB-OD1 3.24Å; N365-D367 PolarHBondContact O-N 2.95Å; N365-D367 VanDerWaalsContact O-N 3.11Å; N365-S368 VanDerWaalsContact O-CB 3.25Å; N365-S368 WeakPolarHBondContact O-CB 3.44Å; N365-S368 PolarHBondContact O-N 3.1Å; N365-F371 WeakPolarHBondContact O-CB 3.49Å; N365-W394 PolarHBondContact OD1-NE1 2.97Å; N365-N396 PolarHBondContact ND2-O 3.34Å; N365-I398 WeakPolarHBondContact CA-O 3.11Å
366	Y	96.4	Very high	97.5	Very high	151 Å²	151	40 Å²	40	59%	0.592	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.2	-176.7	67.9	-100.4	0	0	0	114	I398	Y366-I398 HydrophobicContact CD1-CB 4.17Å; Y366-I398 HydrophobicContact CD1-CG2 4.47Å; Y366-I398 VanDerWaalsContact CD1-O 3.24Å; Y366-I398 WeakPolarHBondContact CD1-O 3.37Å; Y366-I398 HydrophobicContact CE1-CB 4.24Å; Y366-I398 PolarHBondContact N-O 2.88Å
367	D	95.8	Very high	97.5	Very high	58 Å²	58	45.1 Å²	45.1	31%	0.31	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-10.5	178.2	73.4	-49.6	0	0	0	113.3	R328 N365	R328-D367 WeakPolarHBondContact CD-O 3.44Å; R328-D367 WeakPolarHBondContact CD-OD2 3.29Å; R328-D367 IonicContact CZ-OD2 3.71Å; R328-D367 PolarHBondContact NE-O 3.07Å; R328-D367 IonicContact NE-OD2 3.92Å; R328-D367 IonicContact NH1-OD2 2.75Å; R328-D367 PolarHBondContact NH1-OD2 2.71Å; N365-D367 VanDerWaalsContact CB-OD1 3.24Å; N365-D367 WeakPolarHBondContact CB-OD1 3.24Å; N365-D367 PolarHBondContact O-N 2.95Å; N365-D367 VanDerWaalsContact O-N 3.11Å
368	S	97.1	Very high	97.4	Very high	5 Å²	5	45.8 Å²	45.8	4%	0.035	22%	0.218	C	C	.	.	S	Bend	trans	-66.3	138.6	176	-178.7	0	0	0	0	112.1	Y329 E331 N365 N370 F371	Y329-S368 WeakPolarHBondContact O-CB 3.45Å; E331-S368 WeakPolarHBondContact CG-OG 3.31Å; N365-S368 VanDerWaalsContact O-CB 3.25Å; N365-S368 WeakPolarHBondContact O-CB 3.44Å; N365-S368 PolarHBondContact O-N 3.1Å; S368-N370 PolarHBondContact O-N 2.93Å; S368-N370 VanDerWaalsContact O-N 3.17Å; S368-N370 PolarHBondContact OG-N 3.38Å; S368-F371 VanDerWaalsContact O-CB 3.25Å; S368-F371 WeakPolarHBondContact O-CB 3.5Å; S368-F371 PolarHBondContact O-N 3.45Å
369	E	95.3	Very high	97.4	Very high	156 Å²	156	45.8 Å²	45.8	73%	0.729	22%	0.218	S	C	*	.	H	α-helix	trans	-57.6	-30.6	173.5	-61.6	-173.5	173.1	0	0	112.3	F371	E369-F371 VanDerWaalsContact C-N 3.29Å; E369-F371 PolarHBondContact O-N 3Å
370	N	97.8	Very high	97.5	Very high	33 Å²	33	45.4 Å²	45.4	18%	0.176	22%	0.216	C	C	.	.	H	α-helix	trans	-72.3	-17.2	177.1	-77.8	-36.2	0	0	0	114.1	G330 V364 S368 H372 T373 C374 W412	G330-N370 PolarHBondContact O-ND2 2.9Å; V364-N370 HydrophobicContact CG1-CB 4.06Å; S368-N370 PolarHBondContact O-N 2.93Å; S368-N370 VanDerWaalsContact O-N 3.17Å; S368-N370 PolarHBondContact OG-N 3.38Å; N370-H372 PolarHBondContact O-N 3.28Å; N370-T373 PolarHBondContact O-N 3.04Å; N370-C374 WeakPolarHBondContact O-CB 3.43Å; N370-C374 PolarHBondContact O-N 3.35Å; N370-C374 PolarHBondContact O-SG 3.1Å; N370-W412 HydrophobicContact CB-CH2 4.05Å; N370-W412 HydrophobicContact CB-CZ2 4.04Å
371	F	98	Very high	97.5	Very high	35 Å²	35	45.3 Å²	45.3	15%	0.154	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-48.3	-173.1	-172.6	-95.6	0	0	0	111.5	V364 N365 S368 E369 T373 C374 V375 F380 L391	V364-F371 HydrophobicContact CG1-CB 4.08Å; V364-F371 HydrophobicContact CG1-CD2 4.28Å; V364-F371 WeakPolarHBondContact O-CD2 3.31Å; N365-F371 WeakPolarHBondContact O-CB 3.49Å; S368-F371 VanDerWaalsContact O-CB 3.25Å; S368-F371 WeakPolarHBondContact O-CB 3.5Å; S368-F371 PolarHBondContact O-N 3.45Å; E369-F371 VanDerWaalsContact C-N 3.29Å; E369-F371 PolarHBondContact O-N 3Å; F371-T373 PolarHBondContact O-N 2.93Å; F371-C374 PolarHBondContact O-N 3.29Å; F371-V375 HydrophobicContact CD1-CG2 4.07Å; F371-V375 HydrophobicContact CE1-CG2 3.66Å; F371-V375 HydrophobicContact CZ-CG2 4.01Å; F371-V375 WeakPolarHBondContact O-CG2 3.37Å; F371-V375 PolarHBondContact O-N 3.49Å; F371-F380 AromaticContact CD2-CE2 3.72Å; F371-F380 HydrophobicContact CD2-CE2 3.72Å; F371-F380 AromaticContact CD2-CZ 3.72Å; F371-F380 HydrophobicContact CD2-CZ 3.72Å; F371-F380 HydrophobicContact CE2-CD2 4.44Å; F371-F380 AromaticContact CE2-CE2 3.57Å; F371-F380 HydrophobicContact CE2-CE2 3.57Å; F371-F380 AromaticContact CE2-CZ 3.91Å; F371-F380 HydrophobicContact CE2-CZ 3.91Å; F371-F380 HydrophobicContact CG-CE2 4.38Å; F371-F380 HydrophobicContact CZ-CE2 4.13Å; F371-L391 HydrophobicContact CE2-CD2 4.19Å; F371-L391 HydrophobicContact CZ-CD2 3.81Å
372	H	96.6	Very high	97.4	Very high	122 Å²	122	48.8 Å²	48.8	57%	0.565	23%	0.228	S	C	*	.	H	α-helix	trans	-57.9	-49.8	178.4	-170.8	-91.3	0	0	0	111.7	N370 C374 V375 E376	N370-H372 PolarHBondContact O-N 3.28Å; H372-C374 VanDerWaalsContact C-N 3.29Å; H372-C374 PolarHBondContact O-N 3.12Å; H372-V375 WeakPolarHBondContact O-CB 3.42Å; H372-V375 PolarHBondContact O-N 3.18Å; H372-E376 IonicContact CE1-OE1 3.73Å; H372-E376 PolarHBondContact CE1-OE1 3.32Å; H372-E376 VanDerWaalsContact CE1-OE1 3.23Å; H372-E376 IonicContact CE1-OE2 3.23Å; H372-E376 PolarHBondContact CE1-OE2 2.74Å; H372-E376 IonicContact ND1-OE1 3.83Å; H372-E376 IonicContact ND1-OE2 3.68Å; H372-E376 PolarHBondContact ND1-OE2 2.81Å; H372-E376 WeakPolarHBondContact O-CG 3.38Å; H372-E376 PolarHBondContact O-N 3.2Å
373	T	96.9	Very high	97.2	Very high	51 Å²	51	50.9 Å²	50.9	31%	0.313	24%	0.238	S	C	.	.	H	α-helix	trans	-60.3	-37.3	178.4	-60.2	0	0	0	0	112.5	N370 F371 R377	N370-T373 PolarHBondContact O-N 3.04Å; F371-T373 PolarHBondContact O-N 2.93Å; T373-R377 WeakPolarHBondContact O-CB 3.47Å; T373-R377 WeakPolarHBondContact O-CG 3.49Å; T373-R377 PolarHBondContact O-N 3.35Å; T373-R377 VanDerWaalsContact O-N 3.09Å
374	C	98.1	Very high	96.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.6	-32.9	175.2	-67.4	0	0	0	0	112.8	N370 F371 H372 G378 L379 F380	N370-C374 WeakPolarHBondContact O-CB 3.43Å; N370-C374 PolarHBondContact O-N 3.35Å; N370-C374 PolarHBondContact O-SG 3.1Å; F371-C374 PolarHBondContact O-N 3.29Å; H372-C374 VanDerWaalsContact C-N 3.29Å; H372-C374 PolarHBondContact O-N 3.12Å; C374-G378 WeakPolarHBondContact O-CA 3.35Å; C374-G378 PolarHBondContact O-N 2.94Å; C374-L379 HydrophobicContact CB-CB 4.35Å; C374-L379 PolarHBondContact O-N 2.88Å; C374-F380 HydrophobicContact CB-CD1 4.29Å; C374-F380 HydrophobicContact CB-CD2 4.07Å; C374-F380 HydrophobicContact CB-CE1 3.66Å; C374-F380 HydrophobicContact CB-CE2 3.41Å; C374-F380 VanDerWaalsContact CB-CE2 3.41Å; C374-F380 HydrophobicContact CB-CG 4.48Å; C374-F380 HydrophobicContact CB-CZ 3.17Å
375	V	97.5	Very high	96.4	Very high	58 Å²	58	58.7 Å²	58.7	35%	0.352	29%	0.287	S	S	.	.	H	α-helix	trans	-69.3	-50.8	172.5	175.2	0	0	0	0	111.3	F371 H372 R377 G378 F380 P389	F371-V375 HydrophobicContact CD1-CG2 4.07Å; F371-V375 HydrophobicContact CE1-CG2 3.66Å; F371-V375 HydrophobicContact CZ-CG2 4.01Å; F371-V375 WeakPolarHBondContact O-CG2 3.37Å; F371-V375 PolarHBondContact O-N 3.49Å; H372-V375 WeakPolarHBondContact O-CB 3.42Å; H372-V375 PolarHBondContact O-N 3.18Å; V375-R377 VanDerWaalsContact C-N 3.31Å; V375-R377 PolarHBondContact O-N 2.95Å; V375-G378 WeakPolarHBondContact O-CA 3.23Å; V375-G378 PolarHBondContact O-N 2.77Å; V375-F380 HydrophobicContact CG2-CD2 4.06Å; V375-F380 HydrophobicContact CG2-CE2 3.85Å; V375-P389 HydrophobicContact CG1-CG 4.48Å; V375-P389 HydrophobicContact CG2-CG 4.05Å
376	E	96.9	Very high	96	Very high	136 Å²	136	59.1 Å²	59.1	64%	0.636	29%	0.294	S	S	*	.	H	α-helix	trans	-57.6	-43	-179.7	-72.3	179.5	117.6	0	0	112.3	H372 G378	H372-E376 IonicContact CE1-OE1 3.73Å; H372-E376 PolarHBondContact CE1-OE1 3.32Å; H372-E376 VanDerWaalsContact CE1-OE1 3.23Å; H372-E376 IonicContact CE1-OE2 3.23Å; H372-E376 PolarHBondContact CE1-OE2 2.74Å; H372-E376 IonicContact ND1-OE1 3.83Å; H372-E376 IonicContact ND1-OE2 3.68Å; H372-E376 PolarHBondContact ND1-OE2 2.81Å; H372-E376 WeakPolarHBondContact O-CG 3.38Å; H372-E376 PolarHBondContact O-N 3.2Å; E376-G378 VanDerWaalsContact C-N 3.27Å
377	R	97.6	Very high	95.6	Very high	112 Å²	112	61.8 Å²	61.8	42%	0.423	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.4	177.1	-63.4	175.2	64	169.9	-0.7	113	T373 V375 L379 E408	T373-R377 WeakPolarHBondContact O-CB 3.47Å; T373-R377 WeakPolarHBondContact O-CG 3.49Å; T373-R377 PolarHBondContact O-N 3.35Å; T373-R377 VanDerWaalsContact O-N 3.09Å; V375-R377 VanDerWaalsContact C-N 3.31Å; V375-R377 PolarHBondContact O-N 2.95Å; R377-L379 VanDerWaalsContact C-N 3.34Å; R377-L379 HydrophobicContact CB-CD1 4.2Å; R377-L379 HydrophobicContact CB-CD2 3.9Å; R377-L379 HydrophobicContact CB-CG 3.75Å; R377-L379 PolarHBondContact O-N 3.24Å; R377-E408 IonicContact CZ-OE1 2.85Å; R377-E408 IonicContact NE-OE1 3.06Å; R377-E408 PolarHBondContact NE-OE1 3.4Å; R377-E408 IonicContact NH2-OE1 3.82Å; R377-E408 PolarHBondContact NH2-OE1 2.72Å
378	G	97.4	Very high	95.5	Very high	14 Å²	14	64.5 Å²	64.5	14%	0.144	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	38.2	176.8	0	0	0	0	0	114.1	C374 V375 E376 R382	C374-G378 WeakPolarHBondContact O-CA 3.35Å; C374-G378 PolarHBondContact O-N 2.94Å; V375-G378 WeakPolarHBondContact O-CA 3.23Å; V375-G378 PolarHBondContact O-N 2.77Å; E376-G378 VanDerWaalsContact C-N 3.27Å; G378-R382 PolarHBondContact O-NH2 3.4Å
379	L	98.6	Very high	95.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.327	C	S	.	.			trans	-80.3	-15.9	-174.5	-55.3	-176	0	0	0	114.1	C374 R377 L402 D403 E408 A409 W412	C374-L379 HydrophobicContact CB-CB 4.35Å; C374-L379 PolarHBondContact O-N 2.88Å; R377-L379 VanDerWaalsContact C-N 3.34Å; R377-L379 HydrophobicContact CB-CD1 4.2Å; R377-L379 HydrophobicContact CB-CD2 3.9Å; R377-L379 HydrophobicContact CB-CG 3.75Å; R377-L379 PolarHBondContact O-N 3.24Å; L379-L402 HydrophobicContact CB-CD2 4.29Å; L379-D403 WeakPolarHBondContact O-CB 3.38Å; L379-D403 PolarHBondContact O-N 2.79Å; L379-E408 HydrophobicContact CD2-CB 4.06Å; L379-E408 HydrophobicContact CD2-CG 3.79Å; L379-A409 HydrophobicContact CB-CB 4.04Å; L379-A409 HydrophobicContact CD2-CB 4.3Å; L379-A409 WeakPolarHBondContact O-CB 3.44Å; L379-W412 HydrophobicContact CD1-CB 4.01Å; L379-W412 HydrophobicContact CD1-CD2 3.88Å; L379-W412 HydrophobicContact CD1-CG 3.64Å
380	F	98.6	Very high	95.4	Very high	2 Å²	2	59 Å²	59	1%	0.009	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-82.8	154.8	179.6	-62.1	-48.3	0	0	0	113.3	V364 F371 C374 V375 R382 P389 I401 L402	V364-F380 HydrophobicContact CB-CE1 3.77Å; V364-F380 HydrophobicContact CB-CZ 3.73Å; V364-F380 HydrophobicContact CG1-CZ 4.17Å; V364-F380 HydrophobicContact CG2-CE1 3.93Å; V364-F380 HydrophobicContact CG2-CZ 4.26Å; F371-F380 AromaticContact CD2-CE2 3.72Å; F371-F380 HydrophobicContact CD2-CE2 3.72Å; F371-F380 AromaticContact CD2-CZ 3.72Å; F371-F380 HydrophobicContact CD2-CZ 3.72Å; F371-F380 HydrophobicContact CE2-CD2 4.44Å; F371-F380 AromaticContact CE2-CE2 3.57Å; F371-F380 HydrophobicContact CE2-CE2 3.57Å; F371-F380 AromaticContact CE2-CZ 3.91Å; F371-F380 HydrophobicContact CE2-CZ 3.91Å; F371-F380 HydrophobicContact CG-CE2 4.38Å; F371-F380 HydrophobicContact CZ-CE2 4.13Å; C374-F380 HydrophobicContact CB-CD1 4.29Å; C374-F380 HydrophobicContact CB-CD2 4.07Å; C374-F380 HydrophobicContact CB-CE1 3.66Å; C374-F380 HydrophobicContact CB-CE2 3.41Å; C374-F380 VanDerWaalsContact CB-CE2 3.41Å; C374-F380 HydrophobicContact CB-CG 4.48Å; C374-F380 HydrophobicContact CB-CZ 3.17Å; V375-F380 HydrophobicContact CG2-CD2 4.06Å; V375-F380 HydrophobicContact CG2-CE2 3.85Å; F380-R382 WeakPolarHBondContact O-CG 3.45Å; F380-P389 HydrophobicContact CB-CB 4.04Å; F380-P389 HydrophobicContact CD2-CB 3.84Å; F380-P389 HydrophobicContact CG-CB 4.4Å; F380-I401 CarbonylContact C-O 3.59Å; F380-I401 VanDerWaalsContact CA-O 3.3Å; F380-I401 WeakPolarHBondContact CA-O 3.46Å; F380-L402 HydrophobicContact CD1-CD2 4.09Å; F380-L402 HydrophobicContact CE1-CD2 4.01Å
381	V	98.1	Very high	95.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.313	C	S	.	.			trans	-56.1	145.5	159.1	176.8	0	0	0	0	108.3	A390 I401 D403 L439 F443 T445 F455	V381-A390 WeakPolarHBondContact O-CB 3.16Å; V381-A390 PolarHBondContact O-N 2.85Å; V381-I401 HydrophobicContact CB-CG2 3.75Å; V381-I401 HydrophobicContact CG2-CG2 3.8Å; V381-I401 PolarHBondContact N-O 2.86Å; V381-D403 HydrophobicContact CG2-CB 3.97Å; V381-L439 HydrophobicContact CG1-CD2 4.34Å; V381-L439 HydrophobicContact CG2-CD2 4.11Å; V381-F443 HydrophobicContact CG1-CB 3.9Å; V381-F443 HydrophobicContact CG1-CD2 4.05Å; V381-F443 HydrophobicContact CG1-CG 4.33Å; V381-T445 HydrophobicContact CG1-CG2 4.39Å; V381-T445 HydrophobicContact CG2-CG2 4.22Å; V381-F455 HydrophobicContact CG2-CE2 4.17Å
382	R	96.8	Very high	95.1	Very high	82 Å²	82	61.2 Å²	61.2	31%	0.309	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-115.1	159.6	-170.3	-58.6	-169.1	-170.7	-164.6	-2.7	112	G378 F380 G386 L388 F443 S444	G378-R382 PolarHBondContact O-NH2 3.4Å; F380-R382 WeakPolarHBondContact O-CG 3.45Å; R382-G386 WeakPolarHBondContact CD-O 3.47Å; R382-G386 PolarHBondContact NH1-O 2.76Å; R382-L388 VanDerWaalsContact CA-O 3.25Å; R382-L388 WeakPolarHBondContact CA-O 3.45Å; R382-L388 VanDerWaalsContact CB-O 3.22Å; R382-L388 WeakPolarHBondContact CB-O 3.26Å; R382-F443 CarbonylContact O-C 3.56Å; R382-F443 WeakPolarHBondContact O-CA 3.27Å; R382-S444 PolarHBondContact N-O 2.84Å; R382-S444 PolarHBondContact O-N 2.67Å
383	E	93.8	Very high	95	Very high	45 Å²	45	59.7 Å²	59.7	21%	0.21	31%	0.311	C	S	.	.			trans	-63.1	164.5	166.4	61.7	64.2	-136.6	0	0	110.9	T385 G386 R387 L388 S444	E383-T385 VanDerWaalsContact C-N 3.27Å; E383-T385 VanDerWaalsContact CD-OG1 3.25Å; E383-T385 PolarHBondContact O-N 2.94Å; E383-T385 VanDerWaalsContact O-N 3.08Å; E383-T385 PolarHBondContact OE1-N 3.43Å; E383-T385 PolarHBondContact OE1-OG1 2.86Å; E383-T385 WeakPolarHBondContact OE2-CB 3.38Å; E383-T385 WeakPolarHBondContact OE2-CG2 3.17Å; E383-T385 PolarHBondContact OE2-N 2.89Å; E383-T385 PolarHBondContact OE2-OG1 3Å; E383-T385 VanDerWaalsContact OE2-OG1 3.12Å; E383-G386 WeakPolarHBondContact O-CA 3.36Å; E383-G386 PolarHBondContact O-N 3.43Å; E383-G386 PolarHBondContact OE1-N 2.99Å; E383-G386 VanDerWaalsContact OE1-N 3.09Å; E383-R387 PolarHBondContact OE1-N 2.72Å; E383-L388 HydrophobicContact CG-CB 3.89Å; E383-L388 PolarHBondContact N-O 3.44Å; E383-L388 VanDerWaalsContact N-O 3.07Å; E383-L388 PolarHBondContact OE1-N 3.41Å; E383-S444 WeakPolarHBondContact O-CB 3.49Å
384	P	89.7	Confident	94.9	Very high	68 Å²	68	57.8 Å²	57.8	44%	0.442	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-32.1	-169.5	-30.2	37.6	0	0	0	116.6	G386 Q442	P384-G386 PolarHBondContact O-N 3.33Å; P384-Q442 HydrophobicContact CB-CB 4.37Å; P384-Q442 HydrophobicContact CG-CB 3.51Å; P384-Q442 WeakPolarHBondContact CG-O 3.2Å
385	T	89.1	Confident	94.7	Very high	95 Å²	95	59.7 Å²	59.7	58%	0.583	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-8.6	178.1	83.9	0	0	0	0	113.3	E383 R387	E383-T385 VanDerWaalsContact C-N 3.27Å; E383-T385 VanDerWaalsContact CD-OG1 3.25Å; E383-T385 PolarHBondContact O-N 2.94Å; E383-T385 VanDerWaalsContact O-N 3.08Å; E383-T385 PolarHBondContact OE1-N 3.43Å; E383-T385 PolarHBondContact OE1-OG1 2.86Å; E383-T385 WeakPolarHBondContact OE2-CB 3.38Å; E383-T385 WeakPolarHBondContact OE2-CG2 3.17Å; E383-T385 PolarHBondContact OE2-N 2.89Å; E383-T385 PolarHBondContact OE2-OG1 3Å; E383-T385 VanDerWaalsContact OE2-OG1 3.12Å; T385-R387 PolarHBondContact O-N 3.28Å; T385-R387 WeakPolarHBondContact OG1-CD 3.49Å; T385-R387 WeakPolarHBondContact OG1-CG 3.38Å
386	G	89.4	Confident	94.4	Very high	19 Å²	19	58.5 Å²	58.5	20%	0.196	30%	0.297	C	S	.	.	S	Bend	trans	73	9.9	178.3	0	0	0	0	0	114.8	R382 E383 P384	R382-G386 WeakPolarHBondContact CD-O 3.47Å; R382-G386 PolarHBondContact NH1-O 2.76Å; E383-G386 WeakPolarHBondContact O-CA 3.36Å; E383-G386 PolarHBondContact O-N 3.43Å; E383-G386 PolarHBondContact OE1-N 2.99Å; E383-G386 VanDerWaalsContact OE1-N 3.09Å; P384-G386 PolarHBondContact O-N 3.33Å
387	R	88.5	Confident	94.3	Very high	207 Å²	207	53.4 Å²	53.4	78%	0.781	28%	0.281	S	S	*	.	S	Bend	trans	-88.3	-40.1	-174.3	-68.6	179	177.8	-174.9	-0.6	112.7	E383 T385	E383-R387 PolarHBondContact OE1-N 2.72Å; T385-R387 PolarHBondContact O-N 3.28Å; T385-R387 WeakPolarHBondContact OG1-CD 3.49Å; T385-R387 WeakPolarHBondContact OG1-CG 3.38Å
388	L	93.7	Very high	94.3	Very high	115 Å²	115	51.9 Å²	51.9	60%	0.602	28%	0.281	S	S	*	.	S	Bend	trans	-117.6	152.8	-176	-63.3	176.9	0	0	0	111.3	R382 E383	R382-L388 VanDerWaalsContact CA-O 3.25Å; R382-L388 WeakPolarHBondContact CA-O 3.45Å; R382-L388 VanDerWaalsContact CB-O 3.22Å; R382-L388 WeakPolarHBondContact CB-O 3.26Å; E383-L388 HydrophobicContact CG-CB 3.89Å; E383-L388 PolarHBondContact N-O 3.44Å; E383-L388 VanDerWaalsContact N-O 3.07Å; E383-L388 PolarHBondContact OE1-N 3.41Å
389	P	95.1	Very high	94.3	Very high	38 Å²	38	51.2 Å²	51.2	25%	0.247	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-60	142.1	167.7	29.7	-37.3	0	0	0	110	V375 F380	V375-P389 HydrophobicContact CG1-CG 4.48Å; V375-P389 HydrophobicContact CG2-CG 4.05Å; F380-P389 HydrophobicContact CB-CB 4.04Å; F380-P389 HydrophobicContact CD2-CB 3.84Å; F380-P389 HydrophobicContact CG-CB 4.4Å
390	A	95.1	Very high	94.2	Very high	6 Å²	6	51.2 Å²	51.2	5%	0.05	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-75.9	125.1	168.2	0	0	0	0	0	109.1	V381 P440	V381-A390 WeakPolarHBondContact O-CB 3.16Å; V381-A390 PolarHBondContact O-N 2.85Å; A390-P440 HydrophobicContact CB-CG 3.58Å
391	L	94.9	Very high	94.2	Very high	106 Å²	106	51.2 Å²	51.2	56%	0.555	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.1	165.1	-64.5	-179.1	0	0	0	109.1	F371 I398 G399	F371-L391 HydrophobicContact CE2-CD2 4.19Å; F371-L391 HydrophobicContact CZ-CD2 3.81Å; L391-I398 HydrophobicContact CB-CG2 4.38Å; L391-G399 CarbonylContact C-O 3.54Å; L391-G399 WeakPolarHBondContact CA-O 3.26Å
392	V	95.4	Very high	94.2	Very high	10 Å²	10	51.2 Å²	51.2	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.9	-179.6	-56.7	0	0	0	0	109.6	F363 I398 G399 I401 Y438 P440	F363-V392 HydrophobicContact CD1-CG2 3.94Å; F363-V392 HydrophobicContact CE1-CG2 4Å; V392-I398 WeakPolarHBondContact O-CA 3.38Å; V392-G399 PolarHBondContact N-O 3.43Å; V392-G399 PolarHBondContact O-N 3.45Å; V392-I401 HydrophobicContact CG1-CG2 4.26Å; V392-I401 HydrophobicContact CG2-CB 4.1Å; V392-I401 HydrophobicContact CG2-CG2 4.39Å; V392-Y438 WeakPolarHBondContact CG1-O 3.16Å; V392-P440 HydrophobicContact CG1-CG 4.02Å
393	S	94.8	Very high	94.3	Very high	89 Å²	89	47.4 Å²	47.4	62%	0.622	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	139.4	169.3	-161.9	0	0	0	0	109.1	G397	S393-G397 WeakPolarHBondContact CA-O 3.15Å
394	W	94.8	Very high	94.5	Very high	12 Å²	12	45.2 Å²	45.2	5%	0.045	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	176.3	171.7	68.6	-62.5	0	0	0	108.7	Y329 W359 H361 F363 N365 N396 G397 Y438	Y329-W394 AromaticContact CD1-CH2 3.82Å; Y329-W394 HydrophobicContact CD1-CH2 3.82Å; Y329-W394 HydrophobicContact CD1-CZ2 4.11Å; Y329-W394 HydrophobicContact CD2-CZ2 4.44Å; Y329-W394 HydrophobicContact CE1-CH2 4.34Å; Y329-W394 HydrophobicContact CG-CH2 4.08Å; Y329-W394 AromaticContact CG-CZ2 3.87Å; Y329-W394 HydrophobicContact CG-CZ2 3.87Å; W359-W394 AromaticContact CH2-CH2 3.86Å; W359-W394 HydrophobicContact CH2-CH2 3.86Å; W359-W394 AromaticContact CH2-CZ3 3.88Å; W359-W394 HydrophobicContact CH2-CZ3 3.88Å; W359-W394 HydrophobicContact CZ2-CZ3 4.25Å; H361-W394 HydrophobicContact CB-CH2 4.49Å; H361-W394 HydrophobicContact CB-CZ3 4.24Å; H361-W394 AromaticContact CD2-CH2 4Å; H361-W394 AromaticContact CE1-CH2 3.28Å; H361-W394 WeakPolarHBondContact CE1-CH2 3.28Å; H361-W394 AromaticContact CE1-CZ2 3.53Å; H361-W394 AromaticContact CG-CH2 3.68Å; H361-W394 AromaticContact CG-CZ3 3.92Å; H361-W394 AromaticContact ND1-CH2 3.2Å; H361-W394 WeakPolarHBondContact ND1-CH2 3.47Å; H361-W394 AromaticContact ND1-CZ2 3.67Å; H361-W394 AromaticContact ND1-CZ3 3.68Å; H361-W394 AromaticContact NE2-CH2 3.78Å; F363-W394 HydrophobicContact CB-CD2 4.23Å; F363-W394 HydrophobicContact CB-CZ2 4.1Å; F363-W394 HydrophobicContact CD1-CB 4.49Å; F363-W394 HydrophobicContact CD1-CG 4.22Å; F363-W394 HydrophobicContact CD2-CB 4.28Å; F363-W394 AromaticContact CD2-CD2 3.32Å; F363-W394 HydrophobicContact CD2-CD2 3.32Å; F363-W394 AromaticContact CD2-CE2 3.81Å; F363-W394 AromaticContact CD2-CE3 3.3Å; F363-W394 HydrophobicContact CD2-CE3 3.3Å; F363-W394 AromaticContact CD2-CG 3.77Å; F363-W394 HydrophobicContact CD2-CG 3.77Å; F363-W394 HydrophobicContact CD2-CH2 4.2Å; F363-W394 HydrophobicContact CD2-CZ2 4.24Å; F363-W394 AromaticContact CD2-CZ3 3.75Å; F363-W394 HydrophobicContact CD2-CZ3 3.75Å; F363-W394 HydrophobicContact CE1-CB 4.16Å; F363-W394 HydrophobicContact CE1-CG 4.36Å; F363-W394 HydrophobicContact CE2-CB 3.94Å; F363-W394 AromaticContact CE2-CD2 3.74Å; F363-W394 HydrophobicContact CE2-CD2 3.74Å; F363-W394 AromaticContact CE2-CE3 3.52Å; F363-W394 HydrophobicContact CE2-CE3 3.52Å; F363-W394 AromaticContact CE2-CG 3.94Å; F363-W394 HydrophobicContact CE2-CG 3.94Å; F363-W394 HydrophobicContact CE2-CZ3 4.24Å; F363-W394 AromaticContact CG-CD2 3.8Å; F363-W394 HydrophobicContact CG-CD2 3.8Å; F363-W394 AromaticContact CG-CE2 3.95Å; F363-W394 HydrophobicContact CG-CE3 4.23Å; F363-W394 AromaticContact CG-CG 3.93Å; F363-W394 HydrophobicContact CG-CG 3.93Å; F363-W394 HydrophobicContact CZ-CB 3.88Å; F363-W394 HydrophobicContact CZ-CG 4.24Å; N365-W394 PolarHBondContact OD1-NE1 2.97Å; W394-N396 HydrophobicContact CD2-CB 4.09Å; W394-N396 HydrophobicContact CE3-CB 3.98Å; W394-N396 HydrophobicContact CH2-CB 3.43Å; W394-N396 VanDerWaalsContact CH2-CB 3.43Å; W394-N396 HydrophobicContact CZ2-CB 3.5Å; W394-N396 VanDerWaalsContact CZ2-CB 3.5Å; W394-N396 HydrophobicContact CZ3-CB 3.69Å; W394-N396 PolarHBondContact O-N 3.03Å; W394-G397 PolarHBondContact N-O 2.93Å; W394-G397 PolarHBondContact O-N 2.92Å; W394-G397 VanDerWaalsContact O-N 3.11Å; W394-G397 VanDerWaalsContact O-O 3.13Å; W394-Y438 HydrophobicContact CB-CD1 4.04Å; W394-Y438 HydrophobicContact CB-CE1 3.85Å
395	W	92.6	Very high	94.9	Very high	40 Å²	40	42.3 Å²	42.3	15%	0.152	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-18	-170.7	64.1	81.4	0	0	0	114.7	W359 D432 A433 Y438	W359-W395 HydrophobicContact CZ2-CZ2 4.13Å; W395-D432 HydrophobicContact CZ2-CB 4.48Å; W395-D432 WeakPolarHBondContact CZ2-OD2 3.26Å; W395-A433 HydrophobicContact CH2-CB 3.61Å; W395-A433 HydrophobicContact CZ3-CB 3.92Å; W395-Y438 AromaticContact CE3-CZ 3.92Å; W395-Y438 HydrophobicContact CZ3-CE2 4.12Å; W395-Y438 AromaticContact CZ3-CZ 3.76Å; W395-Y438 WeakPolarHBondContact CZ3-OH 3.29Å
396	N	92.8	Very high	95.3	Very high	32 Å²	32	38.2 Å²	38.2	17%	0.171	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	23.2	180	-87.8	-19.5	0	0	0	113.1	D323 Y329 N365 W394	D323-N396 PolarHBondContact OD2-ND2 3.49Å; Y329-N396 HydrophobicContact CD1-CB 4.32Å; Y329-N396 HydrophobicContact CD2-CB 4.02Å; Y329-N396 WeakPolarHBondContact CD2-O 3.49Å; Y329-N396 HydrophobicContact CE1-CB 3.96Å; Y329-N396 VanDerWaalsContact CE1-ND2 3.26Å; Y329-N396 WeakPolarHBondContact CE1-ND2 3.4Å; Y329-N396 HydrophobicContact CE2-CB 3.65Å; Y329-N396 HydrophobicContact CG-CB 4.34Å; Y329-N396 PolarHBondContact OH-ND2 2.7Å; Y329-N396 VanDerWaalsContact OH-ND2 3.13Å; Y329-N396 PolarHBondContact OH-OD1 3.02Å; N365-N396 PolarHBondContact ND2-O 3.34Å; W394-N396 HydrophobicContact CD2-CB 4.09Å; W394-N396 HydrophobicContact CE3-CB 3.98Å; W394-N396 HydrophobicContact CH2-CB 3.43Å; W394-N396 VanDerWaalsContact CH2-CB 3.43Å; W394-N396 HydrophobicContact CZ2-CB 3.5Å; W394-N396 VanDerWaalsContact CZ2-CB 3.5Å; W394-N396 HydrophobicContact CZ3-CB 3.69Å; W394-N396 PolarHBondContact O-N 3.03Å
397	G	94.4	Very high	95.7	Very high	29 Å²	29	40.2 Å²	40.2	30%	0.299	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	129.7	-149.5	166.1	0	0	0	0	0	115.3	S393 W394	S393-G397 WeakPolarHBondContact CA-O 3.15Å; W394-G397 PolarHBondContact N-O 2.93Å; W394-G397 PolarHBondContact O-N 2.92Å; W394-G397 VanDerWaalsContact O-N 3.11Å; W394-G397 VanDerWaalsContact O-O 3.13Å
398	I	96.9	Very high	96.2	Very high	81 Å²	81	34 Å²	34	42%	0.415	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.3	-179.4	-59	175.3	0	0	0	108.8	N365 Y366 L391 V392	N365-I398 WeakPolarHBondContact CA-O 3.11Å; Y366-I398 HydrophobicContact CD1-CB 4.17Å; Y366-I398 HydrophobicContact CD1-CG2 4.47Å; Y366-I398 VanDerWaalsContact CD1-O 3.24Å; Y366-I398 WeakPolarHBondContact CD1-O 3.37Å; Y366-I398 HydrophobicContact CE1-CB 4.24Å; Y366-I398 PolarHBondContact N-O 2.88Å; L391-I398 HydrophobicContact CB-CG2 4.38Å; V392-I398 WeakPolarHBondContact O-CA 3.38Å
399	G	97.1	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	-174.6	-175.1	0	0	0	0	0	113.9	V364 L391 V392	V364-G399 CarbonylContact O-C 3.58Å; V364-G399 WeakPolarHBondContact O-CA 3.38Å; L391-G399 CarbonylContact C-O 3.54Å; L391-G399 WeakPolarHBondContact CA-O 3.26Å; V392-G399 PolarHBondContact N-O 3.43Å; V392-G399 PolarHBondContact O-N 3.45Å
400	G	97.9	Very high	96.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	144.2	166.8	0	0	0	0	0	109.9	F363 V364	F363-G400 CarbonylContact C-O 3.48Å; F363-G400 WeakPolarHBondContact CA-O 3.49Å; V364-G400 PolarHBondContact N-O 2.96Å; V364-G400 PolarHBondContact O-N 2.93Å
401	I	98.1	Very high	96.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.5	171.6	-167.6	177.4	0	0	0	109.8	P362 F363 F380 V381 V392 L439 F455	P362-I401 HydrophobicContact CB-CG1 4.12Å; P362-I401 HydrophobicContact CG-CD1 4.39Å; P362-I401 HydrophobicContact CG-CG1 4.36Å; F363-I401 HydrophobicContact CD1-CB 3.95Å; F363-I401 HydrophobicContact CD1-CD1 4.26Å; F363-I401 HydrophobicContact CD1-CG1 3.91Å; F363-I401 HydrophobicContact CE1-CB 4.13Å; F363-I401 HydrophobicContact CE1-CD1 3.68Å; F363-I401 HydrophobicContact CE1-CG1 3.86Å; F363-I401 HydrophobicContact CZ-CD1 4.36Å; F380-I401 CarbonylContact C-O 3.59Å; F380-I401 VanDerWaalsContact CA-O 3.3Å; F380-I401 WeakPolarHBondContact CA-O 3.46Å; V381-I401 HydrophobicContact CB-CG2 3.75Å; V381-I401 HydrophobicContact CG2-CG2 3.8Å; V381-I401 PolarHBondContact N-O 2.86Å; V392-I401 HydrophobicContact CG1-CG2 4.26Å; V392-I401 HydrophobicContact CG2-CB 4.1Å; V392-I401 HydrophobicContact CG2-CG2 4.39Å; I401-L439 HydrophobicContact CD1-CD2 4.05Å; I401-L439 HydrophobicContact CG2-CD2 4.06Å; I401-F455 HydrophobicContact CD1-CE1 3.67Å; I401-F455 HydrophobicContact CD1-CE2 4.35Å; I401-F455 HydrophobicContact CD1-CZ 3.39Å; I401-F455 HydrophobicContact CG1-CZ 3.81Å
402	L	98.6	Very high	96.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-64.8	134.3	-178	-68.1	170.6	0	0	0	111.2	P362 V364 L379 F380 F404 W412 F413 F455	P362-L402 PolarHBondContact O-N 3.07Å; V364-L402 HydrophobicContact CG2-CD2 4.5Å; L379-L402 HydrophobicContact CB-CD2 4.29Å; F380-L402 HydrophobicContact CD1-CD2 4.09Å; F380-L402 HydrophobicContact CE1-CD2 4.01Å; L402-F404 HydrophobicContact CB-CD2 4.47Å; L402-F404 HydrophobicContact CB-CE2 3.76Å; L402-F404 HydrophobicContact CB-CZ 3.82Å; L402-F404 HydrophobicContact CD1-CZ 4.21Å; L402-F404 WeakPolarHBondContact O-CD2 3.21Å; L402-F404 WeakPolarHBondContact O-CE2 3.14Å; L402-F404 PolarHBondContact O-N 2.93Å; L402-F404 VanDerWaalsContact O-N 3.14Å; L402-W412 HydrophobicContact CD1-CE3 4.25Å; L402-W412 HydrophobicContact CD1-CZ3 4Å; L402-W412 HydrophobicContact CD2-CE3 4.18Å; L402-W412 HydrophobicContact CD2-CZ3 4.11Å; L402-F413 HydrophobicContact CD1-CB 4.26Å; L402-F413 HydrophobicContact CD1-CD2 3.63Å; L402-F413 HydrophobicContact CD1-CE2 4.38Å; L402-F413 HydrophobicContact CD1-CG 4.27Å; L402-F455 WeakPolarHBondContact O-CE2 3.33Å
403	D	98.3	Very high	97.1	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.011	16%	0.161	C	C	.	.			trans	-82.5	89	179	-179.6	2.4	0	0	0	110.8	L379 V381 T405 N406 A409 K446	L379-D403 WeakPolarHBondContact O-CB 3.38Å; L379-D403 PolarHBondContact O-N 2.79Å; V381-D403 HydrophobicContact CG2-CB 3.97Å; D403-T405 VanDerWaalsContact CG-OG1 3.27Å; D403-T405 PolarHBondContact O-N 3Å; D403-T405 WeakPolarHBondContact OD1-CA 3.39Å; D403-T405 WeakPolarHBondContact OD1-CB 3.49Å; D403-T405 VanDerWaalsContact OD1-CG2 3.28Å; D403-T405 WeakPolarHBondContact OD1-CG2 3.46Å; D403-T405 PolarHBondContact OD1-N 2.77Å; D403-T405 PolarHBondContact OD1-OG1 2.63Å; D403-T405 PolarHBondContact OD2-OG1 2.68Å; D403-N406 HydrophobicContact CB-CB 4.16Å; D403-N406 WeakPolarHBondContact O-CA 3.32Å; D403-N406 VanDerWaalsContact O-CB 3.25Å; D403-N406 WeakPolarHBondContact O-CB 3.42Å; D403-N406 PolarHBondContact O-N 2.99Å; D403-N406 PolarHBondContact OD1-N 2.85Å; D403-A409 WeakPolarHBondContact O-CB 3.45Å; D403-K446 VanDerWaalsContact OD2-CB 3.28Å; D403-K446 WeakPolarHBondContact OD2-CB 3.35Å; D403-K446 PolarHBondContact OD2-N 3.02Å
404	F	98.1	Very high	97.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-2.3	176.6	-61.5	-85.6	0	0	0	114	P362 L402 R410 F413 F455 R458 Y459 M462	P362-F404 HydrophobicContact CB-CE2 3.56Å; P362-F404 HydrophobicContact CB-CZ 3.98Å; L402-F404 HydrophobicContact CB-CD2 4.47Å; L402-F404 HydrophobicContact CB-CE2 3.76Å; L402-F404 HydrophobicContact CB-CZ 3.82Å; L402-F404 HydrophobicContact CD1-CZ 4.21Å; L402-F404 WeakPolarHBondContact O-CD2 3.21Å; L402-F404 WeakPolarHBondContact O-CE2 3.14Å; L402-F404 PolarHBondContact O-N 2.93Å; L402-F404 VanDerWaalsContact O-N 3.14Å; F404-R410 HydrophobicContact CB-CG 4.31Å; F404-R410 HydrophobicContact CD1-CG 4.13Å; F404-R410 VanDerWaalsContact O-CD 3.27Å; F404-R410 WeakPolarHBondContact O-CD 3.27Å; F404-R410 WeakPolarHBondContact O-CG 3.32Å; F404-R410 PolarHBondContact O-NH1 3.07Å; F404-F413 HydrophobicContact CE1-CB 4.37Å; F404-F413 AromaticContact CE1-CD1 3.97Å; F404-F413 HydrophobicContact CE1-CD1 3.97Å; F404-F413 HydrophobicContact CE1-CE1 4.43Å; F404-F413 HydrophobicContact CE1-CG 4.11Å; F404-F413 HydrophobicContact CZ-CG 4.45Å; F404-F455 AromaticContact CD2-CE2 3.82Å; F404-F455 HydrophobicContact CD2-CE2 3.82Å; F404-F455 AromaticContact CD2-CZ 3.75Å; F404-F455 HydrophobicContact CD2-CZ 3.75Å; F404-F455 HydrophobicContact CE2-CZ 4.16Å; F404-R458 HydrophobicContact CB-CB 3.64Å; F404-Y459 HydrophobicContact CD1-CD2 4.41Å; F404-Y459 HydrophobicContact CD2-CD2 4.12Å; F404-Y459 AromaticContact CE1-CD2 3.94Å; F404-Y459 HydrophobicContact CE1-CD2 3.94Å; F404-Y459 AromaticContact CE2-CD2 3.61Å; F404-Y459 HydrophobicContact CE2-CD2 3.61Å; F404-Y459 HydrophobicContact CE2-CE2 4.32Å; F404-Y459 HydrophobicContact CE2-CG 4.47Å; F404-Y459 AromaticContact CZ-CD2 3.52Å; F404-Y459 HydrophobicContact CZ-CD2 3.52Å; F404-Y459 AromaticContact CZ-CE2 3.96Å; F404-Y459 HydrophobicContact CZ-CE2 3.96Å; F404-M462 HydrophobicContact CD1-CG 3.64Å; F404-M462 HydrophobicContact CD1-SD 4.06Å; F404-M462 HydrophobicContact CE1-CG 3.76Å; F404-M462 HydrophobicContact CE1-SD 4.47Å
405	T	96.9	Very high	97.4	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.037	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-29.2	165.2	85.3	0	0	0	0	111.9	D403 P407 R410 T445 K446 T447 L449	D403-T405 VanDerWaalsContact CG-OG1 3.27Å; D403-T405 PolarHBondContact O-N 3Å; D403-T405 WeakPolarHBondContact OD1-CA 3.39Å; D403-T405 WeakPolarHBondContact OD1-CB 3.49Å; D403-T405 VanDerWaalsContact OD1-CG2 3.28Å; D403-T405 WeakPolarHBondContact OD1-CG2 3.46Å; D403-T405 PolarHBondContact OD1-N 2.77Å; D403-T405 PolarHBondContact OD1-OG1 2.63Å; D403-T405 PolarHBondContact OD2-OG1 2.68Å; T405-P407 WeakPolarHBondContact O-CD 3.33Å; T405-R410 VanDerWaalsContact C-NH1 3.33Å; T405-R410 PolarHBondContact O-NH1 2.93Å; T405-T445 HydrophobicContact CG2-CG2 3.94Å; T405-K446 PolarHBondContact OG1-N 2.94Å; T405-T447 PolarHBondContact OG1-N 3.18Å; T405-T447 PolarHBondContact OG1-O 3.25Å; T405-L449 HydrophobicContact CG2-CD1 3.99Å; T405-L449 HydrophobicContact CG2-CD2 3.53Å; T405-L449 HydrophobicContact CG2-CG 3.76Å
