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Kelch domain-containing protein 10

Substrate-recognition component of a Cul2-RING (CRL2) E3 ubiquitin-protein ligase complex of the DesCEND (destruction via C-end degrons) pathway, which recognizes a C-degron located at the extreme C-terminus of target proteins, leading to their ubiquitination and degradation^1,2. The C-degron recognized by the DesCEND pathway is usually a motif of less than ten residues and can be present in full-length proteins, truncated proteins or proteolytically cleaved forms^3,4,5. The CRL2(KLHDC10) complex specifically recognizes proteins with a proline-glycine (Pro-Gly) or an alanine tail (CAT tail) at the C-terminus, leading to their ubiquitination and degradation^6,7. The CRL2(KLHDC10) complex is involved in the ribosome-associated quality control (RQC) pathway, which mediates the extraction of incompletely synthesized nascent chains from stalled ribosomes: CRL2(KLHDC10) acts downstream of NEMF and recognizes CAT tails associated with stalled nascent chains, leading to their ubiquitination and degradation⁸. Participates in the oxidative stress-induced cell death through MAP3K5 activation⁹. Inhibits PPP5C phosphatase activity on MAP3K5¹⁰. Acts as a regulator of necroptosis (By similarity).

AlphaFold DB , UniProt , Accession Q6PID8, Species HUMAN (Homo sapiens, Human), Gene KLHDC10, Length 442 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	35.8	Very low	33.7	Very low	162 Å²	162	118.1 Å²	118.1	80%	0.798	57%	0.565	S	S	*	*				0	117.3	0	-72	179.9	-157.5	0	0	107.4	I386	M1-I386 PolarHBondContact N-O 2.93Å
2	S	36.4	Very low	33.3	Very low	14 Å²	14	128.7 Å²	128.7	10%	0.098	60%	0.595	C	S	.	*			trans	-67.7	140.4	172.5	75.7	0	0	0	0	108.5	A4 Q5 G6	S2-A4 PolarHBondContact O-N 3.17Å; S2-Q5 CarbonylContact O-C 3.52Å; S2-Q5 WeakPolarHBondContact O-CA 3.36Å; S2-Q5 PolarHBondContact O-N 3.25Å; S2-Q5 WeakPolarHBondContact OG-CB 3.46Å; S2-Q5 WeakPolarHBondContact OG-CG 3.36Å; S2-Q5 PolarHBondContact OG-OE1 3.15Å; S2-Q5 VanDerWaalsContact OG-OE1 3.12Å; S2-G6 PolarHBondContact O-N 3.21Å
3	A	42.5	Very low	32.6	Very low	48 Å²	48	138.7 Å²	138.7	40%	0.397	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61	-19.6	-167.7	0	0	0	0	0	114.8	F176	A3-F176 HydrophobicContact CB-CD2 3.45Å; A3-F176 VanDerWaalsContact CB-CD2 3.45Å; A3-F176 HydrophobicContact CB-CE2 3.36Å
4	A	36.8	Very low	32	Very low	40 Å²	40	134.1 Å²	134.1	33%	0.331	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.3	-27	170	0	0	0	0	0	113.3	S2	S2-A4 PolarHBondContact O-N 3.17Å
5	Q	38.9	Very low	31.5	Very low	75 Å²	75	130.7 Å²	130.7	35%	0.35	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.2	-18.6	179.9	-67.9	176.1	-22	0	0	113.5	S2 W7 S280	S2-Q5 CarbonylContact O-C 3.52Å; S2-Q5 WeakPolarHBondContact O-CA 3.36Å; S2-Q5 PolarHBondContact O-N 3.25Å; S2-Q5 WeakPolarHBondContact OG-CB 3.46Å; S2-Q5 WeakPolarHBondContact OG-CG 3.36Å; S2-Q5 PolarHBondContact OG-OE1 3.15Å; S2-Q5 VanDerWaalsContact OG-OE1 3.12Å; Q5-W7 VanDerWaalsContact C-N 3.34Å; Q5-S280 PolarHBondContact NE2-O 3.05Å
6	G	34.9	Very low	31	Very low	25 Å²	25	127.3 Å²	127.3	26%	0.258	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	-19.3	-178.2	0	0	0	0	0	114.7	S2	S2-G6 PolarHBondContact O-N 3.21Å
7	W	33.4	Very low	30.7	Very low	199 Å²	199	125.8 Å²	125.8	75%	0.754	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-29.4	-177.3	-97.4	31.6	0	0	0	114.1	Q5	Q5-W7 VanDerWaalsContact C-N 3.34Å
8	D	28.4	Very low	30.3	Very low	125 Å²	125	124.9 Å²	124.9	67%	0.668	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-87	-10	-174.9	-94.2	-23.4	0	0	0	115.7	N10 R11	D8-N10 PolarHBondContact O-N 2.87Å; D8-R11 PolarHBondContact O-N 2.87Å
9	R	27.3	Very low	30.2	Very low	225 Å²	225	122.7 Å²	122.7	85%	0.849	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-74.3	-6.4	178.5	-87.9	-168.3	178.4	-172.4	0.6	115.3	R11	R9-R11 PolarHBondContact O-N 2.73Å
10	N	26.6	Very low	29.9	Very low	164 Å²	164	122.2 Å²	122.2	88%	0.877	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-79.7	4.7	170.8	-95.4	-2.3	0	0	0	114.2	D8	D8-N10 PolarHBondContact O-N 2.87Å
11	R	29.6	Very low	29.6	Very low	222 Å²	222	120.1 Å²	120.1	84%	0.838	71%	0.709	S	S	*	*	S	Bend	trans	-134.3	72.6	172	-71.3	-174.7	179	173.8	0.2	111.9	D8 R9	D8-R11 PolarHBondContact O-N 2.87Å; R9-R11 PolarHBondContact O-N 2.73Å
12	R	29.4	Very low	29.1	Very low	245 Å²	245	116.3 Å²	116.3	93%	0.925	71%	0.71	S	S	*	*			trans	173.7	89.1	142.7	-93.7	158	-168.6	-154.9	4.8	109.1
13	R	23.3	Very low	28.3	Very low	259 Å²	259	119.8 Å²	119.8	98%	0.977	75%	0.749	S	S	*	*			trans	-77.8	120.9	150	-77.4	-176.2	174.1	-171.1	-1.6	106.3
14	G	25	Very low	27.6	Very low	74 Å²	74	121.4 Å²	121.4	76%	0.763	77%	0.77	S	S	*	*			trans	166.6	105.9	170.7	0	0	0	0	0	113.7
15	G	25.1	Very low	27.1	Very low	84 Å²	84	125.8 Å²	125.8	87%	0.866	80%	0.799	S	S	*	*			trans	75.4	128	163.9	0	0	0	0	0	115.1
16	G	22	Very low	26.6	Very low	76 Å²	76	126 Å²	126	78%	0.784	82%	0.821	S	S	*	*			cis	117.4	130.5	21.5	0	0	0	0	0	109.3
17	A	27.1	Very low	26.1	Very low	102 Å²	102	130.2 Å²	130.2	84%	0.843	85%	0.853	S	S	*	*			trans	76.9	109	178.6	0	0	0	0	0	115.9
18	A	23.9	Very low	25.8	Very low	110 Å²	110	124.7 Å²	124.7	91%	0.909	86%	0.858	S	S	*	*				70	108.1	60.5	0	0	0	0	0	112.7
19	G	27.7	Very low	25.4	Very low	83 Å²	83	122.6 Å²	122.6	86%	0.856	87%	0.866	S	S	*	*			trans	-171.3	97.2	174	0	0	0	0	0	109.5
20	A	23.6	Very low	25.2	Very low	111 Å²	111	115.3 Å²	115.3	92%	0.917	86%	0.861	S	S	*	*			trans	-82.9	159	176.8	0	0	0	0	0	111.3
21	G	24.5	Very low	25.1	Very low	80 Å²	80	113.6 Å²	113.6	83%	0.825	86%	0.862	S	S	*	*			trans	149.1	114.3	153	0	0	0	0	0	116.9
22	G	24.1	Very low	24.8	Very low	81 Å²	81	107.2 Å²	107.2	84%	0.835	87%	0.865	S	S	*	*			trans	80.3	117.7	148.4	0	0	0	0	0	116.1
23	G	21.3	Very low	24.5	Very low	88 Å²	88	98.5 Å²	98.5	91%	0.907	85%	0.852	S	S	*	*			cis	88.6	102.4	32.7	0	0	0	0	0	109.6
24	G	27.5	Very low	24.7	Very low	82 Å²	82	92.4 Å²	92.4	85%	0.845	85%	0.848	S	S	*	*			trans	175.8	73.8	-178.2	0	0	0	0	0	113.5
25	S	25.1	Very low	24.7	Very low	132 Å²	132	92.8 Å²	92.8	92%	0.923	85%	0.853	S	S	*	*			trans	-69.2	134.1	163.7	46.8	0	0	0	0	111
26	G	29.4	Very low	24.8	Very low	80 Å²	80	92.3 Å²	92.3	83%	0.825	85%	0.848	S	S	*	*			trans	-150.6	106.9	170.5	0	0	0	0	0	110.2
27	A	24.3	Very low	25.2	Very low	112 Å²	112	101 Å²	101	93%	0.926	86%	0.857	S	S	*	*			trans	-97.6	153.4	173.2	0	0	0	0	0	110.4
28	G	25.9	Very low	25.6	Very low	83 Å²	83	99.3 Å²	99.3	86%	0.856	85%	0.849	S	S	*	*			trans	133.3	128.7	174.1	0	0	0	0	0	109.6
29	G	21.3	Very low	26.6	Very low	82 Å²	82	101 Å²	101	85%	0.845	85%	0.848	S	S	*	*			cis	142.1	134.5	13.7	0	0	0	0	0	107.4
30	G	23	Very low	28.1	Very low	71 Å²	71	99.4 Å²	99.4	73%	0.732	83%	0.832	S	S	*	*			trans	87.7	113.4	168.6	0	0	0	0	0	115.1
31	S	24.4	Very low	30.3	Very low	129 Å²	129	97.6 Å²	97.6	90%	0.902	80%	0.804	S	S	*	*				86.4	127	59.1	70.8	0	0	0	0	114.2
32	G	23.9	Very low	33.3	Very low	87 Å²	87	97 Å²	97	90%	0.897	78%	0.782	S	S	*	*			trans	105.9	125.5	170.3	0	0	0	0	0	111.8
33	G	23	Very low	36.2	Very low	63 Å²	63	95 Å²	95	65%	0.649	75%	0.752	S	S	*	*			cis	155	154.9	11.9	0	0	0	0	0	106.9
34	S	26.3	Very low	39.6	Very low	130 Å²	130	99.4 Å²	99.4	91%	0.909	74%	0.741	S	S	*	*			trans	67.7	125.4	173.8	74.9	0	0	0	0	115.6
35	G	24.7	Very low	42.8	Very low	83 Å²	83	96.8 Å²	96.8	86%	0.856	71%	0.707	S	S	*	*			cis	103	60	47.3	0	0	0	0	0	109
36	G	28.6	Very low	46.1	Very low	74 Å²	74	93.7 Å²	93.7	76%	0.763	68%	0.682	S	S	*	*			trans	-129.5	86.8	175.9	0	0	0	0	0	110.5	G38	G36-G38 PolarHBondContact O-N 3.2Å
37	R	29.5	Very low	49.2	Very low	259 Å²	259	95.1 Å²	95.1	98%	0.977	67%	0.667	S	S	*	*			trans	-71.3	70	159.6	-81.1	-175.9	173	-173.8	-1	108.3
38	G	35.2	Very low	52.4	Low	66 Å²	66	92.4 Å²	92.4	68%	0.68	64%	0.637	S	S	*	*			trans	-99.1	97.7	166.6	0	0	0	0	0	108.5	G36 G40	G36-G38 PolarHBondContact O-N 3.2Å; G38-G40 PolarHBondContact O-N 3Å
39	T	44.8	Very low	55	Low	145 Å²	145	89.3 Å²	89.3	89%	0.89	60%	0.602	S	S	*	*			trans	-74.4	41	171.8	51.5	0	0	0	0	111.8
40	G	60.2	Low	56.8	Low	49 Å²	49	87 Å²	87	51%	0.505	58%	0.578	S	S	.	*			trans	-76.9	131	-178.9	0	0	0	0	0	111.7	G38 L42	G38-G40 PolarHBondContact O-N 3Å; G40-L42 VanDerWaalsContact C-N 3.31Å
41	Q	69.8	Low	58	Low	73 Å²	73	90 Å²	90	34%	0.341	57%	0.568	S	S	.	*			trans	-79.3	-13.8	170.2	-73.8	-173.6	-32.6	0	0	113	E411	Q41-E411 PolarHBondContact NE2-OE2 3.3Å
42	L	86.4	Confident	58.6	Low	69 Å²	69	88.5 Å²	88.5	36%	0.361	56%	0.555	S	S	.	*	B	Isolated β-bridge	trans	-67.5	139.5	-178.6	-171.2	71.3	0	0	0	110.9	G40 R44 V401 V402	G40-L42 VanDerWaalsContact C-N 3.31Å; L42-R44 PolarHBondContact O-N 2.97Å; L42-R44 VanDerWaalsContact O-N 3.08Å; L42-V401 VanDerWaalsContact CD1-C 3.44Å; L42-V401 WeakPolarHBondContact CD1-O 3.39Å; L42-V402 HydrophobicContact CD2-CG2 4.41Å
43	N	86.1	Confident	58.9	Low	38 Å²	38	93.4 Å²	93.4	20%	0.203	55%	0.554	C	S	.	*	T	Hydrogen-bonded Turn	trans	58.8	20	174.6	-58.8	-33.8	0	0	0	115.1	L356 P357 A358 W399	N43-L356 WeakPolarHBondContact OD1-CD2 3.42Å; N43-P357 HydrophobicContact CB-CG 4.19Å; N43-A358 HydrophobicContact CB-CB 4.32Å; N43-A358 VanDerWaalsContact O-CB 3.23Å; N43-A358 WeakPolarHBondContact O-CB 3.48Å; N43-W399 PolarHBondContact N-O 3.08Å; N43-W399 VanDerWaalsContact N-O 3.16Å
44	R	91.8	Very high	59.8	Low	180 Å²	180	96.5 Å²	96.5	68%	0.679	56%	0.555	S	S	*	*			trans	-113.3	125.7	175.2	-173.1	175.1	178.5	173.6	0.7	110.5	L42	L42-R44 PolarHBondContact O-N 2.97Å; L42-R44 VanDerWaalsContact O-N 3.08Å
45	F	95	Very high	60	Low	27 Å²	27	96 Å²	96	12%	0.118	55%	0.549	C	S	.	.			trans	-71.2	137.6	171.7	-80.6	-73.9	0	0	0	111.6	I343 T359 M360 P361 I379 F396 K397 I398	F45-I343 HydrophobicContact CE2-CD1 3.37Å; F45-I343 HydrophobicContact CE2-CG1 4.31Å; F45-I343 HydrophobicContact CZ-CD1 3.45Å; F45-I343 VanDerWaalsContact CZ-CD1 3.45Å; F45-I343 HydrophobicContact CZ-CG1 4.23Å; F45-T359 WeakPolarHBondContact CD2-O 3.27Å; F45-T359 WeakPolarHBondContact CE2-O 3.3Å; F45-M360 VanDerWaalsContact CE2-CA 3.49Å; F45-M360 HydrophobicContact CE2-CB 4.31Å; F45-M360 HydrophobicContact CE2-CG 3.92Å; F45-M360 HydrophobicContact CZ-CB 4.36Å; F45-M360 HydrophobicContact CZ-CG 3.64Å; F45-P361 HydrophobicContact CB-CG 3.76Å; F45-P361 HydrophobicContact CG-CG 4.2Å; F45-I379 HydrophobicContact CE1-CD1 3.65Å; F45-I379 HydrophobicContact CE1-CG1 4.43Å; F45-I379 HydrophobicContact CZ-CD1 3.84Å; F45-F396 HydrophobicContact CD1-CB 3.91Å; F45-F396 HydrophobicContact CE1-CB 4.38Å; F45-K397 CarbonylContact C-O 3.6Å; F45-K397 WeakPolarHBondContact CA-O 3.47Å; F45-I398 HydrophobicContact CD1-CB 3.89Å; F45-I398 HydrophobicContact CD1-CD1 4.42Å; F45-I398 HydrophobicContact CD1-CG2 4.16Å; F45-I398 HydrophobicContact CD2-CD1 3.99Å; F45-I398 HydrophobicContact CE1-CB 3.94Å; F45-I398 HydrophobicContact CE1-CD1 4.36Å; F45-I398 HydrophobicContact CE1-CG2 3.7Å; F45-I398 HydrophobicContact CE2-CD1 3.94Å; F45-I398 HydrophobicContact CG-CB 4.41Å; F45-I398 HydrophobicContact CG-CD1 4.26Å; F45-I398 HydrophobicContact CZ-CD1 4.14Å; F45-I398 HydrophobicContact CZ-CG2 4.17Å