406	N	98.2	Very high	97.7	Very high	9 Å²	9	27.5 Å²	27.5	5%	0.048	15%	0.152	C	C	.	.	S	Bend	trans	-74.7	118.2	175.7	-174.5	2.5	0	0	0	110.6	D403 E408 A409 R410 K446	D403-N406 HydrophobicContact CB-CB 4.16Å; D403-N406 WeakPolarHBondContact O-CA 3.32Å; D403-N406 VanDerWaalsContact O-CB 3.25Å; D403-N406 WeakPolarHBondContact O-CB 3.42Å; D403-N406 PolarHBondContact O-N 2.99Å; D403-N406 PolarHBondContact OD1-N 2.85Å; N406-E408 PolarHBondContact O-N 3.49Å; N406-E408 PolarHBondContact OD1-N 2.93Å; N406-E408 VanDerWaalsContact OD1-N 3.1Å; N406-A409 HydrophobicContact CB-CB 3.99Å; N406-A409 PolarHBondContact O-N 2.78Å; N406-R410 PolarHBondContact O-N 2.73Å; N406-K446 HydrophobicContact CB-CB 3.65Å; N406-K446 HydrophobicContact CB-CG 3.91Å
407	P	98.1	Very high	98	Very high	61 Å²	61	26 Å²	26	40%	0.396	15%	0.145	S	C	.	.	H	α-helix	trans	-54.9	-38.8	174.4	-23.4	33.5	0	0	0	113.1	T405 A409 R410 D411	T405-P407 WeakPolarHBondContact O-CD 3.33Å; P407-A409 PolarHBondContact O-N 3.27Å; P407-R410 PolarHBondContact O-N 3.07Å; P407-D411 WeakPolarHBondContact O-CB 3.4Å; P407-D411 PolarHBondContact O-N 3.26Å
408	E	98.5	Very high	98.2	Very high	77 Å²	77	30.5 Å²	30.5	36%	0.36	15%	0.153	S	C	.	.	H	α-helix	trans	-65.5	-38	-178.7	-167.1	-174	163.2	0	0	112.3	R377 L379 N406 D411 W412	R377-E408 IonicContact CZ-OE1 2.85Å; R377-E408 IonicContact NE-OE1 3.06Å; R377-E408 PolarHBondContact NE-OE1 3.4Å; R377-E408 IonicContact NH2-OE1 3.82Å; R377-E408 PolarHBondContact NH2-OE1 2.72Å; L379-E408 HydrophobicContact CD2-CB 4.06Å; L379-E408 HydrophobicContact CD2-CG 3.79Å; N406-E408 PolarHBondContact O-N 3.49Å; N406-E408 PolarHBondContact OD1-N 2.93Å; N406-E408 VanDerWaalsContact OD1-N 3.1Å; E408-D411 PolarHBondContact O-N 3Å; E408-W412 WeakPolarHBondContact O-CB 3.35Å; E408-W412 PolarHBondContact O-N 3.23Å
409	A	98.6	Very high	98.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-69.6	-38.8	177.2	0	0	0	0	0	111.5	L379 D403 N406 P407 W412 F413	L379-A409 HydrophobicContact CB-CB 4.04Å; L379-A409 HydrophobicContact CD2-CB 4.3Å; L379-A409 WeakPolarHBondContact O-CB 3.44Å; D403-A409 WeakPolarHBondContact O-CB 3.45Å; N406-A409 HydrophobicContact CB-CB 3.99Å; N406-A409 PolarHBondContact O-N 2.78Å; P407-A409 PolarHBondContact O-N 3.27Å; A409-W412 PolarHBondContact O-N 3.49Å; A409-F413 WeakPolarHBondContact O-CB 3.27Å; A409-F413 PolarHBondContact O-N 3.41Å
410	R	98.4	Very high	98.3	Very high	63 Å²	63	29.8 Å²	29.8	24%	0.238	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-47.1	172.1	-66.1	-163.1	-59.8	-81	-1.9	111.6	F404 T405 N406 P407 F413 A414 M462	F404-R410 HydrophobicContact CB-CG 4.31Å; F404-R410 HydrophobicContact CD1-CG 4.13Å; F404-R410 VanDerWaalsContact O-CD 3.27Å; F404-R410 WeakPolarHBondContact O-CD 3.27Å; F404-R410 WeakPolarHBondContact O-CG 3.32Å; F404-R410 PolarHBondContact O-NH1 3.07Å; T405-R410 VanDerWaalsContact C-NH1 3.33Å; T405-R410 PolarHBondContact O-NH1 2.93Å; N406-R410 PolarHBondContact O-N 2.73Å; P407-R410 PolarHBondContact O-N 3.07Å; R410-F413 PolarHBondContact O-N 3.46Å; R410-A414 VanDerWaalsContact O-CB 3.23Å; R410-A414 WeakPolarHBondContact O-CB 3.47Å; R410-A414 PolarHBondContact O-N 3.18Å; R410-M462 HydrophobicContact CB-CE 3.92Å; R410-M462 HydrophobicContact CB-SD 3.88Å; R410-M462 HydrophobicContact CG-CE 4.46Å; R410-M462 HydrophobicContact CG-SD 3.81Å; R410-M462 WeakPolarHBondContact O-CE 3.23Å
411	D	98.6	Very high	98.2	Very high	101 Å²	101	35.3 Å²	35.3	54%	0.54	18%	0.175	S	C	.	.	H	α-helix	trans	-66.1	-38.4	179.7	-74.4	-29.2	0	0	0	112	P407 E408 S415	P407-D411 WeakPolarHBondContact O-CB 3.4Å; P407-D411 PolarHBondContact O-N 3.26Å; E408-D411 PolarHBondContact O-N 3Å; D411-S415 VanDerWaalsContact O-CB 3.23Å; D411-S415 WeakPolarHBondContact O-CB 3.45Å; D411-S415 PolarHBondContact O-N 3.16Å; D411-S415 PolarHBondContact O-OG 3.22Å
412	W	98.6	Very high	98.2	Very high	12 Å²	12	40.3 Å²	40.3	5%	0.045	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-54.6	173	-175.5	89.3	0	0	0	111.2	F332 V364 N370 L379 L402 E408 A409 A414 S415 H416	F332-W412 HydrophobicContact CD2-CH2 4.12Å; F332-W412 HydrophobicContact CD2-CZ3 4.42Å; F332-W412 AromaticContact CE2-CH2 3.59Å; F332-W412 HydrophobicContact CE2-CH2 3.59Å; F332-W412 AromaticContact CE2-CZ3 3.6Å; F332-W412 HydrophobicContact CE2-CZ3 3.6Å; F332-W412 HydrophobicContact CZ-CZ3 4.15Å; V364-W412 HydrophobicContact CG2-CH2 4.48Å; N370-W412 HydrophobicContact CB-CH2 4.05Å; N370-W412 HydrophobicContact CB-CZ2 4.04Å; L379-W412 HydrophobicContact CD1-CB 4.01Å; L379-W412 HydrophobicContact CD1-CD2 3.88Å; L379-W412 HydrophobicContact CD1-CG 3.64Å; L402-W412 HydrophobicContact CD1-CE3 4.25Å; L402-W412 HydrophobicContact CD1-CZ3 4Å; L402-W412 HydrophobicContact CD2-CE3 4.18Å; L402-W412 HydrophobicContact CD2-CZ3 4.11Å; E408-W412 WeakPolarHBondContact O-CB 3.35Å; E408-W412 PolarHBondContact O-N 3.23Å; A409-W412 PolarHBondContact O-N 3.49Å; W412-A414 PolarHBondContact O-N 2.97Å; W412-S415 PolarHBondContact O-N 3.01Å; W412-S415 PolarHBondContact O-OG 3.43Å; W412-H416 AromaticContact CD1-CE1 3.93Å; W412-H416 AromaticContact CD2-CE1 3.72Å; W412-H416 AromaticContact CD2-ND1 3.79Å; W412-H416 AromaticContact CE2-CE1 3.3Å; W412-H416 AromaticContact CE2-ND1 3.83Å; W412-H416 AromaticContact CZ2-CE1 3.54Å; W412-H416 AromaticContact NE1-CE1 3.47Å; W412-H416 PolarHBondContact NE1-CE1 2.83Å; W412-H416 PolarHBondContact O-N 3Å; W412-H416 PolarHBondContact O-ND1 3.49Å
413	F	98.6	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.6	-49.3	177.9	-174.7	-104.5	0	0	0	111.6	F332 T360 L402 F404 A409 R410 S415 H416 L417 Y459 M462	F332-F413 AromaticContact CE1-CD2 3.89Å; F332-F413 HydrophobicContact CE1-CD2 3.89Å; F332-F413 AromaticContact CE1-CE2 3.67Å; F332-F413 HydrophobicContact CE1-CE2 3.67Å; F332-F413 AromaticContact CZ-CD2 3.73Å; F332-F413 HydrophobicContact CZ-CD2 3.73Å; F332-F413 AromaticContact CZ-CE2 3.77Å; F332-F413 HydrophobicContact CZ-CE2 3.77Å; T360-F413 HydrophobicContact CG2-CZ 4.1Å; L402-F413 HydrophobicContact CD1-CB 4.26Å; L402-F413 HydrophobicContact CD1-CD2 3.63Å; L402-F413 HydrophobicContact CD1-CE2 4.38Å; L402-F413 HydrophobicContact CD1-CG 4.27Å; F404-F413 HydrophobicContact CE1-CB 4.37Å; F404-F413 AromaticContact CE1-CD1 3.97Å; F404-F413 HydrophobicContact CE1-CD1 3.97Å; F404-F413 HydrophobicContact CE1-CE1 4.43Å; F404-F413 HydrophobicContact CE1-CG 4.11Å; F404-F413 HydrophobicContact CZ-CG 4.45Å; A409-F413 WeakPolarHBondContact O-CB 3.27Å; A409-F413 PolarHBondContact O-N 3.41Å; R410-F413 PolarHBondContact O-N 3.46Å; F413-S415 VanDerWaalsContact C-N 3.28Å; F413-S415 PolarHBondContact O-N 3.45Å; F413-H416 PolarHBondContact O-N 3.31Å; F413-L417 HydrophobicContact CD1-CD1 4.11Å; F413-L417 HydrophobicContact CE1-CD1 3.62Å; F413-L417 HydrophobicContact CE1-CG 4.28Å; F413-L417 HydrophobicContact CZ-CD1 4.13Å; F413-L417 PolarHBondContact O-N 2.84Å; F413-Y459 HydrophobicContact CZ-CE2 4.37Å; F413-M462 HydrophobicContact CD1-CB 4.37Å; F413-M462 HydrophobicContact CD1-CE 4.05Å; F413-M462 HydrophobicContact CD1-CG 4.34Å; F413-M462 HydrophobicContact CE1-CB 4.29Å
414	A	98.4	Very high	98.1	Very high	13 Å²	13	46.1 Å²	46.1	11%	0.107	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-32.5	178.5	0	0	0	0	0	113.1	R410 W412 L417 R418 M462	R410-A414 VanDerWaalsContact O-CB 3.23Å; R410-A414 WeakPolarHBondContact O-CB 3.47Å; R410-A414 PolarHBondContact O-N 3.18Å; W412-A414 PolarHBondContact O-N 2.97Å; A414-L417 PolarHBondContact O-N 2.85Å; A414-R418 WeakPolarHBondContact O-CB 3.47Å; A414-R418 VanDerWaalsContact O-CG 3.28Å; A414-R418 WeakPolarHBondContact O-CG 3.27Å; A414-R418 PolarHBondContact O-N 2.91Å; A414-M462 HydrophobicContact CB-CE 3.78Å
415	S	98.4	Very high	98.1	Very high	47 Å²	47	48.5 Å²	48.5	33%	0.329	26%	0.26	S	S	.	.	H	α-helix	trans	-65.2	-37.7	176.6	73.2	0	0	0	0	112.6	D411 W412 F413 R418 S419	D411-S415 VanDerWaalsContact O-CB 3.23Å; D411-S415 WeakPolarHBondContact O-CB 3.45Å; D411-S415 PolarHBondContact O-N 3.16Å; D411-S415 PolarHBondContact O-OG 3.22Å; W412-S415 PolarHBondContact O-N 3.01Å; W412-S415 PolarHBondContact O-OG 3.43Å; F413-S415 VanDerWaalsContact C-N 3.28Å; F413-S415 PolarHBondContact O-N 3.45Å; S415-R418 PolarHBondContact O-N 3.03Å; S415-S419 WeakPolarHBondContact O-CB 3.19Å; S415-S419 PolarHBondContact O-N 3.32Å
416	H	98.3	Very high	98.1	Very high	43 Å²	43	48.3 Å²	48.3	20%	0.199	26%	0.258	C	S	.	.	H	α-helix	trans	-67	-46.5	175.4	-72.3	92	0	0	0	111.9	F332 W412 F413 R418 S419 L420	F332-H416 HydrophobicContact CB-CB 3.64Å; F332-H416 HydrophobicContact CD1-CB 3.73Å; F332-H416 HydrophobicContact CD2-CB 4.06Å; F332-H416 AromaticContact CD2-CD2 3.98Å; F332-H416 AromaticContact CD2-CG 3.85Å; F332-H416 HydrophobicContact CE1-CB 4.4Å; F332-H416 HydrophobicContact CG-CB 3.54Å; F332-H416 AromaticContact CG-CD2 3.99Å; F332-H416 AromaticContact CG-CG 3.79Å; W412-H416 AromaticContact CD1-CE1 3.93Å; W412-H416 AromaticContact CD2-CE1 3.72Å; W412-H416 AromaticContact CD2-ND1 3.79Å; W412-H416 AromaticContact CE2-CE1 3.3Å; W412-H416 AromaticContact CE2-ND1 3.83Å; W412-H416 AromaticContact CZ2-CE1 3.54Å; W412-H416 AromaticContact NE1-CE1 3.47Å; W412-H416 PolarHBondContact NE1-CE1 2.83Å; W412-H416 PolarHBondContact O-N 3Å; W412-H416 PolarHBondContact O-ND1 3.49Å; F413-H416 PolarHBondContact O-N 3.31Å; H416-R418 VanDerWaalsContact C-N 3.33Å; H416-R418 PolarHBondContact O-N 3.01Å; H416-S419 WeakPolarHBondContact O-CA 2.95Å; H416-S419 VanDerWaalsContact O-CB 3.32Å; H416-S419 WeakPolarHBondContact O-CB 3.11Å; H416-S419 PolarHBondContact O-N 2.89Å; H416-L420 PolarHBondContact O-N 2.98Å
417	L	98.3	Very high	98.1	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-40.1	174.7	-57.9	-168.3	0	0	0	112.1	F332 T360 F413 A414 S419 L420 R421 F429 Y466	F332-L417 HydrophobicContact CD1-CD2 4.31Å; F332-L417 HydrophobicContact CE1-CD2 4.37Å; T360-L417 HydrophobicContact CG2-CD2 4.37Å; F413-L417 HydrophobicContact CD1-CD1 4.11Å; F413-L417 HydrophobicContact CE1-CD1 3.62Å; F413-L417 HydrophobicContact CE1-CG 4.28Å; F413-L417 HydrophobicContact CZ-CD1 4.13Å; F413-L417 PolarHBondContact O-N 2.84Å; A414-L417 PolarHBondContact O-N 2.85Å; L417-S419 VanDerWaalsContact C-N 3.33Å; L417-S419 PolarHBondContact O-N 3.26Å; L417-L420 HydrophobicContact CD2-CD1 4.48Å; L417-R421 WeakPolarHBondContact O-CB 3.42Å; L417-R421 PolarHBondContact O-N 2.76Å; L417-R421 VanDerWaalsContact O-N 3.08Å; L417-F429 HydrophobicContact CB-CD2 4.41Å; L417-F429 HydrophobicContact CB-CE1 4.33Å; L417-F429 HydrophobicContact CB-CE2 3.78Å; L417-F429 HydrophobicContact CB-CZ 3.74Å; L417-F429 HydrophobicContact CD1-CD2 4.19Å; L417-F429 HydrophobicContact CD1-CE2 4.39Å; L417-F429 HydrophobicContact CD1-CG 4.35Å; L417-F429 HydrophobicContact CD2-CD1 3.89Å; L417-F429 HydrophobicContact CD2-CE1 3.69Å; L417-F429 HydrophobicContact CD2-CE2 4.47Å; L417-F429 HydrophobicContact CD2-CG 4.37Å; L417-F429 HydrophobicContact CD2-CZ 4.01Å; L417-F429 HydrophobicContact CG-CE1 4.47Å; L417-F429 HydrophobicContact CG-CE2 4.43Å; L417-F429 HydrophobicContact CG-CZ 4.34Å; L417-F429 WeakPolarHBondContact O-CZ 3.46Å; L417-Y466 HydrophobicContact CB-CE2 4.11Å; L417-Y466 WeakPolarHBondContact CB-OH 3.4Å; L417-Y466 HydrophobicContact CD1-CE2 3.96Å
418	R	98.2	Very high	98.1	Very high	124 Å²	124	46.1 Å²	46.1	47%	0.468	25%	0.246	S	C	.	.	H	α-helix	trans	-64.3	-36.1	172.3	-73.8	-172.2	-56.4	-99.8	2.2	112.4	A414 S415 H416 S422 Y466	A414-R418 WeakPolarHBondContact O-CB 3.47Å; A414-R418 VanDerWaalsContact O-CG 3.28Å; A414-R418 WeakPolarHBondContact O-CG 3.27Å; A414-R418 PolarHBondContact O-N 2.91Å; S415-R418 PolarHBondContact O-N 3.03Å; H416-R418 VanDerWaalsContact C-N 3.33Å; H416-R418 PolarHBondContact O-N 3.01Å; R418-S422 WeakPolarHBondContact O-CB 3.47Å; R418-S422 PolarHBondContact O-N 3.15Å; R418-S422 PolarHBondContact O-OG 2.85Å; R418-Y466 PolarHBondContact N-OH 3.46Å
419	S	98.2	Very high	98.1	Very high	64 Å²	64	42.5 Å²	42.5	45%	0.448	23%	0.228	S	C	.	.	H	α-helix	trans	-64.6	-51.3	176.5	-170.9	0	0	0	0	111.1	S415 H416 L417 R421 S422 K423	S415-S419 WeakPolarHBondContact O-CB 3.19Å; S415-S419 PolarHBondContact O-N 3.32Å; H416-S419 WeakPolarHBondContact O-CA 2.95Å; H416-S419 VanDerWaalsContact O-CB 3.32Å; H416-S419 WeakPolarHBondContact O-CB 3.11Å; H416-S419 PolarHBondContact O-N 2.89Å; L417-S419 VanDerWaalsContact C-N 3.33Å; L417-S419 PolarHBondContact O-N 3.26Å; S419-R421 VanDerWaalsContact C-N 3.32Å; S419-R421 PolarHBondContact O-N 2.65Å; S419-S422 PolarHBondContact O-N 3.34Å; S419-K423 VanDerWaalsContact O-CB 3.29Å; S419-K423 WeakPolarHBondContact O-CB 3.17Å; S419-K423 PolarHBondContact O-N 3.24Å
420	L	98.1	Very high	98	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-53.9	-46.3	175.1	-75.1	167.3	0	0	0	112.1	F332 F334 L358 H416 L417 Y424 V426 F429	F332-L420 HydrophobicContact CB-CD1 4.44Å; F332-L420 VanDerWaalsContact O-CD2 3.32Å; F332-L420 WeakPolarHBondContact O-CD2 3.41Å; F332-L420 WeakPolarHBondContact O-CG 3.44Å; F334-L420 HydrophobicContact CE2-CD2 4.38Å; L358-L420 HydrophobicContact CD1-CB 4.48Å; L358-L420 HydrophobicContact CD1-CD1 4.1Å; L358-L420 HydrophobicContact CD1-CD2 4.11Å; L358-L420 HydrophobicContact CD1-CG 4.48Å; H416-L420 PolarHBondContact O-N 2.98Å; L417-L420 HydrophobicContact CD2-CD1 4.48Å; L420-Y424 HydrophobicContact CD2-CD2 4.03Å; L420-Y424 HydrophobicContact CD2-CE2 3.99Å; L420-Y424 PolarHBondContact O-N 2.84Å; L420-V426 HydrophobicContact CB-CG2 4.24Å; L420-F429 HydrophobicContact CB-CE1 4.46Å; L420-F429 HydrophobicContact CB-CZ 4.34Å; L420-F429 HydrophobicContact CD1-CE1 4.13Å
421	R	97.3	Very high	98	Very high	116 Å²	116	39.6 Å²	39.6	44%	0.438	22%	0.218	S	C	.	.	H	α-helix	trans	-61.7	-41.7	174.5	178.7	163.5	-175.6	-176.8	4.4	112.9	L417 S419 G425 V426	L417-R421 WeakPolarHBondContact O-CB 3.42Å; L417-R421 PolarHBondContact O-N 2.76Å; L417-R421 VanDerWaalsContact O-N 3.08Å; S419-R421 VanDerWaalsContact C-N 3.32Å; S419-R421 PolarHBondContact O-N 2.65Å; R421-G425 WeakPolarHBondContact O-CA 3.33Å; R421-G425 PolarHBondContact O-N 3.45Å; R421-V426 WeakPolarHBondContact CG-O 3.14Å
422	S	97.6	Very high	97.9	Very high	105 Å²	105	35.2 Å²	35.2	73%	0.734	19%	0.194	S	C	*	.	H	α-helix	trans	-75.3	-36.8	-177.6	-54.9	0	0	0	0	112.9	R418 S419	R418-S422 WeakPolarHBondContact O-CB 3.47Å; R418-S422 PolarHBondContact O-N 3.15Å; R418-S422 PolarHBondContact O-OG 2.85Å; S419-S422 PolarHBondContact O-N 3.34Å
423	K	97.7	Very high	97.8	Very high	99 Å²	99	34.6 Å²	34.6	43%	0.43	19%	0.192	S	C	.	.	H	α-helix	trans	-78.1	-42.4	-176.6	-172.9	176.5	175.8	-171.9	0	112.5	D333 S419	D333-K423 IonicContact OD1-NZ 2.79Å; D333-K423 PolarHBondContact OD1-NZ 3.14Å; D333-K423 IonicContact OD2-NZ 3.72Å; D333-K423 PolarHBondContact OD2-NZ 2.94Å; S419-K423 VanDerWaalsContact O-CB 3.29Å; S419-K423 WeakPolarHBondContact O-CB 3.17Å; S419-K423 PolarHBondContact O-N 3.24Å
424	Y	97.9	Very high	97.7	Very high	25 Å²	25	34.6 Å²	34.6	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-115	-16.3	-172.4	-56	-61.7	0	0	0	114.5	D333 F334 A342 F346 L420	D333-Y424 VanDerWaalsContact OD1-CE2 3.27Å; D333-Y424 WeakPolarHBondContact OD1-CE2 3.11Å; D333-Y424 VanDerWaalsContact OD1-CZ 3.31Å; D333-Y424 PolarHBondContact OD1-OH 2.87Å; F334-Y424 AromaticContact CD2-CD2 3.96Å; F334-Y424 HydrophobicContact CD2-CD2 3.96Å; F334-Y424 AromaticContact CD2-CE2 3.45Å; F334-Y424 HydrophobicContact CD2-CE2 3.45Å; F334-Y424 VanDerWaalsContact CD2-CE2 3.45Å; F334-Y424 AromaticContact CD2-CZ 3.76Å; F334-Y424 AromaticContact CE2-CD2 3.77Å; F334-Y424 HydrophobicContact CE2-CD2 3.77Å; F334-Y424 AromaticContact CE2-CE2 3.77Å; F334-Y424 HydrophobicContact CE2-CE2 3.77Å; F334-Y424 HydrophobicContact CE2-CG 4.36Å; A342-Y424 HydrophobicContact CB-CD1 4.11Å; A342-Y424 HydrophobicContact CB-CE1 3.61Å; F346-Y424 VanDerWaalsContact CB-O 3.31Å; F346-Y424 WeakPolarHBondContact CB-O 3.15Å; F346-Y424 WeakPolarHBondContact CD1-O 3.42Å; L420-Y424 HydrophobicContact CD2-CD2 4.03Å; L420-Y424 HydrophobicContact CD2-CE2 3.99Å; L420-Y424 PolarHBondContact O-N 2.84Å
425	G	96.7	Very high	97.7	Very high	51 Å²	51	34 Å²	34	53%	0.526	19%	0.187	S	C	.	.			trans	81.3	26	-173.3	0	0	0	0	0	114	R421 S427	R421-G425 WeakPolarHBondContact O-CA 3.33Å; R421-G425 PolarHBondContact O-N 3.45Å; G425-S427 PolarHBondContact O-N 3.09Å
426	V	98.1	Very high	97.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.173	C	C	.	.			trans	-50.9	128.5	172	177.9	0	0	0	0	110.2	F346 L358 L420 R421 S428 F429	F346-V426 HydrophobicContact CE1-CG2 3.73Å; F346-V426 HydrophobicContact CZ-CG2 4.01Å; L358-V426 HydrophobicContact CB-CG1 4.48Å; L358-V426 HydrophobicContact CD1-CG1 4.17Å; L358-V426 HydrophobicContact CD1-CG2 3.57Å; L358-V426 HydrophobicContact CG-CG1 3.88Å; L358-V426 HydrophobicContact CG-CG2 3.94Å; L420-V426 HydrophobicContact CB-CG2 4.24Å; R421-V426 WeakPolarHBondContact CG-O 3.14Å; V426-S428 WeakPolarHBondContact CG1-O 3.29Å; V426-F429 HydrophobicContact CB-CZ 4.46Å; V426-F429 HydrophobicContact CG1-CD1 4.46Å; V426-F429 HydrophobicContact CG1-CE1 3.85Å; V426-F429 HydrophobicContact CG1-CE2 4.35Å; V426-F429 HydrophobicContact CG1-CZ 3.78Å
427	S	97.1	Very high	97.4	Very high	25 Å²	25	32.6 Å²	32.6	18%	0.175	18%	0.177	C	C	.	.			trans	-84.4	-36.7	-172.7	68.6	0	0	0	0	113.1	V356 G425	V356-S427 VanDerWaalsContact C-OG 3.31Å; V356-S427 WeakPolarHBondContact O-CB 3.28Å; V356-S427 PolarHBondContact O-N 3.38Å; V356-S427 PolarHBondContact O-OG 3.31Å; G425-S427 PolarHBondContact O-N 3.09Å
428	S	97.9	Very high	97.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	-169.7	179.7	-162.5	0	0	0	0	111.3	S357 L358 V426 Y466 R469 A470	S357-S428 WeakPolarHBondContact CA-O 3.44Å; S357-S428 WeakPolarHBondContact CB-O 3.49Å; L358-S428 PolarHBondContact N-O 3.31Å; V426-S428 WeakPolarHBondContact CG1-O 3.29Å; S428-Y466 PolarHBondContact OG-O 3.29Å; S428-R469 PolarHBondContact OG-O 3.01Å; S428-A470 VanDerWaalsContact OG-CA 3.27Å; S428-A470 WeakPolarHBondContact OG-CA 3.42Å; S428-A470 WeakPolarHBondContact OG-CB 3.49Å; S428-A470 PolarHBondContact OG-N 3.19Å; S428-A470 VanDerWaalsContact OG-N 3.12Å
429	F	98.4	Very high	97.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	147	-178	-59.8	-84.6	0	0	0	111.2	L358 T360 L417 L420 V426 L431 Y466 A470 E471	L358-F429 HydrophobicContact CB-CD1 3.97Å; L358-F429 HydrophobicContact CB-CE1 4.14Å; L358-F429 HydrophobicContact CD1-CE1 4.41Å; L358-F429 CarbonylContact O-C 3.56Å; L358-F429 WeakPolarHBondContact O-CA 3.34Å; T360-F429 HydrophobicContact CG2-CB 4.15Å; T360-F429 HydrophobicContact CG2-CD1 4.46Å; L417-F429 HydrophobicContact CB-CD2 4.41Å; L417-F429 HydrophobicContact CB-CE1 4.33Å; L417-F429 HydrophobicContact CB-CE2 3.78Å; L417-F429 HydrophobicContact CB-CZ 3.74Å; L417-F429 HydrophobicContact CD1-CD2 4.19Å; L417-F429 HydrophobicContact CD1-CE2 4.39Å; L417-F429 HydrophobicContact CD1-CG 4.35Å; L417-F429 HydrophobicContact CD2-CD1 3.89Å; L417-F429 HydrophobicContact CD2-CE1 3.69Å; L417-F429 HydrophobicContact CD2-CE2 4.47Å; L417-F429 HydrophobicContact CD2-CG 4.37Å; L417-F429 HydrophobicContact CD2-CZ 4.01Å; L417-F429 HydrophobicContact CG-CE1 4.47Å; L417-F429 HydrophobicContact CG-CE2 4.43Å; L417-F429 HydrophobicContact CG-CZ 4.34Å; L417-F429 WeakPolarHBondContact O-CZ 3.46Å; L420-F429 HydrophobicContact CB-CE1 4.46Å; L420-F429 HydrophobicContact CB-CZ 4.34Å; L420-F429 HydrophobicContact CD1-CE1 4.13Å; V426-F429 HydrophobicContact CB-CZ 4.46Å; V426-F429 HydrophobicContact CG1-CD1 4.46Å; V426-F429 HydrophobicContact CG1-CE1 3.85Å; V426-F429 HydrophobicContact CG1-CE2 4.35Å; V426-F429 HydrophobicContact CG1-CZ 3.78Å; F429-L431 HydrophobicContact CB-CD1 3.74Å; F429-Y466 AromaticContact CD2-CD1 3.95Å; F429-Y466 HydrophobicContact CD2-CD1 3.95Å; F429-Y466 AromaticContact CD2-CD2 3.82Å; F429-Y466 HydrophobicContact CD2-CD2 3.82Å; F429-Y466 HydrophobicContact CD2-CE1 4.22Å; F429-Y466 HydrophobicContact CD2-CE2 4.07Å; F429-Y466 AromaticContact CD2-CG 3.75Å; F429-Y466 HydrophobicContact CD2-CG 3.75Å; F429-Y466 AromaticContact CE2-CD1 3.81Å; F429-Y466 HydrophobicContact CE2-CD1 3.81Å; F429-Y466 HydrophobicContact CE2-CD2 4.22Å; F429-Y466 AromaticContact CE2-CE1 3.69Å; F429-Y466 HydrophobicContact CE2-CE1 3.69Å; F429-Y466 HydrophobicContact CE2-CE2 4.1Å; F429-Y466 HydrophobicContact CE2-CG 4.08Å; F429-Y466 AromaticContact CE2-CZ 3.84Å; F429-A470 WeakPolarHBondContact O-CA 3.2Å; F429-E471 PolarHBondContact O-N 3.27Å
430	K	98.1	Very high	96.9	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.013	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	113.5	162	166.5	171.3	174	-165.3	0	107.5	E320 D322 L358 T360 E471	E320-K430 HydrophobicContact CG-CD 4.2Å; E320-K430 WeakPolarHBondContact OE1-CD 3.27Å; E320-K430 IonicContact OE1-NZ 2.92Å; E320-K430 PolarHBondContact OE1-NZ 2.79Å; E320-K430 WeakPolarHBondContact OE2-CD 3.33Å; D322-K430 IonicContact OD2-NZ 3.01Å; D322-K430 PolarHBondContact OD2-NZ 3.13Å; L358-K430 PolarHBondContact O-N 2.93Å; T360-K430 PolarHBondContact N-O 3.45Å; K430-E471 HydrophobicContact CB-CB 4.25Å; K430-E471 WeakPolarHBondContact CD-OE1 3.25Å; K430-E471 VanDerWaalsContact CE-OE1 3.26Å; K430-E471 WeakPolarHBondContact CE-OE1 3.48Å; K430-E471 HydrophobicContact CG-CB 4.29Å; K430-E471 WeakPolarHBondContact CG-OE1 3.41Å
431	L	97.8	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	95.9	-177.4	-76.4	89.4	0	0	0	108.4	T360 F429 Y459 M462 A463 A470 E471 L472 R473	T360-L431 HydrophobicContact CG2-CG 3.97Å; F429-L431 HydrophobicContact CB-CD1 3.74Å; L431-Y459 WeakPolarHBondContact CA-OH 3.42Å; L431-Y459 HydrophobicContact CB-CE1 4.08Å; L431-Y459 WeakPolarHBondContact CB-OH 3.18Å; L431-Y459 HydrophobicContact CD2-CE2 4.33Å; L431-M462 HydrophobicContact CD2-CB 4.21Å; L431-A463 HydrophobicContact CD1-CB 3.93Å; L431-A463 HydrophobicContact CD2-CB 4.09Å; L431-A470 HydrophobicContact CD1-CB 4.49Å; L431-E471 PolarHBondContact N-O 3.1Å; L431-L472 HydrophobicContact CB-CD2 3.71Å; L431-L472 HydrophobicContact CD2-CD2 4.37Å; L431-L472 HydrophobicContact CG-CD2 4.49Å; L431-R473 PolarHBondContact O-N 2.85Å
432	D	97.3	Very high	96	Very high	8 Å²	8	32 Å²	32	4%	0.043	18%	0.176	C	C	.	.			trans	-90.3	161	-177.4	-157	-5	0	0	0	111.4	W359 T360 P362 W395 Y459 R473	W359-D432 HydrophobicContact CZ2-CB 4.33Å; W359-D432 PolarHBondContact NE1-OD2 2.83Å; T360-D432 PolarHBondContact O-N 2.74Å; P362-D432 WeakPolarHBondContact CD-O 3.19Å; W395-D432 HydrophobicContact CZ2-CB 4.48Å; W395-D432 WeakPolarHBondContact CZ2-OD2 3.26Å; D432-Y459 PolarHBondContact O-OH 3.4Å; D432-R473 WeakPolarHBondContact OD1-CD 3.28Å; D432-R473 IonicContact OD1-CZ 2.8Å; D432-R473 IonicContact OD1-NE 2.95Å; D432-R473 IonicContact OD1-NH1 3.33Å; D432-R473 PolarHBondContact OD1-NH1 3.34Å; D432-R473 IonicContact OD2-NH1 2.89Å
433	A	96.7	Very high	95.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.			trans	56.7	-144.1	-166.7	0	0	0	0	0	113.5	P362 F363 W395 E435 Y438 S474	P362-A433 HydrophobicContact CG-CB 4.14Å; F363-A433 HydrophobicContact CE2-CB 3.68Å; F363-A433 HydrophobicContact CZ-CB 4.13Å; W395-A433 HydrophobicContact CH2-CB 3.61Å; W395-A433 HydrophobicContact CZ3-CB 3.92Å; A433-E435 WeakPolarHBondContact CA-OE2 3.47Å; A433-Y438 HydrophobicContact CB-CD2 4.37Å; A433-Y438 HydrophobicContact CB-CE2 4.09Å; A433-S474 WeakPolarHBondContact O-CB 3.28Å; A433-S474 PolarHBondContact O-OG 3.33Å
434	G	96.3	Very high	95.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.			trans	98.3	-2.8	-176.5	0	0	0	0	0	114.4	T456 Y459	G434-T456 VanDerWaalsContact O-CA 3.24Å; G434-T456 WeakPolarHBondContact O-CA 3.1Å; G434-T456 VanDerWaalsContact O-CB 3.31Å; G434-T456 WeakPolarHBondContact O-CB 3.33Å; G434-T456 PolarHBondContact O-OG1 3.06Å; G434-Y459 VanDerWaalsContact CA-CD1 3.41Å
435	E	97.6	Very high	95.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.137	C	C	.	.			trans	-68.2	151.6	177.6	-58.8	87.3	168	0	0	112.2	A433 N437 Y438 R473	A433-E435 WeakPolarHBondContact CA-OE2 3.47Å; E435-N437 VanDerWaalsContact C-N 3.33Å; E435-N437 VanDerWaalsContact CB-OD1 3.26Å; E435-N437 WeakPolarHBondContact CB-OD1 3.45Å; E435-N437 PolarHBondContact O-N 3.32Å; E435-Y438 HydrophobicContact CB-CD2 4.18Å; E435-Y438 HydrophobicContact CB-CE2 4.29Å; E435-Y438 WeakPolarHBondContact OE2-CE2 3.21Å; E435-R473 IonicContact OE1-NE 3.92Å; E435-R473 PolarHBondContact OE1-NE 3.23Å
436	T	96.1	Very high	95.6	Very high	7 Å²	7	28.9 Å²	28.9	4%	0.043	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-72.3	-27.1	-175.4	-55.9	0	0	0	0	112.4	V179 T180 Y438 L439 P452 S453 T456	V179-T436 HydrophobicContact CB-CG2 3.82Å; V179-T436 HydrophobicContact CG1-CG2 4.27Å; V179-T436 HydrophobicContact CG2-CG2 4.07Å; T180-T436 WeakPolarHBondContact O-CA 3.32Å; T180-T436 WeakPolarHBondContact O-CB 3.4Å; T180-T436 PolarHBondContact O-N 2.83Å; T180-T436 WeakPolarHBondContact OG1-CB 3.06Å; T180-T436 PolarHBondContact OG1-N 3.28Å; T180-T436 PolarHBondContact OG1-OG1 2.89Å; T436-Y438 PolarHBondContact O-N 3.26Å; T436-Y438 VanDerWaalsContact O-N 3.16Å; T436-L439 HydrophobicContact CG2-CD1 4.35Å; T436-L439 WeakPolarHBondContact O-CB 3.42Å; T436-L439 PolarHBondContact O-N 2.9Å; T436-P452 HydrophobicContact CG2-CB 3.59Å; T436-P452 HydrophobicContact CG2-CG 3.89Å; T436-S453 WeakPolarHBondContact OG1-CA 3.43Å; T436-T456 PolarHBondContact OG1-OG1 2.69Å
437	N	94.8	Very high	95.4	Very high	54 Å²	54	32.8 Å²	32.8	29%	0.289	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-64	-16.3	179.8	77.5	-55.5	0	0	0	114.3	T180 S181 D182 E435 L439	T180-N437 PolarHBondContact O-N 2.85Å; S181-N437 VanDerWaalsContact CA-OD1 3.31Å; S181-N437 WeakPolarHBondContact CA-OD1 3.46Å; S181-N437 WeakPolarHBondContact OG-CB 3.35Å; S181-N437 PolarHBondContact OG-ND2 2.03Å; D182-N437 PolarHBondContact N-OD1 3.2Å; E435-N437 VanDerWaalsContact C-N 3.33Å; E435-N437 VanDerWaalsContact CB-OD1 3.26Å; E435-N437 WeakPolarHBondContact CB-OD1 3.45Å; E435-N437 PolarHBondContact O-N 3.32Å; N437-L439 VanDerWaalsContact C-N 3.3Å
438	Y	96	Very high	95.2	Very high	12 Å²	12	36.2 Å²	36.2	5%	0.047	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-76.4	-16.7	171.9	-69.6	-63.9	0	0	0	113.7	D182 F363 V392 W394 W395 A433 E435 T436	D182-Y438 HydrophobicContact CB-CE2 3.88Å; D182-Y438 WeakPolarHBondContact CB-OH 3.29Å; D182-Y438 VanDerWaalsContact CG-OH 3.23Å; D182-Y438 PolarHBondContact OD2-OH 2.9Å; F363-Y438 HydrophobicContact CE1-CD1 4.21Å; F363-Y438 HydrophobicContact CE1-CG 4.04Å; F363-Y438 AromaticContact CZ-CD1 3.78Å; F363-Y438 HydrophobicContact CZ-CD1 3.78Å; F363-Y438 AromaticContact CZ-CD2 3.87Å; F363-Y438 HydrophobicContact CZ-CD2 3.87Å; F363-Y438 HydrophobicContact CZ-CE1 4.33Å; F363-Y438 HydrophobicContact CZ-CE2 4.38Å; F363-Y438 AromaticContact CZ-CG 3.56Å; F363-Y438 HydrophobicContact CZ-CG 3.56Å; V392-Y438 WeakPolarHBondContact CG1-O 3.16Å; W394-Y438 HydrophobicContact CB-CD1 4.04Å; W394-Y438 HydrophobicContact CB-CE1 3.85Å; W395-Y438 AromaticContact CE3-CZ 3.92Å; W395-Y438 HydrophobicContact CZ3-CE2 4.12Å; W395-Y438 AromaticContact CZ3-CZ 3.76Å; W395-Y438 WeakPolarHBondContact CZ3-OH 3.29Å; A433-Y438 HydrophobicContact CB-CD2 4.37Å; A433-Y438 HydrophobicContact CB-CE2 4.09Å; E435-Y438 HydrophobicContact CB-CD2 4.18Å; E435-Y438 HydrophobicContact CB-CE2 4.29Å; E435-Y438 WeakPolarHBondContact OE2-CE2 3.21Å; T436-Y438 PolarHBondContact O-N 3.26Å; T436-Y438 VanDerWaalsContact O-N 3.16Å
439	L	95.1	Very high	95	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.063	19%	0.19	C	C	.	.	S	Bend	trans	-72.9	141.5	170.8	-55.5	-176.8	0	0	0	109.6	V381 I401 T436 N437 F443 F455	V381-L439 HydrophobicContact CG1-CD2 4.34Å; V381-L439 HydrophobicContact CG2-CD2 4.11Å; I401-L439 HydrophobicContact CD1-CD2 4.05Å; I401-L439 HydrophobicContact CG2-CD2 4.06Å; T436-L439 HydrophobicContact CG2-CD1 4.35Å; T436-L439 WeakPolarHBondContact O-CB 3.42Å; T436-L439 PolarHBondContact O-N 2.9Å; N437-L439 VanDerWaalsContact C-N 3.3Å; L439-F443 HydrophobicContact CB-CD1 4.14Å; L439-F443 HydrophobicContact CB-CE1 4.37Å; L439-F443 HydrophobicContact CB-CG 4.47Å; L439-F443 HydrophobicContact CD1-CD1 4.4Å; L439-F443 HydrophobicContact CD1-CD2 4.42Å; L439-F443 HydrophobicContact CD1-CE1 3.97Å; L439-F443 HydrophobicContact CD1-CE2 4.01Å; L439-F443 HydrophobicContact CD1-CZ 3.77Å; L439-F455 HydrophobicContact CD1-CB 3.91Å; L439-F455 HydrophobicContact CD1-CD1 4.42Å; L439-F455 HydrophobicContact CD1-CD2 4.25Å; L439-F455 HydrophobicContact CD1-CG 3.93Å; L439-F455 HydrophobicContact CD2-CD1 4.29Å; L439-F455 HydrophobicContact CD2-CD2 4Å; L439-F455 HydrophobicContact CD2-CE1 4.29Å; L439-F455 HydrophobicContact CD2-CE2 3.98Å; L439-F455 HydrophobicContact CD2-CG 4.16Å; L439-F455 HydrophobicContact CD2-CZ 4.15Å; L439-F455 HydrophobicContact CG-CD1 4.46Å; L439-F455 HydrophobicContact CG-CG 4.38Å
440	P	91.6	Very high	94.6	Very high	37 Å²	37	43.7 Å²	43.7	24%	0.24	22%	0.216	C	C	.	.			trans	-58	148.9	171.2	-15.6	25.1	0	0	0	111.1	A390 V392 Q442 F443	A390-P440 HydrophobicContact CB-CG 3.58Å; V392-P440 HydrophobicContact CG1-CG 4.02Å; P440-Q442 CarbonylContact O-C 3.48Å; P440-Q442 PolarHBondContact O-N 3.46Å; P440-F443 HydrophobicContact CG-CB 4.45Å; P440-F443 WeakPolarHBondContact O-CD1 3.34Å
441	W	87.9	Confident	94.5	Very high	124 Å²	124	44.1 Å²	44.1	47%	0.47	22%	0.218	S	C	.	.	S	Bend	trans	-50	-36	-178.5	-173	-115.9	0	0	0	114	P177 D233	P177-W441 HydrophobicContact CG-CH2 3.67Å; P177-W441 HydrophobicContact CG-CZ3 4.06Å; D233-W441 PolarHBondContact OD1-NE1 3.35Å
442	Q	90	Very high	94.4	Very high	109 Å²	109	44.2 Å²	44.2	51%	0.509	22%	0.219	S	C	.	.	S	Bend	trans	-124.1	129.6	165.8	-57.7	-173.1	32.3	0	0	108.8	P384 P440	P384-Q442 HydrophobicContact CB-CB 4.37Å; P384-Q442 HydrophobicContact CG-CB 3.51Å; P384-Q442 WeakPolarHBondContact CG-O 3.2Å; P440-Q442 CarbonylContact O-C 3.48Å; P440-Q442 PolarHBondContact O-N 3.46Å
443	F	94.4	Very high	94.3	Very high	20 Å²	20	43.8 Å²	43.8	9%	0.088	22%	0.217	C	C	.	.			trans	-144.8	167	-175.1	66.4	-86.9	0	0	0	110.9	P235 V381 R382 L439 P440 T445 L449 P452	P235-F443 HydrophobicContact CB-CE1 4.23Å; V381-F443 HydrophobicContact CG1-CB 3.9Å; V381-F443 HydrophobicContact CG1-CD2 4.05Å; V381-F443 HydrophobicContact CG1-CG 4.33Å; R382-F443 CarbonylContact O-C 3.56Å; R382-F443 WeakPolarHBondContact O-CA 3.27Å; L439-F443 HydrophobicContact CB-CD1 4.14Å; L439-F443 HydrophobicContact CB-CE1 4.37Å; L439-F443 HydrophobicContact CB-CG 4.47Å; L439-F443 HydrophobicContact CD1-CD1 4.4Å; L439-F443 HydrophobicContact CD1-CD2 4.42Å; L439-F443 HydrophobicContact CD1-CE1 3.97Å; L439-F443 HydrophobicContact CD1-CE2 4.01Å; L439-F443 HydrophobicContact CD1-CZ 3.77Å; P440-F443 HydrophobicContact CG-CB 4.45Å; P440-F443 WeakPolarHBondContact O-CD1 3.34Å; F443-T445 HydrophobicContact CD2-CG2 3.96Å; F443-T445 HydrophobicContact CE2-CG2 3.93Å; F443-L449 HydrophobicContact CE2-CB 4.45Å; F443-L449 HydrophobicContact CE2-CD1 4.29Å; F443-L449 HydrophobicContact CZ-CB 4.48Å; F443-P452 HydrophobicContact CE1-CB 4Å; F443-P452 HydrophobicContact CZ-CB 3.82Å
444	S	94.8	Very high	94.3	Very high	39 Å²	39	45.5 Å²	45.5	27%	0.273	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-129.5	145	173.1	-172.7	0	0	0	0	110.7	R382 E383	R382-S444 PolarHBondContact N-O 2.84Å; R382-S444 PolarHBondContact O-N 2.67Å; E383-S444 WeakPolarHBondContact O-CB 3.49Å