46	V	94.6	Very high	60.5	Low	67 Å²	67	95.6 Å²	95.6	41%	0.406	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.2	170.5	-179.7	0	0	0	0	107.8	L48 F396 K397	V46-L48 HydrophobicContact CG1-CD2 4.15Å; V46-F396 CarbonylContact O-C 3.52Å; V46-F396 VanDerWaalsContact O-CA 3.3Å; V46-F396 WeakPolarHBondContact O-CA 3.16Å; V46-K397 HydrophobicContact CB-CG 4.05Å; V46-K397 PolarHBondContact N-O 3.2Å; V46-K397 PolarHBondContact O-N 3.48Å
47	Q	94.4	Very high	60.8	Low	111 Å²	111	101.2 Å²	101.2	52%	0.519	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.8	172.7	-168.8	170.9	3.9	0	0	109.8	F396	Q47-F396 HydrophobicContact CB-CD1 3.76Å; Q47-F396 HydrophobicContact CB-CE1 3.64Å; Q47-F396 HydrophobicContact CG-CD1 3.98Å; Q47-F396 HydrophobicContact CG-CE1 3.59Å; Q47-F396 HydrophobicContact CG-CZ 4.22Å
48	L	91.8	Very high	61	Low	54 Å²	54	97.9 Å²	97.9	28%	0.283	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-35.6	-176.5	-61.3	176.1	0	0	0	112.4	V46 Y134 Y378 L395 K397	V46-L48 HydrophobicContact CG1-CD2 4.15Å; L48-Y134 HydrophobicContact CD1-CE1 4.07Å; L48-Y378 HydrophobicContact CD1-CD1 3.83Å; L48-Y378 HydrophobicContact CD1-CE1 3.38Å; L48-L395 HydrophobicContact CB-CB 4.37Å; L48-L395 HydrophobicContact CB-CD2 3.95Å; L48-L395 HydrophobicContact CB-CG 4.18Å; L48-L395 HydrophobicContact CD1-CD2 3.81Å; L48-L395 HydrophobicContact CD1-CG 4.12Å; L48-L395 PolarHBondContact N-O 2.95Å; L48-K397 HydrophobicContact CD1-CB 3.89Å; L48-K397 HydrophobicContact CD1-CD 4.03Å; L48-K397 HydrophobicContact CD1-CG 3.87Å; L48-K397 HydrophobicContact CD2-CD 4.22Å; L48-K397 HydrophobicContact CD2-CG 4.21Å; L48-K397 HydrophobicContact CG-CG 4.17Å
49	S	80.8	Confident	60.7	Low	18 Å²	18	104.8 Å²	104.8	13%	0.126	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-145	153.1	171.9	61.8	0	0	0	0	110.5	W141 S394 L395	S49-W141 PolarHBondContact OG-NE1 3.38Å; S49-W141 VanDerWaalsContact OG-NE1 3.11Å; S49-S394 WeakPolarHBondContact O-CA 3.3Å; S49-L395 PolarHBondContact N-O 3.3Å; S49-L395 PolarHBondContact O-N 2.85Å; S49-L395 WeakPolarHBondContact OG-CB 3.42Å
50	G	58.1	Low	60.2	Low	34 Å²	34	104.9 Å²	104.9	35%	0.351	55%	0.545	S	S	.	.			trans	-163.4	167.6	-172.5	0	0	0	0	0	113.5
51	R	48.9	Very low	58.7	Low	135 Å²	135	114 Å²	114	51%	0.509	56%	0.564	S	S	.	*			trans	-42.3	122.2	-167.1	-79	-167.6	-172.3	162.5	17.3	113.9	H53	R51-H53 PolarHBondContact O-N 3.22Å
52	P	37.7	Very low	56.8	Low	96 Å²	96	120.4 Å²	120.4	62%	0.623	59%	0.585	S	S	*	*			trans	-61.2	125.2	154.7	-12.4	26.8	0	0	0	108.1	L54	P52-L54 PolarHBondContact O-N 3.04Å
53	H	30.1	Very low	54.2	Low	191 Å²	191	123.9 Å²	123.9	88%	0.884	61%	0.605	S	S	*	*			trans	-62.6	103.3	164.2	-111.3	-65.1	0	0	0	107.6	R51	R51-H53 PolarHBondContact O-N 3.22Å
54	L	41.1	Very low	51.8	Low	128 Å²	128	127.7 Å²	127.7	67%	0.67	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-80.2	127	164.4	-76.3	165.9	0	0	0	107.9	P52	P52-L54 PolarHBondContact O-N 3.04Å
55	P	29.5	Very low	49.1	Very low	120 Å²	120	125.6 Å²	125.6	78%	0.779	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-65.9	150.5	175.7	23.6	-28.1	0	0	0	111.4
56	G	36.3	Very low	46.2	Very low	74 Å²	74	135.3 Å²	135.3	76%	0.763	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-47.7	144.7	-160	0	0	0	0	0	118.1	K58	G56-K58 PolarHBondContact O-N 3.35Å
57	K	34.6	Very low	43.5	Very low	192 Å²	192	142.9 Å²	142.9	84%	0.835	70%	0.695	S	S	*	*			trans	-47	111.7	179.9	-63.5	-178.4	175.3	-170.6	0	112.7
58	K	33	Very low	40.5	Very low	188 Å²	188	148.4 Å²	148.4	82%	0.817	71%	0.712	S	S	*	*			trans	-84.1	119.7	155.1	-79.3	-173	177.7	180	0	108.1	G56 I60	G56-K58 PolarHBondContact O-N 3.35Å; K58-I60 PolarHBondContact O-N 3.22Å
59	K	29.9	Very low	37.6	Very low	211 Å²	211	155.3 Å²	155.3	92%	0.917	74%	0.74	S	S	*	*			trans	-63.1	100.4	172.2	-76.5	180	176.2	176.6	0	108.8
60	I	33.7	Very low	35.4	Very low	148 Å²	148	161.2 Å²	161.2	76%	0.759	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-91.7	130.1	168.3	-63.1	175.1	0	0	0	107.8	K58	K58-I60 PolarHBondContact O-N 3.22Å
61	R	29	Very low	34.1	Very low	241 Å²	241	168.3 Å²	168.3	91%	0.909	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-73.3	138.1	177.6	-91.1	-178.2	168	180	-3.4	109.9
62	W	30.9	Very low	33.4	Very low	206 Å²	206	166.9 Å²	166.9	78%	0.78	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-74.4	126	-179.2	-67.4	81.9	0	0	0	111.2
63	D	31.4	Very low	33.2	Very low	143 Å²	143	167 Å²	167	77%	0.765	81%	0.805	S	S	*	*			trans	-108.8	133.5	152.8	-93.1	-34.7	0	0	0	109	V65	D63-V65 PolarHBondContact O-N 2.66Å
64	P	34.8	Very low	33.9	Very low	118 Å²	118	162.2 Å²	162.2	77%	0.766	79%	0.791	S	S	*	*			trans	-68.5	106.8	-178.3	26.2	-31.7	0	0	0	110	R66	P64-R66 PolarHBondContact O-N 3.21Å
65	V	36.1	Very low	33.6	Very low	136 Å²	136	163.1 Å²	163.1	82%	0.824	80%	0.795	S	S	*	*			trans	-58.7	113	172.6	178.2	0	0	0	0	108.6	D63 R67	D63-V65 PolarHBondContact O-N 2.66Å; V65-R67 PolarHBondContact O-N 2.74Å; V65-R67 VanDerWaalsContact O-N 3.12Å
66	R	33.2	Very low	34	Very low	231 Å²	231	163.2 Å²	163.2	87%	0.872	79%	0.787	S	S	*	*			trans	-56.1	116.6	171.1	-73.4	-175.6	179.9	-151.9	0.8	108.4	P64 R68	P64-R66 PolarHBondContact O-N 3.21Å; R66-R68 VanDerWaalsContact C-N 3.33Å; R66-R68 PolarHBondContact O-N 3.27Å
67	R	37.7	Very low	34	Very low	226 Å²	226	169.3 Å²	169.3	85%	0.853	79%	0.787	S	S	*	*			trans	-56.7	96.6	166.4	-74.4	-177.9	-178.8	-177.9	-0.4	108.2	V65 F69	V65-R67 PolarHBondContact O-N 2.74Å; V65-R67 VanDerWaalsContact O-N 3.12Å; R67-F69 PolarHBondContact O-N 3.03Å
68	R	31.6	Very low	34.6	Very low	227 Å²	227	163.5 Å²	163.5	86%	0.857	77%	0.765	S	S	*	*			trans	-70.3	109	162.7	-77.9	-173.4	176.1	-176.7	-0.6	106	R66 I70	R66-R68 VanDerWaalsContact C-N 3.33Å; R66-R68 PolarHBondContact O-N 3.27Å; R68-I70 PolarHBondContact O-N 2.67Å
69	F	31.1	Very low	34.7	Very low	199 Å²	199	157.3 Å²	157.3	87%	0.873	74%	0.744	S	S	*	*			trans	-60.7	90.6	165.6	-75.9	-92.1	0	0	0	107.8	R67 Q71	R67-F69 PolarHBondContact O-N 3.03Å; F69-Q71 PolarHBondContact O-N 3.24Å
70	I	34.7	Very low	35.1	Very low	142 Å²	142	153.3 Å²	153.3	73%	0.728	73%	0.733	S	S	*	*			trans	-79.2	113	165.7	-64.5	175.9	0	0	0	105.8	R68 S72	R68-I70 PolarHBondContact O-N 2.67Å; I70-S72 PolarHBondContact O-N 3.04Å
71	Q	31.8	Very low	35.3	Very low	183 Å²	183	156.2 Å²	156.2	86%	0.855	73%	0.734	S	S	*	*			trans	-52.2	136	169.9	-85.3	177.2	-25.9	0	0	110	F69 C73	F69-Q71 PolarHBondContact O-N 3.24Å; Q71-C73 PolarHBondContact O-N 3.28Å; Q71-C73 VanDerWaalsContact O-N 3.15Å
72	S	34.1	Very low	36	Very low	105 Å²	105	149 Å²	149	73%	0.734	71%	0.709	S	S	*	*			trans	-61	105.6	-175.5	48.4	0	0	0	0	112.9	I70	I70-S72 PolarHBondContact O-N 3.04Å
73	C	31.9	Very low	36.9	Very low	98 Å²	98	141.6 Å²	141.6	66%	0.662	69%	0.685	S	S	*	*			trans	-99.9	123.1	151.2	-92.5	0	0	0	0	108.2	Q71 I75	Q71-C73 PolarHBondContact O-N 3.28Å; Q71-C73 VanDerWaalsContact O-N 3.15Å; C73-I75 PolarHBondContact O-N 3.04Å
74	P	45.4	Very low	37.9	Very low	90 Å²	90	138.3 Å²	138.3	58%	0.584	66%	0.661	S	S	*	*	S	Bend	trans	-72.8	4.8	-175.7	-12.8	27.6	0	0	0	114.9	Y149	P74-Y149 HydrophobicContact CB-CE1 4.17Å
75	I	34.2	Very low	38.7	Very low	148 Å²	148	135 Å²	135	76%	0.759	65%	0.649	S	S	*	*			trans	-122.6	65.1	-173.6	-45.9	176.2	0	0	0	109	C73	C73-I75 PolarHBondContact O-N 3.04Å
76	I	39.6	Very low	40.2	Very low	121 Å²	121	135.6 Å²	135.6	62%	0.621	64%	0.643	S	S	*	*			trans	-92	102.5	162.4	-59	177.3	0	0	0	105.5	I78	I76-I78 PolarHBondContact O-N 3.36Å
77	R	35.5	Very low	42.7	Very low	202 Å²	202	132.9 Å²	132.9	76%	0.762	63%	0.632	S	S	*	*			trans	-62.2	123	161.2	-80.9	-177	172.1	-178.1	-1.5	106.4	P79	R77-P79 WeakPolarHBondContact O-CD 3.25Å; R77-P79 VanDerWaalsContact O-N 3.11Å
78	I	46.6	Very low	45.3	Very low	71 Å²	71	123.9 Å²	123.9	36%	0.364	60%	0.603	S	S	.	*			trans	-60.6	113.2	161.8	-59.1	172.7	0	0	0	105.4	I76 N80 F82	I76-I78 PolarHBondContact O-N 3.36Å; I78-N80 PolarHBondContact O-N 3.34Å; I78-F82 HydrophobicContact CG2-CB 4.36Å
79	P	35.8	Very low	48.4	Very low	57 Å²	57	113.3 Å²	113.3	37%	0.37	56%	0.564	S	S	.	*			trans	-61.4	132.3	-178.1	-22	33.9	0	0	0	109.4	R77 R81 F82	R77-P79 WeakPolarHBondContact O-CD 3.25Å; R77-P79 VanDerWaalsContact O-N 3.11Å; P79-R81 HydrophobicContact CB-CG 4.1Å; P79-R81 PolarHBondContact O-N 3Å; P79-F82 HydrophobicContact CB-CD2 3.79Å; P79-F82 HydrophobicContact CB-CE2 4.03Å; P79-F82 HydrophobicContact CG-CD2 3.86Å; P79-F82 HydrophobicContact CG-CE2 3.84Å; P79-F82 PolarHBondContact O-N 3.19Å
80	N	39.1	Very low	51.4	Low	128 Å²	128	104.5 Å²	104.5	68%	0.684	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-50.6	-24	-177.4	-80.4	-19.1	0	0	0	114.1	I78 F82 L83	I78-N80 PolarHBondContact O-N 3.34Å; N80-F82 PolarHBondContact O-N 3.21Å; N80-L83 HydrophobicContact CB-CD1 4.29Å; N80-L83 WeakPolarHBondContact O-CB 3.12Å; N80-L83 WeakPolarHBondContact O-CG 3.35Å; N80-L83 PolarHBondContact O-N 3.26Å
81	R	36.6	Very low	54.3	Low	209 Å²	209	98.5 Å²	98.5	79%	0.789	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-65.8	-18	176.1	70.1	178.8	-177.1	-170.7	-0.7	114.7	P79	P79-R81 HydrophobicContact CB-CG 4.1Å; P79-R81 PolarHBondContact O-N 3Å
82	F	44.3	Very low	57.5	Low	88 Å²	88	89.8 Å²	89.8	39%	0.386	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-94.5	-2.7	176.3	-64.2	-78.4	0	0	0	113	I78 P79 N80 R84	I78-F82 HydrophobicContact CG2-CB 4.36Å; P79-F82 HydrophobicContact CB-CD2 3.79Å; P79-F82 HydrophobicContact CB-CE2 4.03Å; P79-F82 HydrophobicContact CG-CD2 3.86Å; P79-F82 HydrophobicContact CG-CE2 3.84Å; P79-F82 PolarHBondContact O-N 3.19Å; N80-F82 PolarHBondContact O-N 3.21Å; F82-R84 PolarHBondContact O-N 3.08Å; F82-R84 VanDerWaalsContact O-N 3.08Å
83	L	49.7	Very low	60.6	Low	51 Å²	51	85.1 Å²	85.1	27%	0.267	43%	0.425	S	S	.	.	S	Bend	trans	-65.1	114.1	171.9	-63.6	174.5	0	0	0	107.8	N80 G85 Q143	N80-L83 HydrophobicContact CB-CD1 4.29Å; N80-L83 WeakPolarHBondContact O-CB 3.12Å; N80-L83 WeakPolarHBondContact O-CG 3.35Å; N80-L83 PolarHBondContact O-N 3.26Å; L83-G85 PolarHBondContact O-N 3.2Å; L83-Q143 HydrophobicContact CD2-CB 4.24Å; L83-Q143 HydrophobicContact CD2-CG 4.26Å
84	R	53.3	Low	63.7	Low	74 Å²	74	80.9 Å²	80.9	28%	0.279	40%	0.397	S	S	.	.			trans	-57.3	126.5	168.8	-67.9	-178.9	179.3	-134.6	-10.3	105.7	F82 D121 W132 Q143	F82-R84 PolarHBondContact O-N 3.08Å; F82-R84 VanDerWaalsContact O-N 3.08Å; R84-D121 IonicContact NH2-OD2 2.72Å; R84-W132 HydrophobicContact CB-CH2 3.83Å; R84-Q143 VanDerWaalsContact N-OE1 3.07Å