445	T	95.9	Very high	94.3	Very high	15 Å²	15	45.5 Å²	45.5	9%	0.092	23%	0.227	C	C	.	.			trans	-135.5	151.5	-174	34.4	0	0	0	0	109.7	V381 T405 F443 T447	V381-T445 HydrophobicContact CG1-CG2 4.39Å; V381-T445 HydrophobicContact CG2-CG2 4.22Å; T405-T445 HydrophobicContact CG2-CG2 3.94Å; F443-T445 HydrophobicContact CD2-CG2 3.96Å; F443-T445 HydrophobicContact CE2-CG2 3.93Å; T445-T447 VanDerWaalsContact C-N 3.28Å; T445-T447 PolarHBondContact O-N 2.89Å; T445-T447 PolarHBondContact OG1-O 2.76Å
446	K	95.3	Very high	94.4	Very high	141 Å²	141	45.5 Å²	45.5	61%	0.613	23%	0.227	S	C	*	.	S	Bend	trans	-57.6	-40.1	-178.4	-178.8	66.9	174.4	-167.8	0	112.3	D403 T405 N406	D403-K446 VanDerWaalsContact OD2-CB 3.28Å; D403-K446 WeakPolarHBondContact OD2-CB 3.35Å; D403-K446 PolarHBondContact OD2-N 3.02Å; T405-K446 PolarHBondContact OG1-N 2.94Å; N406-K446 HydrophobicContact CB-CB 3.65Å; N406-K446 HydrophobicContact CB-CG 3.91Å
447	T	94.3	Very high	94.4	Very high	82 Å²	82	48.5 Å²	48.5	50%	0.503	24%	0.238	S	C	.	.	S	Bend	trans	-114.6	110.3	165.9	-53.5	0	0	0	0	107.9	T405 T445 L449	T405-T447 PolarHBondContact OG1-N 3.18Å; T405-T447 PolarHBondContact OG1-O 3.25Å; T445-T447 VanDerWaalsContact C-N 3.28Å; T445-T447 PolarHBondContact O-N 2.89Å; T445-T447 PolarHBondContact OG1-O 2.76Å; T447-L449 PolarHBondContact O-N 2.87Å
448	P	92.5	Very high	94.6	Very high	97 Å²	97	50.3 Å²	50.3	63%	0.63	24%	0.24	S	C	*	.			trans	-54.7	128.3	-172.9	-29.9	35.7	0	0	0	114.1
449	L	93.4	Very high	94.7	Very high	14 Å²	14	49.8 Å²	49.8	7%	0.073	24%	0.238	C	C	.	.			trans	-85.3	125.6	174	-60.9	-173.1	0	0	0	111.1	T405 F443 T447 T454 F455	T405-L449 HydrophobicContact CG2-CD1 3.99Å; T405-L449 HydrophobicContact CG2-CD2 3.53Å; T405-L449 HydrophobicContact CG2-CG 3.76Å; F443-L449 HydrophobicContact CE2-CB 4.45Å; F443-L449 HydrophobicContact CE2-CD1 4.29Å; F443-L449 HydrophobicContact CZ-CB 4.48Å; T447-L449 PolarHBondContact O-N 2.87Å; L449-T454 HydrophobicContact CD2-CG2 3.83Å; L449-F455 HydrophobicContact CD1-CB 3.85Å
450	R	91.5	Very high	94.8	Very high	144 Å²	144	49.2 Å²	49.2	54%	0.543	24%	0.235	S	C	.	.	S	Bend	trans	-81	-50	170.9	-59.1	177.7	-170.1	-177.9	-1.6	110.6	Y236 K237 N239	Y236-R450 WeakPolarHBondContact CA-O 3.43Å; K237-R450 PolarHBondContact N-O 2.9Å; N239-R450 VanDerWaalsContact OD1-CD 3.3Å; N239-R450 WeakPolarHBondContact OD1-CD 3.21Å; N239-R450 PolarHBondContact OD1-NE 3.05Å; N239-R450 VanDerWaalsContact OD1-NE 3.13Å; N239-R450 PolarHBondContact OD1-NH1 2.97Å
451	D	95.1	Very high	95.1	Very high	12 Å²	12	49.3 Å²	49.3	6%	0.064	23%	0.232	C	C	.	.	S	Bend	trans	-98.8	115.1	166.7	-176.9	-9.3	0	0	0	108.6	R196 Y236 S453 T454 Y476	R196-D451 IonicContact CZ-OD2 2.74Å; R196-D451 VanDerWaalsContact NH2-CG 3.32Å; R196-D451 IonicContact NH2-OD1 2.73Å; R196-D451 IonicContact NH2-OD2 3.91Å; R196-D451 PolarHBondContact NH2-OD2 2.72Å; Y236-D451 HydrophobicContact CE1-CB 4.4Å; D451-S453 PolarHBondContact O-N 2.94Å; D451-S453 VanDerWaalsContact OD1-CB 3.23Å; D451-S453 WeakPolarHBondContact OD1-CB 3.47Å; D451-S453 PolarHBondContact OD1-N 2.98Å; D451-S453 PolarHBondContact OD1-OG 3.14Å; D451-T454 WeakPolarHBondContact O-CB 3.48Å; D451-T454 PolarHBondContact O-N 3.46Å; D451-T454 VanDerWaalsContact O-N 3.1Å; D451-T454 PolarHBondContact O-OG1 3.32Å; D451-Y476 WeakPolarHBondContact OD2-CE1 3.36Å; D451-Y476 VanDerWaalsContact OD2-CZ 3.3Å; D451-Y476 PolarHBondContact OD2-OH 2.99Å
452	P	95.4	Very high	95.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.2	-178.9	33.8	-41.2	0	0	0	112	V179 P235 Y236 T436 F443 T454 F455	V179-P452 HydrophobicContact CG1-CG 3.72Å; P235-P452 HydrophobicContact CB-CB 4.18Å; P235-P452 HydrophobicContact CB-CG 3.92Å; P235-P452 HydrophobicContact CG-CG 3.95Å; Y236-P452 VanDerWaalsContact CD1-CD 3.43Å; Y236-P452 HydrophobicContact CD1-CG 4.42Å; Y236-P452 HydrophobicContact CE1-CG 4.31Å; T436-P452 HydrophobicContact CG2-CB 3.59Å; T436-P452 HydrophobicContact CG2-CG 3.89Å; F443-P452 HydrophobicContact CE1-CB 4Å; F443-P452 HydrophobicContact CZ-CB 3.82Å; P452-T454 PolarHBondContact O-N 2.95Å; P452-T454 VanDerWaalsContact O-N 3.12Å; P452-F455 WeakPolarHBondContact O-CB 3.35Å; P452-F455 PolarHBondContact O-N 3.2Å
453	S	95.9	Very high	95.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.2	175.7	-32.4	0	0	0	0	112.9	T436 D451 F455 T456 R457 Y476	T436-S453 WeakPolarHBondContact OG1-CA 3.43Å; D451-S453 PolarHBondContact O-N 2.94Å; D451-S453 VanDerWaalsContact OD1-CB 3.23Å; D451-S453 WeakPolarHBondContact OD1-CB 3.47Å; D451-S453 PolarHBondContact OD1-N 2.98Å; D451-S453 PolarHBondContact OD1-OG 3.14Å; S453-F455 PolarHBondContact O-N 2.8Å; S453-T456 WeakPolarHBondContact O-CB 3.48Å; S453-T456 PolarHBondContact O-N 2.82Å; S453-R457 PolarHBondContact O-N 2.93Å; S453-Y476 VanDerWaalsContact CB-CE1 3.5Å; S453-Y476 WeakPolarHBondContact O-CD1 3.18Å
454	T	96.3	Very high	96	Very high	36 Å²	36	41.4 Å²	41.4	22%	0.221	20%	0.203	C	C	.	.	H	α-helix	trans	-57.5	-26	166	-49.2	0	0	0	0	111.7	L449 D451 P452 R457 R458	L449-T454 HydrophobicContact CD2-CG2 3.83Å; D451-T454 WeakPolarHBondContact O-CB 3.48Å; D451-T454 PolarHBondContact O-N 3.46Å; D451-T454 VanDerWaalsContact O-N 3.1Å; D451-T454 PolarHBondContact O-OG1 3.32Å; P452-T454 PolarHBondContact O-N 2.95Å; P452-T454 VanDerWaalsContact O-N 3.12Å; T454-R457 WeakPolarHBondContact O-CB 3.42Å; T454-R457 PolarHBondContact O-N 3.03Å; T454-R458 HydrophobicContact CG2-CG 4.42Å; T454-R458 WeakPolarHBondContact O-CG 3.28Å; T454-R458 PolarHBondContact O-N 3.06Å
455	F	97.6	Very high	96.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-51.7	173.2	-179.6	-93.5	0	0	0	111.6	V381 I401 L402 F404 L439 L449 P452 S453 R457 R458 Y459	V381-F455 HydrophobicContact CG2-CE2 4.17Å; I401-F455 HydrophobicContact CD1-CE1 3.67Å; I401-F455 HydrophobicContact CD1-CE2 4.35Å; I401-F455 HydrophobicContact CD1-CZ 3.39Å; I401-F455 HydrophobicContact CG1-CZ 3.81Å; L402-F455 WeakPolarHBondContact O-CE2 3.33Å; F404-F455 AromaticContact CD2-CE2 3.82Å; F404-F455 HydrophobicContact CD2-CE2 3.82Å; F404-F455 AromaticContact CD2-CZ 3.75Å; F404-F455 HydrophobicContact CD2-CZ 3.75Å; F404-F455 HydrophobicContact CE2-CZ 4.16Å; L439-F455 HydrophobicContact CD1-CB 3.91Å; L439-F455 HydrophobicContact CD1-CD1 4.42Å; L439-F455 HydrophobicContact CD1-CD2 4.25Å; L439-F455 HydrophobicContact CD1-CG 3.93Å; L439-F455 HydrophobicContact CD2-CD1 4.29Å; L439-F455 HydrophobicContact CD2-CD2 4Å; L439-F455 HydrophobicContact CD2-CE1 4.29Å; L439-F455 HydrophobicContact CD2-CE2 3.98Å; L439-F455 HydrophobicContact CD2-CG 4.16Å; L439-F455 HydrophobicContact CD2-CZ 4.15Å; L439-F455 HydrophobicContact CG-CD1 4.46Å; L439-F455 HydrophobicContact CG-CG 4.38Å; L449-F455 HydrophobicContact CD1-CB 3.85Å; P452-F455 WeakPolarHBondContact O-CB 3.35Å; P452-F455 PolarHBondContact O-N 3.2Å; S453-F455 PolarHBondContact O-N 2.8Å; F455-R457 VanDerWaalsContact C-N 3.27Å; F455-R457 PolarHBondContact O-N 3.33Å; F455-R458 PolarHBondContact O-N 2.87Å; F455-Y459 PolarHBondContact O-N 3.45Å
456	T	97.9	Very high	96.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55	-43.9	175.2	-57.6	0	0	0	0	111.4	T180 G434 T436 S453 R458 Y459 T460	T180-T456 HydrophobicContact CG2-CG2 4.36Å; T180-T456 PolarHBondContact OG1-OG1 2.99Å; G434-T456 VanDerWaalsContact O-CA 3.24Å; G434-T456 WeakPolarHBondContact O-CA 3.1Å; G434-T456 VanDerWaalsContact O-CB 3.31Å; G434-T456 WeakPolarHBondContact O-CB 3.33Å; G434-T456 PolarHBondContact O-OG1 3.06Å; T436-T456 PolarHBondContact OG1-OG1 2.69Å; S453-T456 WeakPolarHBondContact O-CB 3.48Å; S453-T456 PolarHBondContact O-N 2.82Å; T456-R458 PolarHBondContact O-N 3.49Å; T456-Y459 PolarHBondContact O-N 2.96Å; T456-T460 HydrophobicContact CG2-CG2 4.26Å; T456-T460 WeakPolarHBondContact O-CB 3.29Å; T456-T460 VanDerWaalsContact O-CG2 3.24Å; T456-T460 WeakPolarHBondContact O-CG2 3.18Å; T456-T460 PolarHBondContact O-N 3.43Å; T456-T460 PolarHBondContact O-OG1 2.67Å
457	R	97.3	Very high	96.1	Very high	70 Å²	70	37.1 Å²	37.1	26%	0.264	19%	0.187	S	C	.	.	H	α-helix	trans	-59.7	-44.1	174.1	-173.8	-175.4	161.2	154.8	5.4	112.7	S453 T454 F455 Y459 T460 E461 Y476	S453-R457 PolarHBondContact O-N 2.93Å; T454-R457 WeakPolarHBondContact O-CB 3.42Å; T454-R457 PolarHBondContact O-N 3.03Å; F455-R457 VanDerWaalsContact C-N 3.27Å; F455-R457 PolarHBondContact O-N 3.33Å; R457-Y459 VanDerWaalsContact C-N 3.33Å; R457-Y459 PolarHBondContact O-N 3.08Å; R457-T460 WeakPolarHBondContact CA-OG1 3.24Å; R457-T460 PolarHBondContact O-OG1 3.49Å; R457-E461 IonicContact CZ-OE1 4Å; R457-E461 IonicContact NE-OE1 2.67Å; R457-E461 PolarHBondContact NE-OE1 3.08Å; R457-E461 IonicContact NH2-OE1 3.95Å; R457-E461 WeakPolarHBondContact O-CB 3.44Å; R457-E461 VanDerWaalsContact O-CG 3.22Å; R457-E461 WeakPolarHBondContact O-CG 3.41Å; R457-E461 PolarHBondContact O-N 3.26Å; R457-Y476 WeakPolarHBondContact CB-O 3.29Å
458	R	97.9	Very high	96.2	Very high	92 Å²	92	38.5 Å²	38.5	35%	0.347	19%	0.188	S	C	.	.	H	α-helix	trans	-69.5	-29.5	178.6	-67.2	-50.5	-172.9	-171.9	-1	113.3	F404 T454 F455 T456 E461	F404-R458 HydrophobicContact CB-CB 3.64Å; T454-R458 HydrophobicContact CG2-CG 4.42Å; T454-R458 WeakPolarHBondContact O-CG 3.28Å; T454-R458 PolarHBondContact O-N 3.06Å; F455-R458 PolarHBondContact O-N 2.87Å; T456-R458 PolarHBondContact O-N 3.49Å; R458-E461 WeakPolarHBondContact CD-OE2 3.42Å; R458-E461 IonicContact CZ-OE2 3.51Å; R458-E461 IonicContact NE-OE2 3.14Å; R458-E461 IonicContact NH1-OE1 3.65Å; R458-E461 PolarHBondContact NH1-OE1 3.35Å; R458-E461 IonicContact NH1-OE2 3.82Å; R458-E461 PolarHBondContact NH1-OE2 3.21Å
459	Y	98.4	Very high	96.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-71.6	-50.9	172.6	178.7	-114.6	0	0	0	111.6	P362 F404 F413 L431 D432 G434 F455 T456 R457 E461 M462	P362-Y459 HydrophobicContact CB-CD2 4.07Å; P362-Y459 HydrophobicContact CB-CE2 3.86Å; P362-Y459 HydrophobicContact CG-CE2 4.34Å; F404-Y459 HydrophobicContact CD1-CD2 4.41Å; F404-Y459 HydrophobicContact CD2-CD2 4.12Å; F404-Y459 AromaticContact CE1-CD2 3.94Å; F404-Y459 HydrophobicContact CE1-CD2 3.94Å; F404-Y459 AromaticContact CE2-CD2 3.61Å; F404-Y459 HydrophobicContact CE2-CD2 3.61Å; F404-Y459 HydrophobicContact CE2-CE2 4.32Å; F404-Y459 HydrophobicContact CE2-CG 4.47Å; F404-Y459 AromaticContact CZ-CD2 3.52Å; F404-Y459 HydrophobicContact CZ-CD2 3.52Å; F404-Y459 AromaticContact CZ-CE2 3.96Å; F404-Y459 HydrophobicContact CZ-CE2 3.96Å; F413-Y459 HydrophobicContact CZ-CE2 4.37Å; L431-Y459 WeakPolarHBondContact CA-OH 3.42Å; L431-Y459 HydrophobicContact CB-CE1 4.08Å; L431-Y459 WeakPolarHBondContact CB-OH 3.18Å; L431-Y459 HydrophobicContact CD2-CE2 4.33Å; D432-Y459 PolarHBondContact O-OH 3.4Å; G434-Y459 VanDerWaalsContact CA-CD1 3.41Å; F455-Y459 PolarHBondContact O-N 3.45Å; T456-Y459 PolarHBondContact O-N 2.96Å; R457-Y459 VanDerWaalsContact C-N 3.33Å; R457-Y459 PolarHBondContact O-N 3.08Å; Y459-E461 VanDerWaalsContact C-N 3.26Å; Y459-E461 PolarHBondContact O-N 2.88Å; Y459-M462 WeakPolarHBondContact O-CB 3.23Å; Y459-M462 VanDerWaalsContact O-CG 3.29Å; Y459-M462 WeakPolarHBondContact O-CG 3.19Å; Y459-M462 PolarHBondContact O-N 2.72Å
460	T	97.6	Very high	96.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-35.7	179	53.7	0	0	0	0	112.3	T456 R457 M462 A463 L472 S474 I481	T456-T460 HydrophobicContact CG2-CG2 4.26Å; T456-T460 WeakPolarHBondContact O-CB 3.29Å; T456-T460 VanDerWaalsContact O-CG2 3.24Å; T456-T460 WeakPolarHBondContact O-CG2 3.18Å; T456-T460 PolarHBondContact O-N 3.43Å; T456-T460 PolarHBondContact O-OG1 2.67Å; R457-T460 WeakPolarHBondContact CA-OG1 3.24Å; R457-T460 PolarHBondContact O-OG1 3.49Å; T460-M462 PolarHBondContact O-N 2.93Å; T460-A463 WeakPolarHBondContact O-CB 3.39Å; T460-A463 PolarHBondContact O-N 2.9Å; T460-L472 HydrophobicContact CG2-CD1 4.17Å; T460-L472 HydrophobicContact CG2-CD2 4Å; T460-S474 WeakPolarHBondContact CG2-O 3.31Å; T460-I481 VanDerWaalsContact C-CD1 3.44Å; T460-I481 WeakPolarHBondContact O-CD1 3.18Å
461	E	97.7	Very high	96.7	Very high	39 Å²	39	28.1 Å²	28.1	18%	0.182	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-54.9	-22.9	172.4	-80.1	170	-175.8	0	0	113.3	R457 R458 Y459 A463 I464 I481	R457-E461 IonicContact CZ-OE1 4Å; R457-E461 IonicContact NE-OE1 2.67Å; R457-E461 PolarHBondContact NE-OE1 3.08Å; R457-E461 IonicContact NH2-OE1 3.95Å; R457-E461 WeakPolarHBondContact O-CB 3.44Å; R457-E461 VanDerWaalsContact O-CG 3.22Å; R457-E461 WeakPolarHBondContact O-CG 3.41Å; R457-E461 PolarHBondContact O-N 3.26Å; R458-E461 WeakPolarHBondContact CD-OE2 3.42Å; R458-E461 IonicContact CZ-OE2 3.51Å; R458-E461 IonicContact NE-OE2 3.14Å; R458-E461 IonicContact NH1-OE1 3.65Å; R458-E461 PolarHBondContact NH1-OE1 3.35Å; R458-E461 IonicContact NH1-OE2 3.82Å; R458-E461 PolarHBondContact NH1-OE2 3.21Å; Y459-E461 VanDerWaalsContact C-N 3.26Å; Y459-E461 PolarHBondContact O-N 2.88Å; E461-A463 VanDerWaalsContact C-N 3.28Å; E461-A463 PolarHBondContact O-N 2.68Å; E461-I464 HydrophobicContact CB-CD1 4.23Å; E461-I464 HydrophobicContact CG-CD1 4.23Å; E461-I464 WeakPolarHBondContact O-CB 3.35Å; E461-I464 WeakPolarHBondContact O-CD1 3.18Å; E461-I464 VanDerWaalsContact O-CG1 3.31Å; E461-I464 WeakPolarHBondContact O-CG1 3.38Å; E461-I464 PolarHBondContact O-N 3.4Å; E461-I481 HydrophobicContact CG-CD1 4.22Å
462	M	98	Very high	96.9	Very high	21 Å²	21	27.5 Å²	27.5	10%	0.103	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-70.4	-18.9	176.1	-56.2	-53.4	-62.9	0	0	113.9	F404 R410 F413 A414 L431 Y459 T460 I464 P465	F404-M462 HydrophobicContact CD1-CG 3.64Å; F404-M462 HydrophobicContact CD1-SD 4.06Å; F404-M462 HydrophobicContact CE1-CG 3.76Å; F404-M462 HydrophobicContact CE1-SD 4.47Å; R410-M462 HydrophobicContact CB-CE 3.92Å; R410-M462 HydrophobicContact CB-SD 3.88Å; R410-M462 HydrophobicContact CG-CE 4.46Å; R410-M462 HydrophobicContact CG-SD 3.81Å; R410-M462 WeakPolarHBondContact O-CE 3.23Å; F413-M462 HydrophobicContact CD1-CB 4.37Å; F413-M462 HydrophobicContact CD1-CE 4.05Å; F413-M462 HydrophobicContact CD1-CG 4.34Å; F413-M462 HydrophobicContact CE1-CB 4.29Å; A414-M462 HydrophobicContact CB-CE 3.78Å; L431-M462 HydrophobicContact CD2-CB 4.21Å; Y459-M462 WeakPolarHBondContact O-CB 3.23Å; Y459-M462 VanDerWaalsContact O-CG 3.29Å; Y459-M462 WeakPolarHBondContact O-CG 3.19Å; Y459-M462 PolarHBondContact O-N 2.72Å; T460-M462 PolarHBondContact O-N 2.93Å; M462-I464 VanDerWaalsContact C-N 3.34Å; M462-P465 WeakPolarHBondContact O-CD 3.12Å
463	A	97.4	Very high	96.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-78	-16.2	176.9	0	0	0	0	0	113.6	L431 T460 E461 P465 Y466 N467 A470 L472	L431-A463 HydrophobicContact CD1-CB 3.93Å; L431-A463 HydrophobicContact CD2-CB 4.09Å; T460-A463 WeakPolarHBondContact O-CB 3.39Å; T460-A463 PolarHBondContact O-N 2.9Å; E461-A463 VanDerWaalsContact C-N 3.28Å; E461-A463 PolarHBondContact O-N 2.68Å; A463-P465 VanDerWaalsContact C-CD 3.45Å; A463-Y466 CarbonylContact O-C 3.55Å; A463-Y466 WeakPolarHBondContact O-CA 3.23Å; A463-Y466 PolarHBondContact O-N 2.87Å; A463-N467 PolarHBondContact O-N 3.19Å; A463-N467 VanDerWaalsContact O-N 3.07Å; A463-A470 HydrophobicContact CB-CB 4.22Å; A463-L472 HydrophobicContact CB-CD1 4.14Å; A463-L472 HydrophobicContact CB-CD2 4.01Å; A463-L472 HydrophobicContact CB-CG 4.19Å
464	I	96.9	Very high	97	Very high	67 Å²	67	27.7 Å²	27.7	34%	0.344	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-51	-41.8	-174.1	-67.1	171.7	0	0	0	113.7	E461 M462 Y466 N467 I481	E461-I464 HydrophobicContact CB-CD1 4.23Å; E461-I464 HydrophobicContact CG-CD1 4.23Å; E461-I464 WeakPolarHBondContact O-CB 3.35Å; E461-I464 WeakPolarHBondContact O-CD1 3.18Å; E461-I464 VanDerWaalsContact O-CG1 3.31Å; E461-I464 WeakPolarHBondContact O-CG1 3.38Å; E461-I464 PolarHBondContact O-N 3.4Å; M462-I464 VanDerWaalsContact C-N 3.34Å; I464-Y466 PolarHBondContact O-N 3.19Å; I464-N467 PolarHBondContact O-ND2 3.44Å; I464-N467 PolarHBondContact O-OD1 2.93Å; I464-I481 HydrophobicContact CD1-CG1 4.41Å; I464-I481 HydrophobicContact CG1-CG1 4.3Å; I464-I481 HydrophobicContact CG1-CG2 4.19Å
465	P	96.8	Very high	97.1	Very high	83 Å²	83	26 Å²	26	54%	0.539	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-70	-8.5	178	-19.6	34.3	0	0	0	115.6	M462 A463	M462-P465 WeakPolarHBondContact O-CD 3.12Å; A463-P465 VanDerWaalsContact C-CD 3.45Å
466	Y	96.4	Very high	97.1	Very high	10 Å²	10	26 Å²	26	4%	0.039	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-125.6	3.3	-172.8	-47.7	-68.9	0	0	0	112.8	L417 R418 S428 F429 A463 I464 E468 R469 A470	L417-Y466 HydrophobicContact CB-CE2 4.11Å; L417-Y466 WeakPolarHBondContact CB-OH 3.4Å; L417-Y466 HydrophobicContact CD1-CE2 3.96Å; R418-Y466 PolarHBondContact N-OH 3.46Å; S428-Y466 PolarHBondContact OG-O 3.29Å; F429-Y466 AromaticContact CD2-CD1 3.95Å; F429-Y466 HydrophobicContact CD2-CD1 3.95Å; F429-Y466 AromaticContact CD2-CD2 3.82Å; F429-Y466 HydrophobicContact CD2-CD2 3.82Å; F429-Y466 HydrophobicContact CD2-CE1 4.22Å; F429-Y466 HydrophobicContact CD2-CE2 4.07Å; F429-Y466 AromaticContact CD2-CG 3.75Å; F429-Y466 HydrophobicContact CD2-CG 3.75Å; F429-Y466 AromaticContact CE2-CD1 3.81Å; F429-Y466 HydrophobicContact CE2-CD1 3.81Å; F429-Y466 HydrophobicContact CE2-CD2 4.22Å; F429-Y466 AromaticContact CE2-CE1 3.69Å; F429-Y466 HydrophobicContact CE2-CE1 3.69Å; F429-Y466 HydrophobicContact CE2-CE2 4.1Å; F429-Y466 HydrophobicContact CE2-CG 4.08Å; F429-Y466 AromaticContact CE2-CZ 3.84Å; A463-Y466 CarbonylContact O-C 3.55Å; A463-Y466 WeakPolarHBondContact O-CA 3.23Å; A463-Y466 PolarHBondContact O-N 2.87Å; I464-Y466 PolarHBondContact O-N 3.19Å; Y466-E468 PolarHBondContact O-N 3.48Å; Y466-R469 PolarHBondContact O-N 3.14Å; Y466-R469 VanDerWaalsContact O-N 3.17Å; Y466-A470 WeakPolarHBondContact O-CB 3.44Å; Y466-A470 PolarHBondContact O-N 2.87Å
467	N	94.8	Very high	97	Very high	11 Å²	11	27.8 Å²	27.8	6%	0.059	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-12.5	-166.9	66.2	-0.5	0	0	0	116.4	K275 A463 I464 R469 S482 C483	K275-N467 WeakPolarHBondContact CE-OD1 3.26Å; K275-N467 PolarHBondContact NZ-OD1 3.12Å; A463-N467 PolarHBondContact O-N 3.19Å; A463-N467 VanDerWaalsContact O-N 3.07Å; I464-N467 PolarHBondContact O-ND2 3.44Å; I464-N467 PolarHBondContact O-OD1 2.93Å; N467-R469 PolarHBondContact O-N 2.78Å; N467-S482 WeakPolarHBondContact CB-O 3.43Å; N467-C483 VanDerWaalsContact CA-SG 3.56Å; N467-C483 WeakPolarHBondContact CB-SG 3.38Å
468	E	94.6	Very high	97	Very high	112 Å²	112	24.5 Å²	24.5	52%	0.523	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.7	172.1	-63.1	-171.2	169	0	0	113.2	K275 S278 Y466	K275-E468 IonicContact NZ-OE1 2.65Å; S278-E468 WeakPolarHBondContact CA-O 3.49Å; S278-E468 WeakPolarHBondContact CB-O 3.31Å; S278-E468 PolarHBondContact N-O 2.88Å; Y466-E468 PolarHBondContact O-N 3.48Å
469	R	96.7	Very high	96.9	Very high	32 Å²	32	20.3 Å²	20.3	12%	0.121	10%	0.102	C	C	.	.	S	Bend	trans	-145.5	17.5	-176.7	-58.7	177.1	166.8	-81.8	15.1	113	A280 M281 S317 S428 Y466 N467	A280-R469 VanDerWaalsContact CB-NH2 3.29Å; M281-R469 HydrophobicContact CG-CG 4.28Å; M281-R469 HydrophobicContact SD-CB 3.9Å; M281-R469 HydrophobicContact SD-CG 4.08Å; S317-R469 VanDerWaalsContact O-CZ 3.23Å; S317-R469 PolarHBondContact O-NH1 2.86Å; S317-R469 PolarHBondContact O-NH2 3.45Å; S317-R469 PolarHBondContact OG-NH1 3.19Å; S428-R469 PolarHBondContact OG-O 3.01Å; Y466-R469 PolarHBondContact O-N 3.14Å; Y466-R469 VanDerWaalsContact O-N 3.17Å; N467-R469 PolarHBondContact O-N 2.78Å
470	A	96.8	Very high	96.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.			trans	-84.2	144.8	-178.9	0	0	0	0	0	110.7	S428 F429 L431 A463 Y466 F484	S428-A470 VanDerWaalsContact OG-CA 3.27Å; S428-A470 WeakPolarHBondContact OG-CA 3.42Å; S428-A470 WeakPolarHBondContact OG-CB 3.49Å; S428-A470 PolarHBondContact OG-N 3.19Å; S428-A470 VanDerWaalsContact OG-N 3.12Å; F429-A470 WeakPolarHBondContact O-CA 3.2Å; L431-A470 HydrophobicContact CD1-CB 4.49Å; A463-A470 HydrophobicContact CB-CB 4.22Å; Y466-A470 WeakPolarHBondContact O-CB 3.44Å; Y466-A470 PolarHBondContact O-N 2.87Å; A470-F484 PolarHBondContact O-N 3.22Å
471	E	96.4	Very high	96.7	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.019	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.8	174.7	-167.9	-163	104.5	0	0	109.3	F429 K430 L431 F484 R486 L519 Q558	F429-E471 PolarHBondContact O-N 3.27Å; K430-E471 HydrophobicContact CB-CB 4.25Å; K430-E471 WeakPolarHBondContact CD-OE1 3.25Å; K430-E471 VanDerWaalsContact CE-OE1 3.26Å; K430-E471 WeakPolarHBondContact CE-OE1 3.48Å; K430-E471 HydrophobicContact CG-CB 4.29Å; K430-E471 WeakPolarHBondContact CG-OE1 3.41Å; L431-E471 PolarHBondContact N-O 3.1Å; E471-F484 CarbonylContact C-O 3.57Å; E471-F484 WeakPolarHBondContact CA-O 3.43Å; E471-R486 HydrophobicContact CG-CB 3.93Å; E471-R486 VanDerWaalsContact OE1-CD 3.26Å; E471-R486 WeakPolarHBondContact OE1-CD 3.36Å; E471-R486 IonicContact OE1-CZ 3.29Å; E471-R486 IonicContact OE1-NE 3.7Å; E471-R486 PolarHBondContact OE1-NE 2.87Å; E471-R486 IonicContact OE2-NE 2.76Å; E471-L519 HydrophobicContact CG-CD2 3.96Å; E471-L519 WeakPolarHBondContact OE2-CD2 3.08Å; E471-Q558 PolarHBondContact OE2-NE2 3.46Å
472	L	97.8	Very high	96.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	128.5	175.3	-73.9	169.1	0	0	0	110.1	L431 T460 A463 I481 C483 F484 F485 R486	L431-L472 HydrophobicContact CB-CD2 3.71Å; L431-L472 HydrophobicContact CD2-CD2 4.37Å; L431-L472 HydrophobicContact CG-CD2 4.49Å; T460-L472 HydrophobicContact CG2-CD1 4.17Å; T460-L472 HydrophobicContact CG2-CD2 4Å; A463-L472 HydrophobicContact CB-CD1 4.14Å; A463-L472 HydrophobicContact CB-CD2 4.01Å; A463-L472 HydrophobicContact CB-CG 4.19Å; L472-I481 HydrophobicContact CD1-CG2 3.99Å; L472-C483 HydrophobicContact CD1-CB 3.9Å; L472-C483 HydrophobicContact CG-CB 4.36Å; L472-F484 PolarHBondContact N-O 3.32Å; L472-F485 HydrophobicContact CB-CD1 3.93Å; L472-F485 HydrophobicContact CB-CE1 4Å; L472-F485 HydrophobicContact CD1-CE1 3.81Å; L472-F485 HydrophobicContact CD1-CE2 4.43Å; L472-F485 HydrophobicContact CD1-CZ 3.76Å; L472-F485 CarbonylContact O-C 3.47Å; L472-F485 VanDerWaalsContact O-CA 3.28Å; L472-F485 WeakPolarHBondContact O-CA 3.24Å; L472-R486 PolarHBondContact O-N 2.94Å
473	R	96.9	Very high	96.5	Very high	5 Å²	5	19.7 Å²	19.7	2%	0.019	10%	0.101	C	C	.	.	S	Bend	trans	-82.3	-26.7	173.5	179.3	178	175.4	150	2	113.8	D182 L431 D432 E435 I488 D489	D182-R473 IonicContact OD1-CZ 2.7Å; D182-R473 IonicContact OD1-NH2 3.36Å; D182-R473 PolarHBondContact OD1-NH2 2.58Å; L431-R473 PolarHBondContact O-N 2.85Å; D432-R473 WeakPolarHBondContact OD1-CD 3.28Å; D432-R473 IonicContact OD1-CZ 2.8Å; D432-R473 IonicContact OD1-NE 2.95Å; D432-R473 IonicContact OD1-NH1 3.33Å; D432-R473 PolarHBondContact OD1-NH1 3.34Å; D432-R473 IonicContact OD2-NH1 2.89Å; E435-R473 IonicContact OE1-NE 3.92Å; E435-R473 PolarHBondContact OE1-NE 3.23Å; R473-I488 HydrophobicContact CG-CG1 4.03Å; R473-D489 IonicContact CZ-OD1 3.92Å; R473-D489 IonicContact NH1-OD1 2.95Å; R473-D489 PolarHBondContact NH1-OD1 2.81Å
474	S	97.6	Very high	96.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.			trans	-118.7	152.6	-172.5	59.5	0	0	0	0	112.8	G192 A433 T460 F485	G192-S474 CarbonylContact O-C 3.6Å; G192-S474 WeakPolarHBondContact O-CA 3.35Å; G192-S474 WeakPolarHBondContact O-CB 3.22Å; A433-S474 WeakPolarHBondContact O-CB 3.28Å; A433-S474 PolarHBondContact O-OG 3.33Å; T460-S474 WeakPolarHBondContact CG2-O 3.31Å; S474-F485 WeakPolarHBondContact O-CE1 2.98Å
475	G	97.3	Very high	96.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-158.4	129	-175.5	0	0	0	0	0	114.2	G192 L194 S478	G192-G475 PolarHBondContact O-N 2.99Å; L194-G475 PolarHBondContact N-O 3.33Å; G475-S478 VanDerWaalsContact CA-OG 3.31Å; G475-S478 WeakPolarHBondContact CA-OG 3.32Å
476	Y	97.6	Very high	96.6	Very high	1 Å²	1	12.8 Å²	12.8	0%	0.004	6%	0.06	C	C	.	.	S	Bend	trans	-153.7	119.2	170.5	-178	-111.9	0	0	0	110.2	L194 R196 D451 S453 R457 S478 Y515	L194-Y476 HydrophobicContact CD1-CD2 3.59Å; L194-Y476 HydrophobicContact CD1-CE2 3.82Å; R196-Y476 PolarHBondContact NE-OH 2.98Å; R196-Y476 PolarHBondContact NH2-OH 2.89Å; D451-Y476 WeakPolarHBondContact OD2-CE1 3.36Å; D451-Y476 VanDerWaalsContact OD2-CZ 3.3Å; D451-Y476 PolarHBondContact OD2-OH 2.99Å; S453-Y476 VanDerWaalsContact CB-CE1 3.5Å; S453-Y476 WeakPolarHBondContact O-CD1 3.18Å; R457-Y476 WeakPolarHBondContact CB-O 3.29Å; Y476-S478 PolarHBondContact N-OG 3.42Å; Y476-S478 PolarHBondContact O-N 3.02Å; Y476-S478 VanDerWaalsContact O-N 3.13Å; Y476-Y515 PolarHBondContact N-OH 3.28Å
477	Q	96.7	Very high	96.5	Very high	36 Å²	36	12.3 Å²	12.3	17%	0.168	6%	0.058	C	C	.	.	S	Bend	trans	52.1	24	-171.8	-52	-165.9	-45.1	0	0	115	E195 D210 N271 Y515	E195-Q477 WeakPolarHBondContact OE1-CA 3.26Å; E195-Q477 PolarHBondContact OE1-N 2.73Å; D210-Q477 PolarHBondContact OD1-NE2 2.67Å; D210-Q477 PolarHBondContact OD2-NE2 3.12Å; N271-Q477 PolarHBondContact ND2-O 3.4Å; Q477-Y515 PolarHBondContact N-OH 2.64Å
478	S	96.6	Very high	96.5	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.007	6%	0.055	C	C	.	.			trans	-106.4	14.6	-168.2	38.6	0	0	0	0	113.9	G475 Y476 N480 I481 Y515	G475-S478 VanDerWaalsContact CA-OG 3.31Å; G475-S478 WeakPolarHBondContact CA-OG 3.32Å; Y476-S478 PolarHBondContact N-OG 3.42Å; Y476-S478 PolarHBondContact O-N 3.02Å; Y476-S478 VanDerWaalsContact O-N 3.13Å; S478-N480 PolarHBondContact O-N 2.89Å; S478-I481 VanDerWaalsContact O-CB 3.3Å; S478-I481 WeakPolarHBondContact O-CB 3.31Å; S478-I481 WeakPolarHBondContact O-CG1 3.5Å; S478-I481 PolarHBondContact O-N 2.81Å; S478-Y515 PolarHBondContact N-OH 2.82Å; S478-Y515 WeakPolarHBondContact OG-CE1 3.26Å; S478-Y515 PolarHBondContact OG-OH 2.74Å
479	Q	96.3	Very high	96.3	Very high	5 Å²	5	6.7 Å²	6.7	2%	0.023	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-21	179.6	-61.1	81.2	-0.5	0	0	113.7	E195 N271 K272 P273 I481 L513 G514 Y515	E195-Q479 VanDerWaalsContact CG-NE2 3.34Å; E195-Q479 PolarHBondContact OE1-NE2 2.88Å; N271-Q479 HydrophobicContact CB-CB 4.42Å; N271-Q479 WeakPolarHBondContact O-CB 3.26Å; K272-Q479 CarbonylContact C-O 3.5Å; P273-Q479 WeakPolarHBondContact CA-O 3.03Å; P273-Q479 WeakPolarHBondContact CD-O 3.36Å; P273-Q479 WeakPolarHBondContact CG-O 3.49Å; Q479-I481 PolarHBondContact O-N 3.25Å; Q479-L513 PolarHBondContact NE2-O 3.44Å; Q479-G514 WeakPolarHBondContact CG-O 3.47Å; Q479-Y515 HydrophobicContact CG-CD1 4.26Å; Q479-Y515 HydrophobicContact CG-CD2 4.28Å; Q479-Y515 HydrophobicContact CG-CE1 4.03Å; Q479-Y515 HydrophobicContact CG-CE2 4.06Å; Q479-Y515 HydrophobicContact CG-CG 4.37Å; Q479-Y515 VanDerWaalsContact NE2-CE2 3.29Å; Q479-Y515 PolarHBondContact NE2-OH 2.99Å
480	N	95.9	Very high	96.2	Very high	44 Å²	44	5.2 Å²	5.2	24%	0.235	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-13.5	173.7	61.9	-58.4	0	0	0	114.4	N271 K272 S478 S482	N271-N480 HydrophobicContact CB-CB 3.9Å; K272-N480 VanDerWaalsContact O-CA 3.31Å; K272-N480 WeakPolarHBondContact O-CA 3.34Å; S478-N480 PolarHBondContact O-N 2.89Å; N480-S482 PolarHBondContact O-N 3.18Å
481	I	95.9	Very high	96.1	Very high	3 Å²	3	5.3 Å²	5.3	2%	0.015	3%	0.026	C	C	.	.	S	Bend	trans	-83.5	103.9	-178.5	-55.8	-176.4	0	0	0	107.4	T460 E461 I464 L472 S478 Q479 C483 F485	T460-I481 VanDerWaalsContact C-CD1 3.44Å; T460-I481 WeakPolarHBondContact O-CD1 3.18Å; E461-I481 HydrophobicContact CG-CD1 4.22Å; I464-I481 HydrophobicContact CD1-CG1 4.41Å; I464-I481 HydrophobicContact CG1-CG1 4.3Å; I464-I481 HydrophobicContact CG1-CG2 4.19Å; L472-I481 HydrophobicContact CD1-CG2 3.99Å; S478-I481 VanDerWaalsContact O-CB 3.3Å; S478-I481 WeakPolarHBondContact O-CB 3.31Å; S478-I481 WeakPolarHBondContact O-CG1 3.5Å; S478-I481 PolarHBondContact O-N 2.81Å; Q479-I481 PolarHBondContact O-N 3.25Å; I481-C483 HydrophobicContact CG2-CB 4.12Å; I481-C483 WeakPolarHBondContact CG2-SG 3.33Å; I481-C483 PolarHBondContact O-N 3.5Å; I481-F485 HydrophobicContact CB-CZ 4.41Å; I481-F485 WeakPolarHBondContact O-CE2 2.9Å
482	S	95.5	Very high	96	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.03	C	C	.	.			trans	-71.3	50.8	-179	-47.7	0	0	0	0	113.2	N274 K275 N467 N480	N274-S482 PolarHBondContact N-OG 2.94Å; N274-S482 PolarHBondContact OD1-OG 3.4Å; K275-S482 PolarHBondContact N-OG 3.39Å; K275-S482 VanDerWaalsContact O-CB 3.24Å; K275-S482 WeakPolarHBondContact O-CB 3.11Å; K275-S482 PolarHBondContact O-OG 3.13Å; N467-S482 WeakPolarHBondContact CB-O 3.43Å; N480-S482 PolarHBondContact O-N 3.18Å
483	C	96	Very high	95.9	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	-107.8	168.7	174.2	-67.9	0	0	0	0	110	N467 L472 I481 F517	N467-C483 VanDerWaalsContact CA-SG 3.56Å; N467-C483 WeakPolarHBondContact CB-SG 3.38Å; L472-C483 HydrophobicContact CD1-CB 3.9Å; L472-C483 HydrophobicContact CG-CB 4.36Å; I481-C483 HydrophobicContact CG2-CB 4.12Å; I481-C483 WeakPolarHBondContact CG2-SG 3.33Å; I481-C483 PolarHBondContact O-N 3.5Å; C483-F517 WeakPolarHBondContact O-CB 3.21Å
484	F	97.8	Very high	96	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	134.7	163.3	-87.6	-100.3	0	0	0	110.5	P277 M281 F282 A470 E471 L472 F517 L519 P555 S556	P277-F484 HydrophobicContact CB-CD2 4.14Å; P277-F484 HydrophobicContact CB-CE2 3.88Å; P277-F484 HydrophobicContact CG-CD2 4.1Å; P277-F484 HydrophobicContact CG-CE2 3.93Å; M281-F484 HydrophobicContact CB-CD2 3.99Å; M281-F484 HydrophobicContact CB-CE2 3.35Å; M281-F484 HydrophobicContact CB-CZ 3.85Å; M281-F484 HydrophobicContact CE-CB 4.29Å; M281-F484 HydrophobicContact CE-CD2 3.73Å; M281-F484 HydrophobicContact CE-CE2 4.3Å; M281-F484 HydrophobicContact CE-CG 4.06Å; M281-F484 HydrophobicContact CG-CD2 4.24Å; M281-F484 HydrophobicContact CG-CE2 4.02Å; F282-F484 HydrophobicContact CD1-CE1 4.47Å; F282-F484 HydrophobicContact CD1-CE2 4.46Å; F282-F484 AromaticContact CD1-CZ 3.62Å; F282-F484 HydrophobicContact CD1-CZ 3.62Å; F282-F484 HydrophobicContact CD2-CE2 4.25Å; F282-F484 HydrophobicContact CD2-CZ 4.14Å; F282-F484 HydrophobicContact CE1-CE1 4.25Å; F282-F484 HydrophobicContact CE1-CE2 4.08Å; F282-F484 AromaticContact CE1-CZ 3.41Å; F282-F484 HydrophobicContact CE1-CZ 3.41Å; F282-F484 VanDerWaalsContact CE1-CZ 3.41Å; F282-F484 AromaticContact CE2-CE2 3.82Å; F282-F484 HydrophobicContact CE2-CE2 3.82Å; F282-F484 AromaticContact CE2-CZ 3.93Å; F282-F484 HydrophobicContact CE2-CZ 3.93Å; F282-F484 HydrophobicContact CG-CZ 4.01Å; F282-F484 AromaticContact CZ-CE2 3.74Å; F282-F484 HydrophobicContact CZ-CE2 3.74Å; F282-F484 AromaticContact CZ-CZ 3.58Å; F282-F484 HydrophobicContact CZ-CZ 3.58Å; A470-F484 PolarHBondContact O-N 3.22Å; E471-F484 CarbonylContact C-O 3.57Å; E471-F484 WeakPolarHBondContact CA-O 3.43Å; L472-F484 PolarHBondContact N-O 3.32Å; F484-F517 CarbonylContact C-O 3.56Å; F484-F517 VanDerWaalsContact CA-O 3.32Å; F484-F517 WeakPolarHBondContact CA-O 3.31Å; F484-F517 HydrophobicContact CD1-CB 4.38Å; F484-F517 HydrophobicContact CD2-CB 4.38Å; F484-F517 HydrophobicContact CE1-CB 4.48Å; F484-F517 HydrophobicContact CE2-CB 4.48Å; F484-F517 HydrophobicContact CG-CB 4.34Å; F484-L519 HydrophobicContact CB-CB 4.39Å; F484-L519 HydrophobicContact CD1-CB 4.06Å; F484-P555 HydrophobicContact CE1-CB 4.38Å; F484-S556 VanDerWaalsContact CE1-CB 3.49Å
485	F	98	Very high	96	Very high	4 Å²	4	11.2 Å²	11.2	2%	0.018	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.6	171.6	-71.8	-95.6	0	0	0	109.1	I193 L472 S474 I481 Y515 F517 I518 L519	I193-F485 HydrophobicContact CD1-CB 3.94Å; I193-F485 HydrophobicContact CD1-CD1 4.27Å; L472-F485 HydrophobicContact CB-CD1 3.93Å; L472-F485 HydrophobicContact CB-CE1 4Å; L472-F485 HydrophobicContact CD1-CE1 3.81Å; L472-F485 HydrophobicContact CD1-CE2 4.43Å; L472-F485 HydrophobicContact CD1-CZ 3.76Å; L472-F485 CarbonylContact O-C 3.47Å; L472-F485 VanDerWaalsContact O-CA 3.28Å; L472-F485 WeakPolarHBondContact O-CA 3.24Å; S474-F485 WeakPolarHBondContact O-CE1 2.98Å; I481-F485 HydrophobicContact CB-CZ 4.41Å; I481-F485 WeakPolarHBondContact O-CE2 2.9Å; F485-Y515 AromaticContact CD1-CD1 3.88Å; F485-Y515 HydrophobicContact CD1-CD1 3.88Å; F485-Y515 HydrophobicContact CD1-CE1 4.23Å; F485-Y515 AromaticContact CD2-CD1 3.79Å; F485-Y515 HydrophobicContact CD2-CD1 3.79Å; F485-Y515 AromaticContact CE1-CD1 3.78Å; F485-Y515 HydrophobicContact CE1-CD1 3.78Å; F485-Y515 AromaticContact CE1-CE1 3.74Å; F485-Y515 HydrophobicContact CE1-CE1 3.74Å; F485-Y515 AromaticContact CE2-CD1 3.68Å; F485-Y515 HydrophobicContact CE2-CD1 3.68Å; F485-Y515 HydrophobicContact CE2-CE1 4.18Å; F485-Y515 AromaticContact CG-CD1 3.89Å; F485-Y515 HydrophobicContact CG-CD1 3.89Å; F485-Y515 AromaticContact CZ-CD1 3.67Å; F485-Y515 HydrophobicContact CZ-CD1 3.67Å; F485-Y515 AromaticContact CZ-CE1 3.71Å; F485-Y515 HydrophobicContact CZ-CE1 3.71Å; F485-F517 PolarHBondContact N-O 3.01Å; F485-I518 WeakPolarHBondContact O-CA 3.26Å; F485-L519 PolarHBondContact O-N 3.41Å
486	R	96.5	Very high	95.9	Very high	1 Å²	1	14.3 Å²	14.3	0%	0.004	8%	0.077	C	C	.	.	P	Polyproline II helix	trans	-103.8	137.9	176.2	-166.5	-178.9	59.4	90.6	2.5	108.5	E471 L472 D489 L519 D521	E471-R486 HydrophobicContact CG-CB 3.93Å; E471-R486 VanDerWaalsContact OE1-CD 3.26Å; E471-R486 WeakPolarHBondContact OE1-CD 3.36Å; E471-R486 IonicContact OE1-CZ 3.29Å; E471-R486 IonicContact OE1-NE 3.7Å; E471-R486 PolarHBondContact OE1-NE 2.87Å; E471-R486 IonicContact OE2-NE 2.76Å; L472-R486 PolarHBondContact O-N 2.94Å; R486-D489 IonicContact CZ-OD1 2.71Å; R486-D489 VanDerWaalsContact CZ-OD1 3.29Å; R486-D489 IonicContact NH1-OD1 2.66Å; R486-D489 PolarHBondContact NH1-OD1 3.14Å; R486-D489 IonicContact NH2-OD1 3.87Å; R486-D489 PolarHBondContact NH2-OD1 2.88Å; R486-L519 WeakPolarHBondContact CA-O 3.41Å; R486-L519 HydrophobicContact CB-CB 4.33Å; R486-L519 HydrophobicContact CB-CD2 4.37Å; R486-L519 HydrophobicContact CG-CB 4.46Å; R486-L519 HydrophobicContact CG-CD2 4.19Å; R486-L519 HydrophobicContact CG-CG 4.39Å; R486-D521 WeakPolarHBondContact CD-OD1 3.08Å; R486-D521 HydrophobicContact CG-CB 4.2Å; R486-D521 IonicContact CZ-OD1 2.65Å; R486-D521 IonicContact NE-OD1 3.85Å; R486-D521 IonicContact NH1-OD1 2.67Å; R486-D521 PolarHBondContact NH1-OD1 3.49Å
487	P	95.7	Very high	95.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-66	172.3	167.1	31.1	-32.9	0	0	0	110.1	E159 T506 I510 L519 D521	E159-P487 WeakPolarHBondContact OE1-CA 3.48Å; E159-P487 WeakPolarHBondContact OE1-CB 3.36Å; P487-T506 HydrophobicContact CB-CG2 3.55Å; P487-T506 HydrophobicContact CG-CG2 4.26Å; P487-I510 HydrophobicContact CB-CD1 3.98Å; P487-L519 WeakPolarHBondContact CD-O 2.86Å; P487-D521 HydrophobicContact CG-CB 4.14Å
488	I	93.1	Very high	95.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-65.4	146.5	176.3	-72.6	179.9	0	0	0	110.9	E159 I183 Y184 R473 R490	E159-I488 PolarHBondContact OE1-N 2.86Å; I183-I488 HydrophobicContact CB-CD1 4.5Å; I183-I488 HydrophobicContact CD1-CB 4.2Å; I183-I488 HydrophobicContact CD1-CD1 3.98Å; I183-I488 HydrophobicContact CG1-CB 4.09Å; I183-I488 HydrophobicContact CG1-CD1 3.69Å; I183-I488 HydrophobicContact CG1-CG1 4.44Å; I183-I488 HydrophobicContact CG1-CG2 3.9Å; Y184-I488 HydrophobicContact CD2-CG2 4.45Å; R473-I488 HydrophobicContact CG-CG1 4.03Å; I488-R490 WeakPolarHBondContact O-CG 3.45Å; I488-R490 PolarHBondContact O-N 3.46Å
489	D	91.8	Very high	95.8	Very high	5 Å²	5	16.6 Å²	16.6	3%	0.027	9%	0.088	C	C	.	.			trans	-40.2	126.5	179.6	-73.9	38.8	0	0	0	112.7	Y184 W290 R473 R486	Y184-D489 HydrophobicContact CD2-CB 4.16Å; Y184-D489 VanDerWaalsContact CD2-O 3.25Å; Y184-D489 WeakPolarHBondContact CD2-O 3.46Å; Y184-D489 HydrophobicContact CE2-CB 4.45Å; W290-D489 PolarHBondContact NE1-OD2 2.83Å; R473-D489 IonicContact CZ-OD1 3.92Å; R473-D489 IonicContact NH1-OD1 2.95Å; R473-D489 PolarHBondContact NH1-OD1 2.81Å; R486-D489 IonicContact CZ-OD1 2.71Å; R486-D489 VanDerWaalsContact CZ-OD1 3.29Å; R486-D489 IonicContact NH1-OD1 2.66Å; R486-D489 PolarHBondContact NH1-OD1 3.14Å; R486-D489 IonicContact NH2-OD1 3.87Å; R486-D489 PolarHBondContact NH2-OD1 2.88Å
490	R	93.3	Very high	95.9	Very high	1 Å²	1	16.3 Å²	16.3	0%	0.004	9%	0.087	C	C	.	.			trans	-99.5	136.1	-173.4	-60.3	-165.8	82.7	90.7	0.1	111.3	I488 L498 G499 S502 T506 D521 G525 N526 W547	I488-R490 WeakPolarHBondContact O-CG 3.45Å; I488-R490 PolarHBondContact O-N 3.46Å; R490-L498 CarbonylContact C-O 3.55Å; R490-L498 WeakPolarHBondContact CA-O 3.17Å; R490-L498 WeakPolarHBondContact CB-O 3.26Å; R490-G499 PolarHBondContact NE-O 3.48Å; R490-G499 PolarHBondContact NH2-O 3.37Å; R490-S502 VanDerWaalsContact NH2-CB 3.28Å; R490-S502 PolarHBondContact NH2-O 2.93Å; R490-S502 PolarHBondContact NH2-OG 3.33Å; R490-T506 PolarHBondContact NH1-OG1 2.83Å; R490-D521 WeakPolarHBondContact CB-OD2 3.39Å; R490-D521 HydrophobicContact CG-CB 3.98Å; R490-D521 WeakPolarHBondContact CG-OD2 3Å; R490-D521 PolarHBondContact N-OD2 2.98Å; R490-G525 CarbonylContact O-C 3.44Å; R490-G525 VanDerWaalsContact O-CA 3.27Å; R490-G525 WeakPolarHBondContact O-CA 3.42Å; R490-N526 WeakPolarHBondContact O-CB 3.42Å; R490-N526 VanDerWaalsContact O-CG 3.25Å; R490-N526 PolarHBondContact O-N 2.98Å; R490-N526 PolarHBondContact O-ND2 2.64Å; R490-W547 HydrophobicContact CB-CH2 3.83Å; R490-W547 HydrophobicContact CB-CZ2 3.73Å; R490-W547 HydrophobicContact CG-CZ2 4.5Å
491	D	94.6	Very high	96	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.011	8%	0.083	C	C	.	.			trans	-75.6	145.9	177.7	-78.9	-45.9	0	0	0	110.7	Y184 R187 V493 L498 N526 N530 W547	Y184-D491 PolarHBondContact OH-OD1 2.94Å; R187-D491 IonicContact NH2-OD2 3.32Å; D491-V493 HydrophobicContact CB-CG2 4.01Å; D491-V493 PolarHBondContact O-N 2.94Å; D491-L498 PolarHBondContact N-O 3.19Å; D491-N526 PolarHBondContact OD1-ND2 3Å; D491-N530 PolarHBondContact OD1-N 3.01Å; D491-N530 PolarHBondContact OD2-OD1 3.24Å; D491-W547 WeakPolarHBondContact O-CH2 3.5Å
492	S	95.6	Very high	96.1	Very high	15 Å²	15	15.7 Å²	15.7	11%	0.105	8%	0.082	C	C	.	.	S	Bend	trans	-72.7	62.3	177.3	-60.1	0	0	0	0	112.4	G524 N526 A527 L543	S492-G524 VanDerWaalsContact CB-O 3.31Å; S492-G524 WeakPolarHBondContact CB-O 3.31Å; S492-G524 PolarHBondContact OG-O 3.46Å; S492-N526 PolarHBondContact OG-N 2.91Å; S492-A527 PolarHBondContact OG-N 3.16Å; S492-L543 WeakPolarHBondContact O-CD2 3.41Å
493	V	96.3	Very high	96.2	Very high	48 Å²	48	15.7 Å²	15.7	29%	0.291	8%	0.082	S	C	.	.	S	Bend	trans	-138.8	158.3	-178.5	-59.6	0	0	0	0	111.6	D491 G499 L500 L529	D491-V493 HydrophobicContact CB-CG2 4.01Å; D491-V493 PolarHBondContact O-N 2.94Å; V493-G499 CarbonylContact O-C 3.58Å; V493-G499 WeakPolarHBondContact O-CA 3.21Å; V493-L500 PolarHBondContact O-N 3.36Å; V493-L529 HydrophobicContact CG1-CD2 3.51Å
494	W	97.6	Very high	96.3	Very high	39 Å²	39	15.8 Å²	15.8	15%	0.148	8%	0.082	C	C	.	.	S	Bend	trans	-75.5	-21	177.3	-66.6	90.9	0	0	0	114.3	L500 K501 E542 L543 R546 P638	W494-L500 HydrophobicContact CE3-CD2 3.82Å; W494-L500 HydrophobicContact CZ3-CD2 3.78Å; W494-K501 VanDerWaalsContact O-CB 3.26Å; W494-K501 WeakPolarHBondContact O-CB 3.19Å; W494-K501 WeakPolarHBondContact O-CD 3.35Å; W494-K501 WeakPolarHBondContact O-CG 3.37Å; W494-K501 PolarHBondContact O-N 3.25Å; W494-K501 VanDerWaalsContact O-N 3.08Å; W494-E542 HydrophobicContact CH2-CG 4.16Å; W494-E542 HydrophobicContact CZ2-CB 4.28Å; W494-E542 HydrophobicContact CZ2-CG 4.1Å; W494-L543 HydrophobicContact CD2-CD1 3.68Å; W494-L543 HydrophobicContact CE3-CD1 4.1Å; W494-L543 HydrophobicContact CG-CD1 3.93Å; W494-L543 HydrophobicContact CZ2-CB 3.91Å; W494-L543 HydrophobicContact CZ2-CD1 4.32Å; W494-R546 HydrophobicContact CH2-CB 3.94Å; W494-R546 HydrophobicContact CH2-CG 3.66Å; W494-R546 HydrophobicContact CZ3-CB 4.05Å; W494-R546 HydrophobicContact CZ3-CG 4.1Å; W494-P638 HydrophobicContact CD2-CB 4.3Å; W494-P638 HydrophobicContact CZ2-CB 3.92Å
495	G	97	Very high	96.4	Very high	30 Å²	30	15.8 Å²	15.8	31%	0.309	8%	0.082	S	C	.	.	S	Bend	trans	-70.3	174.8	-163.7	0	0	0	0	0	116.9	E497 G499 S502	G495-E497 VanDerWaalsContact C-N 3.34Å; G495-G499 CarbonylContact O-C 3.5Å; G495-G499 WeakPolarHBondContact O-CA 3.21Å; G495-G499 PolarHBondContact O-N 3.3Å; G495-S502 PolarHBondContact O-OG 2.86Å
496	Y	96.9	Very high	96.4	Very high	66 Å²	66	15.7 Å²	15.7	26%	0.259	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-16.7	173.1	-72.9	-79.6	0	0	0	113.6	I162 Q163 H164 L498 K501 S502 P505 D621	I162-Y496 WeakPolarHBondContact CA-O 3.46Å; Q163-Y496 PolarHBondContact N-O 3.23Å; Q163-Y496 WeakPolarHBondContact O-CD1 3.16Å; H164-Y496 AromaticContact CE1-CD1 3.64Å; H164-Y496 AromaticContact CE1-CD2 3.55Å; H164-Y496 AromaticContact CE1-CE2 3.99Å; H164-Y496 AromaticContact CE1-CG 3.35Å; H164-Y496 AromaticContact ND1-CD1 3.54Å; H164-Y496 AromaticContact ND1-CE1 3.72Å; H164-Y496 AromaticContact ND1-CG 3.77Å; Y496-L498 PolarHBondContact O-N 2.92Å; Y496-K501 HydrophobicContact CD1-CB 3.91Å; Y496-K501 HydrophobicContact CD2-CB 4.23Å; Y496-K501 HydrophobicContact CD2-CD 4.16Å; Y496-K501 HydrophobicContact CE1-CB 3.86Å; Y496-K501 HydrophobicContact CE2-CB 4.2Å; Y496-K501 HydrophobicContact CE2-CD 3.86Å; Y496-K501 HydrophobicContact CG-CB 4.1Å; Y496-S502 WeakPolarHBondContact CA-OG 3.39Å; Y496-S502 WeakPolarHBondContact O-CB 3.32Å; Y496-S502 PolarHBondContact O-OG 2.94Å; Y496-P505 HydrophobicContact CE1-CG 4.44Å; Y496-D621 WeakPolarHBondContact CE1-OD2 3.26Å; Y496-D621 PolarHBondContact OH-OD2 3.45Å
497	E	95.9	Very high	96.5	Very high	84 Å²	84	15.7 Å²	15.7	39%	0.393	8%	0.082	S	C	.	.	B	Isolated β-bridge	trans	-82.3	103.9	169.1	-165.6	172.6	174.3	0	0	109.2	A161 I162 R187 G495 G499	A161-E497 CarbonylContact O-C 3.5Å; A161-E497 WeakPolarHBondContact O-CA 3.23Å; I162-E497 HydrophobicContact CG1-CB 3.86Å; I162-E497 HydrophobicContact CG1-CG 3.82Å; R187-E497 WeakPolarHBondContact CD-OE1 3.43Å; R187-E497 IonicContact NE-OE1 2.69Å; R187-E497 PolarHBondContact NE-OE1 2.76Å; G495-E497 VanDerWaalsContact C-N 3.34Å; E497-G499 PolarHBondContact O-N 3.32Å
498	L	95.6	Very high	96.7	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	13.2	177.9	-60.7	176.4	0	0	0	116.7	A161 I183 Y184 R490 D491 Y496	A161-L498 HydrophobicContact CB-CD2 4.4Å; A161-L498 HydrophobicContact CB-CG 4.27Å; A161-L498 PolarHBondContact O-N 3.29Å; I183-L498 HydrophobicContact CD1-CD2 4.3Å; I183-L498 HydrophobicContact CG1-CD2 4.32Å; Y184-L498 HydrophobicContact CD2-CD1 3.79Å; Y184-L498 HydrophobicContact CE2-CD1 4.08Å; R490-L498 CarbonylContact C-O 3.55Å; R490-L498 WeakPolarHBondContact CA-O 3.17Å; R490-L498 WeakPolarHBondContact CB-O 3.26Å; D491-L498 PolarHBondContact N-O 3.19Å; Y496-L498 PolarHBondContact O-N 2.92Å
499	G	96.9	Very high	96.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-100	-163.3	-177	0	0	0	0	0	114.4	R490 V493 G495 E497 S502	R490-G499 PolarHBondContact NE-O 3.48Å; R490-G499 PolarHBondContact NH2-O 3.37Å; V493-G499 CarbonylContact O-C 3.58Å; V493-G499 WeakPolarHBondContact O-CA 3.21Å; G495-G499 CarbonylContact O-C 3.5Å; G495-G499 WeakPolarHBondContact O-CA 3.21Å; G495-G499 PolarHBondContact O-N 3.3Å; E497-G499 PolarHBondContact O-N 3.32Å; G499-S502 PolarHBondContact N-OG 3.24Å; G499-S502 PolarHBondContact O-OG 2.94Å
500	L	98.1	Very high	97.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-64.7	-46.5	-178.1	-178.9	57.6	0	0	0	113	V493 W494 S502 L503 L543 R546 W547 L550 L636	V493-L500 PolarHBondContact O-N 3.36Å; W494-L500 HydrophobicContact CE3-CD2 3.82Å; W494-L500 HydrophobicContact CZ3-CD2 3.78Å; L500-S502 VanDerWaalsContact C-N 3.26Å; L500-S502 PolarHBondContact O-N 3.08Å; L500-L503 VanDerWaalsContact O-CB 3.27Å; L500-L503 WeakPolarHBondContact O-CB 3.34Å; L500-L503 PolarHBondContact O-N 3.23Å; L500-L543 HydrophobicContact CB-CD1 3.96Å; L500-L543 HydrophobicContact CD2-CD1 3.86Å; L500-R546 HydrophobicContact CD2-CB 4.02Å; L500-W547 HydrophobicContact CB-CD2 4.41Å; L500-W547 HydrophobicContact CB-CE3 3.85Å; L500-W547 HydrophobicContact CB-CZ3 3.99Å; L500-W547 HydrophobicContact CD1-CB 4.05Å; L500-W547 HydrophobicContact CD1-CD2 3.84Å; L500-W547 HydrophobicContact CD1-CE3 4.12Å; L500-W547 HydrophobicContact CD1-CG 3.81Å; L500-W547 HydrophobicContact CG-CE3 4.42Å; L500-L550 HydrophobicContact CD1-CD2 3.73Å; L500-L636 HydrophobicContact CD1-CD2 4.36Å; L500-L636 HydrophobicContact CD2-CD2 4.36Å; L500-L636 HydrophobicContact CG-CD2 3.95Å
501	K	97.9	Very high	97.5	Very high	34 Å²	34	15.5 Å²	15.5	15%	0.148	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-35.7	-178.8	-79.7	172.7	-162.5	-165.5	0	113.4	W494 Y496 L503 P505 L636 E637	W494-K501 VanDerWaalsContact O-CB 3.26Å; W494-K501 WeakPolarHBondContact O-CB 3.19Å; W494-K501 WeakPolarHBondContact O-CD 3.35Å; W494-K501 WeakPolarHBondContact O-CG 3.37Å; W494-K501 PolarHBondContact O-N 3.25Å; W494-K501 VanDerWaalsContact O-N 3.08Å; Y496-K501 HydrophobicContact CD1-CB 3.91Å; Y496-K501 HydrophobicContact CD2-CB 4.23Å; Y496-K501 HydrophobicContact CD2-CD 4.16Å; Y496-K501 HydrophobicContact CE1-CB 3.86Å; Y496-K501 HydrophobicContact CE2-CB 4.2Å; Y496-K501 HydrophobicContact CE2-CD 3.86Å; Y496-K501 HydrophobicContact CG-CB 4.1Å; K501-L503 VanDerWaalsContact C-N 3.28Å; K501-L503 PolarHBondContact O-N 3.45Å; K501-P505 VanDerWaalsContact O-CD 3.27Å; K501-P505 WeakPolarHBondContact O-CD 3.45Å; K501-L636 WeakPolarHBondContact CE-O 3.49Å; K501-L636 HydrophobicContact CG-CB 4Å; K501-E637 VanDerWaalsContact CE-CD 3.46Å; K501-E637 WeakPolarHBondContact CE-OE1 3.35Å; K501-E637 WeakPolarHBondContact CE-OE2 3.39Å; K501-E637 IonicContact NZ-OE1 3.2Å; K501-E637 PolarHBondContact NZ-OE1 3.38Å; K501-E637 IonicContact NZ-OE2 3.36Å; K501-E637 PolarHBondContact NZ-OE2 3.19Å
502	S	97.6	Very high	97.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.1	178.3	39.6	0	0	0	0	114.2	Q163 R490 G495 Y496 G499 L500 P505 T506	Q163-S502 WeakPolarHBondContact O-CB 3.45Å; R490-S502 VanDerWaalsContact NH2-CB 3.28Å; R490-S502 PolarHBondContact NH2-O 2.93Å; R490-S502 PolarHBondContact NH2-OG 3.33Å; G495-S502 PolarHBondContact O-OG 2.86Å; Y496-S502 WeakPolarHBondContact CA-OG 3.39Å; Y496-S502 WeakPolarHBondContact O-CB 3.32Å; Y496-S502 PolarHBondContact O-OG 2.94Å; G499-S502 PolarHBondContact N-OG 3.24Å; G499-S502 PolarHBondContact O-OG 2.94Å; L500-S502 VanDerWaalsContact C-N 3.26Å; L500-S502 PolarHBondContact O-N 3.08Å; S502-P505 WeakPolarHBondContact O-CD 3.43Å; S502-T506 WeakPolarHBondContact O-CB 3.49Å; S502-T506 PolarHBondContact O-N 3.43Å; S502-T506 PolarHBondContact O-OG1 2.88Å
503	L	98.3	Very high	97.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.1	-45.6	-176.8	-177	55.6	0	0	0	112	L500 K501 T506 V507 P520 L550	L500-L503 VanDerWaalsContact O-CB 3.27Å; L500-L503 WeakPolarHBondContact O-CB 3.34Å; L500-L503 PolarHBondContact O-N 3.23Å; K501-L503 VanDerWaalsContact C-N 3.28Å; K501-L503 PolarHBondContact O-N 3.45Å; L503-T506 PolarHBondContact O-N 3.33Å; L503-V507 HydrophobicContact CD1-CG2 4.1Å; L503-V507 WeakPolarHBondContact O-CB 3.39Å; L503-V507 VanDerWaalsContact O-CG2 3.29Å; L503-V507 WeakPolarHBondContact O-CG2 3.28Å; L503-V507 PolarHBondContact O-N 2.81Å; L503-P520 HydrophobicContact CD1-CB 4Å; L503-P520 VanDerWaalsContact CD1-O 3.27Å; L503-P520 WeakPolarHBondContact CD1-O 3.29Å; L503-P520 HydrophobicContact CD2-CB 4.28Å; L503-P520 HydrophobicContact CG-CB 4.49Å; L503-L550 HydrophobicContact CB-CD2 4.2Å; L503-L550 HydrophobicContact CD2-CD2 3.86Å; L503-L550 HydrophobicContact CD2-CG 4.23Å; L503-L550 HydrophobicContact CG-CD2 4.27Å
504	I	98.7	Very high	97.8	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-61.8	-51.7	174.1	-63.8	167.5	0	0	0	110.8	T506 V507 L508 L550 M554 D621 F624 P634 L636	I504-T506 VanDerWaalsContact C-N 3.29Å; I504-T506 PolarHBondContact O-N 2.83Å; I504-V507 PolarHBondContact O-N 2.77Å; I504-L508 HydrophobicContact CG2-CD1 3.64Å; I504-L508 HydrophobicContact CG2-CG 3.95Å; I504-L508 WeakPolarHBondContact O-CB 3.16Å; I504-L508 VanDerWaalsContact O-CG 3.31Å; I504-L508 WeakPolarHBondContact O-CG 3.03Å; I504-L508 PolarHBondContact O-N 2.98Å; I504-L550 HydrophobicContact CD1-CD1 4.23Å; I504-L550 HydrophobicContact CD1-CD2 4.47Å; I504-L550 HydrophobicContact CG1-CD1 4.09Å; I504-L550 HydrophobicContact CG1-CD2 4.16Å; I504-M554 HydrophobicContact CG1-CE 4.27Å; I504-D621 VanDerWaalsContact CB-O 3.28Å; I504-D621 WeakPolarHBondContact CB-O 3.38Å; I504-D621 WeakPolarHBondContact CG2-O 3.42Å; I504-F624 HydrophobicContact CD1-CD1 3.78Å; I504-F624 HydrophobicContact CD1-CE1 4.1Å; I504-F624 HydrophobicContact CG1-CD1 3.83Å; I504-F624 HydrophobicContact CG1-CE1 4.15Å; I504-F624 HydrophobicContact CG2-CB 4.26Å; I504-F624 HydrophobicContact CG2-CD1 4.25Å; I504-P634 HydrophobicContact CD1-CG 3.75Å; I504-L636 HydrophobicContact CD1-CD1 4.27Å
505	P	98.7	Very high	97.8	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-48.8	-43.4	171.2	-33.4	35.9	0	0	0	115.4	Q163 W165 Y496 K501 S502 T509 D621	Q163-P505 HydrophobicContact CB-CB 4.16Å; Q163-P505 HydrophobicContact CG-CB 3.56Å; W165-P505 HydrophobicContact CB-CB 4.17Å; W165-P505 HydrophobicContact CB-CG 4.26Å; Y496-P505 HydrophobicContact CE1-CG 4.44Å; K501-P505 VanDerWaalsContact O-CD 3.27Å; K501-P505 WeakPolarHBondContact O-CD 3.45Å; S502-P505 WeakPolarHBondContact O-CD 3.43Å; P505-T509 VanDerWaalsContact O-CB 3.3Å; P505-T509 WeakPolarHBondContact O-CB 3.33Å; P505-T509 PolarHBondContact O-N 2.85Å; P505-T509 PolarHBondContact O-OG1 2.91Å; P505-D621 HydrophobicContact CG-CB 4.1Å
506	T	98.6	Very high	97.8	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.012	4%	0.044	C	C	.	.	H	α-helix	trans	-67.5	-48.9	179.3	-62.9	0	0	0	0	110.6	E159 P487 R490 S502 L503 I504 L508 T509 I510	E159-T506 HydrophobicContact CG-CG2 4.3Å; P487-T506 HydrophobicContact CB-CG2 3.55Å; P487-T506 HydrophobicContact CG-CG2 4.26Å; R490-T506 PolarHBondContact NH1-OG1 2.83Å; S502-T506 WeakPolarHBondContact O-CB 3.49Å; S502-T506 PolarHBondContact O-N 3.43Å; S502-T506 PolarHBondContact O-OG1 2.88Å; L503-T506 PolarHBondContact O-N 3.33Å; I504-T506 VanDerWaalsContact C-N 3.29Å; I504-T506 PolarHBondContact O-N 2.83Å; T506-L508 PolarHBondContact O-N 3.35Å; T506-T509 PolarHBondContact O-N 3.47Å; T506-I510 HydrophobicContact CG2-CD1 3.67Å; T506-I510 HydrophobicContact CG2-CG1 4.41Å; T506-I510 WeakPolarHBondContact O-CG1 3.49Å; T506-I510 PolarHBondContact O-N 3.09Å
507	V	98.6	Very high	97.8	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.006	3%	0.032	C	C	.	.	H	α-helix	trans	-61.2	-46.3	178.7	172.4	0	0	0	0	111.1	L503 I504 T509 I510 S511 I518 P520 M554 I604	L503-V507 HydrophobicContact CD1-CG2 4.1Å; L503-V507 WeakPolarHBondContact O-CB 3.39Å; L503-V507 VanDerWaalsContact O-CG2 3.29Å; L503-V507 WeakPolarHBondContact O-CG2 3.28Å; L503-V507 PolarHBondContact O-N 2.81Å; I504-V507 PolarHBondContact O-N 2.77Å; V507-T509 VanDerWaalsContact C-N 3.3Å; V507-T509 PolarHBondContact O-N 2.85Å; V507-I510 PolarHBondContact O-N 2.74Å; V507-S511 VanDerWaalsContact O-CB 3.32Å; V507-S511 WeakPolarHBondContact O-CB 3.39Å; V507-S511 PolarHBondContact O-N 3.38Å; V507-S511 PolarHBondContact O-OG 2.97Å; V507-I518 HydrophobicContact CG1-CD1 3.93Å; V507-I518 HydrophobicContact CG1-CG2 4.45Å; V507-I518 HydrophobicContact CG2-CG2 4.18Å; V507-P520 HydrophobicContact CG2-CB 4.43Å; V507-M554 HydrophobicContact CB-SD 4.38Å; V507-M554 HydrophobicContact CG1-SD 3.9Å; V507-M554 HydrophobicContact CG2-CE 4.28Å; V507-M554 HydrophobicContact CG2-SD 3.99Å; V507-I604 HydrophobicContact CG1-CB 3.89Å; V507-I604 HydrophobicContact CG1-CG1 4.03Å; V507-I604 HydrophobicContact CG1-CG2 3.73Å
508	L	98.8	Very high	97.9	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-60.5	-39.2	176.5	-69.9	179.1	0	0	0	112.2	W165 I504 T506 S511 I512 I604 R605 P606 F624	W165-L508 HydrophobicContact CD2-CB 3.97Å; W165-L508 HydrophobicContact CD2-CD1 3.9Å; W165-L508 HydrophobicContact CE3-CB 3.67Å; W165-L508 HydrophobicContact CE3-CD1 4.46Å; W165-L508 HydrophobicContact CG-CD1 3.95Å; W165-L508 HydrophobicContact CH2-CB 4.02Å; W165-L508 HydrophobicContact CZ2-CB 4.31Å; W165-L508 HydrophobicContact CZ3-CB 3.7Å; I504-L508 HydrophobicContact CG2-CD1 3.64Å; I504-L508 HydrophobicContact CG2-CG 3.95Å; I504-L508 WeakPolarHBondContact O-CB 3.16Å; I504-L508 VanDerWaalsContact O-CG 3.31Å; I504-L508 WeakPolarHBondContact O-CG 3.03Å; I504-L508 PolarHBondContact O-N 2.98Å; T506-L508 PolarHBondContact O-N 3.35Å; L508-S511 WeakPolarHBondContact O-CB 3.22Å; L508-I512 WeakPolarHBondContact O-CG1 3.38Å; L508-I512 PolarHBondContact O-N 3.26Å; L508-I512 VanDerWaalsContact O-N 3.16Å; L508-I604 HydrophobicContact CD2-CG2 4.19Å; L508-R605 VanDerWaalsContact CD2-C 3.48Å; L508-P606 HydrophobicContact CD1-CB 4.28Å; L508-P606 HydrophobicContact CD2-CB 4.07Å; L508-F624 HydrophobicContact CD2-CB 4.33Å
509	T	98.6	Very high	98	Very high	1 Å²	1	2.7 Å²	2.7	1%	0.006	1%	0.014	C	C	.	.	H	α-helix	trans	-65	-50.7	175.9	-59.6	0	0	0	0	111	Q163 P505 T506 V507 S511 I512 L513	Q163-T509 PolarHBondContact NE2-OG1 2.7Å; P505-T509 VanDerWaalsContact O-CB 3.3Å; P505-T509 WeakPolarHBondContact O-CB 3.33Å; P505-T509 PolarHBondContact O-N 2.85Å; P505-T509 PolarHBondContact O-OG1 2.91Å; T506-T509 PolarHBondContact O-N 3.47Å; V507-T509 VanDerWaalsContact C-N 3.3Å; V507-T509 PolarHBondContact O-N 2.85Å; T509-S511 VanDerWaalsContact C-N 3.32Å; T509-S511 PolarHBondContact O-N 2.75Å; T509-I512 WeakPolarHBondContact O-CG1 3.26Å; T509-I512 PolarHBondContact O-N 3.33Å; T509-L513 HydrophobicContact CG2-CD1 4.03Å; T509-L513 VanDerWaalsContact O-CG 3.26Å; T509-L513 WeakPolarHBondContact O-CG 3.4Å; T509-L513 PolarHBondContact O-N 2.9Å; T509-L513 VanDerWaalsContact O-N 3.12Å
510	I	98.4	Very high	98	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-60	-42.1	178.6	-67.6	169.3	0	0	0	111.1	I193 P487 T506 V507 I512 L513 G514 Y515 I518	I193-I510 HydrophobicContact CD1-CD1 3.91Å; I193-I510 HydrophobicContact CD1-CG1 4.22Å; I193-I510 HydrophobicContact CD1-CG2 4.23Å; I193-I510 HydrophobicContact CG2-CG1 4.47Å; P487-I510 HydrophobicContact CB-CD1 3.98Å; T506-I510 HydrophobicContact CG2-CD1 3.67Å; T506-I510 HydrophobicContact CG2-CG1 4.41Å; T506-I510 WeakPolarHBondContact O-CG1 3.49Å; T506-I510 PolarHBondContact O-N 3.09Å; V507-I510 PolarHBondContact O-N 2.74Å; I510-I512 PolarHBondContact O-N 2.88Å; I510-L513 PolarHBondContact O-N 3.3Å; I510-L513 VanDerWaalsContact O-N 3.13Å; I510-G514 PolarHBondContact O-N 2.83Å; I510-Y515 PolarHBondContact O-N 3.42Å; I510-I518 HydrophobicContact CB-CD1 4.06Å; I510-I518 HydrophobicContact CG2-CD1 3.74Å; I510-I518 HydrophobicContact CG2-CG1 3.86Å
511	S	97.9	Very high	97.8	Very high	1 Å²	1	2.7 Å²	2.7	1%	0.007	1%	0.014	C	C	.	.	H	α-helix	trans	-53.4	-50.3	173.5	-80.6	0	0	0	0	112.9	V507 L508 T509 L513 G514 Q516 I518 I604	V507-S511 VanDerWaalsContact O-CB 3.32Å; V507-S511 WeakPolarHBondContact O-CB 3.39Å; V507-S511 PolarHBondContact O-N 3.38Å; V507-S511 PolarHBondContact O-OG 2.97Å; L508-S511 WeakPolarHBondContact O-CB 3.22Å; T509-S511 VanDerWaalsContact C-N 3.32Å; T509-S511 PolarHBondContact O-N 2.75Å; S511-L513 VanDerWaalsContact C-N 3.28Å; S511-L513 PolarHBondContact O-N 3.15Å; S511-G514 PolarHBondContact O-N 2.85Å; S511-G514 VanDerWaalsContact O-N 3.11Å; S511-Q516 PolarHBondContact O-NE2 2.76Å; S511-Q516 PolarHBondContact O-OE1 3.44Å; S511-I518 WeakPolarHBondContact OG-CD1 3.16Å; S511-I604 WeakPolarHBondContact CB-O 3.31Å; S511-I604 PolarHBondContact OG-O 2.95Å
512	I	97.9	Very high	97.7	Very high	0 Å²	0	1 Å²	1	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-77.9	-9.5	179.7	64.8	159.9	0	0	0	114.1	Y155 W165 H262 F270 L508 T509 I510	Y155-I512 HydrophobicContact CG-CD1 4.5Å; W165-I512 HydrophobicContact CH2-CD1 3.74Å; W165-I512 HydrophobicContact CH2-CG1 4.17Å; W165-I512 HydrophobicContact CH2-CG2 4.02Å; W165-I512 HydrophobicContact CZ3-CD1 3.83Å; W165-I512 HydrophobicContact CZ3-CG1 4.21Å; H262-I512 PolarHBondContact CE1-O 3.39Å; F270-I512 WeakPolarHBondContact CE2-O 3.38Å; L508-I512 WeakPolarHBondContact O-CG1 3.38Å; L508-I512 PolarHBondContact O-N 3.26Å; L508-I512 VanDerWaalsContact O-N 3.16Å; T509-I512 WeakPolarHBondContact O-CG1 3.26Å; T509-I512 PolarHBondContact O-N 3.33Å; I510-I512 PolarHBondContact O-N 2.88Å
513	L	98.2	Very high	97.8	Very high	0 Å²	0	1 Å²	1	0%	0	1%	0.007	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	2.8	167.4	-60.6	170.6	0	0	0	111.9	E195 F270 Q479 T509 I510 S511 Y515	E195-L513 HydrophobicContact CB-CB 4.49Å; E195-L513 HydrophobicContact CB-CD2 3.76Å; E195-L513 HydrophobicContact CG-CB 4.15Å; E195-L513 HydrophobicContact CG-CD2 4.35Å; F270-L513 VanDerWaalsContact CE2-C 3.43Å; F270-L513 WeakPolarHBondContact CE2-O 3.37Å; Q479-L513 PolarHBondContact NE2-O 3.44Å; T509-L513 HydrophobicContact CG2-CD1 4.03Å; T509-L513 VanDerWaalsContact O-CG 3.26Å; T509-L513 WeakPolarHBondContact O-CG 3.4Å; T509-L513 PolarHBondContact O-N 2.9Å; T509-L513 VanDerWaalsContact O-N 3.12Å; I510-L513 PolarHBondContact O-N 3.3Å; I510-L513 VanDerWaalsContact O-N 3.13Å; S511-L513 VanDerWaalsContact C-N 3.28Å; S511-L513 PolarHBondContact O-N 3.15Å; L513-Y515 HydrophobicContact CB-CD2 3.99Å; L513-Y515 HydrophobicContact CB-CE2 4.31Å; L513-Y515 WeakPolarHBondContact O-CD2 3.47Å
514	G	97.2	Very high	97.7	Very high	5 Å²	5	1 Å²	1	5%	0.052	1%	0.007	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	5.8	172.3	0	0	0	0	0	115.1	Q479 I510 S511 Q516	Q479-G514 WeakPolarHBondContact CG-O 3.47Å; I510-G514 PolarHBondContact O-N 2.83Å; S511-G514 PolarHBondContact O-N 2.85Å; S511-G514 VanDerWaalsContact O-N 3.11Å; G514-Q516 PolarHBondContact O-N 2.73Å
515	Y	97.9	Very high	97.5	Very high	2 Å²	2	1 Å²	1	1%	0.008	1%	0.006	C	C	.	.			trans	-96	90.8	-178	-66.2	-84	0	0	0	109.7	I193 E195 Y476 Q477 S478 Q479 F485 I510 L513 I518	I193-Y515 HydrophobicContact CG2-CD2 3.58Å; I193-Y515 HydrophobicContact CG2-CE2 3.68Å; I193-Y515 HydrophobicContact CG2-CG 4.18Å; E195-Y515 HydrophobicContact CG-CE2 4.09Å; E195-Y515 PolarHBondContact OE1-OH 2.79Å; Y476-Y515 PolarHBondContact N-OH 3.28Å; Q477-Y515 PolarHBondContact N-OH 2.64Å; S478-Y515 PolarHBondContact N-OH 2.82Å; S478-Y515 WeakPolarHBondContact OG-CE1 3.26Å; S478-Y515 PolarHBondContact OG-OH 2.74Å; Q479-Y515 HydrophobicContact CG-CD1 4.26Å; Q479-Y515 HydrophobicContact CG-CD2 4.28Å; Q479-Y515 HydrophobicContact CG-CE1 4.03Å; Q479-Y515 HydrophobicContact CG-CE2 4.06Å; Q479-Y515 HydrophobicContact CG-CG 4.37Å; Q479-Y515 VanDerWaalsContact NE2-CE2 3.29Å; Q479-Y515 PolarHBondContact NE2-OH 2.99Å; F485-Y515 AromaticContact CD1-CD1 3.88Å; F485-Y515 HydrophobicContact CD1-CD1 3.88Å; F485-Y515 HydrophobicContact CD1-CE1 4.23Å; F485-Y515 AromaticContact CD2-CD1 3.79Å; F485-Y515 HydrophobicContact CD2-CD1 3.79Å; F485-Y515 AromaticContact CE1-CD1 3.78Å; F485-Y515 HydrophobicContact CE1-CD1 3.78Å; F485-Y515 AromaticContact CE1-CE1 3.74Å; F485-Y515 HydrophobicContact CE1-CE1 3.74Å; F485-Y515 AromaticContact CE2-CD1 3.68Å; F485-Y515 HydrophobicContact CE2-CD1 3.68Å; F485-Y515 HydrophobicContact CE2-CE1 4.18Å; F485-Y515 AromaticContact CG-CD1 3.89Å; F485-Y515 HydrophobicContact CG-CD1 3.89Å; F485-Y515 AromaticContact CZ-CD1 3.67Å; F485-Y515 HydrophobicContact CZ-CD1 3.67Å; F485-Y515 AromaticContact CZ-CE1 3.71Å; F485-Y515 HydrophobicContact CZ-CE1 3.71Å; I510-Y515 PolarHBondContact O-N 3.42Å; L513-Y515 HydrophobicContact CB-CD2 3.99Å; L513-Y515 HydrophobicContact CB-CE2 4.31Å; L513-Y515 WeakPolarHBondContact O-CD2 3.47Å; Y515-I518 WeakPolarHBondContact O-CD1 3.36Å; Y515-I518 WeakPolarHBondContact O-CG1 3.27Å
516	Q	96.6	Very high	97.1	Very high	4 Å²	4	1.1 Å²	1.1	2%	0.019	1%	0.007	C	C	.	.			trans	-91.3	-18.3	-165.7	-49.6	-52.2	-11.9	0	0	115.7	S511 G514 I518 V596 G600 P602 I603	S511-Q516 PolarHBondContact O-NE2 2.76Å; S511-Q516 PolarHBondContact O-OE1 3.44Å; G514-Q516 PolarHBondContact O-N 2.73Å; Q516-I518 PolarHBondContact O-N 2.73Å; Q516-V596 HydrophobicContact CB-CG1 3.92Å; Q516-V596 HydrophobicContact CB-CG2 3.84Å; Q516-V596 HydrophobicContact CG-CG1 3.81Å; Q516-V596 HydrophobicContact CG-CG2 3.92Å; Q516-G600 PolarHBondContact NE2-O 3.26Å; Q516-P602 VanDerWaalsContact OE1-CA 3.25Å; Q516-I603 HydrophobicContact CB-CD1 4.44Å; Q516-I603 HydrophobicContact CB-CG1 4.27Å
517	F	98.1	Very high	96.7	Very high	4 Å²	4	1.2 Å²	1.2	2%	0.018	1%	0.008	C	C	.	.	S	Bend	trans	-92.9	87	175.3	-52.9	-36.4	0	0	0	108	P273 P277 F282 C483 F484 F485 A593 V596 I603	P273-F517 HydrophobicContact CB-CD2 4.48Å; P273-F517 HydrophobicContact CB-CE2 3.52Å; P273-F517 HydrophobicContact CB-CZ 3.99Å; P273-F517 HydrophobicContact CG-CD2 4.43Å; P273-F517 HydrophobicContact CG-CE2 3.72Å; P273-F517 HydrophobicContact CG-CZ 4.05Å; P277-F517 HydrophobicContact CG-CB 4.37Å; P277-F517 HydrophobicContact CG-CD2 3.57Å; P277-F517 HydrophobicContact CG-CE2 3.94Å; P277-F517 HydrophobicContact CG-CG 3.91Å; F282-F517 HydrophobicContact CE1-CD1 4.18Å; F282-F517 AromaticContact CZ-CD1 3.83Å; F282-F517 HydrophobicContact CZ-CD1 3.83Å; F282-F517 HydrophobicContact CZ-CE1 4.23Å; F282-F517 HydrophobicContact CZ-CG 4.39Å; C483-F517 WeakPolarHBondContact O-CB 3.21Å; F484-F517 CarbonylContact C-O 3.56Å; F484-F517 VanDerWaalsContact CA-O 3.32Å; F484-F517 WeakPolarHBondContact CA-O 3.31Å; F484-F517 HydrophobicContact CD1-CB 4.38Å; F484-F517 HydrophobicContact CD2-CB 4.38Å; F484-F517 HydrophobicContact CE1-CB 4.48Å; F484-F517 HydrophobicContact CE2-CB 4.48Å; F484-F517 HydrophobicContact CG-CB 4.34Å; F485-F517 PolarHBondContact N-O 3.01Å; F517-A593 HydrophobicContact CD1-CB 4.5Å; F517-A593 HydrophobicContact CE1-CB 3.79Å; F517-V596 HydrophobicContact CE1-CG1 4.47Å; F517-V596 HydrophobicContact CZ-CG1 4.41Å; F517-I603 HydrophobicContact CD1-CD1 4.26Å; F517-I603 HydrophobicContact CE1-CD1 4.39Å
518	I	98	Very high	96	Very high	1 Å²	1	1.7 Å²	1.7	1%	0.005	1%	0.009	C	C	.	.	B	Isolated β-bridge	trans	-104.4	129.7	-171.6	-54.5	173.4	0	0	0	110	F485 V507 I510 S511 Y515 Q516 P555	F485-I518 WeakPolarHBondContact O-CA 3.26Å; V507-I518 HydrophobicContact CG1-CD1 3.93Å; V507-I518 HydrophobicContact CG1-CG2 4.45Å; V507-I518 HydrophobicContact CG2-CG2 4.18Å; I510-I518 HydrophobicContact CB-CD1 4.06Å; I510-I518 HydrophobicContact CG2-CD1 3.74Å; I510-I518 HydrophobicContact CG2-CG1 3.86Å; S511-I518 WeakPolarHBondContact OG-CD1 3.16Å; Y515-I518 WeakPolarHBondContact O-CD1 3.36Å; Y515-I518 WeakPolarHBondContact O-CG1 3.27Å; Q516-I518 PolarHBondContact O-N 2.73Å; I518-P555 HydrophobicContact CB-CG 4.48Å; I518-P555 WeakPolarHBondContact O-CB 3.31Å
519	L	97.8	Very high	94.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.			trans	-100.9	119.6	165.9	-179.3	68.7	0	0	0	107	I286 E471 F484 F485 R486 P487 D521 S556 Q558	I286-L519 HydrophobicContact CD1-CD1 3.91Å; I286-L519 HydrophobicContact CD1-CD2 4.04Å; E471-L519 HydrophobicContact CG-CD2 3.96Å; E471-L519 WeakPolarHBondContact OE2-CD2 3.08Å; F484-L519 HydrophobicContact CB-CB 4.39Å; F484-L519 HydrophobicContact CD1-CB 4.06Å; F485-L519 PolarHBondContact O-N 3.41Å; R486-L519 WeakPolarHBondContact CA-O 3.41Å; R486-L519 HydrophobicContact CB-CB 4.33Å; R486-L519 HydrophobicContact CB-CD2 4.37Å; R486-L519 HydrophobicContact CG-CB 4.46Å; R486-L519 HydrophobicContact CG-CD2 4.19Å; R486-L519 HydrophobicContact CG-CG 4.39Å; P487-L519 WeakPolarHBondContact CD-O 2.86Å; L519-D521 PolarHBondContact O-N 3Å; L519-S556 WeakPolarHBondContact CD1-OG 3.39Å; L519-Q558 HydrophobicContact CD1-CB 4.05Å; L519-Q558 HydrophobicContact CD2-CB 4.44Å