85	G	50.7	Low	66.3	Low	49 Å²	49	76.7 Å²	76.7	51%	0.505	37%	0.37	S	S	.	.			trans	-59.7	-144.2	178.2	0	0	0	0	0	112.7	L83 R87	L83-G85 PolarHBondContact O-N 3.2Å; G85-R87 PolarHBondContact O-N 2.89Å
86	H	68.2	Low	69.3	Low	149 Å²	149	71.7 Å²	71.7	69%	0.69	34%	0.342	S	S	*	.	S	Bend	trans	-66.2	33.8	-179.2	-59.5	-59.5	0	0	0	115.6	V140 H142	H86-V140 HydrophobicContact CB-CG1 4.06Å; H86-V140 WeakPolarHBondContact ND1-CG1 3.37Å; H86-H142 AromaticContact CE1-NE2 3.51Å; H86-H142 AromaticContact ND1-NE2 3.59Å
87	R	85.6	Confident	72.1	Confident	174 Å²	174	66.1 Å²	66.1	66%	0.657	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-93.7	147.8	177	-65.6	-175.2	-179.3	-178.5	1.1	110.2	G85 W132 W141	G85-R87 PolarHBondContact O-N 2.89Å; R87-W132 WeakPolarHBondContact O-CZ3 3.37Å; R87-W141 WeakPolarHBondContact O-CB 3.14Å
88	P	92.5	Very high	75.2	Confident	36 Å²	36	57.5 Å²	57.5	23%	0.234	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-67.5	159.3	172.7	29.2	-34.8	0	0	0	112	W141	P88-W141 HydrophobicContact CB-CG 4.23Å
89	P	95.1	Very high	77.6	Confident	6 Å²	6	54.8 Å²	54.8	4%	0.039	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-56.5	145.5	171.5	22.1	-33.5	0	0	0	112	W132 W141 H380	P89-W132 HydrophobicContact CB-CD2 3.85Å; P89-W132 HydrophobicContact CB-CE3 4.44Å; P89-W132 HydrophobicContact CB-CG 3.97Å; P89-W132 HydrophobicContact CB-CZ2 4.32Å; P89-W132 HydrophobicContact CG-CD2 4.46Å; P89-W132 HydrophobicContact CG-CG 4.49Å; P89-W141 HydrophobicContact CG-CD2 4.21Å; P89-W141 HydrophobicContact CG-CE3 4.13Å; P89-W141 HydrophobicContact CG-CH2 4.09Å; P89-W141 HydrophobicContact CG-CZ2 4.13Å; P89-W141 HydrophobicContact CG-CZ3 4.08Å; P89-H380 VanDerWaalsContact CG-NE2 3.35Å; P89-H380 WeakPolarHBondContact CG-NE2 3.46Å
90	P	94.8	Very high	80.5	Confident	13 Å²	13	53.6 Å²	53.6	8%	0.084	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-48.8	152	167.2	-31.8	32.9	0	0	0	114.2	R92 F128	P90-R92 PolarHBondContact O-N 3.31Å; P90-R92 PolarHBondContact O-NE 3.3Å; P90-R92 PolarHBondContact O-NH2 2.96Å; P90-F128 HydrophobicContact CB-CE1 3.7Å; P90-F128 HydrophobicContact CB-CZ 3.76Å; P90-F128 HydrophobicContact CG-CE1 4.04Å
91	A	96.7	Very high	83.2	Confident	17 Å²	17	51.4 Å²	51.4	14%	0.14	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-57.1	133.5	172.1	0	0	0	0	0	110.4	N111 R391 T392	A91-N111 WeakPolarHBondContact O-CB 3.26Å; A91-N111 PolarHBondContact O-ND2 3.27Å; A91-R391 HydrophobicContact CB-CB 4.08Å; A91-T392 VanDerWaalsContact CA-C 3.5Å; A91-T392 VanDerWaalsContact CA-O 3.3Å; A91-T392 WeakPolarHBondContact CA-O 3.27Å; A91-T392 VanDerWaalsContact CB-C 3.46Å
92	R	98	Very high	86	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.219	C	C	.	.			trans	-157.1	156.4	-169.8	66.1	-176	72	-146.1	-9.1	112.6	P90 H95 G108 F128 E130 G382 T392	P90-R92 PolarHBondContact O-N 3.31Å; P90-R92 PolarHBondContact O-NE 3.3Å; P90-R92 PolarHBondContact O-NH2 2.96Å; R92-H95 HydrophobicContact CG-CB 4.29Å; R92-H95 WeakPolarHBondContact CG-ND1 3.44Å; R92-G108 PolarHBondContact NH1-O 3.39Å; R92-G108 VanDerWaalsContact NH1-O 3.07Å; R92-F128 HydrophobicContact CB-CD2 3.75Å; R92-F128 HydrophobicContact CB-CE2 3.45Å; R92-F128 VanDerWaalsContact CB-CE2 3.45Å; R92-F128 HydrophobicContact CB-CZ 4.44Å; R92-E130 IonicContact CZ-OE1 2.85Å; R92-E130 IonicContact NH1-OE1 2.63Å; R92-E130 PolarHBondContact NH1-OE1 3.07Å; R92-E130 IonicContact NH2-OE1 3.15Å; R92-E130 PolarHBondContact NH2-OE1 3.42Å; R92-G382 PolarHBondContact O-N 2.88Å; R92-T392 PolarHBondContact N-O 3.16Å; R92-T392 VanDerWaalsContact N-O 3.09Å
93	S	98.4	Very high	88.6	Confident	7 Å²	7	38.8 Å²	38.8	5%	0.049	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-131.5	157.7	171.4	61.3	0	0	0	0	111.3	H95 G109 Y110 F366 R391	S93-H95 PolarHBondContact O-N 3.28Å; S93-G109 WeakPolarHBondContact O-CA 3.31Å; S93-Y110 PolarHBondContact N-O 3.46Å; S93-Y110 PolarHBondContact O-N 2.98Å; S93-Y110 PolarHBondContact OG-O 3.16Å; S93-F366 CarbonylContact C-O 3.49Å; S93-F366 WeakPolarHBondContact CA-O 3.5Å; S93-R391 PolarHBondContact OG-NE 3.4Å
94	G	98.1	Very high	90.9	Very high	8 Å²	8	36.3 Å²	36.3	8%	0.082	19%	0.19	C	C	.	.	S	Bend	trans	72.2	8.1	174.9	0	0	0	0	0	113.9	S156 M157 F366	G94-S156 WeakPolarHBondContact O-CA 3.38Å; G94-S156 PolarHBondContact O-N 3Å; G94-M157 WeakPolarHBondContact O-CE 3.45Å; G94-F366 PolarHBondContact N-O 3.45Å
95	H	98.7	Very high	93.1	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.009	18%	0.179	C	C	.	.			trans	-74.7	170.9	170.9	66.4	-74.5	0	0	0	110.6	R92 S93 F107 G108 H380	R92-H95 HydrophobicContact CG-CB 4.29Å; R92-H95 WeakPolarHBondContact CG-ND1 3.44Å; S93-H95 PolarHBondContact O-N 3.28Å; H95-F107 WeakPolarHBondContact CB-O 3.06Å; H95-G108 VanDerWaalsContact CB-O 3.26Å; H95-G108 WeakPolarHBondContact CB-O 3.37Å; H95-H380 AromaticContact CD2-ND1 3.65Å; H95-H380 AromaticContact CE1-ND1 3.6Å; H95-H380 PolarHBondContact CE1-O 2.93Å; H95-H380 AromaticContact NE2-CE1 3.89Å; H95-H380 AromaticContact NE2-CG 3.81Å; H95-H380 AromaticContact NE2-ND1 2.91Å; H95-H380 PolarHBondContact NE2-ND1 2.98Å; H95-H380 PolarHBondContact NE2-O 2.86Å; H95-H380 VanDerWaalsContact NE2-O 3.13Å