520	P	96.1	Very high	93.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.			trans	-80	29.9	-168	38.8	-43.4	0	0	0	114	L503 V507 M554 S556	L503-P520 HydrophobicContact CD1-CB 4Å; L503-P520 VanDerWaalsContact CD1-O 3.27Å; L503-P520 WeakPolarHBondContact CD1-O 3.29Å; L503-P520 HydrophobicContact CD2-CB 4.28Å; L503-P520 HydrophobicContact CG-CB 4.49Å; V507-P520 HydrophobicContact CG2-CB 4.43Å; P520-M554 HydrophobicContact CB-CB 3.93Å; P520-M554 HydrophobicContact CB-CG 3.72Å; P520-M554 HydrophobicContact CB-SD 4.43Å; P520-M554 HydrophobicContact CG-CB 3.6Å; P520-M554 HydrophobicContact CG-CG 3.86Å; P520-S556 WeakPolarHBondContact CD-O 3.31Å; P520-S556 WeakPolarHBondContact CG-O 3.49Å
521	D	94.4	Very high	91.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.078	C	C	.	.			trans	58.4	-178.3	-165.4	-162.3	30.4	0	0	0	114	R486 P487 R490 L519	R486-D521 WeakPolarHBondContact CD-OD1 3.08Å; R486-D521 HydrophobicContact CG-CB 4.2Å; R486-D521 IonicContact CZ-OD1 2.65Å; R486-D521 IonicContact NE-OD1 3.85Å; R486-D521 IonicContact NH1-OD1 2.67Å; R486-D521 PolarHBondContact NH1-OD1 3.49Å; P487-D521 HydrophobicContact CG-CB 4.14Å; R490-D521 WeakPolarHBondContact CB-OD2 3.39Å; R490-D521 HydrophobicContact CG-CB 3.98Å; R490-D521 WeakPolarHBondContact CG-OD2 3Å; R490-D521 PolarHBondContact N-OD2 2.98Å; L519-D521 PolarHBondContact O-N 3Å
522	M	95.6	Very high	90	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.086	C	C	.	.			trans	-68.9	139.5	-174.2	-53.1	-178.6	-48.8	0	0	113	W290 A291 G524 G525 N526 W547 Q558 S560	W290-M522 HydrophobicContact CB-SD 4.38Å; W290-M522 HydrophobicContact CG-SD 4.43Å; A291-M522 HydrophobicContact CB-CE 4.18Å; M522-G524 PolarHBondContact O-N 3.02Å; M522-G525 PolarHBondContact O-N 2.88Å; M522-N526 HydrophobicContact CE-CB 4.13Å; M522-W547 PolarHBondContact O-NE1 2.87Å; M522-Q558 HydrophobicContact CG-CG 4.37Å; M522-S560 WeakPolarHBondContact SD-CB 3.33Å; M522-S560 PolarHBondContact SD-OG 3.48Å
523	I	98.4	Very high	88.1	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	121.3	174.9	-68.8	163.8	0	0	0	110.4	Y544 L548 M557 Q558 F559	I523-Y544 HydrophobicContact CG2-CD2 4.33Å; I523-Y544 HydrophobicContact CG2-CE1 4.42Å; I523-Y544 HydrophobicContact CG2-CE2 3.92Å; I523-L548 HydrophobicContact CD1-CD1 4.06Å; I523-L548 HydrophobicContact CG2-CB 3.72Å; I523-M557 HydrophobicContact CD1-CB 4.37Å; I523-M557 HydrophobicContact CD1-CE 3.89Å; I523-Q558 WeakPolarHBondContact CG1-O 3.26Å; I523-Q558 PolarHBondContact N-O 2.95Å; I523-F559 HydrophobicContact CB-CD1 4.22Å; I523-F559 HydrophobicContact CB-CE1 4.39Å; I523-F559 HydrophobicContact CD1-CD1 3.8Å; I523-F559 HydrophobicContact CD1-CD2 4.35Å; I523-F559 HydrophobicContact CD1-CE1 3.55Å; I523-F559 HydrophobicContact CD1-CE2 4.11Å; I523-F559 HydrophobicContact CD1-CG 4.2Å; I523-F559 HydrophobicContact CD1-CZ 3.71Å; I523-F559 HydrophobicContact CG2-CD1 4.35Å; I523-F559 HydrophobicContact CG2-CE1 4.16Å
524	G	96.4	Very high	86.6	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	1.8	-177.7	0	0	0	0	0	115.2	S492 M522 P539 W547	S492-G524 VanDerWaalsContact CB-O 3.31Å; S492-G524 WeakPolarHBondContact CB-O 3.31Å; S492-G524 PolarHBondContact OG-O 3.46Å; M522-G524 PolarHBondContact O-N 3.02Å; G524-P539 VanDerWaalsContact O-CG 3.28Å; G524-P539 WeakPolarHBondContact O-CG 3.34Å; G524-W547 VanDerWaalsContact N-CG 3.28Å
525	G	94.4	Very high	85.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.			trans	73.6	-167.3	-176.3	0	0	0	0	0	113.9	R490 M522 A527	R490-G525 CarbonylContact O-C 3.44Å; R490-G525 VanDerWaalsContact O-CA 3.27Å; R490-G525 WeakPolarHBondContact O-CA 3.42Å; M522-G525 PolarHBondContact O-N 2.88Å; G525-A527 PolarHBondContact O-N 2.75Å
526	N	91.1	Very high	84.6	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.016	18%	0.184	C	C	.	.			trans	-78.2	-12.8	-165.9	65.1	25.2	0	0	0	116.8	Y184 R490 D491 S492 M522 Y528	Y184-N526 PolarHBondContact OH-ND2 2.56Å; R490-N526 WeakPolarHBondContact O-CB 3.42Å; R490-N526 VanDerWaalsContact O-CG 3.25Å; R490-N526 PolarHBondContact O-N 2.98Å; R490-N526 PolarHBondContact O-ND2 2.64Å; D491-N526 PolarHBondContact OD1-ND2 3Å; S492-N526 PolarHBondContact OG-N 2.91Å; M522-N526 HydrophobicContact CE-CB 4.13Å; N526-Y528 WeakPolarHBondContact O-CD2 3.48Å; N526-Y528 PolarHBondContact O-N 2.79Å; N526-Y528 VanDerWaalsContact O-N 3.15Å; N526-Y528 PolarHBondContact OD1-N 3.29Å
527	A	89.8	Confident	84.1	Confident	3 Å²	3	40.7 Å²	40.7	3%	0.025	21%	0.212	C	C	.	.	S	Bend	trans	60.4	10.6	-173.4	0	0	0	0	0	115.9	A291 S492 G525 R536 T537 P539 I561	A291-A527 HydrophobicContact CB-CB 4.47Å; S492-A527 PolarHBondContact OG-N 3.16Å; G525-A527 PolarHBondContact O-N 2.75Å; A527-R536 HydrophobicContact CB-CG 3.9Å; A527-T537 WeakPolarHBondContact CB-O 3.3Å; A527-T537 PolarHBondContact O-N 2.81Å; A527-P539 HydrophobicContact CB-CG 4.41Å; A527-I561 HydrophobicContact CB-CD1 4.02Å; A527-I561 HydrophobicContact CB-CG1 4.16Å
528	Y	83.8	Confident	83.9	Confident	11 Å²	11	43.3 Å²	43.3	4%	0.043	23%	0.226	C	C	.	.	S	Bend	trans	-130	60.3	-177.8	-63.6	-69.4	0	0	0	110.9	Y184 K294 N526 N530 R531 G534 R536	Y184-Y528 PolarHBondContact OH-O 3.06Å; K294-Y528 WeakPolarHBondContact CB-OH 3.3Å; K294-Y528 HydrophobicContact CD-CE1 4.33Å; K294-Y528 HydrophobicContact CD-CE2 4.27Å; K294-Y528 HydrophobicContact CG-CE2 4.32Å; K294-Y528 VanDerWaalsContact NZ-CD2 3.26Å; N526-Y528 WeakPolarHBondContact O-CD2 3.48Å; N526-Y528 PolarHBondContact O-N 2.79Å; N526-Y528 VanDerWaalsContact O-N 3.15Å; N526-Y528 PolarHBondContact OD1-N 3.29Å; Y528-N530 PolarHBondContact O-N 3.4Å; Y528-N530 VanDerWaalsContact O-N 3.15Å; Y528-R531 VanDerWaalsContact CB-O 3.26Å; Y528-R531 WeakPolarHBondContact CB-O 3.48Å; Y528-R531 CarbonylContact O-C 3.59Å; Y528-R531 WeakPolarHBondContact O-CG 3.29Å; Y528-R531 PolarHBondContact O-N 2.87Å; Y528-G534 VanDerWaalsContact CE1-O 3.27Å; Y528-G534 WeakPolarHBondContact CE1-O 3.36Å; Y528-R536 HydrophobicContact CE1-CB 3.79Å; Y528-R536 HydrophobicContact CE1-CG 4.49Å
529	L	73.8	Confident	83.7	Confident	84 Å²	84	43.6 Å²	43.6	44%	0.44	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-36.8	115.3	-174.6	-65.5	172.2	0	0	0	115.4	V493 R531	V493-L529 HydrophobicContact CG1-CD2 3.51Å; L529-R531 VanDerWaalsContact C-N 3.27Å; L529-R531 PolarHBondContact O-N 2.95Å
530	N	68.6	Low	83.6	Confident	106 Å²	106	47.7 Å²	47.7	57%	0.567	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	19.4	179.3	-71.5	-65.4	0	0	0	116.5	Y184 R187 D491 Y528	Y184-N530 VanDerWaalsContact OH-C 3.25Å; Y184-N530 VanDerWaalsContact OH-CA 3.28Å; Y184-N530 WeakPolarHBondContact OH-CA 3.32Å; Y184-N530 PolarHBondContact OH-N 2.94Å; R187-N530 PolarHBondContact NH2-OD1 3.23Å; D491-N530 PolarHBondContact OD1-N 3.01Å; D491-N530 PolarHBondContact OD2-OD1 3.24Å; Y528-N530 PolarHBondContact O-N 3.4Å; Y528-N530 VanDerWaalsContact O-N 3.15Å
531	R	67.4	Low	83.7	Confident	118 Å²	118	50.8 Å²	50.8	45%	0.445	26%	0.261	S	S	.	.			trans	-152	160.3	-179.7	56.5	-169.9	161.1	177.8	0.9	112.7	Y184 Y528 L529 D533	Y184-R531 PolarHBondContact OH-N 3.01Å; Y184-R531 PolarHBondContact OH-O 2.97Å; Y528-R531 VanDerWaalsContact CB-O 3.26Å; Y528-R531 WeakPolarHBondContact CB-O 3.48Å; Y528-R531 CarbonylContact O-C 3.59Å; Y528-R531 WeakPolarHBondContact O-CG 3.29Å; Y528-R531 PolarHBondContact O-N 2.87Å; L529-R531 VanDerWaalsContact C-N 3.27Å; L529-R531 PolarHBondContact O-N 2.95Å; R531-D533 VanDerWaalsContact CD-O 3.27Å; R531-D533 WeakPolarHBondContact CD-O 3.32Å; R531-D533 VanDerWaalsContact CG-O 3.32Å; R531-D533 WeakPolarHBondContact CG-O 3.46Å
532	T	59.1	Low	83.9	Confident	27 Å²	27	52.9 Å²	52.9	17%	0.166	27%	0.271	C	S	.	.	S	Bend	trans	-99.4	5	173.6	52.6	0	0	0	0	112.3	Y184 K294	Y184-T532 HydrophobicContact CD1-CG2 3.79Å; Y184-T532 HydrophobicContact CE1-CG2 3.84Å; K294-T532 WeakPolarHBondContact CE-O 3.44Å; K294-T532 PolarHBondContact NZ-O 3.24Å
533	D	58.4	Low	84	Confident	102 Å²	102	53 Å²	53	55%	0.545	27%	0.271	S	S	.	.	S	Bend	trans	-138.3	179.7	-173.8	71.9	-23	0	0	0	113.7	R531	R531-D533 VanDerWaalsContact CD-O 3.27Å; R531-D533 WeakPolarHBondContact CD-O 3.32Å; R531-D533 VanDerWaalsContact CG-O 3.32Å; R531-D533 WeakPolarHBondContact CG-O 3.46Å
534	G	65.5	Low	84	Confident	47 Å²	47	53 Å²	53	49%	0.485	27%	0.271	S	S	.	.	S	Bend	trans	86.2	-168.2	177.7	0	0	0	0	0	116	Y528	Y528-G534 VanDerWaalsContact CE1-O 3.27Å; Y528-G534 WeakPolarHBondContact CE1-O 3.36Å
535	E	70.9	Confident	84.2	Confident	167 Å²	167	53 Å²	53	78%	0.78	27%	0.271	S	S	*	.			trans	-70.9	137.2	-178	-68.2	-175.7	166	0	0	112.4
536	R	82.2	Confident	84.4	Confident	84 Å²	84	53 Å²	53	32%	0.317	27%	0.271	S	S	.	.			trans	-79.8	125.6	176.5	-177.3	-168.2	75.7	153.8	-3	110.3	A291 A527 Y528 E565	A291-R536 WeakPolarHBondContact O-CD 3.46Å; A527-R536 HydrophobicContact CB-CG 3.9Å; Y528-R536 HydrophobicContact CE1-CB 3.79Å; Y528-R536 HydrophobicContact CE1-CG 4.49Å; R536-E565 IonicContact CZ-OE2 3.47Å; R536-E565 IonicContact NH1-OE2 2.99Å; R536-E565 PolarHBondContact NH1-OE2 2.65Å; R536-E565 IonicContact NH2-OE2 2.93Å; R536-E565 PolarHBondContact NH2-OE2 3.32Å
537	T	86.6	Confident	84.7	Confident	98 Å²	98	52.8 Å²	52.8	60%	0.601	27%	0.271	S	S	*	.			trans	-108.3	129.7	163.2	-54.9	0	0	0	0	108	A527	A527-T537 WeakPolarHBondContact CB-O 3.3Å; A527-T537 PolarHBondContact O-N 2.81Å
538	L	93	Very high	85.2	Confident	58 Å²	58	52.7 Å²	52.7	30%	0.304	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-58	136	173.9	-69.8	177.6	0	0	0	109.4	I561 E565 Y566	L538-I561 HydrophobicContact CD2-CD1 4.31Å; L538-I561 HydrophobicContact CD2-CG2 3.74Å; L538-E565 HydrophobicContact CD1-CB 4.34Å; L538-E565 HydrophobicContact CD2-CB 4.11Å; L538-Y566 HydrophobicContact CB-CE1 4.34Å
539	P	94.3	Very high	85.9	Confident	7 Å²	7	52.1 Å²	52.1	5%	0.045	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-51.1	151.6	170.7	-23	29.3	0	0	0	110.9	G524 A527 R541 Y566	G524-P539 VanDerWaalsContact O-CG 3.28Å; G524-P539 WeakPolarHBondContact O-CG 3.34Å; A527-P539 HydrophobicContact CB-CG 4.41Å; P539-R541 PolarHBondContact O-N 3.5Å; P539-Y566 WeakPolarHBondContact CB-OH 3.26Å; P539-Y566 VanDerWaalsContact CD-OH 3.25Å; P539-Y566 WeakPolarHBondContact CD-OH 3.37Å; P539-Y566 VanDerWaalsContact O-CE1 3.29Å; P539-Y566 WeakPolarHBondContact O-CE1 3.36Å; P539-Y566 PolarHBondContact O-OH 3.23Å
540	D	96.5	Very high	87.1	Confident	86 Å²	86	48.1 Å²	48.1	46%	0.46	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-52.1	142.6	171	170.5	-101.3	0	0	0	111	E542 L543 Y544	D540-E542 PolarHBondContact O-N 3.47Å; D540-E542 WeakPolarHBondContact OD1-CB 3.34Å; D540-E542 PolarHBondContact OD1-N 2.87Å; D540-L543 HydrophobicContact CB-CB 3.97Å; D540-L543 PolarHBondContact O-N 3.29Å; D540-L543 PolarHBondContact OD1-N 2.94Å; D540-Y544 WeakPolarHBondContact O-CB 3.45Å; D540-Y544 PolarHBondContact O-N 2.94Å
541	R	97.8	Very high	88.5	Confident	66 Å²	66	43.1 Å²	43.1	25%	0.249	22%	0.219	C	C	.	.	H	α-helix	trans	-66	-41.4	-172	-173.8	-170.6	-173.5	-97.1	11.7	111.9	P539 Y544 I545 Y566 D567 E569 V570	P539-R541 PolarHBondContact O-N 3.5Å; R541-Y544 PolarHBondContact O-N 3.22Å; R541-I545 HydrophobicContact CG-CD1 4.19Å; R541-I545 WeakPolarHBondContact O-CD1 3.25Å; R541-I545 VanDerWaalsContact O-CG1 3.31Å; R541-I545 WeakPolarHBondContact O-CG1 3.41Å; R541-I545 PolarHBondContact O-N 3.35Å; R541-I545 VanDerWaalsContact O-N 3.11Å; R541-Y566 HydrophobicContact CB-CD1 4.26Å; R541-Y566 HydrophobicContact CB-CE1 4.29Å; R541-Y566 HydrophobicContact CG-CD1 4.17Å; R541-D567 IonicContact CZ-OD1 3.99Å; R541-D567 IonicContact CZ-OD2 3.97Å; R541-D567 VanDerWaalsContact CZ-OD2 3.28Å; R541-D567 IonicContact NE-OD2 3.55Å; R541-D567 PolarHBondContact NE-OD2 3.48Å; R541-D567 VanDerWaalsContact NH2-CG 3.32Å; R541-D567 IonicContact NH2-OD1 3.85Å; R541-D567 PolarHBondContact NH2-OD1 2.99Å; R541-D567 IonicContact NH2-OD2 3.65Å; R541-D567 PolarHBondContact NH2-OD2 3.16Å; R541-E569 IonicContact CZ-OE1 2.81Å; R541-E569 VanDerWaalsContact CZ-OE1 3.32Å; R541-E569 IonicContact CZ-OE2 3.28Å; R541-E569 IonicContact NH1-OE1 3.67Å; R541-E569 PolarHBondContact NH1-OE1 3.11Å; R541-E569 IonicContact NH1-OE2 2.77Å; R541-E569 IonicContact NH2-OE1 2.59Å; R541-E569 PolarHBondContact NH2-OE1 3.46Å; R541-E569 IonicContact NH2-OE2 3.03Å; R541-E569 PolarHBondContact NH2-OE2 3.08Å; R541-V570 HydrophobicContact CG-CG2 4.05Å
542	E	98.6	Very high	90	Very high	43 Å²	43	37.5 Å²	37.5	20%	0.201	20%	0.198	C	C	.	.	H	α-helix	trans	-68	-45.3	177.5	-170.5	-170.4	173.1	0	0	110	W494 D540 Y544 I545 R546 G639 L675	W494-E542 HydrophobicContact CH2-CG 4.16Å; W494-E542 HydrophobicContact CZ2-CB 4.28Å; W494-E542 HydrophobicContact CZ2-CG 4.1Å; D540-E542 PolarHBondContact O-N 3.47Å; D540-E542 WeakPolarHBondContact OD1-CB 3.34Å; D540-E542 PolarHBondContact OD1-N 2.87Å; E542-Y544 VanDerWaalsContact C-N 3.32Å; E542-Y544 PolarHBondContact O-N 3.47Å; E542-I545 PolarHBondContact O-N 2.83Å; E542-R546 HydrophobicContact CG-CG 4.37Å; E542-R546 WeakPolarHBondContact O-CG 3.33Å; E542-R546 PolarHBondContact O-N 2.85Å; E542-G639 WeakPolarHBondContact OE1-CA 3.25Å; E542-G639 PolarHBondContact OE1-N 3.11Å; E542-G639 PolarHBondContact OE2-N 3.01Å; E542-L675 HydrophobicContact CG-CD1 4.08Å
543	L	98.5	Very high	91.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-54.6	-47.2	174.4	176.5	67.7	0	0	0	111.6	S492 W494 L500 D540 I545 R546 W547	S492-L543 WeakPolarHBondContact O-CD2 3.41Å; W494-L543 HydrophobicContact CD2-CD1 3.68Å; W494-L543 HydrophobicContact CE3-CD1 4.1Å; W494-L543 HydrophobicContact CG-CD1 3.93Å; W494-L543 HydrophobicContact CZ2-CB 3.91Å; W494-L543 HydrophobicContact CZ2-CD1 4.32Å; L500-L543 HydrophobicContact CB-CD1 3.96Å; L500-L543 HydrophobicContact CD2-CD1 3.86Å; D540-L543 HydrophobicContact CB-CB 3.97Å; D540-L543 PolarHBondContact O-N 3.29Å; D540-L543 PolarHBondContact OD1-N 2.94Å; L543-I545 PolarHBondContact O-N 2.88Å; L543-R546 PolarHBondContact O-N 2.87Å; L543-W547 HydrophobicContact CD1-CE3 3.89Å; L543-W547 HydrophobicContact CD1-CZ3 4.26Å; L543-W547 HydrophobicContact CG-CE3 4.16Å; L543-W547 VanDerWaalsContact O-CB 3.24Å; L543-W547 WeakPolarHBondContact O-CB 3.32Å; L543-W547 PolarHBondContact O-N 2.84Å
544	Y	98.6	Very high	93.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-44.1	178.5	-177.5	-88.4	0	0	0	111.9	I523 D540 R541 E542 W547 L548 F559 I561 P563 Y566 V570	I523-Y544 HydrophobicContact CG2-CD2 4.33Å; I523-Y544 HydrophobicContact CG2-CE1 4.42Å; I523-Y544 HydrophobicContact CG2-CE2 3.92Å; D540-Y544 WeakPolarHBondContact O-CB 3.45Å; D540-Y544 PolarHBondContact O-N 2.94Å; R541-Y544 PolarHBondContact O-N 3.22Å; E542-Y544 VanDerWaalsContact C-N 3.32Å; E542-Y544 PolarHBondContact O-N 3.47Å; Y544-W547 PolarHBondContact O-N 2.73Å; Y544-L548 WeakPolarHBondContact O-CB 3.11Å; Y544-L548 PolarHBondContact O-N 3.23Å; Y544-F559 WeakPolarHBondContact OH-CD1 3.38Å; Y544-F559 WeakPolarHBondContact OH-CE1 3.44Å; Y544-I561 HydrophobicContact CE2-CB 4.09Å; Y544-I561 HydrophobicContact CE2-CG2 4.13Å; Y544-I561 WeakPolarHBondContact CE2-O 3.35Å; Y544-I561 PolarHBondContact OH-O 3.37Å; Y544-P563 HydrophobicContact CE1-CB 4.37Å; Y544-Y566 HydrophobicContact CD1-CD2 4.32Å; Y544-Y566 AromaticContact CD1-CE2 3.89Å; Y544-Y566 HydrophobicContact CD1-CE2 3.89Å; Y544-Y566 AromaticContact CD2-CE2 3.67Å; Y544-Y566 HydrophobicContact CD2-CE2 3.67Å; Y544-Y566 AromaticContact CD2-CZ 4Å; Y544-Y566 HydrophobicContact CE1-CD2 4.4Å; Y544-Y566 HydrophobicContact CE1-CE2 4.14Å; Y544-Y566 AromaticContact CE2-CE2 3.94Å; Y544-Y566 HydrophobicContact CE2-CE2 3.94Å; Y544-Y566 HydrophobicContact CG-CD2 4.5Å; Y544-Y566 AromaticContact CG-CE2 3.64Å; Y544-Y566 HydrophobicContact CG-CE2 3.64Å; Y544-Y566 AromaticContact CG-CZ 3.85Å; Y544-V570 HydrophobicContact CD1-CG1 3.74Å; Y544-V570 HydrophobicContact CE1-CG1 3.6Å
545	I	98.8	Very high	95.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64	-50.8	177.4	-68.8	163.9	0	0	0	111	R541 E542 L543 W547 L548 E549 V570 I573 L675	R541-I545 HydrophobicContact CG-CD1 4.19Å; R541-I545 WeakPolarHBondContact O-CD1 3.25Å; R541-I545 VanDerWaalsContact O-CG1 3.31Å; R541-I545 WeakPolarHBondContact O-CG1 3.41Å; R541-I545 PolarHBondContact O-N 3.35Å; R541-I545 VanDerWaalsContact O-N 3.11Å; E542-I545 PolarHBondContact O-N 2.83Å; L543-I545 PolarHBondContact O-N 2.88Å; I545-W547 VanDerWaalsContact C-N 3.25Å; I545-W547 PolarHBondContact O-N 3Å; I545-L548 WeakPolarHBondContact O-CB 3.37Å; I545-L548 PolarHBondContact O-N 2.95Å; I545-L548 VanDerWaalsContact O-N 3.16Å; I545-E549 HydrophobicContact CG2-CG 4.43Å; I545-E549 WeakPolarHBondContact CG2-OE1 3.22Å; I545-E549 VanDerWaalsContact O-CG 3.31Å; I545-E549 WeakPolarHBondContact O-CG 3.5Å; I545-E549 PolarHBondContact O-N 3.43Å; I545-V570 HydrophobicContact CD1-CG2 4.22Å; I545-V570 HydrophobicContact CG1-CG2 4.4Å; I545-I573 HydrophobicContact CD1-CD1 3.98Å; I545-I573 HydrophobicContact CG1-CD1 4.32Å; I545-I573 HydrophobicContact CG2-CD1 4.4Å; I545-I573 HydrophobicContact CG2-CG2 4.13Å; I545-L675 HydrophobicContact CB-CD1 4.06Å; I545-L675 HydrophobicContact CD1-CD1 4.24Å; I545-L675 HydrophobicContact CD1-CD2 4.06Å; I545-L675 HydrophobicContact CD1-CG 4.29Å; I545-L675 HydrophobicContact CG2-CD1 3.55Å; I545-L675 HydrophobicContact CG2-CG 4.17Å
546	R	98.8	Very high	96.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.2	-29.7	179.2	-63.7	-48.1	-165.5	177.7	5.5	112.8	W494 L500 E542 L543 E549 L550 K640 V673 D674 E677	W494-R546 HydrophobicContact CH2-CB 3.94Å; W494-R546 HydrophobicContact CH2-CG 3.66Å; W494-R546 HydrophobicContact CZ3-CB 4.05Å; W494-R546 HydrophobicContact CZ3-CG 4.1Å; L500-R546 HydrophobicContact CD2-CB 4.02Å; E542-R546 HydrophobicContact CG-CG 4.37Å; E542-R546 WeakPolarHBondContact O-CG 3.33Å; E542-R546 PolarHBondContact O-N 2.85Å; L543-R546 PolarHBondContact O-N 2.87Å; R546-E549 WeakPolarHBondContact CD-OE2 3.32Å; R546-E549 IonicContact CZ-OE2 3.55Å; R546-E549 IonicContact NE-OE2 2.88Å; R546-E549 VanDerWaalsContact NH1-CD 3.35Å; R546-E549 IonicContact NH1-OE1 3.63Å; R546-E549 PolarHBondContact NH1-OE1 2.87Å; R546-E549 VanDerWaalsContact NH1-OE1 3.14Å; R546-E549 IonicContact NH1-OE2 3.46Å; R546-E549 PolarHBondContact NH1-OE2 3.08Å; R546-L550 PolarHBondContact O-N 2.77Å; R546-K640 PolarHBondContact NH2-O 2.9Å; R546-V673 PolarHBondContact NH2-O 2.99Å; R546-D674 PolarHBondContact NH1-O 3.33Å; R546-D674 PolarHBondContact NH2-O 3.33Å; R546-E677 PolarHBondContact NH1-O 2.71Å
547	W	98.8	Very high	97.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-71.5	-42.7	172.9	-154	-48.9	0	0	0	112.1	R490 D491 L500 M522 G524 L543 Y544 I545 L550 S551	R490-W547 HydrophobicContact CB-CH2 3.83Å; R490-W547 HydrophobicContact CB-CZ2 3.73Å; R490-W547 HydrophobicContact CG-CZ2 4.5Å; D491-W547 WeakPolarHBondContact O-CH2 3.5Å; L500-W547 HydrophobicContact CB-CD2 4.41Å; L500-W547 HydrophobicContact CB-CE3 3.85Å; L500-W547 HydrophobicContact CB-CZ3 3.99Å; L500-W547 HydrophobicContact CD1-CB 4.05Å; L500-W547 HydrophobicContact CD1-CD2 3.84Å; L500-W547 HydrophobicContact CD1-CE3 4.12Å; L500-W547 HydrophobicContact CD1-CG 3.81Å; L500-W547 HydrophobicContact CG-CE3 4.42Å; M522-W547 PolarHBondContact O-NE1 2.87Å; G524-W547 VanDerWaalsContact N-CG 3.28Å; L543-W547 HydrophobicContact CD1-CE3 3.89Å; L543-W547 HydrophobicContact CD1-CZ3 4.26Å; L543-W547 HydrophobicContact CG-CE3 4.16Å; L543-W547 VanDerWaalsContact O-CB 3.24Å; L543-W547 WeakPolarHBondContact O-CB 3.32Å; L543-W547 PolarHBondContact O-N 2.84Å; Y544-W547 PolarHBondContact O-N 2.73Å; I545-W547 VanDerWaalsContact C-N 3.25Å; I545-W547 PolarHBondContact O-N 3Å; W547-L550 PolarHBondContact O-N 3.49Å; W547-S551 WeakPolarHBondContact O-CB 3.44Å; W547-S551 PolarHBondContact O-N 2.81Å; W547-S551 PolarHBondContact O-OG 3.4Å
548	L	98.8	Very high	98	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.1	-46.4	173.6	163.1	64.9	0	0	0	111.6	I523 Y544 I545 L550 S551 A552 M557 F559 I573 A574 Y577	I523-L548 HydrophobicContact CD1-CD1 4.06Å; I523-L548 HydrophobicContact CG2-CB 3.72Å; Y544-L548 WeakPolarHBondContact O-CB 3.11Å; Y544-L548 PolarHBondContact O-N 3.23Å; I545-L548 WeakPolarHBondContact O-CB 3.37Å; I545-L548 PolarHBondContact O-N 2.95Å; I545-L548 VanDerWaalsContact O-N 3.16Å; L548-L550 VanDerWaalsContact C-N 3.34Å; L548-L550 PolarHBondContact O-N 3.06Å; L548-S551 PolarHBondContact O-N 3.09Å; L548-A552 WeakPolarHBondContact O-CB 3.43Å; L548-A552 PolarHBondContact O-N 2.98Å; L548-M557 HydrophobicContact CD1-CE 3.69Å; L548-F559 HydrophobicContact CD1-CE1 3.99Å; L548-F559 HydrophobicContact CD1-CZ 3.73Å; L548-I573 HydrophobicContact CD2-CG2 3.94Å; L548-A574 HydrophobicContact CD2-CB 3.86Å; L548-Y577 HydrophobicContact CG-CD2 4.43Å; L548-Y577 HydrophobicContact CG-CG 4.46Å
549	E	98.7	Very high	98.2	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-53.9	-48.9	174.5	-74.5	170.6	-173	0	0	111.3	I545 R546 Y577 D676 I678	I545-E549 HydrophobicContact CG2-CG 4.43Å; I545-E549 WeakPolarHBondContact CG2-OE1 3.22Å; I545-E549 VanDerWaalsContact O-CG 3.31Å; I545-E549 WeakPolarHBondContact O-CG 3.5Å; I545-E549 PolarHBondContact O-N 3.43Å; R546-E549 WeakPolarHBondContact CD-OE2 3.32Å; R546-E549 IonicContact CZ-OE2 3.55Å; R546-E549 IonicContact NE-OE2 2.88Å; R546-E549 VanDerWaalsContact NH1-CD 3.35Å; R546-E549 IonicContact NH1-OE1 3.63Å; R546-E549 PolarHBondContact NH1-OE1 2.87Å; R546-E549 VanDerWaalsContact NH1-OE1 3.14Å; R546-E549 IonicContact NH1-OE2 3.46Å; R546-E549 PolarHBondContact NH1-OE2 3.08Å; E549-Y577 HydrophobicContact CB-CE1 4.46Å; E549-Y577 HydrophobicContact CG-CD2 4.12Å; E549-Y577 HydrophobicContact CG-CE1 4.21Å; E549-Y577 HydrophobicContact CG-CE2 3.51Å; E549-D676 VanDerWaalsContact OE1-CA 3.29Å; E549-D676 WeakPolarHBondContact OE1-CA 3.32Å; E549-D676 PolarHBondContact OE1-N 2.71Å; E549-I678 HydrophobicContact CB-CB 4.31Å; E549-I678 HydrophobicContact CB-CD1 4.31Å; E549-I678 WeakPolarHBondContact O-CD1 3.44Å
550	L	98.8	Very high	98.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-66	-50	177.8	177.8	51.2	0	0	0	112.7	L500 L503 I504 R546 W547 L548 A552 F553 M554 F624 P634 L636	L500-L550 HydrophobicContact CD1-CD2 3.73Å; L503-L550 HydrophobicContact CB-CD2 4.2Å; L503-L550 HydrophobicContact CD2-CD2 3.86Å; L503-L550 HydrophobicContact CD2-CG 4.23Å; L503-L550 HydrophobicContact CG-CD2 4.27Å; I504-L550 HydrophobicContact CD1-CD1 4.23Å; I504-L550 HydrophobicContact CD1-CD2 4.47Å; I504-L550 HydrophobicContact CG1-CD1 4.09Å; I504-L550 HydrophobicContact CG1-CD2 4.16Å; R546-L550 PolarHBondContact O-N 2.77Å; W547-L550 PolarHBondContact O-N 3.49Å; L548-L550 VanDerWaalsContact C-N 3.34Å; L548-L550 PolarHBondContact O-N 3.06Å; L550-A552 PolarHBondContact O-N 3.37Å; L550-F553 PolarHBondContact O-N 2.92Å; L550-M554 HydrophobicContact CD1-CE 3.55Å; L550-M554 HydrophobicContact CG-CE 4.08Å; L550-F624 HydrophobicContact CD1-CE1 3.46Å; L550-F624 VanDerWaalsContact CD1-CE1 3.46Å; L550-F624 HydrophobicContact CD1-CZ 3.96Å; L550-P634 HydrophobicContact CB-CB 4.35Å; L550-P634 HydrophobicContact CD1-CB 4.31Å; L550-P634 HydrophobicContact CD1-CG 3.93Å; L550-P634 HydrophobicContact CD2-CG 4.44Å; L550-L636 HydrophobicContact CD2-CD2 4.16Å
551	S	98.4	Very high	98.3	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-62.4	-27.3	-178.8	-68.7	0	0	0	0	113	W547 L548 F553 M554	W547-S551 WeakPolarHBondContact O-CB 3.44Å; W547-S551 PolarHBondContact O-N 2.81Å; W547-S551 PolarHBondContact O-OG 3.4Å; L548-S551 PolarHBondContact O-N 3.09Å; S551-F553 PolarHBondContact O-N 3.38Å; S551-M554 WeakPolarHBondContact O-CB 3.44Å; S551-M554 PolarHBondContact O-N 3.03Å; S551-M554 VanDerWaalsContact O-N 3.13Å
552	A	98.7	Very high	98.3	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.011	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.4	173.7	0	0	0	0	0	113.6	L548 L550 M557 Y577 H581	L548-A552 WeakPolarHBondContact O-CB 3.43Å; L548-A552 PolarHBondContact O-N 2.98Å; L550-A552 PolarHBondContact O-N 3.37Å; A552-M557 HydrophobicContact CB-CE 3.94Å; A552-M557 HydrophobicContact CB-SD 4.3Å; A552-Y577 HydrophobicContact CB-CD1 3.63Å; A552-Y577 HydrophobicContact CB-CG 4.16Å; A552-H581 HydrophobicContact CB-CB 4.37Å; A552-H581 WeakPolarHBondContact O-CB 3.5Å; A552-H581 PolarHBondContact O-ND1 2.81Å
553	F	98.8	Very high	98.3	Very high	0 Å²	0	0.2 Å²	0.2	0%	0	0%	0.001	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	13.4	176.1	-75	-98.2	0	0	0	113.5	L550 S551 Y577 I580 V585 F624 I626 V632 I678 Y680	L550-F553 PolarHBondContact O-N 2.92Å; S551-F553 PolarHBondContact O-N 3.38Å; F553-Y577 HydrophobicContact CE2-CE1 4.28Å; F553-I580 HydrophobicContact CE2-CG2 3.77Å; F553-I580 HydrophobicContact CZ-CG2 3.66Å; F553-V585 HydrophobicContact CD1-CG2 3.61Å; F553-V585 HydrophobicContact CE1-CG2 3.87Å; F553-V585 HydrophobicContact CG-CG2 4.04Å; F553-V585 HydrophobicContact CZ-CG2 4.46Å; F553-F624 HydrophobicContact CB-CE2 4.3Å; F553-F624 HydrophobicContact CB-CZ 3.82Å; F553-F624 WeakPolarHBondContact O-CE2 3.28Å; F553-I626 HydrophobicContact CB-CD1 4.3Å; F553-I626 HydrophobicContact CD1-CD1 4.27Å; F553-I626 WeakPolarHBondContact O-CD1 3.35Å; F553-V632 HydrophobicContact CB-CG1 3.93Å; F553-V632 HydrophobicContact CB-CG2 4.06Å; F553-V632 HydrophobicContact CD1-CB 4.48Å; F553-V632 HydrophobicContact CD1-CG1 4.08Å; F553-V632 HydrophobicContact CD1-CG2 3.5Å; F553-V632 VanDerWaalsContact CD1-CG2 3.5Å; F553-V632 HydrophobicContact CD2-CG1 4.47Å; F553-V632 HydrophobicContact CE1-CG2 4.28Å; F553-V632 HydrophobicContact CG-CG1 3.89Å; F553-V632 HydrophobicContact CG-CG2 4.03Å; F553-I678 HydrophobicContact CD2-CD1 4.08Å; F553-I678 HydrophobicContact CD2-CG2 4.01Å; F553-I678 HydrophobicContact CE2-CG2 3.4Å; F553-I678 HydrophobicContact CZ-CG2 4.04Å; F553-Y680 AromaticContact CE1-CD1 3.84Å; F553-Y680 HydrophobicContact CE1-CD1 3.84Å; F553-Y680 HydrophobicContact CE1-CD2 4.36Å; F553-Y680 HydrophobicContact CE1-CE1 4.43Å; F553-Y680 AromaticContact CE1-CG 3.79Å; F553-Y680 HydrophobicContact CE1-CG 3.79Å; F553-Y680 HydrophobicContact CE2-CD1 4.42Å; F553-Y680 AromaticContact CZ-CD1 3.45Å; F553-Y680 HydrophobicContact CZ-CD1 3.45Å; F553-Y680 VanDerWaalsContact CZ-CD1 3.45Å; F553-Y680 AromaticContact CZ-CE1 3.83Å; F553-Y680 HydrophobicContact CZ-CE1 3.83Å; F553-Y680 AromaticContact CZ-CG 3.92Å; F553-Y680 HydrophobicContact CZ-CG 3.92Å
554	M	98.3	Very high	98.3	Very high	1 Å²	1	1.9 Å²	1.9	1%	0.005	1%	0.007	C	C	.	.	S	Bend	trans	-98.2	169	173	-67.2	-67.6	170.2	0	0	111.3	I504 V507 P520 L550 S551 S556 H581 F624	I504-M554 HydrophobicContact CG1-CE 4.27Å; V507-M554 HydrophobicContact CB-SD 4.38Å; V507-M554 HydrophobicContact CG1-SD 3.9Å; V507-M554 HydrophobicContact CG2-CE 4.28Å; V507-M554 HydrophobicContact CG2-SD 3.99Å; P520-M554 HydrophobicContact CB-CB 3.93Å; P520-M554 HydrophobicContact CB-CG 3.72Å; P520-M554 HydrophobicContact CB-SD 4.43Å; P520-M554 HydrophobicContact CG-CB 3.6Å; P520-M554 HydrophobicContact CG-CG 3.86Å; L550-M554 HydrophobicContact CD1-CE 3.55Å; L550-M554 HydrophobicContact CG-CE 4.08Å; S551-M554 WeakPolarHBondContact O-CB 3.44Å; S551-M554 PolarHBondContact O-N 3.03Å; S551-M554 VanDerWaalsContact O-N 3.13Å; M554-S556 PolarHBondContact O-N 3.1Å; M554-S556 VanDerWaalsContact O-N 3.1Å; M554-H581 PolarHBondContact O-CE1 3.06Å; M554-H581 VanDerWaalsContact O-CE1 3.28Å; M554-F624 HydrophobicContact CE-CD1 4.36Å; M554-F624 HydrophobicContact CE-CE1 3.84Å; M554-F624 HydrophobicContact CE-CE2 4.38Å; M554-F624 HydrophobicContact CE-CZ 3.82Å; M554-F624 HydrophobicContact SD-CZ 4.49Å
555	P	98.3	Very high	98.2	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.006	2%	0.021	C	C	.	.	S	Bend	trans	-66.5	-12.4	-175.8	-22.3	34.6	0	0	0	115.5	F282 F484 I518 V589 I603 I604	F282-P555 WeakPolarHBondContact CD1-O 3.5Å; F484-P555 HydrophobicContact CE1-CB 4.38Å; I518-P555 HydrophobicContact CB-CG 4.48Å; I518-P555 WeakPolarHBondContact O-CB 3.31Å; P555-V589 HydrophobicContact CB-CG1 3.87Å; P555-I603 HydrophobicContact CG-CG2 4.47Å; P555-I604 HydrophobicContact CG-CD1 4.04Å; P555-I604 HydrophobicContact CG-CG1 3.72Å
556	S	98.1	Very high	98.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.03	C	C	.	.			trans	-159.2	162	173.5	-172.3	0	0	0	0	110.4	M281 F484 L519 P520 M554	M281-S556 VanDerWaalsContact O-CB 3.26Å; M281-S556 WeakPolarHBondContact O-CB 3.5Å; M281-S556 PolarHBondContact O-OG 3.36Å; F484-S556 VanDerWaalsContact CE1-CB 3.49Å; L519-S556 WeakPolarHBondContact CD1-OG 3.39Å; P520-S556 WeakPolarHBondContact CD-O 3.31Å; P520-S556 WeakPolarHBondContact CG-O 3.49Å; M554-S556 PolarHBondContact O-N 3.1Å; M554-S556 VanDerWaalsContact O-N 3.1Å
557	M	98.5	Very high	98.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	4%	0.044	C	C	.	.			trans	-120.8	139.7	177.5	-60.8	179.2	79.4	0	0	110.2	P285 I286 I523 L548 A552 F559 T578 H581	P285-M557 CarbonylContact C-O 3.54Å; P285-M557 WeakPolarHBondContact CA-O 3.46Å; P285-M557 HydrophobicContact CB-CB 4.08Å; I286-M557 PolarHBondContact N-O 3.26Å; I523-M557 HydrophobicContact CD1-CB 4.37Å; I523-M557 HydrophobicContact CD1-CE 3.89Å; L548-M557 HydrophobicContact CD1-CE 3.69Å; A552-M557 HydrophobicContact CB-CE 3.94Å; A552-M557 HydrophobicContact CB-SD 4.3Å; M557-F559 HydrophobicContact CE-CZ 4.41Å; M557-T578 HydrophobicContact CE-CG2 4.03Å; M557-T578 HydrophobicContact SD-CG2 4.13Å; M557-H581 HydrophobicContact SD-CB 3.6Å; M557-H581 VanDerWaalsContact SD-CB 3.6Å; M557-H581 VanDerWaalsContact SD-CG 3.54Å
558	Q	98.4	Very high	98	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	121.3	171.4	-177.3	178.4	64.9	0	0	110.2	I286 E320 E471 L519 M522 I523	I286-Q558 HydrophobicContact CB-CB 4.13Å; I286-Q558 HydrophobicContact CB-CG 4.05Å; I286-Q558 HydrophobicContact CG2-CG 4.21Å; I286-Q558 WeakPolarHBondContact O-CA 3.34Å; E320-Q558 PolarHBondContact OE2-NE2 3.26Å; E471-Q558 PolarHBondContact OE2-NE2 3.46Å; L519-Q558 HydrophobicContact CD1-CB 4.05Å; L519-Q558 HydrophobicContact CD2-CB 4.44Å; M522-Q558 HydrophobicContact CG-CG 4.37Å; I523-Q558 WeakPolarHBondContact CG1-O 3.26Å; I523-Q558 PolarHBondContact N-O 2.95Å
559	F	98.5	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	143	167.5	-71.1	-75.9	0	0	0	109.7	P285 I286 W287 S288 I523 Y544 L548 M557 A574 T578	P285-F559 HydrophobicContact CB-CD2 3.65Å; P285-F559 HydrophobicContact CB-CE2 3.8Å; P285-F559 HydrophobicContact CG-CD2 4.17Å; P285-F559 HydrophobicContact CG-CE2 4.05Å; I286-F559 PolarHBondContact O-N 2.98Å; W287-F559 HydrophobicContact CD2-CB 4.15Å; W287-F559 HydrophobicContact CD2-CD2 4.3Å; W287-F559 AromaticContact CE2-CD2 3.96Å; W287-F559 HydrophobicContact CE3-CB 3.63Å; W287-F559 HydrophobicContact CE3-CD2 4.27Å; W287-F559 HydrophobicContact CE3-CG 4.21Å; W287-F559 HydrophobicContact CH2-CB 4.24Å; W287-F559 AromaticContact CH2-CD2 3.57Å; W287-F559 HydrophobicContact CH2-CD2 3.57Å; W287-F559 HydrophobicContact CH2-CE2 4.05Å; W287-F559 AromaticContact CH2-CG 3.91Å; W287-F559 HydrophobicContact CH2-CG 3.91Å; W287-F559 AromaticContact CZ2-CD2 3.59Å; W287-F559 HydrophobicContact CZ2-CD2 3.59Å; W287-F559 HydrophobicContact CZ2-CE2 4.01Å; W287-F559 HydrophobicContact CZ2-CG 4.35Å; W287-F559 HydrophobicContact CZ3-CB 3.68Å; W287-F559 AromaticContact CZ3-CD2 3.93Å; W287-F559 HydrophobicContact CZ3-CD2 3.93Å; W287-F559 AromaticContact CZ3-CG 3.84Å; W287-F559 HydrophobicContact CZ3-CG 3.84Å; S288-F559 PolarHBondContact N-O 2.89Å; I523-F559 HydrophobicContact CB-CD1 4.22Å; I523-F559 HydrophobicContact CB-CE1 4.39Å; I523-F559 HydrophobicContact CD1-CD1 3.8Å; I523-F559 HydrophobicContact CD1-CD2 4.35Å; I523-F559 HydrophobicContact CD1-CE1 3.55Å; I523-F559 HydrophobicContact CD1-CE2 4.11Å; I523-F559 HydrophobicContact CD1-CG 4.2Å; I523-F559 HydrophobicContact CD1-CZ 3.71Å; I523-F559 HydrophobicContact CG2-CD1 4.35Å; I523-F559 HydrophobicContact CG2-CE1 4.16Å; Y544-F559 WeakPolarHBondContact OH-CD1 3.38Å; Y544-F559 WeakPolarHBondContact OH-CE1 3.44Å; L548-F559 HydrophobicContact CD1-CE1 3.99Å; L548-F559 HydrophobicContact CD1-CZ 3.73Å; M557-F559 HydrophobicContact CE-CZ 4.41Å; F559-A574 HydrophobicContact CZ-CB 4.24Å; F559-T578 HydrophobicContact CE2-CG2 3.87Å; F559-T578 HydrophobicContact CZ-CG2 4.22Å
560	S	96.1	Very high	98	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	10%	0.1	C	C	.	.	S	Bend	trans	-139.6	-37.2	174.2	-161.2	0	0	0	0	111.2	A291 L292 M522 P562	A291-S560 WeakPolarHBondContact CB-OG 3.42Å; A291-S560 PolarHBondContact N-OG 3.11Å; L292-S560 VanDerWaalsContact CB-O 3.24Å; L292-S560 WeakPolarHBondContact CB-O 3.43Å; L292-S560 PolarHBondContact N-O 3.45Å; M522-S560 WeakPolarHBondContact SD-CB 3.33Å; M522-S560 PolarHBondContact SD-OG 3.48Å; S560-P562 WeakPolarHBondContact O-CD 3.28Å
561	I	96.6	Very high	98	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-91.6	116.5	151.5	-57.9	-58	0	0	0	108.1	A291 A527 L538 Y544 E565 Y566	A291-I561 HydrophobicContact CB-CD1 3.64Å; A291-I561 HydrophobicContact CB-CG1 3.91Å; A291-I561 WeakPolarHBondContact O-CD1 3.31Å; A527-I561 HydrophobicContact CB-CD1 4.02Å; A527-I561 HydrophobicContact CB-CG1 4.16Å; L538-I561 HydrophobicContact CD2-CD1 4.31Å; L538-I561 HydrophobicContact CD2-CG2 3.74Å; Y544-I561 HydrophobicContact CE2-CB 4.09Å; Y544-I561 HydrophobicContact CE2-CG2 4.13Å; Y544-I561 WeakPolarHBondContact CE2-O 3.35Å; Y544-I561 PolarHBondContact OH-O 3.37Å; I561-E565 HydrophobicContact CG2-CB 4.34Å; I561-E565 HydrophobicContact CG2-CG 4.45Å; I561-Y566 HydrophobicContact CG2-CE2 3.87Å
562	P	97.4	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.			trans	-71.8	152.8	174.6	-24	36.2	0	0	0	113.7	W287 L292 F305 S560 W564 E565	W287-P562 HydrophobicContact CZ3-CB 4.2Å; L292-P562 HydrophobicContact CD2-CG 3.9Å; F305-P562 HydrophobicContact CD2-CG 4.4Å; F305-P562 HydrophobicContact CE2-CG 3.61Å; F305-P562 HydrophobicContact CZ-CG 4.46Å; S560-P562 WeakPolarHBondContact O-CD 3.28Å; P562-W564 HydrophobicContact CB-CD2 3.55Å; P562-W564 HydrophobicContact CB-CE3 3.92Å; P562-W564 HydrophobicContact CB-CG 4.13Å; P562-W564 HydrophobicContact CB-CH2 3.68Å; P562-W564 HydrophobicContact CB-CZ2 3.31Å; P562-W564 HydrophobicContact CB-CZ3 3.97Å; P562-W564 HydrophobicContact CG-CH2 4.08Å; P562-W564 HydrophobicContact CG-CZ2 3.48Å; P562-W564 VanDerWaalsContact CG-CZ2 3.48Å; P562-W564 PolarHBondContact O-N 3.18Å; P562-E565 HydrophobicContact CB-CG 4.45Å; P562-E565 WeakPolarHBondContact O-CB 3.16Å; P562-E565 PolarHBondContact O-N 2.87Å; P562-E565 VanDerWaalsContact O-N 3.14Å
563	P	98.2	Very high	98	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-65	-26.8	-180	26.6	-35.8	0	0	0	113.1	F314 Y544 E565 Y566 V570 V571 A574	F314-P563 HydrophobicContact CE2-CG 3.88Å; F314-P563 HydrophobicContact CZ-CG 3.71Å; Y544-P563 HydrophobicContact CE1-CB 4.37Å; P563-E565 PolarHBondContact O-N 2.84Å; P563-Y566 PolarHBondContact O-N 2.92Å; P563-Y566 VanDerWaalsContact O-N 3.17Å; P563-V570 HydrophobicContact CB-CG1 3.79Å; P563-V571 HydrophobicContact CB-CG2 4.13Å; P563-V571 HydrophobicContact CG-CG2 4.32Å; P563-A574 HydrophobicContact CB-CB 3.75Å; P563-A574 HydrophobicContact CG-CB 3.71Å
564	W	97.8	Very high	98	Very high	36 Å²	36	26.5 Å²	26.5	14%	0.136	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-74.9	-2.8	177.9	62.7	69.2	0	0	0	114.5	W287 F305 N308 I309 H312 F314 P562 V571	W287-W564 HydrophobicContact CE3-CH2 4.07Å; W287-W564 HydrophobicContact CH2-CH2 4.1Å; W287-W564 AromaticContact CH2-CZ3 3.82Å; W287-W564 HydrophobicContact CH2-CZ3 3.82Å; W287-W564 AromaticContact CZ3-CH2 3.52Å; W287-W564 HydrophobicContact CZ3-CH2 3.52Å; W287-W564 AromaticContact CZ3-CZ3 3.67Å; W287-W564 HydrophobicContact CZ3-CZ3 3.67Å; F305-W564 HydrophobicContact CD2-CZ2 4.35Å; F305-W564 HydrophobicContact CE2-CZ2 4.41Å; N308-W564 HydrophobicContact CB-CD2 4.5Å; N308-W564 HydrophobicContact CB-CH2 4.16Å; N308-W564 HydrophobicContact CB-CZ2 3.66Å; I309-W564 HydrophobicContact CB-CH2 4.48Å; I309-W564 HydrophobicContact CG1-CH2 3.67Å; I309-W564 HydrophobicContact CG1-CZ3 4.43Å; H312-W564 HydrophobicContact CB-CE3 3.95Å; H312-W564 HydrophobicContact CB-CZ3 4.33Å; H312-W564 AromaticContact CD2-CD2 4Å; H312-W564 AromaticContact CD2-CE3 3.84Å; H312-W564 AromaticContact CG-CE3 3.8Å; F314-W564 HydrophobicContact CD2-CE3 4.46Å; F314-W564 AromaticContact CD2-CZ3 3.96Å; F314-W564 HydrophobicContact CD2-CZ3 3.96Å; F314-W564 HydrophobicContact CE2-CE3 4.19Å; F314-W564 HydrophobicContact CE2-CZ3 4.1Å; P562-W564 HydrophobicContact CB-CD2 3.55Å; P562-W564 HydrophobicContact CB-CE3 3.92Å; P562-W564 HydrophobicContact CB-CG 4.13Å; P562-W564 HydrophobicContact CB-CH2 3.68Å; P562-W564 HydrophobicContact CB-CZ2 3.31Å; P562-W564 HydrophobicContact CB-CZ3 3.97Å; P562-W564 HydrophobicContact CG-CH2 4.08Å; P562-W564 HydrophobicContact CG-CZ2 3.48Å; P562-W564 VanDerWaalsContact CG-CZ2 3.48Å; P562-W564 PolarHBondContact O-N 3.18Å; W564-V571 HydrophobicContact CB-CG2 3.82Å
565	E	97.4	Very high	98	Very high	63 Å²	63	31.2 Å²	31.2	29%	0.294	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-75.7	-14.7	167.5	-63.3	-75.9	112.7	0	0	112	L292 R536 L538 I561 P562 P563	L292-E565 VanDerWaalsContact CD1-CD 3.45Å; L292-E565 HydrophobicContact CD1-CG 4.1Å; L292-E565 WeakPolarHBondContact CD1-OE2 3.4Å; R536-E565 IonicContact CZ-OE2 3.47Å; R536-E565 IonicContact NH1-OE2 2.99Å; R536-E565 PolarHBondContact NH1-OE2 2.65Å; R536-E565 IonicContact NH2-OE2 2.93Å; R536-E565 PolarHBondContact NH2-OE2 3.32Å; L538-E565 HydrophobicContact CD1-CB 4.34Å; L538-E565 HydrophobicContact CD2-CB 4.11Å; I561-E565 HydrophobicContact CG2-CB 4.34Å; I561-E565 HydrophobicContact CG2-CG 4.45Å; P562-E565 HydrophobicContact CB-CG 4.45Å; P562-E565 WeakPolarHBondContact O-CB 3.16Å; P562-E565 PolarHBondContact O-N 2.87Å; P562-E565 VanDerWaalsContact O-N 3.14Å; P563-E565 PolarHBondContact O-N 2.84Å
566	Y	97.6	Very high	98	Very high	47 Å²	47	34.7 Å²	34.7	18%	0.184	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-87.6	176.3	-65.9	-90.1	0	0	0	111.1	L538 P539 R541 Y544 I561 P563 V570	L538-Y566 HydrophobicContact CB-CE1 4.34Å; P539-Y566 WeakPolarHBondContact CB-OH 3.26Å; P539-Y566 VanDerWaalsContact CD-OH 3.25Å; P539-Y566 WeakPolarHBondContact CD-OH 3.37Å; P539-Y566 VanDerWaalsContact O-CE1 3.29Å; P539-Y566 WeakPolarHBondContact O-CE1 3.36Å; P539-Y566 PolarHBondContact O-OH 3.23Å; R541-Y566 HydrophobicContact CB-CD1 4.26Å; R541-Y566 HydrophobicContact CB-CE1 4.29Å; R541-Y566 HydrophobicContact CG-CD1 4.17Å; Y544-Y566 HydrophobicContact CD1-CD2 4.32Å; Y544-Y566 AromaticContact CD1-CE2 3.89Å; Y544-Y566 HydrophobicContact CD1-CE2 3.89Å; Y544-Y566 AromaticContact CD2-CE2 3.67Å; Y544-Y566 HydrophobicContact CD2-CE2 3.67Å; Y544-Y566 AromaticContact CD2-CZ 4Å; Y544-Y566 HydrophobicContact CE1-CD2 4.4Å; Y544-Y566 HydrophobicContact CE1-CE2 4.14Å; Y544-Y566 AromaticContact CE2-CE2 3.94Å; Y544-Y566 HydrophobicContact CE2-CE2 3.94Å; Y544-Y566 HydrophobicContact CG-CD2 4.5Å; Y544-Y566 AromaticContact CG-CE2 3.64Å; Y544-Y566 HydrophobicContact CG-CE2 3.64Å; Y544-Y566 AromaticContact CG-CZ 3.85Å; I561-Y566 HydrophobicContact CG2-CE2 3.87Å; P563-Y566 PolarHBondContact O-N 2.92Å; P563-Y566 VanDerWaalsContact O-N 3.17Å; Y566-V570 HydrophobicContact CD2-CG1 4.13Å; Y566-V570 HydrophobicContact CG-CG1 4.4Å; Y566-V570 HydrophobicContact CG-CG2 4.28Å
567	D	97.2	Very high	98.1	Very high	55 Å²	55	34.9 Å²	34.9	29%	0.294	16%	0.161	S	C	.	.			trans	-160.5	177.5	-175	61	60.4	0	0	0	111.3	R541 E569 V570 V571	R541-D567 IonicContact CZ-OD1 3.99Å; R541-D567 IonicContact CZ-OD2 3.97Å; R541-D567 VanDerWaalsContact CZ-OD2 3.28Å; R541-D567 IonicContact NE-OD2 3.55Å; R541-D567 PolarHBondContact NE-OD2 3.48Å; R541-D567 VanDerWaalsContact NH2-CG 3.32Å; R541-D567 IonicContact NH2-OD1 3.85Å; R541-D567 PolarHBondContact NH2-OD1 2.99Å; R541-D567 IonicContact NH2-OD2 3.65Å; R541-D567 PolarHBondContact NH2-OD2 3.16Å; D567-E569 VanDerWaalsContact C-N 3.33Å; D567-E569 PolarHBondContact O-N 3.37Å; D567-E569 WeakPolarHBondContact OD1-CA 3.24Å; D567-E569 VanDerWaalsContact OD1-CB 3.32Å; D567-E569 WeakPolarHBondContact OD1-CB 3.18Å; D567-E569 PolarHBondContact OD1-N 2.9Å; D567-V570 PolarHBondContact OD1-N 2.87Å; D567-V571 WeakPolarHBondContact O-CG2 3.35Å; D567-V571 PolarHBondContact O-N 3.18Å
568	N	98.1	Very high	98.1	Very high	129 Å²	129	35.7 Å²	35.7	69%	0.69	17%	0.166	S	C	*	.	H	α-helix	trans	-69.1	-27.3	-177.7	-70.2	-25.4	0	0	0	113.7	V571 E572	N568-V571 PolarHBondContact O-N 2.87Å; N568-E572 PolarHBondContact O-N 3.07Å
569	E	98.4	Very high	98.1	Very high	102 Å²	102	38.3 Å²	38.3	48%	0.477	19%	0.187	S	C	.	.	H	α-helix	trans	-70.9	-44.6	178.9	-179.6	-158.8	122.7	0	0	109.3	R541 D567 V571 E572 I573	R541-E569 IonicContact CZ-OE1 2.81Å; R541-E569 VanDerWaalsContact CZ-OE1 3.32Å; R541-E569 IonicContact CZ-OE2 3.28Å; R541-E569 IonicContact NH1-OE1 3.67Å; R541-E569 PolarHBondContact NH1-OE1 3.11Å; R541-E569 IonicContact NH1-OE2 2.77Å; R541-E569 IonicContact NH2-OE1 2.59Å; R541-E569 PolarHBondContact NH2-OE1 3.46Å; R541-E569 IonicContact NH2-OE2 3.03Å; R541-E569 PolarHBondContact NH2-OE2 3.08Å; D567-E569 VanDerWaalsContact C-N 3.33Å; D567-E569 PolarHBondContact O-N 3.37Å; D567-E569 WeakPolarHBondContact OD1-CA 3.24Å; D567-E569 VanDerWaalsContact OD1-CB 3.32Å; D567-E569 WeakPolarHBondContact OD1-CB 3.18Å; D567-E569 PolarHBondContact OD1-N 2.9Å; E569-V571 PolarHBondContact O-N 2.72Å; E569-E572 PolarHBondContact O-N 2.69Å; E569-E572 VanDerWaalsContact O-N 3.1Å; E569-I573 HydrophobicContact CG-CD1 4.06Å; E569-I573 VanDerWaalsContact O-CG1 3.26Å; E569-I573 WeakPolarHBondContact O-CG1 3.27Å; E569-I573 PolarHBondContact O-N 2.67Å
570	V	98.6	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-34.4	172.6	-175.9	0	0	0	0	111.8	R541 Y544 I545 P563 Y566 D567 A574	R541-V570 HydrophobicContact CG-CG2 4.05Å; Y544-V570 HydrophobicContact CD1-CG1 3.74Å; Y544-V570 HydrophobicContact CE1-CG1 3.6Å; I545-V570 HydrophobicContact CD1-CG2 4.22Å; I545-V570 HydrophobicContact CG1-CG2 4.4Å; P563-V570 HydrophobicContact CB-CG1 3.79Å; Y566-V570 HydrophobicContact CD2-CG1 4.13Å; Y566-V570 HydrophobicContact CG-CG1 4.4Å; Y566-V570 HydrophobicContact CG-CG2 4.28Å; D567-V570 PolarHBondContact OD1-N 2.87Å; V570-A574 VanDerWaalsContact O-CB 3.31Å; V570-A574 WeakPolarHBondContact O-CB 3.41Å; V570-A574 PolarHBondContact O-N 2.96Å
571	V	98.8	Very high	98.2	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.03	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-46.3	172.9	171.6	0	0	0	0	112.1	H312 F314 P563 W564 D567 N568 E569 A574 R575	H312-V571 HydrophobicContact CB-CG1 4.39Å; F314-V571 HydrophobicContact CE2-CG1 4.26Å; F314-V571 HydrophobicContact CZ-CG1 4.29Å; P563-V571 HydrophobicContact CB-CG2 4.13Å; P563-V571 HydrophobicContact CG-CG2 4.32Å; W564-V571 HydrophobicContact CB-CG2 3.82Å; D567-V571 WeakPolarHBondContact O-CG2 3.35Å; D567-V571 PolarHBondContact O-N 3.18Å; N568-V571 PolarHBondContact O-N 2.87Å; E569-V571 PolarHBondContact O-N 2.72Å; V571-A574 PolarHBondContact O-N 3.26Å; V571-R575 WeakPolarHBondContact O-CG 3.18Å; V571-R575 PolarHBondContact O-N 3.28Å
572	E	98.6	Very high	98.3	Very high	110 Å²	110	43.1 Å²	43.1	51%	0.514	21%	0.21	S	C	.	.	H	α-helix	trans	-69.3	-36.4	178.4	-67.2	-51.3	131.5	0	0	112.3	N568 E569 A574 R575 K576	N568-E572 PolarHBondContact O-N 3.07Å; E569-E572 PolarHBondContact O-N 2.69Å; E569-E572 VanDerWaalsContact O-N 3.1Å; E572-A574 PolarHBondContact O-N 2.76Å; E572-R575 PolarHBondContact O-N 3.42Å; E572-R575 IonicContact OE1-NE 2.76Å; E572-R575 IonicContact OE2-NE 3.92Å; E572-K576 WeakPolarHBondContact O-CB 3.42Å; E572-K576 PolarHBondContact O-N 2.8Å
573	I	98.8	Very high	98.3	Very high	7 Å²	7	47 Å²	47	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-44.7	171.2	-63.9	173.2	0	0	0	110.2	I545 L548 E569 R575 K576 Y577 D676	I545-I573 HydrophobicContact CD1-CD1 3.98Å; I545-I573 HydrophobicContact CG1-CD1 4.32Å; I545-I573 HydrophobicContact CG2-CD1 4.4Å; I545-I573 HydrophobicContact CG2-CG2 4.13Å; L548-I573 HydrophobicContact CD2-CG2 3.94Å; E569-I573 HydrophobicContact CG-CD1 4.06Å; E569-I573 VanDerWaalsContact O-CG1 3.26Å; E569-I573 WeakPolarHBondContact O-CG1 3.27Å; E569-I573 PolarHBondContact O-N 2.67Å; I573-R575 VanDerWaalsContact C-N 3.32Å; I573-R575 PolarHBondContact O-N 3Å; I573-K576 WeakPolarHBondContact O-CB 3.35Å; I573-K576 PolarHBondContact O-N 3.26Å; I573-Y577 HydrophobicContact CG2-CD2 3.77Å; I573-Y577 HydrophobicContact CG2-CE2 4.01Å; I573-Y577 WeakPolarHBondContact O-CD2 3.25Å; I573-Y577 PolarHBondContact O-N 3.41Å; I573-D676 HydrophobicContact CD1-CB 3.84Å; I573-D676 HydrophobicContact CG1-CB 3.81Å; I573-D676 HydrophobicContact CG2-CB 4.33Å
574	A	98.8	Very high	98.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-34.7	174.6	0	0	0	0	0	113.1	F314 L548 F559 P563 V570 V571 E572 T578	F314-A574 HydrophobicContact CE1-CB 3.84Å; F314-A574 HydrophobicContact CZ-CB 3.75Å; L548-A574 HydrophobicContact CD2-CB 3.86Å; F559-A574 HydrophobicContact CZ-CB 4.24Å; P563-A574 HydrophobicContact CB-CB 3.75Å; P563-A574 HydrophobicContact CG-CB 3.71Å; V570-A574 VanDerWaalsContact O-CB 3.31Å; V570-A574 WeakPolarHBondContact O-CB 3.41Å; V570-A574 PolarHBondContact O-N 2.96Å; V571-A574 PolarHBondContact O-N 3.26Å; E572-A574 PolarHBondContact O-N 2.76Å; A574-T578 WeakPolarHBondContact O-CB 3.09Å; A574-T578 WeakPolarHBondContact O-CG2 3.34Å; A574-T578 PolarHBondContact O-N 3.04Å; A574-T578 PolarHBondContact O-OG1 2.98Å
575	R	98.6	Very high	98.2	Very high	100 Å²	100	48.1 Å²	48.1	38%	0.377	25%	0.245	S	C	.	.	H	α-helix	trans	-68.1	-43.1	173.5	-72.2	170.4	60	107.4	5.3	111.7	H312 F314 V571 E572 I573 Y577 T578 A579	H312-R575 PolarHBondContact O-NH1 3.46Å; F314-R575 HydrophobicContact CD1-CG 4.33Å; F314-R575 HydrophobicContact CE1-CB 4.44Å; F314-R575 HydrophobicContact CE1-CG 3.64Å; F314-R575 HydrophobicContact CE2-CG 4.49Å; F314-R575 HydrophobicContact CZ-CG 3.72Å; V571-R575 WeakPolarHBondContact O-CG 3.18Å; V571-R575 PolarHBondContact O-N 3.28Å; E572-R575 PolarHBondContact O-N 3.42Å; E572-R575 IonicContact OE1-NE 2.76Å; E572-R575 IonicContact OE2-NE 3.92Å; I573-R575 VanDerWaalsContact C-N 3.32Å; I573-R575 PolarHBondContact O-N 3Å; R575-Y577 PolarHBondContact O-N 2.91Å; R575-T578 PolarHBondContact O-OG1 3.12Å; R575-A579 VanDerWaalsContact O-CB 3.31Å; R575-A579 WeakPolarHBondContact O-CB 3.31Å; R575-A579 PolarHBondContact O-N 3.33Å; R575-A579 VanDerWaalsContact O-N 3.07Å
576	K	98.4	Very high	98.3	Very high	74 Å²	74	45.1 Å²	45.1	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-54	-52	171.8	-179.8	-173.7	-174.4	-178.4	0	110.4	E572 I573 A579 I580 D676	E572-K576 WeakPolarHBondContact O-CB 3.42Å; E572-K576 PolarHBondContact O-N 2.8Å; I573-K576 WeakPolarHBondContact O-CB 3.35Å; I573-K576 PolarHBondContact O-N 3.26Å; K576-A579 PolarHBondContact O-N 3.36Å; K576-I580 HydrophobicContact CG-CD1 3.97Å; K576-I580 WeakPolarHBondContact O-CG1 3.45Å; K576-I580 PolarHBondContact O-N 3.33Å; K576-D676 WeakPolarHBondContact CE-O 3.44Å; K576-D676 PolarHBondContact NZ-O 3.48Å; K576-D676 IonicContact NZ-OD1 3.89Å; K576-D676 PolarHBondContact NZ-OD1 2.81Å; K576-D676 IonicContact NZ-OD2 3.19Å; K576-D676 PolarHBondContact NZ-OD2 2.89Å
577	Y	98.6	Very high	98.3	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-74.3	-36.2	-175.1	-83.9	-66.8	0	0	0	115.3	L548 E549 A552 F553 I573 R575 A579 I580 H581 D676 E677 I678	L548-Y577 HydrophobicContact CG-CD2 4.43Å; L548-Y577 HydrophobicContact CG-CG 4.46Å; E549-Y577 HydrophobicContact CB-CE1 4.46Å; E549-Y577 HydrophobicContact CG-CD2 4.12Å; E549-Y577 HydrophobicContact CG-CE1 4.21Å; E549-Y577 HydrophobicContact CG-CE2 3.51Å; A552-Y577 HydrophobicContact CB-CD1 3.63Å; A552-Y577 HydrophobicContact CB-CG 4.16Å; F553-Y577 HydrophobicContact CE2-CE1 4.28Å; I573-Y577 HydrophobicContact CG2-CD2 3.77Å; I573-Y577 HydrophobicContact CG2-CE2 4.01Å; I573-Y577 WeakPolarHBondContact O-CD2 3.25Å; I573-Y577 PolarHBondContact O-N 3.41Å; R575-Y577 PolarHBondContact O-N 2.91Å; Y577-A579 VanDerWaalsContact C-N 3.32Å; Y577-A579 PolarHBondContact O-N 3.43Å; Y577-I580 HydrophobicContact CD1-CD1 4.16Å; Y577-I580 HydrophobicContact CE1-CD1 3.98Å; Y577-I580 PolarHBondContact O-N 2.85Å; Y577-H581 WeakPolarHBondContact O-CB 3.44Å; Y577-H581 PolarHBondContact O-N 2.99Å; Y577-D676 WeakPolarHBondContact CE2-O 3.47Å; Y577-D676 VanDerWaalsContact CZ-O 3.3Å; Y577-D676 PolarHBondContact OH-O 2.89Å; Y577-E677 VanDerWaalsContact OH-C 3.28Å; Y577-E677 WeakPolarHBondContact OH-CA 2.9Å; Y577-I678 HydrophobicContact CE1-CG2 3.6Å; Y577-I678 PolarHBondContact OH-N 2.71Å
578	T	98.6	Very high	98.3	Very high	17 Å²	17	45.2 Å²	45.2	10%	0.104	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-35.2	171.9	48.8	0	0	0	0	112	P285 F314 M557 F559 A574 R575 E582	P285-T578 HydrophobicContact CG-CG2 4Å; F314-T578 HydrophobicContact CD1-CG2 4.38Å; M557-T578 HydrophobicContact CE-CG2 4.03Å; M557-T578 HydrophobicContact SD-CG2 4.13Å; F559-T578 HydrophobicContact CE2-CG2 3.87Å; F559-T578 HydrophobicContact CZ-CG2 4.22Å; A574-T578 WeakPolarHBondContact O-CB 3.09Å; A574-T578 WeakPolarHBondContact O-CG2 3.34Å; A574-T578 PolarHBondContact O-N 3.04Å; A574-T578 PolarHBondContact O-OG1 2.98Å; R575-T578 PolarHBondContact O-OG1 3.12Å; T578-E582 WeakPolarHBondContact O-CB 3.13Å; T578-E582 PolarHBondContact O-N 2.62Å
579	A	98.5	Very high	98.4	Very high	55 Å²	55	39.1 Å²	39.1	46%	0.455	20%	0.203	S	C	.	.	H	α-helix	trans	-69.8	-40.4	173.1	0	0	0	0	0	113	R575 K576 Y577 E582 S583	R575-A579 VanDerWaalsContact O-CB 3.31Å; R575-A579 WeakPolarHBondContact O-CB 3.31Å; R575-A579 PolarHBondContact O-N 3.33Å; R575-A579 VanDerWaalsContact O-N 3.07Å; K576-A579 PolarHBondContact O-N 3.36Å; Y577-A579 VanDerWaalsContact C-N 3.32Å; Y577-A579 PolarHBondContact O-N 3.43Å; A579-E582 PolarHBondContact O-N 3.32Å; A579-S583 VanDerWaalsContact O-CB 3.32Å; A579-S583 WeakPolarHBondContact O-CB 3.35Å; A579-S583 PolarHBondContact O-N 2.8Å; A579-S583 PolarHBondContact O-OG 3.4Å
580	I	98.1	Very high	98.4	Very high	29 Å²	29	35.4 Å²	35.4	15%	0.149	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-47.3	172.8	-74.5	167.5	0	0	0	110.5	F553 K576 Y577 E582 S583 I584	F553-I580 HydrophobicContact CE2-CG2 3.77Å; F553-I580 HydrophobicContact CZ-CG2 3.66Å; K576-I580 HydrophobicContact CG-CD1 3.97Å; K576-I580 WeakPolarHBondContact O-CG1 3.45Å; K576-I580 PolarHBondContact O-N 3.33Å; Y577-I580 HydrophobicContact CD1-CD1 4.16Å; Y577-I580 HydrophobicContact CE1-CD1 3.98Å; Y577-I580 PolarHBondContact O-N 2.85Å; I580-E582 PolarHBondContact O-N 3.23Å; I580-S583 PolarHBondContact O-N 2.81Å; I580-I584 HydrophobicContact CG2-CD1 4.37Å; I580-I584 WeakPolarHBondContact O-CB 3.41Å; I580-I584 PolarHBondContact O-N 3.03Å
581	H	98.8	Very high	98.3	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.211	C	C	.	.	I	π-helix	trans	-57.3	-51.6	176.5	179.1	79.3	0	0	0	111.2	F282 A552 M554 M557 Y577 S583 V585 A586	F282-H581 PolarHBondContact O-NE2 2.87Å; A552-H581 HydrophobicContact CB-CB 4.37Å; A552-H581 WeakPolarHBondContact O-CB 3.5Å; A552-H581 PolarHBondContact O-ND1 2.81Å; M554-H581 PolarHBondContact O-CE1 3.06Å; M554-H581 VanDerWaalsContact O-CE1 3.28Å; M557-H581 HydrophobicContact SD-CB 3.6Å; M557-H581 VanDerWaalsContact SD-CB 3.6Å; M557-H581 VanDerWaalsContact SD-CG 3.54Å; Y577-H581 WeakPolarHBondContact O-CB 3.44Å; Y577-H581 PolarHBondContact O-N 2.99Å; H581-S583 VanDerWaalsContact C-N 3.34Å; H581-S583 PolarHBondContact O-N 2.88Å; H581-V585 PolarHBondContact O-N 3.4Å; H581-A586 VanDerWaalsContact O-CB 3.25Å; H581-A586 WeakPolarHBondContact O-CB 3.17Å; H581-A586 PolarHBondContact O-N 2.71Å
582	E	98.6	Very high	98.3	Very high	71 Å²	71	40.6 Å²	40.6	33%	0.332	21%	0.21	S	C	.	.	I	π-helix	trans	-63.8	-35.3	-178.1	-173.2	171.7	155.8	0	0	113.5	H284 N315 T578 A579 I580	H284-E582 IonicContact CE1-OE1 2.83Å; H284-E582 PolarHBondContact CE1-OE1 3.47Å; H284-E582 IonicContact CE1-OE2 3.51Å; H284-E582 PolarHBondContact CE1-OE2 2.97Å; H284-E582 IonicContact ND1-OE1 2.77Å; H284-E582 IonicContact ND1-OE2 3.57Å; H284-E582 PolarHBondContact ND1-OE2 2.91Å; N315-E582 PolarHBondContact ND2-OE2 3.28Å; T578-E582 WeakPolarHBondContact O-CB 3.13Å; T578-E582 PolarHBondContact O-N 2.62Å; A579-E582 PolarHBondContact O-N 3.32Å; I580-E582 PolarHBondContact O-N 3.23Å
583	S	97.6	Very high	98.3	Very high	81 Å²	81	35.4 Å²	35.4	57%	0.566	19%	0.186	S	C	*	.	I	π-helix	trans	-95.5	-30	-172.5	60.9	0	0	0	0	115.4	A579 I580 H581	A579-S583 VanDerWaalsContact O-CB 3.32Å; A579-S583 WeakPolarHBondContact O-CB 3.35Å; A579-S583 PolarHBondContact O-N 2.8Å; A579-S583 PolarHBondContact O-OG 3.4Å; I580-S583 PolarHBondContact O-N 2.81Å; H581-S583 VanDerWaalsContact C-N 3.34Å; H581-S583 PolarHBondContact O-N 2.88Å
584	I	96.6	Very high	98.3	Very high	60 Å²	60	36.4 Å²	36.4	31%	0.308	20%	0.198	S	C	.	.	I	π-helix	trans	-110.1	-51.6	-175.9	-57.1	-176.5	0	0	0	111.2	I580 L630	I580-I584 HydrophobicContact CG2-CD1 4.37Å; I580-I584 WeakPolarHBondContact O-CB 3.41Å; I580-I584 PolarHBondContact O-N 3.03Å; I584-L630 HydrophobicContact CG2-CD2 4.36Å
585	V	98.5	Very high	98.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-82.2	-50.5	-169.1	177.7	0	0	0	0	111.3	F553 H581 R588 V589 I626	F553-V585 HydrophobicContact CD1-CG2 3.61Å; F553-V585 HydrophobicContact CE1-CG2 3.87Å; F553-V585 HydrophobicContact CG-CG2 4.04Å; F553-V585 HydrophobicContact CZ-CG2 4.46Å; H581-V585 PolarHBondContact O-N 3.4Å; V585-R588 PolarHBondContact O-N 2.58Å; V585-V589 HydrophobicContact CG1-CG2 3.77Å; V585-V589 WeakPolarHBondContact O-CB 3.49Å; V585-V589 WeakPolarHBondContact O-CG2 3.31Å; V585-V589 PolarHBondContact O-N 2.94Å; V585-I626 HydrophobicContact CG1-CD1 3.88Å; V585-I626 HydrophobicContact CG2-CD1 4.43Å
586	A	98.5	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-56.6	-40.5	-176.5	0	0	0	0	0	114.5	F282 R283 H581 L590	F282-A586 WeakPolarHBondContact O-CA 3.2Å; F282-A586 WeakPolarHBondContact O-CB 3.14Å; R283-A586 HydrophobicContact CB-CB 4.37Å; R283-A586 HydrophobicContact CG-CB 3.78Å; H581-A586 VanDerWaalsContact O-CB 3.25Å; H581-A586 WeakPolarHBondContact O-CB 3.17Å; H581-A586 PolarHBondContact O-N 2.71Å; A586-L590 VanDerWaalsContact O-CB 3.23Å; A586-L590 WeakPolarHBondContact O-CB 3.32Å; A586-L590 WeakPolarHBondContact O-CD1 2.97Å; A586-L590 WeakPolarHBondContact O-CG 3.15Å; A586-L590 PolarHBondContact O-N 2.97Å
587	P	98.1	Very high	98.1	Very high	62 Å²	62	34.1 Å²	34.1	40%	0.403	19%	0.194	S	C	.	.	H	α-helix	trans	-62.2	-46.2	175.8	-23.4	35.8	0	0	0	112.5	L590 E591	P587-L590 PolarHBondContact O-N 2.97Å; P587-E591 PolarHBondContact O-N 2.59Å; P587-E591 VanDerWaalsContact O-N 3.12Å
588	R	98	Very high	98	Very high	43 Å²	43	40.3 Å²	40.3	16%	0.162	23%	0.228	C	C	.	.	H	α-helix	trans	-70.9	-42.8	-177.9	-171.5	60.1	177.5	125.8	7.5	111.8	V585 L590 E591 L592 E595 D629	V585-R588 PolarHBondContact O-N 2.58Å; R588-L590 VanDerWaalsContact C-N 3.3Å; R588-L590 PolarHBondContact O-N 2.81Å; R588-E591 WeakPolarHBondContact CD-OE2 3.27Å; R588-E591 IonicContact CZ-OE2 2.71Å; R588-E591 IonicContact NE-OE2 2.81Å; R588-E591 VanDerWaalsContact NH1-CD 3.32Å; R588-E591 IonicContact NH1-OE2 3.84Å; R588-E591 PolarHBondContact NH1-OE2 3.36Å; R588-E591 WeakPolarHBondContact O-CB 3.49Å; R588-E591 PolarHBondContact O-N 3.36Å; R588-L592 HydrophobicContact CG-CD1 4.06Å; R588-L592 VanDerWaalsContact O-CG 3.28Å; R588-L592 WeakPolarHBondContact O-CG 3.47Å; R588-L592 PolarHBondContact O-N 3.03Å; R588-E595 IonicContact NH1-OE1 3.66Å; R588-D629 IonicContact CZ-OD1 3.52Å; R588-D629 VanDerWaalsContact CZ-OD1 3.29Å; R588-D629 IonicContact CZ-OD2 3.2Å; R588-D629 IonicContact NE-OD1 2.7Å; R588-D629 PolarHBondContact NE-OD1 3.25Å; R588-D629 IonicContact NE-OD2 2.95Å; R588-D629 PolarHBondContact NE-OD2 2.95Å; R588-D629 IonicContact NH2-OD1 3.51Å; R588-D629 PolarHBondContact NH2-OD1 3.26Å; R588-D629 IonicContact NH2-OD2 2.71Å
589	V	98.4	Very high	97.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-39.8	173.4	169.4	0	0	0	0	111.5	F282 P555 V585 A593 I603 I626	F282-V589 HydrophobicContact CD1-CG1 3.43Å; F282-V589 VanDerWaalsContact CD1-CG1 3.43Å; F282-V589 HydrophobicContact CE1-CG1 3.9Å; F282-V589 HydrophobicContact CG-CG1 4.46Å; P555-V589 HydrophobicContact CB-CG1 3.87Å; V585-V589 HydrophobicContact CG1-CG2 3.77Å; V585-V589 WeakPolarHBondContact O-CB 3.49Å; V585-V589 WeakPolarHBondContact O-CG2 3.31Å; V585-V589 PolarHBondContact O-N 2.94Å; V589-A593 VanDerWaalsContact O-CB 3.22Å; V589-A593 WeakPolarHBondContact O-CB 3.43Å; V589-A593 PolarHBondContact O-N 2.87Å; V589-I603 HydrophobicContact CB-CG2 4.43Å; V589-I603 HydrophobicContact CG1-CD1 4.46Å; V589-I603 HydrophobicContact CG1-CG2 4.14Å; V589-I603 HydrophobicContact CG2-CG2 4.11Å; V589-I626 HydrophobicContact CG2-CG2 3.71Å
590	L	98.3	Very high	97.8	Very high	25 Å²	25	38.8 Å²	38.8	13%	0.131	21%	0.214	C	C	.	.	H	α-helix	trans	-69.6	-31.9	178.1	-81.3	171.1	0	0	0	114	V276 K279 F282 R283 A586 P587 R588 G594	V276-L590 HydrophobicContact CG1-CD2 4.45Å; K279-L590 HydrophobicContact CB-CD1 4.25Å; K279-L590 HydrophobicContact CB-CD2 4.25Å; K279-L590 HydrophobicContact CG-CD1 4.41Å; K279-L590 HydrophobicContact CG-CD2 4.01Å; F282-L590 HydrophobicContact CB-CD1 4.34Å; F282-L590 HydrophobicContact CB-CD2 3.75Å; F282-L590 HydrophobicContact CB-CG 3.8Å; F282-L590 HydrophobicContact CD1-CD2 4.44Å; F282-L590 HydrophobicContact CD2-CD2 3.44Å; F282-L590 VanDerWaalsContact CD2-CD2 3.44Å; F282-L590 HydrophobicContact CD2-CG 4.41Å; F282-L590 HydrophobicContact CE2-CD2 4.08Å; F282-L590 HydrophobicContact CG-CD2 3.64Å; F282-L590 HydrophobicContact CG-CG 4.14Å; R283-L590 HydrophobicContact CG-CD1 4.02Å; A586-L590 VanDerWaalsContact O-CB 3.23Å; A586-L590 WeakPolarHBondContact O-CB 3.32Å; A586-L590 WeakPolarHBondContact O-CD1 2.97Å; A586-L590 WeakPolarHBondContact O-CG 3.15Å; A586-L590 PolarHBondContact O-N 2.97Å; P587-L590 PolarHBondContact O-N 2.97Å; R588-L590 VanDerWaalsContact C-N 3.3Å; R588-L590 PolarHBondContact O-N 2.81Å; L590-G594 PolarHBondContact O-N 2.55Å
591	E	98.2	Very high	97.7	Very high	112 Å²	112	38 Å²	38	52%	0.523	21%	0.209	S	C	.	.	H	α-helix	trans	-66.9	-53.8	172.3	-178.7	179.3	-144.7	0	0	110.3	P587 R588 A593 G594 E595	P587-E591 PolarHBondContact O-N 2.59Å; P587-E591 VanDerWaalsContact O-N 3.12Å; R588-E591 WeakPolarHBondContact CD-OE2 3.27Å; R588-E591 IonicContact CZ-OE2 2.71Å; R588-E591 IonicContact NE-OE2 2.81Å; R588-E591 VanDerWaalsContact NH1-CD 3.32Å; R588-E591 IonicContact NH1-OE2 3.84Å; R588-E591 PolarHBondContact NH1-OE2 3.36Å; R588-E591 WeakPolarHBondContact O-CB 3.49Å; R588-E591 PolarHBondContact O-N 3.36Å; E591-A593 VanDerWaalsContact C-N 3.26Å; E591-A593 PolarHBondContact O-N 3.02Å; E591-G594 WeakPolarHBondContact O-CA 3.33Å; E591-G594 PolarHBondContact O-N 3.36Å; E591-E595 PolarHBondContact O-N 2.97Å
592	L	98.6	Very high	97.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-37.4	176.5	-66	165.6	0	0	0	112.1	R588 G594 E595 V596 I603 I626 G627	R588-L592 HydrophobicContact CG-CD1 4.06Å; R588-L592 VanDerWaalsContact O-CG 3.28Å; R588-L592 WeakPolarHBondContact O-CG 3.47Å; R588-L592 PolarHBondContact O-N 3.03Å; L592-G594 PolarHBondContact O-N 3.21Å; L592-E595 WeakPolarHBondContact O-CB 3.22Å; L592-E595 PolarHBondContact O-N 3.32Å; L592-V596 WeakPolarHBondContact O-CG2 3.39Å; L592-V596 PolarHBondContact O-N 2.86Å; L592-I603 HydrophobicContact CB-CG1 4.05Å; L592-I603 HydrophobicContact CB-CG2 4.24Å; L592-I603 HydrophobicContact CD1-CG2 4.05Å; L592-I626 HydrophobicContact CD1-CG2 3.98Å; L592-G627 VanDerWaalsContact CD1-N 3.33Å
593	A	98.3	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.2	-27.8	174.6	0	0	0	0	0	113.1	V276 F282 F517 V589 E591 I603	V276-A593 HydrophobicContact CG1-CB 3.86Å; V276-A593 HydrophobicContact CG2-CB 4.25Å; V276-A593 WeakPolarHBondContact CG2-O 3.22Å; F282-A593 HydrophobicContact CE1-CB 4.23Å; F282-A593 HydrophobicContact CZ-CB 4.11Å; F517-A593 HydrophobicContact CD1-CB 4.5Å; F517-A593 HydrophobicContact CE1-CB 3.79Å; V589-A593 VanDerWaalsContact O-CB 3.22Å; V589-A593 WeakPolarHBondContact O-CB 3.43Å; V589-A593 PolarHBondContact O-N 2.87Å; E591-A593 VanDerWaalsContact C-N 3.26Å; E591-A593 PolarHBondContact O-N 3.02Å; A593-I603 HydrophobicContact CB-CD1 3.97Å
594	G	98.1	Very high	97.7	Very high	29 Å²	29	30.8 Å²	30.8	30%	0.299	17%	0.167	S	C	.	.	H	α-helix	trans	-70.9	-47.8	168.5	0	0	0	0	0	112.1	L590 E591 L592 V596 L597	L590-G594 PolarHBondContact O-N 2.55Å; E591-G594 WeakPolarHBondContact O-CA 3.33Å; E591-G594 PolarHBondContact O-N 3.36Å; L592-G594 PolarHBondContact O-N 3.21Å; G594-V596 PolarHBondContact O-N 3.21Å; G594-L597 WeakPolarHBondContact O-CB 3.49Å; G594-L597 WeakPolarHBondContact O-CG 3.39Å; G594-L597 PolarHBondContact O-N 3.45Å
595	E	97.5	Very high	97.8	Very high	72 Å²	72	28.1 Å²	28.1	34%	0.336	15%	0.153	S	C	.	.	H	α-helix	trans	-58.2	-34.3	178	-60.6	175.3	-154.1	0	0	113	R588 E591 L592 L597 D598 T599	R588-E595 IonicContact NH1-OE1 3.66Å; E591-E595 PolarHBondContact O-N 2.97Å; L592-E595 WeakPolarHBondContact O-CB 3.22Å; L592-E595 PolarHBondContact O-N 3.32Å; E595-L597 PolarHBondContact O-N 3.36Å; E595-D598 PolarHBondContact O-N 2.83Å; E595-T599 WeakPolarHBondContact O-CB 3.35Å; E595-T599 WeakPolarHBondContact O-CG2 3.25Å; E595-T599 PolarHBondContact O-N 2.88Å; E595-T599 PolarHBondContact O-OG1 3.05Å
596	V	97.5	Very high	97.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-55.2	-34.2	177.5	162.9	0	0	0	0	112.6	P273 Q516 F517 L592 G594 D598 G600 D601 I603	P273-V596 HydrophobicContact CG-CG1 3.88Å; Q516-V596 HydrophobicContact CB-CG1 3.92Å; Q516-V596 HydrophobicContact CB-CG2 3.84Å; Q516-V596 HydrophobicContact CG-CG1 3.81Å; Q516-V596 HydrophobicContact CG-CG2 3.92Å; F517-V596 HydrophobicContact CE1-CG1 4.47Å; F517-V596 HydrophobicContact CZ-CG1 4.41Å; L592-V596 WeakPolarHBondContact O-CG2 3.39Å; L592-V596 PolarHBondContact O-N 2.86Å; G594-V596 PolarHBondContact O-N 3.21Å; V596-D598 VanDerWaalsContact C-N 3.3Å; V596-D598 PolarHBondContact O-N 3.09Å; V596-G600 WeakPolarHBondContact O-CA 3.42Å; V596-G600 PolarHBondContact O-N 3.07Å; V596-D601 WeakPolarHBondContact CG2-O 3.29Å; V596-I603 HydrophobicContact CG2-CD1 4.23Å; V596-I603 HydrophobicContact CG2-CG1 3.78Å
597	L	96.8	Very high	97.8	Very high	52 Å²	52	28.1 Å²	28.1	27%	0.272	15%	0.153	S	C	.	.	H	α-helix	trans	-63.8	-37.2	-175.8	-53.8	-175.6	0	0	0	111.9	K272 P273 V276 G594 E595	K272-L597 VanDerWaalsContact CD-O 3.24Å; K272-L597 WeakPolarHBondContact CD-O 3.49Å; P273-L597 HydrophobicContact CB-CD2 3.97Å; P273-L597 WeakPolarHBondContact O-CD2 3.42Å; V276-L597 HydrophobicContact CG2-CD1 4.18Å; G594-L597 WeakPolarHBondContact O-CB 3.49Å; G594-L597 WeakPolarHBondContact O-CG 3.39Å; G594-L597 PolarHBondContact O-N 3.45Å; E595-L597 PolarHBondContact O-N 3.36Å