96	R	98.7	Very high	95.4	Very high	44 Å²	44	31 Å²	31	17%	0.166	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	160.8	171.5	-65.8	-58.7	-61.7	-96.1	7.7	111.7	V106 F107 M157 L159	R96-V106 WeakPolarHBondContact O-CA 3.15Å; R96-F107 PolarHBondContact N-O 2.83Å; R96-F107 PolarHBondContact O-N 2.84Å; R96-M157 HydrophobicContact CB-CE 4.43Å; R96-M157 HydrophobicContact CG-CE 3.86Å; R96-M157 WeakPolarHBondContact CG-O 3.34Å; R96-L159 HydrophobicContact CB-CB 3.57Å; R96-L159 HydrophobicContact CB-CD1 4.31Å; R96-L159 HydrophobicContact CB-CG 4.5Å; R96-L159 HydrophobicContact CG-CB 4.12Å
97	C	98.7	Very high	96.8	Very high	4 Å²	4	24 Å²	24	3%	0.027	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	146.9	-174.1	69.4	0	0	0	0	109.8	L104 Y105 V106 C368	C97-L104 HydrophobicContact CB-CD1 4.1Å; C97-Y105 CarbonylContact C-O 3.54Å; C97-Y105 WeakPolarHBondContact CA-O 3.4Å; C97-Y105 VanDerWaalsContact CB-O 3.31Å; C97-Y105 WeakPolarHBondContact CB-O 3.45Å; C97-V106 HydrophobicContact CB-CG2 3.94Å; C97-C368 WeakPolarHBondContact CA-SG 3.44Å; C97-C368 HydrophobicContact CB-CB 3.93Å; C97-C368 WeakPolarHBondContact CB-SG 3.37Å; C97-C368 PolarHBondContact N-SG 2.73Å; C97-C368 PolarHBondContact O-SG 3.06Å; C97-C368 VanDerWaalsContact O-SG 3.42Å; C97-C368 WeakPolarHBondContact SG-CB 3.25Å; C97-C368 CovalentContact SG-SG 2.06Å; C97-C368 PolarHBondContact SG-SG 3.14Å
98	V	98.8	Very high	97.4	Very high	20 Å²	20	15.7 Å²	15.7	12%	0.121	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	154.6	176.4	-75.1	0	0	0	0	108.5	Y105 L159 L161 L166	V98-Y105 HydrophobicContact CG2-CD2 4.31Å; V98-Y105 PolarHBondContact N-O 3.48Å; V98-Y105 VanDerWaalsContact N-O 3.1Å; V98-Y105 PolarHBondContact O-N 3.32Å; V98-L159 HydrophobicContact CB-CD2 3.96Å; V98-L159 HydrophobicContact CG1-CD2 3.37Å; V98-L159 HydrophobicContact CG2-CD2 3.34Å; V98-L161 HydrophobicContact CB-CB 4.05Å; V98-L161 HydrophobicContact CG1-CB 4.34Å; V98-L161 HydrophobicContact CG2-CB 3.96Å; V98-L166 HydrophobicContact CG2-CD2 3.48Å; V98-L166 VanDerWaalsContact CG2-CD2 3.48Å
99	A	98.5	Very high	97.7	Very high	15 Å²	15	14 Å²	14	12%	0.124	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.4	-179.5	0	0	0	0	0	111	N103 L104 F136 A370 T372	A99-N103 WeakPolarHBondContact CA-O 3.4Å; A99-L104 HydrophobicContact CB-CD1 4.38Å; A99-F136 HydrophobicContact CB-CE2 4.5Å; A99-F136 HydrophobicContact CB-CZ 3.99Å; A99-A370 HydrophobicContact CB-CB 4.1Å; A99-T372 HydrophobicContact CB-CG2 4.18Å
100	D	97.1	Very high	97.8	Very high	32 Å²	32	15 Å²	15	17%	0.171	8%	0.083	C	C	.	.			trans	-102.8	-158.2	159.6	63	33.6	0	0	0	109.4	T102 N103 Y105 F136 L161	D100-T102 VanDerWaalsContact C-N 3.31Å; D100-T102 WeakPolarHBondContact OD1-CA 3.41Å; D100-T102 WeakPolarHBondContact OD1-CB 3.49Å; D100-T102 PolarHBondContact OD1-N 3.32Å; D100-N103 PolarHBondContact N-O 3.41Å; D100-N103 PolarHBondContact OD1-N 3.34Å; D100-Y105 WeakPolarHBondContact OD2-CE2 3.41Å; D100-Y105 PolarHBondContact OD2-OH 3.06Å; D100-F136 WeakPolarHBondContact O-CE2 3.33Å; D100-L161 HydrophobicContact CB-CD2 3.92Å
101	N	94.9	Very high	98	Very high	82 Å²	82	14.3 Å²	14.3	44%	0.439	8%	0.079	S	C	.	.	S	Bend	trans	-79.2	-11.6	177.5	-74.7	-42.3	0	0	0	114.3	P373 R440	N101-P373 WeakPolarHBondContact OD1-CB 3.29Å; N101-P373 VanDerWaalsContact OD1-CD 3.28Å; N101-P373 WeakPolarHBondContact OD1-CD 3.47Å; N101-P373 WeakPolarHBondContact OD1-CG 3.43Å; N101-R440 HydrophobicContact CB-CG 4.49Å
102	T	96.3	Very high	98	Very high	21 Å²	21	15 Å²	15	13%	0.129	8%	0.082	C	C	.	.	S	Bend	trans	-119.7	-38.6	-168.2	-55.5	0	0	0	0	111.6	D100 F136	D100-T102 VanDerWaalsContact C-N 3.31Å; D100-T102 WeakPolarHBondContact OD1-CA 3.41Å; D100-T102 WeakPolarHBondContact OD1-CB 3.49Å; D100-T102 PolarHBondContact OD1-N 3.32Å; T102-F136 WeakPolarHBondContact O-CD2 3.45Å; T102-F136 PolarHBondContact O-N 2.83Å
103	N	97.7	Very high	97.9	Very high	10 Å²	10	17.4 Å²	17.4	5%	0.053	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.7	-170.6	-57.2	-78.9	0	0	0	112.7	A99 D100 Y105 R133 Y134 H135	A99-N103 WeakPolarHBondContact CA-O 3.4Å; D100-N103 PolarHBondContact N-O 3.41Å; D100-N103 PolarHBondContact OD1-N 3.34Å; N103-Y105 HydrophobicContact CB-CE1 4.14Å; N103-Y105 HydrophobicContact CB-CE2 3.97Å; N103-Y105 PolarHBondContact ND2-OH 2.99Å; N103-R133 HydrophobicContact CB-CB 4.43Å; N103-Y134 VanDerWaalsContact CA-O 3.27Å; N103-Y134 WeakPolarHBondContact CA-O 3.43Å; N103-H135 PolarHBondContact OD1-CD2 3.1Å
104	L	98.5	Very high	97.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.2	155	172	76.8	0	0	0	108	C97 A99 V106 R133 Y134 F136 W141 A370 L395	C97-L104 HydrophobicContact CB-CD1 4.1Å; A99-L104 HydrophobicContact CB-CD1 4.38Å; L104-V106 HydrophobicContact CD2-CG2 4.24Å; L104-V106 HydrophobicContact CG-CG2 4.31Å; L104-R133 CarbonylContact O-C 3.57Å; L104-R133 VanDerWaalsContact O-CA 3.24Å; L104-R133 WeakPolarHBondContact O-CA 3.18Å; L104-Y134 PolarHBondContact N-O 2.65Å; L104-Y134 PolarHBondContact O-N 2.85Å; L104-F136 HydrophobicContact CB-CE1 3.7Å; L104-F136 HydrophobicContact CB-CZ 3.81Å; L104-F136 VanDerWaalsContact N-CZ 3.26Å; L104-W141 HydrophobicContact CD2-CH2 3.97Å; L104-A370 HydrophobicContact CD1-CB 3.65Å; L104-L395 HydrophobicContact CD2-CD1 3.53Å; L104-L395 HydrophobicContact CD2-CD2 4.44Å