598	D	96	Very high	97.8	Very high	134 Å²	134	25.1 Å²	25.1	72%	0.717	13%	0.134	S	C	*	.	H	α-helix	trans	-91.7	-44.9	179.6	-66.4	-44.7	0	0	0	112	K272 E595 V596	K272-D598 WeakPolarHBondContact CD-O 3.46Å; K272-D598 WeakPolarHBondContact CE-O 3.43Å; K272-D598 PolarHBondContact NZ-O 3.35Å; E595-D598 PolarHBondContact O-N 2.83Å; V596-D598 VanDerWaalsContact C-N 3.3Å; V596-D598 PolarHBondContact O-N 3.09Å
599	T	96.3	Very high	97.8	Very high	37 Å²	37	23.4 Å²	23.4	23%	0.227	13%	0.127	C	C	.	.	H	α-helix	trans	-89.3	-40.7	-169.1	65.5	0	0	0	0	113.2	R267 K272 E595 D601	R267-T599 WeakPolarHBondContact CG-O 3.38Å; R267-T599 PolarHBondContact NE-O 3.37Å; K272-T599 VanDerWaalsContact CE-C 3.45Å; K272-T599 WeakPolarHBondContact CE-O 3.46Å; E595-T599 WeakPolarHBondContact O-CB 3.35Å; E595-T599 WeakPolarHBondContact O-CG2 3.25Å; E595-T599 PolarHBondContact O-N 2.88Å; E595-T599 PolarHBondContact O-OG1 3.05Å; T599-D601 WeakPolarHBondContact CB-OD1 3.46Å; T599-D601 PolarHBondContact O-N 2.82Å; T599-D601 PolarHBondContact OG1-N 2.67Å
600	G	96.6	Very high	97.7	Very high	4 Å²	4	25.9 Å²	25.9	4%	0.041	14%	0.14	C	C	.	.			trans	71.7	2	-163.9	0	0	0	0	0	114.6	Q516 V596	Q516-G600 PolarHBondContact NE2-O 3.26Å; V596-G600 WeakPolarHBondContact O-CA 3.42Å; V596-G600 PolarHBondContact O-N 3.07Å
601	D	97.4	Very high	97.6	Very high	11 Å²	11	25.3 Å²	25.3	6%	0.059	14%	0.139	C	C	.	.			trans	-63.8	141.2	-178.5	-68.4	18.1	0	0	0	109.6	K263 R267 V596 T599 W609	K263-D601 WeakPolarHBondContact CD-OD2 3.44Å; K263-D601 WeakPolarHBondContact CE-OD2 3.5Å; K263-D601 IonicContact NZ-OD2 3.93Å; K263-D601 PolarHBondContact NZ-OD2 3.12Å; R267-D601 IonicContact CZ-OD1 3.36Å; R267-D601 IonicContact NE-OD1 3.93Å; R267-D601 VanDerWaalsContact NH2-CG 3.31Å; R267-D601 IonicContact NH2-OD1 2.71Å; R267-D601 PolarHBondContact NH2-OD1 3.48Å; R267-D601 IonicContact NH2-OD2 3.1Å; R267-D601 PolarHBondContact NH2-OD2 3.28Å; R267-D601 VanDerWaalsContact NH2-OD2 3.1Å; V596-D601 WeakPolarHBondContact CG2-O 3.29Å; T599-D601 WeakPolarHBondContact CB-OD1 3.46Å; T599-D601 PolarHBondContact O-N 2.82Å; T599-D601 PolarHBondContact OG1-N 2.67Å; D601-W609 HydrophobicContact CB-CH2 4.23Å; D601-W609 HydrophobicContact CB-CZ2 4.04Å
602	P	97.8	Very high	97.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.129	C	C	.	.			trans	-65.8	155.6	-172.2	-23.4	35.3	0	0	0	115	Q516 R605 W609	Q516-P602 VanDerWaalsContact OE1-CA 3.25Å; P602-R605 HydrophobicContact CB-CG 4.41Å; P602-R605 PolarHBondContact O-NE 2.89Å; P602-R605 PolarHBondContact O-NH2 3.03Å; P602-R605 VanDerWaalsContact O-NH2 3.16Å; P602-W609 HydrophobicContact CG-CH2 4.3Å; P602-W609 HydrophobicContact CG-CZ3 4.22Å
603	I	98.6	Very high	97.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-81.4	-55.7	170.9	-61.8	-177.7	0	0	0	109.5	Q516 F517 P555 V589 L592 A593 V596 I626 G627	Q516-I603 HydrophobicContact CB-CD1 4.44Å; Q516-I603 HydrophobicContact CB-CG1 4.27Å; F517-I603 HydrophobicContact CD1-CD1 4.26Å; F517-I603 HydrophobicContact CE1-CD1 4.39Å; P555-I603 HydrophobicContact CG-CG2 4.47Å; V589-I603 HydrophobicContact CB-CG2 4.43Å; V589-I603 HydrophobicContact CG1-CD1 4.46Å; V589-I603 HydrophobicContact CG1-CG2 4.14Å; V589-I603 HydrophobicContact CG2-CG2 4.11Å; L592-I603 HydrophobicContact CB-CG1 4.05Å; L592-I603 HydrophobicContact CB-CG2 4.24Å; L592-I603 HydrophobicContact CD1-CG2 4.05Å; A593-I603 HydrophobicContact CB-CD1 3.97Å; V596-I603 HydrophobicContact CG2-CD1 4.23Å; V596-I603 HydrophobicContact CG2-CG1 3.78Å; I603-I626 HydrophobicContact CG2-CG2 4.43Å; I603-G627 PolarHBondContact O-N 2.84Å
604	I	98.7	Very high	97	Very high	2 Å²	2	27 Å²	27	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.2	173.5	-54.3	-58	0	0	0	108.2	V507 L508 S511 P555 F624 L625 I626	V507-I604 HydrophobicContact CG1-CB 3.89Å; V507-I604 HydrophobicContact CG1-CG1 4.03Å; V507-I604 HydrophobicContact CG1-CG2 3.73Å; L508-I604 HydrophobicContact CD2-CG2 4.19Å; S511-I604 WeakPolarHBondContact CB-O 3.31Å; S511-I604 PolarHBondContact OG-O 2.95Å; P555-I604 HydrophobicContact CG-CD1 4.04Å; P555-I604 HydrophobicContact CG-CG1 3.72Å; I604-F624 HydrophobicContact CD1-CD2 4.32Å; I604-F624 HydrophobicContact CD1-CE2 4.24Å; I604-F624 HydrophobicContact CG2-CB 4.05Å; I604-F624 HydrophobicContact CG2-CD2 3.67Å; I604-F624 HydrophobicContact CG2-CE2 4.42Å; I604-F624 HydrophobicContact CG2-CG 4.07Å; I604-L625 CarbonylContact C-O 3.55Å; I604-L625 WeakPolarHBondContact CA-O 3.2Å; I604-I626 HydrophobicContact CD1-CB 4.49Å; I604-I626 HydrophobicContact CD1-CD1 4.45Å; I604-I626 HydrophobicContact CD1-CG1 3.9Å; I604-I626 HydrophobicContact CD1-CG2 4.36Å
605	R	98.6	Very high	96.9	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.6	-169.5	-38.4	-166.1	174.9	156.1	-3.8	111.9	L508 P602 W609 L625 G627 D628	L508-R605 VanDerWaalsContact CD2-C 3.48Å; P602-R605 HydrophobicContact CB-CG 4.41Å; P602-R605 PolarHBondContact O-NE 2.89Å; P602-R605 PolarHBondContact O-NH2 3.03Å; P602-R605 VanDerWaalsContact O-NH2 3.16Å; R605-W609 HydrophobicContact CB-CB 3.99Å; R605-W609 HydrophobicContact CB-CD2 4.34Å; R605-W609 HydrophobicContact CB-CG 3.98Å; R605-W609 VanDerWaalsContact CD-CD1 3.41Å; R605-W609 VanDerWaalsContact CD-CE2 3.5Å; R605-W609 VanDerWaalsContact CD-NE1 3.29Å; R605-W609 HydrophobicContact CG-CG 4.44Å; R605-L625 HydrophobicContact CB-CB 4.14Å; R605-L625 PolarHBondContact N-O 3.4Å; R605-L625 PolarHBondContact O-N 2.96Å; R605-G627 WeakPolarHBondContact CD-O 3.33Å; R605-D628 IonicContact CZ-OD1 2.7Å; R605-D628 IonicContact NH1-OD1 3.15Å; R605-D628 PolarHBondContact NH1-OD1 2.94Å; R605-D628 IonicContact NH1-OD2 2.73Å; R605-D628 PolarHBondContact NH1-OD2 2.91Å
606	P	98.5	Very high	96.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.174	C	C	.	.			trans	-74.2	156.6	171.5	32.3	-35.5	0	0	0	110.5	W165 L508 W608 W609	W165-P606 HydrophobicContact CH2-CB 4.44Å; W165-P606 HydrophobicContact CH2-CG 4.39Å; W165-P606 HydrophobicContact CZ2-CB 3.43Å; W165-P606 VanDerWaalsContact CZ2-CB 3.43Å; W165-P606 HydrophobicContact CZ2-CG 3.69Å; L508-P606 HydrophobicContact CD1-CB 4.28Å; L508-P606 HydrophobicContact CD2-CB 4.07Å; P606-W608 VanDerWaalsContact C-N 3.28Å; P606-W608 HydrophobicContact CB-CD2 4.21Å; P606-W608 HydrophobicContact CB-CG 4.28Å; P606-W608 HydrophobicContact CB-CZ2 4.3Å; P606-W608 HydrophobicContact CG-CD2 3.66Å; P606-W608 HydrophobicContact CG-CE3 4.08Å; P606-W608 HydrophobicContact CG-CG 4.23Å; P606-W608 HydrophobicContact CG-CH2 3.79Å; P606-W608 HydrophobicContact CG-CZ2 3.37Å; P606-W608 HydrophobicContact CG-CZ3 4.13Å; P606-W608 PolarHBondContact O-N 3.02Å; P606-W609 WeakPolarHBondContact O-CB 3.04Å; P606-W609 PolarHBondContact O-N 2.97Å
607	L	98.3	Very high	96.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-66.1	-28.5	-173.9	-86.7	72.5	0	0	0	114.2	W609 I610 A611 A617 I620 Q623 L625 M631 Y646	L607-W609 PolarHBondContact O-N 2.77Å; L607-I610 PolarHBondContact O-N 3.28Å; L607-A611 PolarHBondContact O-N 3.47Å; L607-A611 VanDerWaalsContact O-N 3.15Å; L607-A617 HydrophobicContact CB-CB 4.25Å; L607-I620 HydrophobicContact CD1-CG2 4.31Å; L607-I620 HydrophobicContact CD2-CG2 4.29Å; L607-Q623 HydrophobicContact CD1-CB 3.78Å; L607-Q623 WeakPolarHBondContact CD1-O 3.45Å; L607-Q623 HydrophobicContact CD2-CB 4.29Å; L607-L625 HydrophobicContact CD1-CG 4.46Å; L607-L625 HydrophobicContact CG-CG 4.45Å; L607-M631 HydrophobicContact CD2-CG 4.41Å; L607-M631 HydrophobicContact CD2-SD 3.72Å; L607-M631 HydrophobicContact CG-SD 4.41Å; L607-Y646 HydrophobicContact CD2-CD1 3.62Å; L607-Y646 HydrophobicContact CD2-CE1 4.03Å
608	W	97.7	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-61	-12.5	171.9	59.9	-111.5	0	0	0	113.6	Y155 W165 L199 V258 P606 I610 A611 T612 A617 Y618	Y155-W608 HydrophobicContact CD2-CZ2 4.26Å; Y155-W608 AromaticContact CE1-NE1 3.57Å; Y155-W608 HydrophobicContact CE2-CZ2 4.31Å; Y155-W608 AromaticContact CE2-NE1 3.7Å; Y155-W608 AromaticContact CZ-CD1 3.89Å; Y155-W608 AromaticContact CZ-NE1 3.29Å; Y155-W608 VanDerWaalsContact CZ-NE1 3.29Å; Y155-W608 PolarHBondContact OH-NE1 3.5Å; W165-W608 AromaticContact CE2-NE1 3.85Å; W165-W608 HydrophobicContact CH2-CZ2 4.24Å; W165-W608 AromaticContact CZ2-CE2 3.86Å; W165-W608 AromaticContact CZ2-CZ2 3.83Å; W165-W608 HydrophobicContact CZ2-CZ2 3.83Å; W165-W608 AromaticContact CZ2-NE1 3.37Å; W165-W608 AromaticContact NE1-NE1 3.79Å; L199-W608 HydrophobicContact CD2-CH2 3.46Å; L199-W608 VanDerWaalsContact CD2-CH2 3.46Å; L199-W608 HydrophobicContact CD2-CZ2 3.83Å; L199-W608 HydrophobicContact CD2-CZ3 4.4Å; V258-W608 HydrophobicContact CB-CE3 4.18Å; V258-W608 HydrophobicContact CB-CZ3 4.36Å; V258-W608 HydrophobicContact CG1-CB 4.43Å; V258-W608 HydrophobicContact CG1-CD2 3.93Å; V258-W608 HydrophobicContact CG1-CE3 3.4Å; V258-W608 HydrophobicContact CG1-CG 4.41Å; V258-W608 HydrophobicContact CG1-CZ3 3.99Å; V258-W608 HydrophobicContact CG2-CD2 4.08Å; V258-W608 HydrophobicContact CG2-CE3 3.77Å; V258-W608 HydrophobicContact CG2-CH2 3.9Å; V258-W608 HydrophobicContact CG2-CZ2 4.12Å; V258-W608 HydrophobicContact CG2-CZ3 3.7Å; P606-W608 VanDerWaalsContact C-N 3.28Å; P606-W608 HydrophobicContact CB-CD2 4.21Å; P606-W608 HydrophobicContact CB-CG 4.28Å; P606-W608 HydrophobicContact CB-CZ2 4.3Å; P606-W608 HydrophobicContact CG-CD2 3.66Å; P606-W608 HydrophobicContact CG-CE3 4.08Å; P606-W608 HydrophobicContact CG-CG 4.23Å; P606-W608 HydrophobicContact CG-CH2 3.79Å; P606-W608 HydrophobicContact CG-CZ2 3.37Å; P606-W608 HydrophobicContact CG-CZ3 4.13Å; P606-W608 PolarHBondContact O-N 3.02Å; W608-I610 VanDerWaalsContact C-N 3.3Å; W608-I610 PolarHBondContact O-N 3.14Å; W608-A611 CarbonylContact O-C 3.56Å; W608-A611 VanDerWaalsContact O-C 3.3Å; W608-T612 VanDerWaalsContact O-CA 3.24Å; W608-T612 WeakPolarHBondContact O-CA 3.04Å; W608-T612 WeakPolarHBondContact O-CG2 3.27Å; W608-T612 PolarHBondContact O-N 2.97Å; W608-A617 HydrophobicContact CB-CB 4.24Å; W608-Y618 HydrophobicContact CB-CD1 3.55Å; W608-Y618 HydrophobicContact CB-CE1 3.89Å; W608-Y618 AromaticContact CG-CD1 3.98Å; W608-Y618 HydrophobicContact CG-CD1 3.98Å
609	W	98	Very high	97	Very high	7 Å²	7	25.4 Å²	25.4	3%	0.027	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-57.8	-43.6	177.9	-174.2	-93	0	0	0	112.6	T259 H262 K263 D601 P602 R605 P606 L607 T612 D628	T259-W609 HydrophobicContact CG2-CD2 3.84Å; T259-W609 HydrophobicContact CG2-CE3 4Å; T259-W609 HydrophobicContact CG2-CG 4.43Å; T259-W609 HydrophobicContact CG2-CH2 4.25Å; T259-W609 HydrophobicContact CG2-CZ2 4.13Å; T259-W609 HydrophobicContact CG2-CZ3 4.19Å; T259-W609 VanDerWaalsContact OG1-CA 3.31Å; T259-W609 WeakPolarHBondContact OG1-CA 3.2Å; T259-W609 PolarHBondContact OG1-O 3.17Å; H262-W609 AromaticContact CD2-CH2 3.99Å; H262-W609 AromaticContact CD2-CZ3 3.57Å; K263-W609 HydrophobicContact CD-CH2 4.47Å; K263-W609 HydrophobicContact CD-CZ2 4.39Å; K263-W609 HydrophobicContact CG-CH2 3.97Å; K263-W609 HydrophobicContact CG-CZ2 4.37Å; D601-W609 HydrophobicContact CB-CH2 4.23Å; D601-W609 HydrophobicContact CB-CZ2 4.04Å; P602-W609 HydrophobicContact CG-CH2 4.3Å; P602-W609 HydrophobicContact CG-CZ3 4.22Å; R605-W609 HydrophobicContact CB-CB 3.99Å; R605-W609 HydrophobicContact CB-CD2 4.34Å; R605-W609 HydrophobicContact CB-CG 3.98Å; R605-W609 VanDerWaalsContact CD-CD1 3.41Å; R605-W609 VanDerWaalsContact CD-CE2 3.5Å; R605-W609 VanDerWaalsContact CD-NE1 3.29Å; R605-W609 HydrophobicContact CG-CG 4.44Å; P606-W609 WeakPolarHBondContact O-CB 3.04Å; P606-W609 PolarHBondContact O-N 2.97Å; L607-W609 PolarHBondContact O-N 2.77Å; W609-T612 VanDerWaalsContact O-CG2 3.27Å; W609-T612 WeakPolarHBondContact O-CG2 3.15Å; W609-D628 PolarHBondContact NE1-OD1 3.27Å
610	I	96.8	Very high	97.1	Very high	51 Å²	51	24.8 Å²	24.8	26%	0.262	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-28.5	174.9	64.9	-178.9	0	0	0	112.1	L607 W608 T612 L625 D628 P648 W652 W683	L607-I610 PolarHBondContact O-N 3.28Å; W608-I610 VanDerWaalsContact C-N 3.3Å; W608-I610 PolarHBondContact O-N 3.14Å; I610-T612 PolarHBondContact O-N 2.71Å; I610-L625 HydrophobicContact CD1-CD1 3.73Å; I610-L625 HydrophobicContact CD1-CD2 4.01Å; I610-L625 HydrophobicContact CG1-CD1 3.83Å; I610-L625 HydrophobicContact CG2-CD1 4.21Å; I610-D628 HydrophobicContact CG2-CB 4Å; I610-P648 HydrophobicContact CD1-CG 3.9Å; I610-P648 HydrophobicContact CG1-CG 4.27Å; I610-W652 HydrophobicContact CD1-CH2 3.98Å; I610-W652 HydrophobicContact CD1-CZ2 3.76Å; I610-W683 HydrophobicContact CD1-CZ3 4.39Å
611	A	96.3	Very high	97.1	Very high	14 Å²	14	26 Å²	26	12%	0.116	15%	0.15	C	C	.	.			trans	-99.4	62.8	176	0	0	0	0	0	111.3	L607 W608 G613 D614 A617 P648	L607-A611 PolarHBondContact O-N 3.47Å; L607-A611 VanDerWaalsContact O-N 3.15Å; W608-A611 CarbonylContact O-C 3.56Å; W608-A611 VanDerWaalsContact O-C 3.3Å; A611-G613 PolarHBondContact O-N 2.85Å; A611-G613 VanDerWaalsContact O-N 3.11Å; A611-D614 HydrophobicContact CB-CB 3.9Å; A611-D614 PolarHBondContact O-N 3.32Å; A611-D614 VanDerWaalsContact O-N 3.15Å; A611-A617 HydrophobicContact CB-CB 3.79Å; A611-P648 HydrophobicContact CB-CB 3.89Å
612	T	94.9	Very high	97.1	Very high	51 Å²	51	26.8 Å²	26.8	31%	0.313	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-6.7	-165.3	63.5	0	0	0	0	116.4	T259 W608 W609 I610 Y618	T259-T612 WeakPolarHBondContact OG1-CG2 3.47Å; W608-T612 VanDerWaalsContact O-CA 3.24Å; W608-T612 WeakPolarHBondContact O-CA 3.04Å; W608-T612 WeakPolarHBondContact O-CG2 3.27Å; W608-T612 PolarHBondContact O-N 2.97Å; W609-T612 VanDerWaalsContact O-CG2 3.27Å; W609-T612 WeakPolarHBondContact O-CG2 3.15Å; I610-T612 PolarHBondContact O-N 2.71Å; T612-Y618 PolarHBondContact O-OH 3.48Å
613	G	91.6	Very high	97.2	Very high	66 Å²	66	26.9 Å²	26.9	68%	0.68	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.6	5.2	175.9	0	0	0	0	0	114	A611 Y618	A611-G613 PolarHBondContact O-N 2.85Å; A611-G613 VanDerWaalsContact O-N 3.11Å; G613-Y618 WeakPolarHBondContact CA-OH 3.44Å
614	D	95	Very high	97.2	Very high	33 Å²	33	26.9 Å²	26.9	18%	0.176	16%	0.156	C	C	.	.			trans	-96.2	119.7	-168.8	-171	-74.6	0	0	0	113	A611 T616 A617 Y618 Y646 P665	A611-D614 HydrophobicContact CB-CB 3.9Å; A611-D614 PolarHBondContact O-N 3.32Å; A611-D614 VanDerWaalsContact O-N 3.15Å; D614-T616 VanDerWaalsContact C-N 3.33Å; D614-T616 PolarHBondContact O-N 2.82Å; D614-T616 VanDerWaalsContact OD1-CA 3.28Å; D614-T616 WeakPolarHBondContact OD1-CA 3.28Å; D614-T616 VanDerWaalsContact OD1-CB 3.22Å; D614-T616 WeakPolarHBondContact OD1-CB 3.08Å; D614-T616 PolarHBondContact OD1-N 2.86Å; D614-A617 HydrophobicContact CB-CB 3.83Å; D614-A617 PolarHBondContact O-N 3.43Å; D614-A617 PolarHBondContact OD1-N 2.9Å; D614-Y618 VanDerWaalsContact O-CD2 3.32Å; D614-Y618 WeakPolarHBondContact O-CD2 3.26Å; D614-Y618 WeakPolarHBondContact O-CE2 3.37Å; D614-Y618 PolarHBondContact O-N 3.15Å; D614-Y646 PolarHBondContact OD1-OH 3Å; D614-Y646 PolarHBondContact OD2-OH 2.88Å; D614-P665 WeakPolarHBondContact OD2-CG 3.34Å
615	E	95.1	Very high	97.2	Very high	95 Å²	95	26.8 Å²	26.8	44%	0.444	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-29.1	-178.2	174.4	55.2	-152.1	0	0	113.2	H153 Y618 K619	H153-E615 IonicContact CD2-OE1 2.98Å; H153-E615 IonicContact CD2-OE2 2.7Å; H153-E615 IonicContact CE1-OE1 2.94Å; H153-E615 IonicContact NE2-OE1 2.68Å; H153-E615 PolarHBondContact NE2-OE1 3.24Å; H153-E615 IonicContact NE2-OE2 3.96Å; H153-E615 PolarHBondContact NE2-OE2 3.15Å; E615-Y618 WeakPolarHBondContact OE2-CD2 3.43Å; E615-K619 WeakPolarHBondContact O-CE 3.44Å; E615-K619 PolarHBondContact O-NZ 3.27Å; E615-K619 WeakPolarHBondContact OE1-CE 3.39Å; E615-K619 IonicContact OE1-NZ 3.57Å; E615-K619 PolarHBondContact OE1-NZ 3.25Å
616	T	96.8	Very high	97.2	Very high	46 Å²	46	26.6 Å²	26.6	28%	0.282	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-48.2	173.1	-66.5	0	0	0	0	110.1	D614 Y618 K619 I620 Y646	D614-T616 VanDerWaalsContact C-N 3.33Å; D614-T616 PolarHBondContact O-N 2.82Å; D614-T616 VanDerWaalsContact OD1-CA 3.28Å; D614-T616 WeakPolarHBondContact OD1-CA 3.28Å; D614-T616 VanDerWaalsContact OD1-CB 3.22Å; D614-T616 WeakPolarHBondContact OD1-CB 3.08Å; D614-T616 PolarHBondContact OD1-N 2.86Å; T616-Y618 PolarHBondContact O-N 2.65Å; T616-Y618 VanDerWaalsContact O-N 3.14Å; T616-K619 PolarHBondContact O-N 2.95Å; T616-I620 HydrophobicContact CG2-CD1 4.05Å; T616-I620 HydrophobicContact CG2-CG1 4.27Å; T616-I620 PolarHBondContact O-N 3.43Å; T616-Y646 HydrophobicContact CG2-CD2 3.59Å; T616-Y646 HydrophobicContact CG2-CE2 3.78Å; T616-Y646 HydrophobicContact CG2-CG 4Å
617	A	97.6	Very high	97.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.2	-178.1	0	0	0	0	0	113.4	L607 W608 A611 D614 K619 Y646	L607-A617 HydrophobicContact CB-CB 4.25Å; W608-A617 HydrophobicContact CB-CB 4.24Å; A611-A617 HydrophobicContact CB-CB 3.79Å; D614-A617 HydrophobicContact CB-CB 3.83Å; D614-A617 PolarHBondContact O-N 3.43Å; D614-A617 PolarHBondContact OD1-N 2.9Å; A617-K619 PolarHBondContact O-N 3.39Å; A617-Y646 HydrophobicContact CB-CE1 4Å
618	Y	98.1	Very high	97.1	Very high	22 Å²	22	29.6 Å²	29.6	9%	0.086	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.3	171.6	-62.5	-34.4	0	0	0	114.5	H153 Y155 S201 V258 W608 T612 G613 D614 E615 T616	H153-Y618 VanDerWaalsContact CD2-CB 3.47Å; H153-Y618 WeakPolarHBondContact CD2-CB 3.49Å; H153-Y618 AromaticContact CD2-CD2 3.9Å; Y155-Y618 WeakPolarHBondContact OH-CA 3.27Å; Y155-Y618 WeakPolarHBondContact OH-CB 3.24Å; Y155-Y618 PolarHBondContact OH-O 2.93Å; S201-Y618 VanDerWaalsContact CB-CG 3.5Å; V258-Y618 HydrophobicContact CG1-CE1 4.03Å; W608-Y618 HydrophobicContact CB-CD1 3.55Å; W608-Y618 HydrophobicContact CB-CE1 3.89Å; W608-Y618 AromaticContact CG-CD1 3.98Å; W608-Y618 HydrophobicContact CG-CD1 3.98Å; T612-Y618 PolarHBondContact O-OH 3.48Å; G613-Y618 WeakPolarHBondContact CA-OH 3.44Å; D614-Y618 VanDerWaalsContact O-CD2 3.32Å; D614-Y618 WeakPolarHBondContact O-CD2 3.26Å; D614-Y618 WeakPolarHBondContact O-CE2 3.37Å; D614-Y618 PolarHBondContact O-N 3.15Å; E615-Y618 WeakPolarHBondContact OE2-CD2 3.43Å; T616-Y618 PolarHBondContact O-N 2.65Å; T616-Y618 VanDerWaalsContact O-N 3.14Å
619	K	97.6	Very high	97	Very high	91 Å²	91	31.8 Å²	31.8	40%	0.396	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-3.9	-172.6	-70.8	169	-63.3	-153.1	0	114.6	E615 T616 A617 D621	E615-K619 WeakPolarHBondContact O-CE 3.44Å; E615-K619 PolarHBondContact O-NZ 3.27Å; E615-K619 WeakPolarHBondContact OE1-CE 3.39Å; E615-K619 IonicContact OE1-NZ 3.57Å; E615-K619 PolarHBondContact OE1-NZ 3.25Å; T616-K619 PolarHBondContact O-N 2.95Å; A617-K619 PolarHBondContact O-N 3.39Å; K619-D621 PolarHBondContact O-N 3.43Å
620	I	98.3	Very high	97	Very high	24 Å²	24	31.8 Å²	31.8	12%	0.123	18%	0.183	C	C	.	.			trans	-72.9	111.2	178.8	-61.5	-64.3	0	0	0	109.5	L607 T616 Q623 Y646	L607-I620 HydrophobicContact CD1-CG2 4.31Å; L607-I620 HydrophobicContact CD2-CG2 4.29Å; T616-I620 HydrophobicContact CG2-CD1 4.05Å; T616-I620 HydrophobicContact CG2-CG1 4.27Å; T616-I620 PolarHBondContact O-N 3.43Å; I620-Q623 HydrophobicContact CG2-CB 3.56Å; I620-Q623 HydrophobicContact CG2-CG 3.66Å; I620-Y646 HydrophobicContact CD1-CG 4.34Å; I620-Y646 HydrophobicContact CG1-CD1 4.06Å; I620-Y646 HydrophobicContact CG1-CG 4.38Å
621	D	97.3	Very high	97.1	Very high	29 Å²	29	29.3 Å²	29.3	16%	0.155	17%	0.171	C	C	.	.			trans	-106.6	-15.6	175.2	64.6	-11.2	0	0	0	113.7	W165 Y496 I504 P505 K619	W165-D621 HydrophobicContact CB-CB 3.81Å; W165-D621 WeakPolarHBondContact O-CB 3.35Å; Y496-D621 WeakPolarHBondContact CE1-OD2 3.26Å; Y496-D621 PolarHBondContact OH-OD2 3.45Å; I504-D621 VanDerWaalsContact CB-O 3.28Å; I504-D621 WeakPolarHBondContact CB-O 3.38Å; I504-D621 WeakPolarHBondContact CG2-O 3.42Å; P505-D621 HydrophobicContact CG-CB 4.1Å; K619-D621 PolarHBondContact O-N 3.43Å
622	S	98.3	Very high	97.2	Very high	27 Å²	27	28.7 Å²	28.7	19%	0.189	17%	0.165	C	C	.	.	S	Bend	trans	-95.3	6.1	-178	63.8	0	0	0	0	114.1	R643	S622-R643 PolarHBondContact O-NH1 3.35Å; S622-R643 PolarHBondContact OG-NH2 2.74Å
623	Q	98.8	Very high	97.4	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.009	15%	0.151	C	C	.	.			trans	-142.1	156.3	177.2	-45.9	-177.7	162.6	0	0	110	L607 I620 V632 A633 I645 Y646	L607-Q623 HydrophobicContact CD1-CB 3.78Å; L607-Q623 WeakPolarHBondContact CD1-O 3.45Å; L607-Q623 HydrophobicContact CD2-CB 4.29Å; I620-Q623 HydrophobicContact CG2-CB 3.56Å; I620-Q623 HydrophobicContact CG2-CG 3.66Å; Q623-V632 WeakPolarHBondContact CA-O 3.48Å; Q623-V632 WeakPolarHBondContact CB-O 3.43Å; Q623-A633 HydrophobicContact CG-CB 3.9Å; Q623-I645 VanDerWaalsContact OE1-CA 3.24Å; Q623-Y646 PolarHBondContact NE2-O 3.39Å
624	F	98.9	Very high	97.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	170	175.7	61.7	-83.2	0	0	0	111.3	I504 L508 L550 F553 M554 I604 I626 M631 V632	I504-F624 HydrophobicContact CD1-CD1 3.78Å; I504-F624 HydrophobicContact CD1-CE1 4.1Å; I504-F624 HydrophobicContact CG1-CD1 3.83Å; I504-F624 HydrophobicContact CG1-CE1 4.15Å; I504-F624 HydrophobicContact CG2-CB 4.26Å; I504-F624 HydrophobicContact CG2-CD1 4.25Å; L508-F624 HydrophobicContact CD2-CB 4.33Å; L550-F624 HydrophobicContact CD1-CE1 3.46Å; L550-F624 VanDerWaalsContact CD1-CE1 3.46Å; L550-F624 HydrophobicContact CD1-CZ 3.96Å; F553-F624 HydrophobicContact CB-CE2 4.3Å; F553-F624 HydrophobicContact CB-CZ 3.82Å; F553-F624 WeakPolarHBondContact O-CE2 3.28Å; M554-F624 HydrophobicContact CE-CD1 4.36Å; M554-F624 HydrophobicContact CE-CE1 3.84Å; M554-F624 HydrophobicContact CE-CE2 4.38Å; M554-F624 HydrophobicContact CE-CZ 3.82Å; M554-F624 HydrophobicContact SD-CZ 4.49Å; I604-F624 HydrophobicContact CD1-CD2 4.32Å; I604-F624 HydrophobicContact CD1-CE2 4.24Å; I604-F624 HydrophobicContact CG2-CB 4.05Å; I604-F624 HydrophobicContact CG2-CD2 3.67Å; I604-F624 HydrophobicContact CG2-CE2 4.42Å; I604-F624 HydrophobicContact CG2-CG 4.07Å; F624-I626 HydrophobicContact CD2-CG1 4.2Å; F624-I626 HydrophobicContact CE2-CD1 4.2Å; F624-I626 HydrophobicContact CE2-CG1 3.87Å; F624-M631 CarbonylContact O-C 3.53Å; F624-M631 WeakPolarHBondContact O-CA 3.49Å; F624-V632 HydrophobicContact CD1-CB 4.27Å; F624-V632 HydrophobicContact CD2-CB 4.38Å; F624-V632 HydrophobicContact CD2-CG2 4.44Å; F624-V632 HydrophobicContact CE1-CB 3.77Å; F624-V632 HydrophobicContact CE1-CG1 3.91Å; F624-V632 HydrophobicContact CE2-CB 3.92Å; F624-V632 HydrophobicContact CE2-CG2 3.85Å; F624-V632 HydrophobicContact CZ-CB 3.6Å; F624-V632 HydrophobicContact CZ-CG1 3.78Å; F624-V632 HydrophobicContact CZ-CG2 3.93Å; F624-V632 PolarHBondContact N-O 2.87Å; F624-V632 VanDerWaalsContact N-O 3.08Å; F624-V632 PolarHBondContact O-N 2.85Å
625	L	98.8	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148.2	172.1	-65.9	160	0	0	0	109.8	I604 R605 L607 I610 L630 M631 W652	I604-L625 CarbonylContact C-O 3.55Å; I604-L625 WeakPolarHBondContact CA-O 3.2Å; R605-L625 HydrophobicContact CB-CB 4.14Å; R605-L625 PolarHBondContact N-O 3.4Å; R605-L625 PolarHBondContact O-N 2.96Å; L607-L625 HydrophobicContact CD1-CG 4.46Å; L607-L625 HydrophobicContact CG-CG 4.45Å; I610-L625 HydrophobicContact CD1-CD1 3.73Å; I610-L625 HydrophobicContact CD1-CD2 4.01Å; I610-L625 HydrophobicContact CG1-CD1 3.83Å; I610-L625 HydrophobicContact CG2-CD1 4.21Å; L625-L630 CarbonylContact C-O 3.59Å; L625-L630 VanDerWaalsContact CA-O 3.31Å; L625-L630 WeakPolarHBondContact CA-O 3.45Å; L625-M631 HydrophobicContact CD2-CB 3.69Å; L625-M631 HydrophobicContact CD2-CG 3.87Å; L625-W652 HydrophobicContact CD2-CH2 3.93Å
626	I	98.8	Very high	98.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	110.5	163.6	-46.7	-175.9	0	0	0	105.8	F553 V585 V589 L592 I603 I604 F624 L630 V632	F553-I626 HydrophobicContact CB-CD1 4.3Å; F553-I626 HydrophobicContact CD1-CD1 4.27Å; F553-I626 WeakPolarHBondContact O-CD1 3.35Å; V585-I626 HydrophobicContact CG1-CD1 3.88Å; V585-I626 HydrophobicContact CG2-CD1 4.43Å; V589-I626 HydrophobicContact CG2-CG2 3.71Å; L592-I626 HydrophobicContact CD1-CG2 3.98Å; I603-I626 HydrophobicContact CG2-CG2 4.43Å; I604-I626 HydrophobicContact CD1-CB 4.49Å; I604-I626 HydrophobicContact CD1-CD1 4.45Å; I604-I626 HydrophobicContact CD1-CG1 3.9Å; I604-I626 HydrophobicContact CD1-CG2 4.36Å; F624-I626 HydrophobicContact CD2-CG1 4.2Å; F624-I626 HydrophobicContact CE2-CD1 4.2Å; F624-I626 HydrophobicContact CE2-CG1 3.87Å; I626-L630 HydrophobicContact CB-CB 4.25Å; I626-L630 HydrophobicContact CB-CD2 4.31Å; I626-L630 HydrophobicContact CB-CG 4.37Å; I626-L630 HydrophobicContact CD1-CD2 3.92Å; I626-L630 HydrophobicContact CD1-CG 4.36Å; I626-L630 HydrophobicContact CG1-CD2 4.41Å; I626-L630 HydrophobicContact CG1-CG 4.44Å; I626-L630 PolarHBondContact N-O 3.04Å; I626-L630 PolarHBondContact O-N 3.37Å; I626-V632 HydrophobicContact CD1-CG2 4.36Å; I626-V632 HydrophobicContact CG1-CG2 4.42Å
627	G	98	Very high	98.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	-143.1	-165.8	0	0	0	0	0	111.6	L592 I603 R605	L592-G627 VanDerWaalsContact CD1-N 3.33Å; I603-G627 PolarHBondContact O-N 2.84Å; R605-G627 WeakPolarHBondContact CD-O 3.33Å
628	D	96.4	Very high	98.1	Very high	64 Å²	64	23.3 Å²	23.3	34%	0.342	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-6.4	176.7	-64.1	-47.8	0	0	0	112.2	R605 W609 I610	R605-D628 IonicContact CZ-OD1 2.7Å; R605-D628 IonicContact NH1-OD1 3.15Å; R605-D628 PolarHBondContact NH1-OD1 2.94Å; R605-D628 IonicContact NH1-OD2 2.73Å; R605-D628 PolarHBondContact NH1-OD2 2.91Å; W609-D628 PolarHBondContact NE1-OD1 3.27Å; I610-D628 HydrophobicContact CG2-CB 4Å
629	D	96.3	Very high	98.1	Very high	45 Å²	45	25.2 Å²	25.2	24%	0.241	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-8	-152.7	54	-55.8	0	0	0	114.9	R588 V682 W683	R588-D629 IonicContact CZ-OD1 3.52Å; R588-D629 VanDerWaalsContact CZ-OD1 3.29Å; R588-D629 IonicContact CZ-OD2 3.2Å; R588-D629 IonicContact NE-OD1 2.7Å; R588-D629 PolarHBondContact NE-OD1 3.25Å; R588-D629 IonicContact NE-OD2 2.95Å; R588-D629 PolarHBondContact NE-OD2 2.95Å; R588-D629 IonicContact NH2-OD1 3.51Å; R588-D629 PolarHBondContact NH2-OD1 3.26Å; R588-D629 IonicContact NH2-OD2 2.71Å; D629-V682 CarbonylContact O-C 3.55Å; D629-V682 WeakPolarHBondContact O-CA 3.36Å; D629-W683 HydrophobicContact CB-CB 4.02Å; D629-W683 PolarHBondContact O-N 2.75Å
630	L	98.4	Very high	98.1	Very high	7 Å²	7	24.6 Å²	24.6	4%	0.037	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	104.1	175.1	173.8	56.6	0	0	0	110.5	I584 L625 I626 V632 Y680 F681 V682	I584-L630 HydrophobicContact CG2-CD2 4.36Å; L625-L630 CarbonylContact C-O 3.59Å; L625-L630 VanDerWaalsContact CA-O 3.31Å; L625-L630 WeakPolarHBondContact CA-O 3.45Å; I626-L630 HydrophobicContact CB-CB 4.25Å; I626-L630 HydrophobicContact CB-CD2 4.31Å; I626-L630 HydrophobicContact CB-CG 4.37Å; I626-L630 HydrophobicContact CD1-CD2 3.92Å; I626-L630 HydrophobicContact CD1-CG 4.36Å; I626-L630 HydrophobicContact CG1-CD2 4.41Å; I626-L630 HydrophobicContact CG1-CG 4.44Å; I626-L630 PolarHBondContact N-O 3.04Å; I626-L630 PolarHBondContact O-N 3.37Å; L630-V632 HydrophobicContact CG-CG2 4.45Å; L630-Y680 HydrophobicContact CD1-CD2 3.73Å; L630-Y680 HydrophobicContact CD1-CG 4.31Å; L630-F681 WeakPolarHBondContact CA-O 3.36Å; L630-V682 HydrophobicContact CD1-CG2 4.31Å
631	M	98.6	Very high	98.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	141.8	176.5	-162.3	-166.9	77.9	0	0	111.2	L607 F624 L625 I645 L647 W652 Y680 F681	L607-M631 HydrophobicContact CD2-CG 4.41Å; L607-M631 HydrophobicContact CD2-SD 3.72Å; L607-M631 HydrophobicContact CG-SD 4.41Å; F624-M631 CarbonylContact O-C 3.53Å; F624-M631 WeakPolarHBondContact O-CA 3.49Å; L625-M631 HydrophobicContact CD2-CB 3.69Å; L625-M631 HydrophobicContact CD2-CG 3.87Å; M631-I645 HydrophobicContact CE-CG2 3.84Å; M631-L647 HydrophobicContact CE-CD2 3.43Å; M631-L647 VanDerWaalsContact CE-CD2 3.43Å; M631-L647 HydrophobicContact CE-CG 4.38Å; M631-L647 HydrophobicContact SD-CD2 4.03Å; M631-W652 HydrophobicContact CB-CH2 4.04Å; M631-W652 HydrophobicContact CB-CZ3 3.84Å; M631-Y680 CarbonylContact O-C 3.58Å; M631-Y680 WeakPolarHBondContact O-CA 3.34Å; M631-Y680 WeakPolarHBondContact O-CB 3.35Å; M631-F681 HydrophobicContact CB-CB 4.43Å; M631-F681 HydrophobicContact CE-CD2 3.6Å; M631-F681 HydrophobicContact CE-CE2 4.05Å; M631-F681 HydrophobicContact CE-CG 4.3Å; M631-F681 PolarHBondContact N-O 2.66Å; M631-F681 PolarHBondContact O-N 2.86Å
632	V	98.8	Very high	98.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.4	-176.8	-169.2	0	0	0	0	110.5	F553 Q623 F624 I626 L630 I678	F553-V632 HydrophobicContact CB-CG1 3.93Å; F553-V632 HydrophobicContact CB-CG2 4.06Å; F553-V632 HydrophobicContact CD1-CB 4.48Å; F553-V632 HydrophobicContact CD1-CG1 4.08Å; F553-V632 HydrophobicContact CD1-CG2 3.5Å; F553-V632 VanDerWaalsContact CD1-CG2 3.5Å; F553-V632 HydrophobicContact CD2-CG1 4.47Å; F553-V632 HydrophobicContact CE1-CG2 4.28Å; F553-V632 HydrophobicContact CG-CG1 3.89Å; F553-V632 HydrophobicContact CG-CG2 4.03Å; Q623-V632 WeakPolarHBondContact CA-O 3.48Å; Q623-V632 WeakPolarHBondContact CB-O 3.43Å; F624-V632 HydrophobicContact CD1-CB 4.27Å; F624-V632 HydrophobicContact CD2-CB 4.38Å; F624-V632 HydrophobicContact CD2-CG2 4.44Å; F624-V632 HydrophobicContact CE1-CB 3.77Å; F624-V632 HydrophobicContact CE1-CG1 3.91Å; F624-V632 HydrophobicContact CE2-CB 3.92Å; F624-V632 HydrophobicContact CE2-CG2 3.85Å; F624-V632 HydrophobicContact CZ-CB 3.6Å; F624-V632 HydrophobicContact CZ-CG1 3.78Å; F624-V632 HydrophobicContact CZ-CG2 3.93Å; F624-V632 PolarHBondContact N-O 2.87Å; F624-V632 VanDerWaalsContact N-O 3.08Å; F624-V632 PolarHBondContact O-N 2.85Å; I626-V632 HydrophobicContact CD1-CG2 4.36Å; I626-V632 HydrophobicContact CG1-CG2 4.42Å; L630-V632 HydrophobicContact CG-CG2 4.45Å; V632-I678 HydrophobicContact CG1-CD1 3.63Å; V632-I678 HydrophobicContact CG1-CG1 4.09Å
633	A	98.7	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	82.7	-176.5	0	0	0	0	0	110.4	Q623 R643 I645 A679	Q623-A633 HydrophobicContact CG-CB 3.9Å; A633-R643 WeakPolarHBondContact O-CD 3.49Å; A633-I645 HydrophobicContact CB-CD1 4.12Å; A633-I645 HydrophobicContact CB-CG1 4.14Å; A633-I645 HydrophobicContact CB-CG2 4.25Å; A633-A679 HydrophobicContact CB-CB 4.27Å; A633-A679 PolarHBondContact N-O 3.23Å
634	P	98.4	Very high	98.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.			trans	-68.9	157.2	178.5	31.7	-40.5	0	0	0	113.4	I504 L550 L636 R643 I678	I504-P634 HydrophobicContact CD1-CG 3.75Å; L550-P634 HydrophobicContact CB-CB 4.35Å; L550-P634 HydrophobicContact CD1-CB 4.31Å; L550-P634 HydrophobicContact CD1-CG 3.93Å; L550-P634 HydrophobicContact CD2-CG 4.44Å; P634-L636 HydrophobicContact CB-CD2 4.08Å; P634-L636 HydrophobicContact CB-CG 4.47Å; P634-L636 HydrophobicContact CG-CD1 4.29Å; P634-L636 HydrophobicContact CG-CD2 3.74Å; P634-L636 HydrophobicContact CG-CG 3.99Å; P634-R643 VanDerWaalsContact O-CD 3.32Å; P634-R643 WeakPolarHBondContact O-CD 3.24Å; P634-R643 PolarHBondContact O-NH1 3.01Å; P634-I678 HydrophobicContact CB-CD1 3.85Å; P634-I678 HydrophobicContact CB-CG1 4.36Å
635	V	98.6	Very high	98	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.018	19%	0.193	C	C	.	.			trans	-78.7	126.7	164.2	178	0	0	0	0	108.9	K640 R643 V673	V635-K640 HydrophobicContact CG1-CB 3.74Å; V635-R643 HydrophobicContact CG2-CG 4.46Å; V635-V673 HydrophobicContact CG2-CB 3.87Å; V635-V673 HydrophobicContact CG2-CG1 3.85Å