105	Y	98.7	Very high	97.5	Very high	12 Å²	12	25.9 Å²	25.9	5%	0.047	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.5	170.6	-55.6	-83.3	0	0	0	109.8	C97 V98 D100 N103 W132 R133 M144 L166 V189	C97-Y105 CarbonylContact C-O 3.54Å; C97-Y105 WeakPolarHBondContact CA-O 3.4Å; C97-Y105 VanDerWaalsContact CB-O 3.31Å; C97-Y105 WeakPolarHBondContact CB-O 3.45Å; V98-Y105 HydrophobicContact CG2-CD2 4.31Å; V98-Y105 PolarHBondContact N-O 3.48Å; V98-Y105 VanDerWaalsContact N-O 3.1Å; V98-Y105 PolarHBondContact O-N 3.32Å; D100-Y105 WeakPolarHBondContact OD2-CE2 3.41Å; D100-Y105 PolarHBondContact OD2-OH 3.06Å; N103-Y105 HydrophobicContact CB-CE1 4.14Å; N103-Y105 HydrophobicContact CB-CE2 3.97Å; N103-Y105 PolarHBondContact ND2-OH 2.99Å; Y105-W132 CarbonylContact C-O 3.54Å; Y105-W132 VanDerWaalsContact CA-O 3.25Å; Y105-W132 WeakPolarHBondContact CA-O 3.36Å; Y105-R133 HydrophobicContact CD1-CB 3.97Å; Y105-R133 HydrophobicContact CE1-CB 4.07Å; Y105-M144 HydrophobicContact CD1-SD 3.98Å; Y105-M144 HydrophobicContact CE1-SD 4Å; Y105-L166 HydrophobicContact CD2-CD2 4.31Å; Y105-L166 HydrophobicContact CG-CD2 4.38Å; Y105-V189 HydrophobicContact CD1-CG1 4.2Å; Y105-V189 HydrophobicContact CE1-CB 3.97Å; Y105-V189 HydrophobicContact CE1-CG1 3.89Å; Y105-V189 HydrophobicContact CE1-CG2 4.38Å
106	V	98.6	Very high	97.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	126	175.7	167.4	0	0	0	0	108.6	R96 C97 L104 W132 W141 H380	R96-V106 WeakPolarHBondContact O-CA 3.15Å; C97-V106 HydrophobicContact CB-CG2 3.94Å; L104-V106 HydrophobicContact CD2-CG2 4.24Å; L104-V106 HydrophobicContact CG-CG2 4.31Å; V106-W132 HydrophobicContact CB-CB 4.22Å; V106-W132 PolarHBondContact N-O 3.41Å; V106-W132 PolarHBondContact O-N 2.85Å; V106-W141 HydrophobicContact CB-CH2 4.41Å; V106-W141 HydrophobicContact CB-CZ3 4.26Å; V106-W141 HydrophobicContact CG2-CH2 3.71Å; V106-W141 HydrophobicContact CG2-CZ3 3.99Å; V106-H380 HydrophobicContact CG2-CB 4.43Å
107	F	98.7	Very high	97	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138	-174.8	-177.4	-109.5	0	0	0	112.2	H95 R96 E130 L131 M150 P151 L154 L159 V168 W194	H95-F107 WeakPolarHBondContact CB-O 3.06Å; R96-F107 PolarHBondContact N-O 2.83Å; R96-F107 PolarHBondContact O-N 2.84Å; F107-E130 VanDerWaalsContact CD2-O 3.28Å; F107-E130 WeakPolarHBondContact CD2-O 3.21Å; F107-L131 HydrophobicContact CB-CD1 4.06Å; F107-L131 HydrophobicContact CD2-CB 4.13Å; F107-L131 HydrophobicContact CD2-CD1 4.22Å; F107-M150 HydrophobicContact CE2-CE 4.38Å; F107-M150 HydrophobicContact CE2-CG 3.92Å; F107-M150 HydrophobicContact CE2-SD 3.83Å; F107-M150 HydrophobicContact CZ-CG 3.86Å; F107-M150 HydrophobicContact CZ-SD 4.26Å; F107-P151 HydrophobicContact CE1-CG 3.71Å; F107-P151 HydrophobicContact CZ-CG 3.63Å; F107-L154 HydrophobicContact CE1-CD2 3.83Å; F107-L154 HydrophobicContact CE2-CD2 4.24Å; F107-L154 HydrophobicContact CZ-CD2 3.48Å; F107-L154 VanDerWaalsContact CZ-CD2 3.48Å; F107-L159 HydrophobicContact CB-CD1 3.66Å; F107-L159 HydrophobicContact CD1-CD1 4.07Å; F107-L159 HydrophobicContact CG-CD1 4.19Å; F107-V168 HydrophobicContact CD1-CG2 4.01Å; F107-V168 HydrophobicContact CE1-CG1 4.16Å; F107-V168 HydrophobicContact CE1-CG2 4.09Å; F107-W194 HydrophobicContact CD1-CH2 4.2Å; F107-W194 AromaticContact CD2-CH2 3.93Å; F107-W194 HydrophobicContact CD2-CH2 3.93Å; F107-W194 AromaticContact CD2-CZ2 3.75Å; F107-W194 HydrophobicContact CD2-CZ2 3.75Å; F107-W194 AromaticContact CE1-CH2 3.92Å; F107-W194 HydrophobicContact CE1-CH2 3.92Å; F107-W194 AromaticContact CE2-CH2 3.64Å; F107-W194 HydrophobicContact CE2-CH2 3.64Å; F107-W194 AromaticContact CE2-CZ2 3.43Å; F107-W194 HydrophobicContact CE2-CZ2 3.43Å; F107-W194 VanDerWaalsContact CE2-CZ2 3.43Å; F107-W194 HydrophobicContact CG-CH2 4.2Å; F107-W194 HydrophobicContact CG-CZ2 4.44Å; F107-W194 AromaticContact CZ-CH2 3.64Å; F107-W194 HydrophobicContact CZ-CH2 3.64Å; F107-W194 AromaticContact CZ-CZ2 3.88Å; F107-W194 HydrophobicContact CZ-CZ2 3.88Å; F107-W194 HydrophobicContact CZ-CZ3 4.36Å
108	G	98.4	Very high	96.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.			trans	75.4	-159.8	173.7	0	0	0	0	0	113.5	R92 H95 F128 E130	R92-G108 PolarHBondContact NH1-O 3.39Å; R92-G108 VanDerWaalsContact NH1-O 3.07Å; H95-G108 VanDerWaalsContact CB-O 3.26Å; H95-G108 WeakPolarHBondContact CB-O 3.37Å; G108-F128 VanDerWaalsContact CA-O 3.23Å; G108-F128 WeakPolarHBondContact CA-O 3.35Å; G108-E130 PolarHBondContact N-O 3.17Å
109	G	98.4	Very high	96.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.			trans	116.4	-178.9	176.6	0	0	0	0	0	113.5	S93 L127 F128 L154	S93-G109 WeakPolarHBondContact O-CA 3.31Å; G109-L127 WeakPolarHBondContact O-CA 3.22Å; G109-F128 PolarHBondContact O-N 3.21Å; G109-L154 WeakPolarHBondContact CA-O 3.5Å; G109-L154 PolarHBondContact N-O 3.25Å
110	Y	97.9	Very high	95.9	Very high	26 Å²	26	30.5 Å²	30.5	10%	0.102	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-143.9	139.5	-176.5	166.4	-99.3	0	0	0	110.7	S93 P112 P126 L127 I174 F176 R391	S93-Y110 PolarHBondContact N-O 3.46Å; S93-Y110 PolarHBondContact O-N 2.98Å; S93-Y110 PolarHBondContact OG-O 3.16Å; Y110-P112 HydrophobicContact CE1-CB 4.19Å; Y110-P112 VanDerWaalsContact CE1-CD 3.43Å; Y110-P112 HydrophobicContact CE1-CG 3.77Å; Y110-P112 WeakPolarHBondContact OH-CB 3.2Å; Y110-P126 WeakPolarHBondContact CA-O 3.42Å; Y110-P126 HydrophobicContact CD2-CB 3.95Å; Y110-P126 HydrophobicContact CD2-CG 3.88Å; Y110-P126 VanDerWaalsContact CD2-O 3.28Å; Y110-P126 WeakPolarHBondContact CD2-O 3.38Å; Y110-P126 HydrophobicContact CE2-CB 3.68Å; Y110-P126 HydrophobicContact CE2-CG 3.48Å; Y110-P126 VanDerWaalsContact CE2-CG 3.48Å; Y110-L127 