636	L	98.1	Very high	98	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.068	19%	0.194	C	C	.	.			trans	-121.3	13	-174.6	-57.5	174.9	0	0	0	113	L500 K501 I504 L550 P634	L500-L636 HydrophobicContact CD1-CD2 4.36Å; L500-L636 HydrophobicContact CD2-CD2 4.36Å; L500-L636 HydrophobicContact CG-CD2 3.95Å; K501-L636 WeakPolarHBondContact CE-O 3.49Å; K501-L636 HydrophobicContact CG-CB 4Å; I504-L636 HydrophobicContact CD1-CD1 4.27Å; L550-L636 HydrophobicContact CD2-CD2 4.16Å; P634-L636 HydrophobicContact CB-CD2 4.08Å; P634-L636 HydrophobicContact CB-CG 4.47Å; P634-L636 HydrophobicContact CG-CD1 4.29Å; P634-L636 HydrophobicContact CG-CD2 3.74Å; P634-L636 HydrophobicContact CG-CG 3.99Å
637	E	97.6	Very high	97.9	Very high	91 Å²	91	35.7 Å²	35.7	43%	0.425	19%	0.194	S	C	.	.	S	Bend	trans	-124.4	139.5	-178.3	-62.2	-63.9	165	0	0	110	K501 K640	K501-E637 VanDerWaalsContact CE-CD 3.46Å; K501-E637 WeakPolarHBondContact CE-OE1 3.35Å; K501-E637 WeakPolarHBondContact CE-OE2 3.39Å; K501-E637 IonicContact NZ-OE1 3.2Å; K501-E637 PolarHBondContact NZ-OE1 3.38Å; K501-E637 IonicContact NZ-OE2 3.36Å; K501-E637 PolarHBondContact NZ-OE2 3.19Å; E637-K640 HydrophobicContact CB-CB 4.25Å; E637-K640 HydrophobicContact CB-CG 3.92Å
638	P	97.9	Very high	97.8	Very high	72 Å²	72	35.9 Å²	35.9	47%	0.468	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	143.7	178.5	27.6	-34.2	0	0	0	112.4	W494 K640	W494-P638 HydrophobicContact CD2-CB 4.3Å; W494-P638 HydrophobicContact CZ2-CB 3.92Å; P638-K640 PolarHBondContact O-N 3.28Å
639	G	98.1	Very high	97.7	Very high	61 Å²	61	35 Å²	35	63%	0.629	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	10.3	180	0	0	0	0	0	114.8	E542	E542-G639 WeakPolarHBondContact OE1-CA 3.25Å; E542-G639 PolarHBondContact OE1-N 3.11Å; E542-G639 PolarHBondContact OE2-N 3.01Å
640	K	97.8	Very high	97.6	Very high	79 Å²	79	33.2 Å²	33.2	34%	0.343	19%	0.189	S	C	.	.			trans	-99.2	135.7	-175.2	-80.6	-71.7	-173.7	167.8	0	112.6	R546 V635 E637 P638 E642	R546-K640 PolarHBondContact NH2-O 2.9Å; V635-K640 HydrophobicContact CG1-CB 3.74Å; E637-K640 HydrophobicContact CB-CB 4.25Å; E637-K640 HydrophobicContact CB-CG 3.92Å; P638-K640 PolarHBondContact O-N 3.28Å; K640-E642 HydrophobicContact CD-CG 4.14Å; K640-E642 IonicContact NZ-OE1 3.85Å; K640-E642 PolarHBondContact NZ-OE1 3.13Å
641	Q	97.4	Very high	97.5	Very high	104 Å²	104	37.3 Å²	37.3	49%	0.486	21%	0.208	S	C	.	.	S	Bend	trans	-126.5	21.9	174.2	-66.6	-170.2	83.4	0	0	111.6	V673 L675	Q641-V673 CarbonylContact C-O 3.53Å; Q641-V673 WeakPolarHBondContact CA-O 3.27Å; Q641-V673 CarbonylContact O-C 3.44Å; Q641-V673 VanDerWaalsContact O-C 3.31Å; Q641-V673 PolarHBondContact O-N 3.23Å; Q641-L675 VanDerWaalsContact OE1-N 3.13Å
642	E	97.8	Very high	97.5	Very high	75 Å²	75	37.4 Å²	37.4	35%	0.35	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	154.3	178.8	72.5	-154.3	163	0	0	107.8	K640 Y671	K640-E642 HydrophobicContact CD-CG 4.14Å; K640-E642 IonicContact NZ-OE1 3.85Å; K640-E642 PolarHBondContact NZ-OE1 3.13Å; E642-Y671 CarbonylContact C-O 3.59Å; E642-Y671 VanDerWaalsContact CA-O 3.26Å; E642-Y671 WeakPolarHBondContact CA-O 3.27Å
643	R	97.8	Very high	97.5	Very high	34 Å²	34	41.8 Å²	41.8	13%	0.128	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	158.7	169.1	60.8	159.6	-67.2	164.1	1.3	112.7	S622 A633 P634 V635 I645 Y671 V673	S622-R643 PolarHBondContact O-NH1 3.35Å; S622-R643 PolarHBondContact OG-NH2 2.74Å; A633-R643 WeakPolarHBondContact O-CD 3.49Å; P634-R643 VanDerWaalsContact O-CD 3.32Å; P634-R643 WeakPolarHBondContact O-CD 3.24Å; P634-R643 PolarHBondContact O-NH1 3.01Å; V635-R643 HydrophobicContact CG2-CG 4.46Å; R643-I645 HydrophobicContact CG-CD1 4.32Å; R643-I645 HydrophobicContact CG-CG1 3.99Å; R643-Y671 PolarHBondContact N-O 3.46Å; R643-Y671 WeakPolarHBondContact O-CB 3.48Å; R643-Y671 PolarHBondContact O-N 2.98Å; R643-V673 HydrophobicContact CG-CG2 4.26Å
644	D	98	Very high	97.4	Very high	96 Å²	96	42 Å²	42	51%	0.513	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	135.8	166.6	-67	-15.9	0	0	0	110.4	L668 T669 D670	D644-L668 CarbonylContact C-O 3.54Å; D644-L668 WeakPolarHBondContact CA-O 3.45Å; D644-T669 VanDerWaalsContact OD1-CA 3.27Å; D644-T669 WeakPolarHBondContact OD1-CA 3.49Å; D644-D670 PolarHBondContact OD1-N 3.17Å; D644-D670 VanDerWaalsContact OD1-N 3.07Å
645	I	98.4	Very high	97.3	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.1	180	-57.1	-177.4	0	0	0	109.7	Q623 M631 A633 R643 L647 L668 Y671 A679 F681	Q623-I645 VanDerWaalsContact OE1-CA 3.24Å; M631-I645 HydrophobicContact CE-CG2 3.84Å; A633-I645 HydrophobicContact CB-CD1 4.12Å; A633-I645 HydrophobicContact CB-CG1 4.14Å; A633-I645 HydrophobicContact CB-CG2 4.25Å; R643-I645 HydrophobicContact CG-CD1 4.32Å; R643-I645 HydrophobicContact CG-CG1 3.99Å; I645-L647 HydrophobicContact CG2-CG 4.37Å; I645-L668 HydrophobicContact CB-CB 4.3Å; I645-L668 PolarHBondContact N-O 3.39Å; I645-L668 PolarHBondContact O-N 3.03Å; I645-Y671 HydrophobicContact CD1-CD1 3.45Å; I645-Y671 VanDerWaalsContact CD1-CD1 3.45Å; I645-Y671 HydrophobicContact CD1-CE1 4.08Å; I645-Y671 HydrophobicContact CD1-CG 3.77Å; I645-A679 HydrophobicContact CD1-CB 3.48Å; I645-A679 VanDerWaalsContact CD1-CB 3.48Å; I645-F681 HydrophobicContact CD1-CE2 3.93Å; I645-F681 HydrophobicContact CD1-CZ 4.03Å; I645-F681 HydrophobicContact CG2-CE2 3.82Å; I645-F681 HydrophobicContact CG2-CZ 4.1Å
646	Y	98.1	Very high	97.2	Very high	5 Å²	5	48.3 Å²	48.3	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.5	171.8	167.9	-95.8	0	0	0	109.9	L607 D614 T616 A617 I620 Q623 P648 P665 H667	L607-Y646 HydrophobicContact CD2-CD1 3.62Å; L607-Y646 HydrophobicContact CD2-CE1 4.03Å; D614-Y646 PolarHBondContact OD1-OH 3Å; D614-Y646 PolarHBondContact OD2-OH 2.88Å; T616-Y646 HydrophobicContact CG2-CD2 3.59Å; T616-Y646 HydrophobicContact CG2-CE2 3.78Å; T616-Y646 HydrophobicContact CG2-CG 4Å; A617-Y646 HydrophobicContact CB-CE1 4Å; I620-Y646 HydrophobicContact CD1-CG 4.34Å; I620-Y646 HydrophobicContact CG1-CD1 4.06Å; I620-Y646 HydrophobicContact CG1-CG 4.38Å; Q623-Y646 PolarHBondContact NE2-O 3.39Å; Y646-P648 HydrophobicContact CE1-CB 4.15Å; Y646-P665 HydrophobicContact CE2-CB 3.53Å; Y646-H667 AromaticContact CD2-CE1 3.71Å; Y646-H667 AromaticContact CD2-NE2 3.61Å
647	L	97.7	Very high	97.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.6	174.7	-70.9	169	0	0	0	109.6	M631 I645 W652 F660 I662 P665 L666 L668 F681	M631-L647 HydrophobicContact CE-CD2 3.43Å; M631-L647 VanDerWaalsContact CE-CD2 3.43Å; M631-L647 HydrophobicContact CE-CG 4.38Å; M631-L647 HydrophobicContact SD-CD2 4.03Å; I645-L647 HydrophobicContact CG2-CG 4.37Å; L647-W652 HydrophobicContact CD2-CD2 4.43Å; L647-W652 HydrophobicContact CD2-CG 4.24Å; L647-F660 HydrophobicContact CD1-CD1 4.36Å; L647-F660 HydrophobicContact CD1-CD2 4.4Å; L647-F660 HydrophobicContact CD1-CG 4.19Å; L647-I662 HydrophobicContact CB-CD1 3.41Å; L647-I662 VanDerWaalsContact CB-CD1 3.41Å; L647-I662 HydrophobicContact CD1-CD1 3.82Å; L647-I662 HydrophobicContact CG-CD1 4.22Å; L647-P665 WeakPolarHBondContact O-CA 3.39Å; L647-L666 HydrophobicContact CB-CB 4.44Å; L647-L666 PolarHBondContact N-O 2.85Å; L647-L666 PolarHBondContact O-N 3.49Å; L647-L668 HydrophobicContact CD1-CD1 3.68Å; L647-L668 HydrophobicContact CD1-CG 4.21Å; L647-F681 HydrophobicContact CD1-CD1 4.21Å; L647-F681 HydrophobicContact CD1-CE1 3.97Å; L647-F681 HydrophobicContact CD1-CZ 4.5Å; L647-F681 HydrophobicContact CD2-CB 4.24Å; L647-F681 HydrophobicContact CD2-CD1 3.84Å; L647-F681 HydrophobicContact CD2-CD2 4.07Å; L647-F681 HydrophobicContact CD2-CE1 4.18Å; L647-F681 HydrophobicContact CD2-CE2 4.42Å; L647-F681 HydrophobicContact CD2-CG 3.79Å; L647-F681 HydrophobicContact CD2-CZ 4.47Å
648	P	95.9	Very high	97.2	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.019	27%	0.27	C	S	.	.			trans	-70.1	161.7	174.1	31.5	-34.7	0	0	0	111.1	I610 A611 Y646 G650 W652	I610-P648 HydrophobicContact CD1-CG 3.9Å; I610-P648 HydrophobicContact CG1-CG 4.27Å; A611-P648 HydrophobicContact CB-CB 3.89Å; Y646-P648 HydrophobicContact CE1-CB 4.15Å; P648-G650 PolarHBondContact O-N 3.25Å; P648-W652 HydrophobicContact CG-CZ2 3.85Å; P648-W652 PolarHBondContact O-NE1 3.13Å
649	A	94.3	Very high	97.1	Very high	46 Å²	46	54.3 Å²	54.3	38%	0.38	28%	0.278	S	S	.	.	S	Bend	trans	-53.2	135	175.4	0	0	0	0	0	111.9	I662 K663	A649-I662 CarbonylContact C-O 3.6Å; A649-I662 WeakPolarHBondContact CA-O 3.44Å; A649-K663 WeakPolarHBondContact CB-O 3.23Å
650	G	94	Very high	97.1	Very high	8 Å²	8	52.9 Å²	52.9	8%	0.082	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.5	-176.7	-168.4	0	0	0	0	0	113.7	P648 I662	P648-G650 PolarHBondContact O-N 3.25Å; G650-I662 PolarHBondContact N-O 3.03Å; G650-I662 WeakPolarHBondContact O-CB 3.44Å; G650-I662 PolarHBondContact O-N 3.22Å
651	H	96.5	Very high	97	Very high	93 Å²	93	54.7 Å²	54.7	43%	0.431	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	107.2	176.4	-64.6	-77.1	0	0	0	108.7	D661 W683 V684	H651-D661 IonicContact CE1-OD1 3.41Å; H651-D661 IonicContact CG-OD1 3.02Å; H651-D661 IonicContact ND1-OD1 3.69Å; H651-D661 PolarHBondContact ND1-OD1 3.32Å; H651-W683 WeakPolarHBondContact O-CA 3.13Å; H651-V684 HydrophobicContact CB-CG2 4.25Å; H651-V684 WeakPolarHBondContact CB-O 3.33Å; H651-V684 PolarHBondContact O-N 3.25Å
652	W	97.7	Very high	96.9	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.1	-173.9	-63.7	96.5	0	0	0	111.7	I610 L625 M631 L647 P648 R659 F660 F681 V682 W683	I610-W652 HydrophobicContact CD1-CH2 3.98Å; I610-W652 HydrophobicContact CD1-CZ2 3.76Å; L625-W652 HydrophobicContact CD2-CH2 3.93Å; M631-W652 HydrophobicContact CB-CH2 4.04Å; M631-W652 HydrophobicContact CB-CZ3 3.84Å; L647-W652 HydrophobicContact CD2-CD2 4.43Å; L647-W652 HydrophobicContact CD2-CG 4.24Å; P648-W652 HydrophobicContact CG-CZ2 3.85Å; P648-W652 PolarHBondContact O-NE1 3.13Å; W652-R659 WeakPolarHBondContact O-CA 3.42Å; W652-F660 HydrophobicContact CB-CB 4.4Å; W652-F660 PolarHBondContact N-O 2.94Å; W652-F660 PolarHBondContact O-N 2.83Å; W652-F681 HydrophobicContact CB-CB 4.48Å; W652-F681 HydrophobicContact CD2-CB 4.47Å; W652-F681 HydrophobicContact CE3-CB 3.82Å; W652-V682 CarbonylContact C-O 3.3Å; W652-V682 WeakPolarHBondContact CA-O 2.96Å; W652-W683 HydrophobicContact CD2-CE3 4.31Å; W652-W683 AromaticContact CE2-CE3 3.75Å; W652-W683 AromaticContact CE2-CZ3 3.91Å; W652-W683 AromaticContact CH2-CE3 3.74Å; W652-W683 HydrophobicContact CH2-CE3 3.74Å; W652-W683 HydrophobicContact CH2-CZ3 4.31Å; W652-W683 AromaticContact CZ2-CE3 3.46Å; W652-W683 HydrophobicContact CZ2-CE3 3.46Å; W652-W683 VanDerWaalsContact CZ2-CE3 3.46Å; W652-W683 AromaticContact CZ2-CZ3 3.63Å; W652-W683 HydrophobicContact CZ2-CZ3 3.63Å; W652-W683 HydrophobicContact CZ3-CB 4.4Å; W652-W683 HydrophobicContact CZ3-CE3 4.27Å
653	R	98.2	Very high	96.6	Very high	92 Å²	92	56 Å²	56	35%	0.347	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.2	167.9	-170	-178.7	-56.9	164	13.2	110.4	E658 R659 F681 V682 V684	R653-E658 CarbonylContact C-O 3.56Å; R653-E658 WeakPolarHBondContact CA-O 3.48Å; R653-E658 WeakPolarHBondContact CG-O 3.49Å; R653-R659 HydrophobicContact CG-CG 4.5Å; R653-F681 CarbonylContact O-C 3.54Å; R653-F681 VanDerWaalsContact O-CA 3.26Å; R653-F681 WeakPolarHBondContact O-CA 3.37Å; R653-V682 PolarHBondContact N-O 3.45Å; R653-V682 PolarHBondContact O-N 3.04Å; R653-V684 HydrophobicContact CB-CG1 3.68Å; R653-V684 HydrophobicContact CB-CG2 4.19Å
654	S	98.1	Very high	96.3	Very high	4 Å²	4	61.7 Å²	61.7	3%	0.028	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	159.9	174.1	70.6	0	0	0	0	111.1	K656 G657 E658	S654-K656 PolarHBondContact O-N 3.11Å; S654-K656 VanDerWaalsContact O-N 3.17Å; S654-K656 PolarHBondContact OG-N 3.23Å; S654-G657 WeakPolarHBondContact O-CA 3.25Å; S654-G657 PolarHBondContact O-N 3.42Å; S654-G657 PolarHBondContact OG-N 2.81Å; S654-E658 WeakPolarHBondContact CB-OE2 3.22Å; S654-E658 PolarHBondContact N-O 3.07Å; S654-E658 WeakPolarHBondContact OG-CB 3.42Å; S654-E658 PolarHBondContact OG-N 3.33Å; S654-E658 PolarHBondContact OG-OE2 2.78Å
655	Y	96.2	Very high	96.1	Very high	49 Å²	49	59.3 Å²	59.3	19%	0.192	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-23.9	167.2	73.6	-74.7	0	0	0	114	G657 Y671 P672 E677 A679 Y680	Y655-G657 VanDerWaalsContact C-N 3.27Å; Y655-Y671 AromaticContact CE1-CE1 3.96Å; Y655-Y671 HydrophobicContact CE1-CE1 3.96Å; Y655-P672 PolarHBondContact OH-O 3.32Å; Y655-E677 HydrophobicContact CE2-CB 4.24Å; Y655-E677 HydrophobicContact CE2-CG 4.34Å; Y655-E677 PolarHBondContact OH-OE2 2.76Å; Y655-A679 VanDerWaalsContact CE1-CA 3.48Å; Y655-A679 HydrophobicContact CE1-CB 3.96Å; Y655-Y680 HydrophobicContact CG-CD1 4.24Å; Y655-Y680 HydrophobicContact CG-CE1 4.1Å; Y655-Y680 PolarHBondContact N-O 3.28Å
656	K	96.4	Very high	96	Very high	87 Å²	87	62.2 Å²	62.2	38%	0.378	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.9	173.2	-71.4	176.3	170.6	165.3	0	113.1	S654 P672 E677	S654-K656 PolarHBondContact O-N 3.11Å; S654-K656 VanDerWaalsContact O-N 3.17Å; S654-K656 PolarHBondContact OG-N 3.23Å; K656-P672 PolarHBondContact NZ-O 2.87Å; K656-E677 WeakPolarHBondContact CE-OE1 3.24Å; K656-E677 WeakPolarHBondContact CE-OE2 3.38Å; K656-E677 IonicContact NZ-OE1 3.67Å; K656-E677 IonicContact NZ-OE2 2.73Å; K656-E677 PolarHBondContact NZ-OE2 2.75Å
657	G	96.9	Very high	95.9	Very high	45 Å²	45	67 Å²	67	46%	0.464	33%	0.327	S	S	.	.			trans	89.2	-1	175.2	0	0	0	0	0	115.1	S654 Y655	S654-G657 WeakPolarHBondContact O-CA 3.25Å; S654-G657 PolarHBondContact O-N 3.42Å; S654-G657 PolarHBondContact OG-N 2.81Å; Y655-G657 VanDerWaalsContact C-N 3.27Å
658	E	97.5	Very high	95.9	Very high	86 Å²	86	68.3 Å²	68.3	40%	0.402	33%	0.334	S	S	.	.			trans	-65.5	148.5	175.8	-56.1	152.7	113.9	0	0	110.1	R653 S654 F660 Y671	R653-E658 CarbonylContact C-O 3.56Å; R653-E658 WeakPolarHBondContact CA-O 3.48Å; R653-E658 WeakPolarHBondContact CG-O 3.49Å; S654-E658 WeakPolarHBondContact CB-OE2 3.22Å; S654-E658 PolarHBondContact N-O 3.07Å; S654-E658 WeakPolarHBondContact OG-CB 3.42Å; S654-E658 PolarHBondContact OG-N 3.33Å; S654-E658 PolarHBondContact OG-OE2 2.78Å; E658-F660 HydrophobicContact CB-CE2 3.71Å; E658-F660 HydrophobicContact CB-CZ 3.92Å; E658-Y671 PolarHBondContact OE2-OH 2.93Å
659	R	97.4	Very high	95.9	Very high	171 Å²	171	73 Å²	73	65%	0.645	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.3	178.6	-62.5	-173.4	-174.7	-165	2.8	110.8	W652 R653	W652-R659 WeakPolarHBondContact O-CA 3.42Å; R653-R659 HydrophobicContact CG-CG 4.5Å
660	F	97.1	Very high	96	Very high	31 Å²	31	75.2 Å²	75.2	14%	0.136	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	107.6	178.7	-53.9	-94.7	0	0	0	108.7	L647 W652 E658 I662 L666 L668 F681	L647-F660 HydrophobicContact CD1-CD1 4.36Å; L647-F660 HydrophobicContact CD1-CD2 4.4Å; L647-F660 HydrophobicContact CD1-CG 4.19Å; W652-F660 HydrophobicContact CB-CB 4.4Å; W652-F660 PolarHBondContact N-O 2.94Å; W652-F660 PolarHBondContact O-N 2.83Å; E658-F660 HydrophobicContact CB-CE2 3.71Å; E658-F660 HydrophobicContact CB-CZ 3.92Å; F660-I662 HydrophobicContact CB-CD1 3.76Å; F660-I662 HydrophobicContact CB-CG1 3.72Å; F660-I662 PolarHBondContact O-N 3.11Å; F660-L666 HydrophobicContact CD1-CD2 4Å; F660-L668 HydrophobicContact CD1-CD2 4.5Å; F660-L668 HydrophobicContact CE1-CD1 4.04Å; F660-L668 HydrophobicContact CE1-CD2 3.95Å; F660-L668 HydrophobicContact CZ-CD1 4.13Å; F660-F681 HydrophobicContact CD2-CD1 4.44Å; F660-F681 HydrophobicContact CD2-CE1 4.37Å; F660-F681 HydrophobicContact CE2-CD1 4.31Å; F660-F681 AromaticContact CE2-CE1 3.89Å; F660-F681 HydrophobicContact CE2-CE1 3.89Å; F660-F681 HydrophobicContact CZ-CE1 4.45Å
661	D	96.1	Very high	96.2	Very high	117 Å²	117	75.6 Å²	75.6	63%	0.626	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	85	174.8	-65.3	-51.8	0	0	0	108.9	H651	H651-D661 IonicContact CE1-OD1 3.41Å; H651-D661 IonicContact CG-OD1 3.02Å; H651-D661 IonicContact ND1-OD1 3.69Å; H651-D661 PolarHBondContact ND1-OD1 3.32Å
662	I	94	Very high	96.3	Very high	17 Å²	17	74.7 Å²	74.7	9%	0.087	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.1	-164	-57.3	179	0	0	0	110	L647 A649 G650 F660 E664 L666	L647-I662 HydrophobicContact CB-CD1 3.41Å; L647-I662 VanDerWaalsContact CB-CD1 3.41Å; L647-I662 HydrophobicContact CD1-CD1 3.82Å; L647-I662 HydrophobicContact CG-CD1 4.22Å; A649-I662 CarbonylContact C-O 3.6Å; A649-I662 WeakPolarHBondContact CA-O 3.44Å; G650-I662 PolarHBondContact N-O 3.03Å; G650-I662 WeakPolarHBondContact O-CB 3.44Å; G650-I662 PolarHBondContact O-N 3.22Å; F660-I662 HydrophobicContact CB-CD1 3.76Å; F660-I662 HydrophobicContact CB-CG1 3.72Å; F660-I662 PolarHBondContact O-N 3.11Å; I662-E664 WeakPolarHBondContact CG2-O 3.14Å; I662-L666 HydrophobicContact CD1-CB 3.89Å; I662-L666 HydrophobicContact CD1-CD2 4.08Å; I662-L666 HydrophobicContact CG1-CB 4.37Å; I662-L666 HydrophobicContact CG1-CD2 4.34Å; I662-L666 HydrophobicContact CG2-CB 4.1Å
663	K	91.7	Very high	96.3	Very high	189 Å²	189	74.6 Å²	74.6	82%	0.822	37%	0.37	S	S	*	.	S	Bend	trans	-83.8	-39	174.6	-66.2	-174.4	-179.7	-179.6	0	113.4	A649	A649-K663 WeakPolarHBondContact CB-O 3.23Å
664	E	91.9	Very high	96.2	Very high	155 Å²	155	74.1 Å²	74.1	72%	0.724	37%	0.374	S	S	*	.	S	Bend	trans	-126.5	142.8	178.2	-64.1	-62.8	160	0	0	107.3	I662 L666	I662-E664 WeakPolarHBondContact CG2-O 3.14Å; E664-L666 PolarHBondContact O-N 2.87Å
665	P	93.6	Very high	96	Very high	45 Å²	45	76.3 Å²	76.3	29%	0.292	39%	0.385	S	S	.	.			trans	-50.3	136.9	-172.1	-25.4	31.2	0	0	0	114.5	D614 Y646 L647	D614-P665 WeakPolarHBondContact OD2-CG 3.34Å; Y646-P665 HydrophobicContact CE2-CB 3.53Å; L647-P665 WeakPolarHBondContact O-CA 3.39Å
666	L	95.9	Very high	95.9	Very high	62 Å²	62	76.5 Å²	76.5	33%	0.325	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133	-173.9	-178.7	61.3	0	0	0	110.8	L647 F660 I662 E664 L668	L647-L666 HydrophobicContact CB-CB 4.44Å; L647-L666 PolarHBondContact N-O 2.85Å; L647-L666 PolarHBondContact O-N 3.49Å; F660-L666 HydrophobicContact CD1-CD2 4Å; I662-L666 HydrophobicContact CD1-CB 3.89Å; I662-L666 HydrophobicContact CD1-CD2 4.08Å; I662-L666 HydrophobicContact CG1-CB 4.37Å; I662-L666 HydrophobicContact CG1-CD2 4.34Å; I662-L666 HydrophobicContact CG2-CB 4.1Å; E664-L666 PolarHBondContact O-N 2.87Å; L666-L668 HydrophobicContact CD2-CD2 3.71Å; L666-L668 HydrophobicContact CD2-CG 4.44Å; L666-L668 HydrophobicContact CG-CD2 4Å; L666-L668 HydrophobicContact CG-CG 4.48Å
667	H	96.6	Very high	95.9	Very high	106 Å²	106	74.2 Å²	74.2	49%	0.491	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.3	166.3	-70.7	-102.1	0	0	0	109	Y646	Y646-H667 AromaticContact CD2-CE1 3.71Å; Y646-H667 AromaticContact CD2-NE2 3.61Å
668	L	97.4	Very high	96	Very high	28 Å²	28	72.2 Å²	72.2	15%	0.147	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.5	167	-56.2	177.1	0	0	0	107.3	D644 I645 L647 F660 L666 Y671 F681	D644-L668 CarbonylContact C-O 3.54Å; D644-L668 WeakPolarHBondContact CA-O 3.45Å; I645-L668 HydrophobicContact CB-CB 4.3Å; I645-L668 PolarHBondContact N-O 3.39Å; I645-L668 PolarHBondContact O-N 3.03Å; L647-L668 HydrophobicContact CD1-CD1 3.68Å; L647-L668 HydrophobicContact CD1-CG 4.21Å; F660-L668 HydrophobicContact CD1-CD2 4.5Å; F660-L668 HydrophobicContact CE1-CD1 4.04Å; F660-L668 HydrophobicContact CE1-CD2 3.95Å; F660-L668 HydrophobicContact CZ-CD1 4.13Å; L666-L668 HydrophobicContact CD2-CD2 3.71Å; L666-L668 HydrophobicContact CD2-CG 4.44Å; L666-L668 HydrophobicContact CG-CD2 4Å; L666-L668 HydrophobicContact CG-CG 4.48Å; L668-Y671 HydrophobicContact CB-CD2 4.39Å; L668-Y671 HydrophobicContact CD1-CD2 3.77Å; L668-Y671 HydrophobicContact CD1-CE2 4.14Å; L668-F681 HydrophobicContact CD1-CE1 4.32Å; L668-F681 HydrophobicContact CD1-CZ 4.22Å
669	T	96.9	Very high	96	Very high	100 Å²	100	68.1 Å²	68.1	61%	0.613	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	141.9	177.2	54.4	0	0	0	0	110.9	D644 Y671	D644-T669 VanDerWaalsContact OD1-CA 3.27Å; D644-T669 WeakPolarHBondContact OD1-CA 3.49Å; T669-Y671 PolarHBondContact O-N 2.97Å; T669-Y671 VanDerWaalsContact O-N 3.16Å
670	D	96.3	Very high	96.1	Very high	94 Å²	94	61.9 Å²	61.9	50%	0.503	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.7	39.3	177.6	-56.1	-50.5	0	0	0	113.2	D644 P672	D644-D670 PolarHBondContact OD1-N 3.17Å; D644-D670 VanDerWaalsContact OD1-N 3.07Å; D670-P672 WeakPolarHBondContact O-CD 3Å
671	Y	98	Very high	96.1	Very high	15 Å²	15	60.4 Å²	60.4	6%	0.059	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	124.3	-178.2	-180	-85.3	0	0	0	109.9	E642 R643 I645 Y655 E658 L668 T669 V673 A679 F681	E642-Y671 CarbonylContact C-O 3.59Å; E642-Y671 VanDerWaalsContact CA-O 3.26Å; E642-Y671 WeakPolarHBondContact CA-O 3.27Å; R643-Y671 PolarHBondContact N-O 3.46Å; R643-Y671 WeakPolarHBondContact O-CB 3.48Å; R643-Y671 PolarHBondContact O-N 2.98Å; I645-Y671 HydrophobicContact CD1-CD1 3.45Å; I645-Y671 VanDerWaalsContact CD1-CD1 3.45Å; I645-Y671 HydrophobicContact CD1-CE1 4.08Å; I645-Y671 HydrophobicContact CD1-CG 3.77Å; Y655-Y671 AromaticContact CE1-CE1 3.96Å; Y655-Y671 HydrophobicContact CE1-CE1 3.96Å; E658-Y671 PolarHBondContact OE2-OH 2.93Å; L668-Y671 HydrophobicContact CB-CD2 4.39Å; L668-Y671 HydrophobicContact CD1-CD2 3.77Å; L668-Y671 HydrophobicContact CD1-CE2 4.14Å; T669-Y671 PolarHBondContact O-N 2.97Å; T669-Y671 VanDerWaalsContact O-N 3.16Å; Y671-V673 HydrophobicContact CD1-CG2 3.76Å; Y671-V673 HydrophobicContact CE1-CG2 4.13Å; Y671-V673 PolarHBondContact O-N 2.93Å; Y671-A679 HydrophobicContact CD1-CB 4.38Å; Y671-A679 HydrophobicContact CE1-CB 4.08Å; Y671-F681 HydrophobicContact CE2-CZ 4.43Å
672	P	98	Very high	96.2	Very high	74 Å²	74	57.5 Å²	57.5	48%	0.481	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	127.4	-173.7	-23.8	35.1	0	0	0	114.1	Y655 K656 D670	Y655-P672 PolarHBondContact OH-O 3.32Å; K656-P672 PolarHBondContact NZ-O 2.87Å; D670-P672 WeakPolarHBondContact O-CD 3Å
673	V	97.7	Very high	96.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.311	C	S	.	.			trans	-143.1	86.1	179.3	-172	0	0	0	0	108.3	R546 V635 Q641 R643 Y671 E677 A679	R546-V673 PolarHBondContact NH2-O 2.99Å; V635-V673 HydrophobicContact CG2-CB 3.87Å; V635-V673 HydrophobicContact CG2-CG1 3.85Å; Q641-V673 CarbonylContact C-O 3.53Å; Q641-V673 WeakPolarHBondContact CA-O 3.27Å; Q641-V673 CarbonylContact O-C 3.44Å; Q641-V673 VanDerWaalsContact O-C 3.31Å; Q641-V673 PolarHBondContact O-N 3.23Å; R643-V673 HydrophobicContact CG-CG2 4.26Å; Y671-V673 HydrophobicContact CD1-CG2 3.76Å; Y671-V673 HydrophobicContact CE1-CG2 4.13Å; Y671-V673 PolarHBondContact O-N 2.93Å; V673-E677 HydrophobicContact CG1-CB 4.13Å; V673-E677 WeakPolarHBondContact CG1-O 3.26Å; V673-A679 HydrophobicContact CG2-CB 3.79Å
674	D	97.2	Very high	96	Very high	81 Å²	81	57.1 Å²	57.1	43%	0.433	30%	0.298	S	S	.	.			trans	-60	164.8	-176.6	-65.5	-27.8	0	0	0	111.7	R546 D676 E677	R546-D674 PolarHBondContact NH1-O 3.33Å; R546-D674 PolarHBondContact NH2-O 3.33Å; D674-D676 PolarHBondContact O-N 2.71Å; D674-E677 HydrophobicContact CB-CG 4.33Å; D674-E677 PolarHBondContact O-N 3.31Å
675	L	93.8	Very high	96.3	Very high	50 Å²	50	52.2 Å²	52.2	26%	0.262	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	131.8	169	-172.4	67.1	0	0	0	108.9	E542 I545 Q641	E542-L675 HydrophobicContact CG-CD1 4.08Å; I545-L675 HydrophobicContact CB-CD1 4.06Å; I545-L675 HydrophobicContact CD1-CD1 4.24Å; I545-L675 HydrophobicContact CD1-CD2 4.06Å; I545-L675 HydrophobicContact CD1-CG 4.29Å; I545-L675 HydrophobicContact CG2-CD1 3.55Å; I545-L675 HydrophobicContact CG2-CG 4.17Å; Q641-L675 VanDerWaalsContact OE1-N 3.13Å
676	D	93.8	Very high	96.4	Very high	53 Å²	53	52.6 Å²	52.6	28%	0.283	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-8.3	-165	106.4	-6.7	0	0	0	116.5	E549 I573 K576 Y577 D674	E549-D676 VanDerWaalsContact OE1-CA 3.29Å; E549-D676 WeakPolarHBondContact OE1-CA 3.32Å; E549-D676 PolarHBondContact OE1-N 2.71Å; I573-D676 HydrophobicContact CD1-CB 3.84Å; I573-D676 HydrophobicContact CG1-CB 3.81Å; I573-D676 HydrophobicContact CG2-CB 4.33Å; K576-D676 WeakPolarHBondContact CE-O 3.44Å; K576-D676 PolarHBondContact NZ-O 3.48Å; K576-D676 IonicContact NZ-OD1 3.89Å; K576-D676 PolarHBondContact NZ-OD1 2.81Å; K576-D676 IonicContact NZ-OD2 3.19Å; K576-D676 PolarHBondContact NZ-OD2 2.89Å; Y577-D676 WeakPolarHBondContact CE2-O 3.47Å; Y577-D676 VanDerWaalsContact CZ-O 3.3Å; Y577-D676 PolarHBondContact OH-O 2.89Å; D674-D676 PolarHBondContact O-N 2.71Å
677	E	96.8	Very high	96.4	Very high	40 Å²	40	52.1 Å²	52.1	19%	0.187	27%	0.274	C	S	.	.			trans	-106.2	149.4	173.7	-63.6	-160.8	130.7	0	0	112.2	R546 Y577 Y655 K656 V673 D674	R546-E677 PolarHBondContact NH1-O 2.71Å; Y577-E677 VanDerWaalsContact OH-C 3.28Å; Y577-E677 WeakPolarHBondContact OH-CA 2.9Å; Y655-E677 HydrophobicContact CE2-CB 4.24Å; Y655-E677 HydrophobicContact CE2-CG 4.34Å; Y655-E677 PolarHBondContact OH-OE2 2.76Å; K656-E677 WeakPolarHBondContact CE-OE1 3.24Å; K656-E677 WeakPolarHBondContact CE-OE2 3.38Å; K656-E677 IonicContact NZ-OE1 3.67Å; K656-E677 IonicContact NZ-OE2 2.73Å; K656-E677 PolarHBondContact NZ-OE2 2.75Å; V673-E677 HydrophobicContact CG1-CB 4.13Å; V673-E677 WeakPolarHBondContact CG1-O 3.26Å; D674-E677 HydrophobicContact CB-CG 4.33Å; D674-E677 PolarHBondContact O-N 3.31Å
678	I	97.4	Very high	96.4	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.015	26%	0.261	C	S	.	.			trans	-130.6	131.9	167.9	-177.1	165.1	0	0	0	109.1	E549 F553 Y577 V632 P634 Y680	E549-I678 HydrophobicContact CB-CB 4.31Å; E549-I678 HydrophobicContact CB-CD1 4.31Å; E549-I678 WeakPolarHBondContact O-CD1 3.44Å; F553-I678 HydrophobicContact CD2-CD1 4.08Å; F553-I678 HydrophobicContact CD2-CG2 4.01Å; F553-I678 HydrophobicContact CE2-CG2 3.4Å; F553-I678 HydrophobicContact CZ-CG2 4.04Å; Y577-I678 HydrophobicContact CE1-CG2 3.6Å; Y577-I678 PolarHBondContact OH-N 2.71Å; V632-I678 HydrophobicContact CG1-CD1 3.63Å; V632-I678 HydrophobicContact CG1-CG1 4.09Å; P634-I678 HydrophobicContact CB-CD1 3.85Å; P634-I678 HydrophobicContact CB-CG1 4.36Å; I678-Y680 HydrophobicContact CG2-CD1 4.42Å; I678-Y680 PolarHBondContact O-N 2.77Å
679	A	98.4	Very high	96.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	117.2	176.1	0	0	0	0	0	110.8	A633 I645 Y655 Y671 V673 F681	A633-A679 HydrophobicContact CB-CB 4.27Å; A633-A679 PolarHBondContact N-O 3.23Å; I645-A679 HydrophobicContact CD1-CB 3.48Å; I645-A679 VanDerWaalsContact CD1-CB 3.48Å; Y655-A679 VanDerWaalsContact CE1-CA 3.48Å; Y655-A679 HydrophobicContact CE1-CB 3.96Å; Y671-A679 HydrophobicContact CD1-CB 4.38Å; Y671-A679 HydrophobicContact CE1-CB 4.08Å; V673-A679 HydrophobicContact CG2-CB 3.79Å; A679-F681 HydrophobicContact CB-CE2 4.09Å
680	Y	98.5	Very high	96.3	Very high	39 Å²	39	46.9 Å²	46.9	15%	0.153	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154.5	166	70	-90.4	0	0	0	111.1	F553 L630 M631 Y655 I678 V682	F553-Y680 AromaticContact CE1-CD1 3.84Å; F553-Y680 HydrophobicContact CE1-CD1 3.84Å; F553-Y680 HydrophobicContact CE1-CD2 4.36Å; F553-Y680 HydrophobicContact CE1-CE1 4.43Å; F553-Y680 AromaticContact CE1-CG 3.79Å; F553-Y680 HydrophobicContact CE1-CG 3.79Å; F553-Y680 HydrophobicContact CE2-CD1 4.42Å; F553-Y680 AromaticContact CZ-CD1 3.45Å; F553-Y680 HydrophobicContact CZ-CD1 3.45Å; F553-Y680 VanDerWaalsContact CZ-CD1 3.45Å; F553-Y680 AromaticContact CZ-CE1 3.83Å; F553-Y680 HydrophobicContact CZ-CE1 3.83Å; F553-Y680 AromaticContact CZ-CG 3.92Å; F553-Y680 HydrophobicContact CZ-CG 3.92Å; L630-Y680 HydrophobicContact CD1-CD2 3.73Å; L630-Y680 HydrophobicContact CD1-CG 4.31Å; M631-Y680 CarbonylContact O-C 3.58Å; M631-Y680 WeakPolarHBondContact O-CA 3.34Å; M631-Y680 WeakPolarHBondContact O-CB 3.35Å; Y655-Y680 HydrophobicContact CG-CD1 4.24Å; Y655-Y680 HydrophobicContact CG-CE1 4.1Å; Y655-Y680 PolarHBondContact N-O 3.28Å; I678-Y680 HydrophobicContact CG2-CD1 4.42Å; I678-Y680 PolarHBondContact O-N 2.77Å; Y680-V682 HydrophobicContact CD2-CG2 4.24Å; Y680-V682 HydrophobicContact CE2-CG2 4.22Å
681	F	98.4	Very high	96.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	132.8	-175.1	-59	-102.8	0	0	0	109	L630 M631 I645 L647 W652 R653 F660 L668 Y671 A679	L630-F681 WeakPolarHBondContact CA-O 3.36Å; M631-F681 HydrophobicContact CB-CB 4.43Å; M631-F681 HydrophobicContact CE-CD2 3.6Å; M631-F681 HydrophobicContact CE-CE2 4.05Å; M631-F681 HydrophobicContact CE-CG 4.3Å; M631-F681 PolarHBondContact N-O 2.66Å; M631-F681 PolarHBondContact O-N 2.86Å; I645-F681 HydrophobicContact CD1-CE2 3.93Å; I645-F681 HydrophobicContact CD1-CZ 4.03Å; I645-F681 HydrophobicContact CG2-CE2 3.82Å; I645-F681 HydrophobicContact CG2-CZ 4.1Å; L647-F681 HydrophobicContact CD1-CD1 4.21Å; L647-F681 HydrophobicContact CD1-CE1 3.97Å; L647-F681 HydrophobicContact CD1-CZ 4.5Å; L647-F681 HydrophobicContact CD2-CB 4.24Å; L647-F681 HydrophobicContact CD2-CD1 3.84Å; L647-F681 HydrophobicContact CD2-CD2 4.07Å; L647-F681 HydrophobicContact CD2-CE1 4.18Å; L647-F681 HydrophobicContact CD2-CE2 4.42Å; L647-F681 HydrophobicContact CD2-CG 3.79Å; L647-F681 HydrophobicContact CD2-CZ 4.47Å; W652-F681 HydrophobicContact CB-CB 4.48Å; W652-F681 HydrophobicContact CD2-CB 4.47Å; W652-F681 HydrophobicContact CE3-CB 3.82Å; R653-F681 CarbonylContact O-C 3.54Å; R653-F681 VanDerWaalsContact O-CA 3.26Å; R653-F681 WeakPolarHBondContact O-CA 3.37Å; F660-F681 HydrophobicContact CD2-CD1 4.44Å; F660-F681 HydrophobicContact CD2-CE1 4.37Å; F660-F681 HydrophobicContact CE2-CD1 4.31Å; F660-F681 AromaticContact CE2-CE1 3.89Å; F660-F681 HydrophobicContact CE2-CE1 3.89Å; F660-F681 HydrophobicContact CZ-CE1 4.45Å; L668-F681 HydrophobicContact CD1-CE1 4.32Å; L668-F681 HydrophobicContact CD1-CZ 4.22Å; Y671-F681 HydrophobicContact CE2-CZ 4.43Å; A679-F681 HydrophobicContact CB-CE2 4.09Å
682	V	97.7	Very high	96.2	Very high	56 Å²	56	45.7 Å²	45.7	34%	0.339	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.3	179.2	-158	0	0	0	0	109	D629 L630 W652 R653 Y680	D629-V682 CarbonylContact O-C 3.55Å; D629-V682 WeakPolarHBondContact O-CA 3.36Å; L630-V682 HydrophobicContact CD1-CG2 4.31Å; W652-V682 CarbonylContact C-O 3.3Å; W652-V682 WeakPolarHBondContact CA-O 2.96Å; R653-V682 PolarHBondContact N-O 3.45Å; R653-V682 PolarHBondContact O-N 3.04Å; Y680-V682 HydrophobicContact CD2-CG2 4.24Å; Y680-V682 HydrophobicContact CE2-CG2 4.22Å
683	W	93	Very high	96	Very high	105 Å²	105	43.3 Å²	43.3	40%	0.398	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	138.6	171.4	-163.8	-70.2	0	0	0	110.2	I610 D629 H651 W652	I610-W683 HydrophobicContact CD1-CZ3 4.39Å; D629-W683 HydrophobicContact CB-CB 4.02Å; D629-W683 PolarHBondContact O-N 2.75Å; H651-W683 WeakPolarHBondContact O-CA 3.13Å; W652-W683 HydrophobicContact CD2-CE3 4.31Å; W652-W683 AromaticContact CE2-CE3 3.75Å; W652-W683 AromaticContact CE2-CZ3 3.91Å; W652-W683 AromaticContact CH2-CE3 3.74Å; W652-W683 HydrophobicContact CH2-CE3 3.74Å; W652-W683 HydrophobicContact CH2-CZ3 4.31Å; W652-W683 AromaticContact CZ2-CE3 3.46Å; W652-W683 HydrophobicContact CZ2-CE3 3.46Å; W652-W683 VanDerWaalsContact CZ2-CE3 3.46Å; W652-W683 AromaticContact CZ2-CZ3 3.63Å; W652-W683 HydrophobicContact CZ2-CZ3 3.63Å; W652-W683 HydrophobicContact CZ3-CB 4.4Å; W652-W683 HydrophobicContact CZ3-CE3 4.27Å
684	V	89.5	Confident	95.9	Very high	93 Å²	93	47.3 Å²	47.3	56%	0.564	24%	0.239	S	C	*	.			trans	-137.1	0	-171.1	-67.8	0	0	0	0	115.6	H651 R653	H651-V684 HydrophobicContact CB-CG2 4.25Å; H651-V684 WeakPolarHBondContact CB-O 3.33Å; H651-V684 PolarHBondContact O-N 3.25Å; R653-V684 HydrophobicContact CB-CG1 3.68Å; R653-V684 HydrophobicContact CB-CG2 4.19Å

Retrieved 684 of 684 residues in 4769.6 ms (Link to these results)

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