HydrophobicContact CD2-CD2 4.11Å; Y110-I174 HydrophobicContact CD2-CD1 3.79Å; Y110-I174 HydrophobicContact CD2-CG1 4.39Å; Y110-I174 HydrophobicContact CE2-CD1 3.51Å; Y110-I174 HydrophobicContact CE2-CG1 4.29Å; Y110-F176 AromaticContact CD1-CZ 3.91Å; Y110-F176 HydrophobicContact CD1-CZ 3.91Å; Y110-F176 HydrophobicContact CD2-CE1 4.38Å; Y110-F176 AromaticContact CD2-CZ 3.85Å; Y110-F176 HydrophobicContact CD2-CZ 3.85Å; Y110-F176 HydrophobicContact CE1-CE2 4.21Å; Y110-F176 AromaticContact CE1-CZ 3.92Å; Y110-F176 HydrophobicContact CE1-CZ 3.92Å; Y110-F176 HydrophobicContact CE2-CE2 4.46Å; Y110-F176 AromaticContact CE2-CZ 3.87Å; Y110-F176 HydrophobicContact CE2-CZ 3.87Å; Y110-F176 AromaticContact CG-CZ 3.84Å; Y110-F176 HydrophobicContact CG-CZ 3.84Å; Y110-F176 AromaticContact CZ-CZ 3.89Å; Y110-R391 WeakPolarHBondContact O-CD 3.32Å; Y110-R391 PolarHBondContact O-NE 3.19Å
111	N	98	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.			trans	-143.6	119.3	164.5	-168.3	-14.7	0	0	0	110.3	A91 D113 E116 P126 F128	A91-N111 WeakPolarHBondContact O-CB 3.26Å; A91-N111 PolarHBondContact O-ND2 3.27Å; N111-D113 VanDerWaalsContact C-N 3.31Å; N111-D113 PolarHBondContact OD1-N 3.49Å; N111-E116 WeakPolarHBondContact ND2-CB 3.45Å; N111-E116 PolarHBondContact ND2-OE2 3.39Å; N111-P126 PolarHBondContact N-O 3.11Å; N111-P126 WeakPolarHBondContact O-CB 3.34Å; N111-F128 HydrophobicContact CB-CE2 3.67Å; N111-F128 HydrophobicContact CB-CZ 3.66Å
112	P	96.1	Very high	95.5	Very high	30 Å²	30	31.3 Å²	31.3	20%	0.195	17%	0.168	C	C	.	.			trans	-78	-11.6	178.9	25	-24	0	0	0	114.4	Y110 Y114 Y125 N389	Y110-P112 HydrophobicContact CE1-CB 4.19Å; Y110-P112 VanDerWaalsContact CE1-CD 3.43Å; Y110-P112 HydrophobicContact CE1-CG 3.77Å; Y110-P112 WeakPolarHBondContact OH-CB 3.2Å; P112-Y114 PolarHBondContact O-N 3.4Å; P112-Y125 PolarHBondContact O-OH 3Å; P112-N389 WeakPolarHBondContact CG-ND2 3.19Å
113	D	96.5	Very high	95.4	Very high	52 Å²	52	37.7 Å²	37.7	28%	0.278	20%	0.197	S	C	.	.			trans	-79.1	113.7	173.3	-174.6	-60.7	0	0	0	108.3	N111 D115 E116 S117	N111-D113 VanDerWaalsContact C-N 3.31Å; N111-D113 PolarHBondContact OD1-N 3.49Å; D113-D115 VanDerWaalsContact C-N 3.34Å; D113-D115 PolarHBondContact O-N 3.47Å; D113-D115 PolarHBondContact OD1-N 2.9Å; D113-D115 VanDerWaalsContact OD1-N 3.1Å; D113-E116 HydrophobicContact CB-CB 3.97Å; D113-E116 HydrophobicContact CB-CG 4.13Å; D113-E116 PolarHBondContact O-N 3.31Å; D113-E116 PolarHBondContact OD1-N 2.87Å; D113-S117 WeakPolarHBondContact O-CB 3.22Å; D113-S117 PolarHBondContact O-N 3.24Å; D113-S117 PolarHBondContact O-OG 3.1Å
114	Y	94.9	Very high	95.2	Very high	84 Å²	84	40 Å²	40	33%	0.329	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-47.2	-175.6	-178	-108.2	0	0	0	111.6	P112 S117 G118 G119 P120 Y125	P112-Y114 PolarHBondContact O-N 3.4Å; Y114-S117 PolarHBondContact O-N 2.8Å; Y114-S117 PolarHBondContact O-OG 3.36Å; Y114-G118 PolarHBondContact O-N 3.13Å; Y114-G119 WeakPolarHBondContact O-CA 3.36Å; Y114-G119 PolarHBondContact O-N 3.05Å; Y114-P120 VanDerWaalsContact OH-CA 3.31Å; Y114-P120 WeakPolarHBondContact OH-CA 3.11Å; Y114-Y125 HydrophobicContact CD2-CD1 4.12Å; Y114-Y125 AromaticContact CD2-CD2 3.91Å; Y114-Y125 HydrophobicContact CD2-CD2 3.91Å; Y114-Y125 HydrophobicContact CD2-CE1 4.16Å; Y114-Y125 AromaticContact CD2-CE2 3.97Å; Y114-Y125 HydrophobicContact CD2-CE2 3.97Å; Y114-Y125 AromaticContact CD2-CG 3.99Å; Y114-Y125 HydrophobicContact CD2-CG 3.99Å; Y114-Y125 HydrophobicContact CE2-CG 4.42Å
115	D	94.4	Very high	95.1	Very high	109 Å²	109	44 Å²	44	58%	0.583	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-45.4	-177.5	-64	-30.9	0	0	0	111.3	D113 S117 G118	D113-D115 VanDerWaalsContact C-N 3.34Å; D113-D115 PolarHBondContact O-N 3.47Å; D113-D115 PolarHBondContact OD1-N 2.9Å; D113-D115 VanDerWaalsContact OD1-N 3.1Å; D115-S117 PolarHBondContact O-N 3.43Å; D115-G118 PolarHBondContact O-N 2.9Å
116	E	92.8	Very high	95	Very high	63 Å²	63	44.4 Å²	44.4	29%	0.294	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.7	177.3	-66.2	-170.8	176.5	0	0	112.6	N111 D113 G118	N111-E116 WeakPolarHBondContact ND2-CB 3.45Å; N111-E116 PolarHBondContact ND2-OE2 3.39Å; D113-E116 HydrophobicContact CB-CB 3.97Å; D113-E116 HydrophobicContact CB-CG 4.13Å; D113-E116 PolarHBondContact O-N 3.31Å; D113-E116 PolarHBondContact OD1-N 2.87Å; E116-G118 PolarHBondContact O-N 2.69Å
117	S	92.8	Very high	95	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.007	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-0.9	174.9	78.4	0	0	0	0	113.9	D113 Y114 D115 N122 Y125 F128	D113-S117 WeakPolarHBondContact O-CB 3.22Å; D113-S117 PolarHBondContact O-N 3.24Å; D113-S117 PolarHBondContact O-OG 3.1Å; Y114-S117 PolarHBondContact O-N 2.8Å; Y114-S117 PolarHBondContact O-OG 3.36Å; D115-S117 PolarHBondContact O-N 3.43Å; S117-N122 WeakPolarHBondContact O-CB 3.27Å; S117-N122 PolarHBondContact O-ND2 3.37Å; S117-Y125 WeakPolarHBondContact OG-CD2 3.46Å; S117-F128 WeakPolarHBondContact O-CE1 3.38Å
118	G	88.9	Confident	94.9	Very high	10 Å²	10	45.2 Å²	45.2	10%	0.103	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	102	2.6	-179.5	0	0	0	0	0	114.9	Y114 D115 E116 D121	Y114-G118 PolarHBondContact O-N 3.13Å; D115-G118 PolarHBondContact O-N 2.9Å; E116-G118 PolarHBondContact O-N 2.69Å; G118-D121 PolarHBondContact O-N 2.8Å
119	G	91.8	Very high	94.9	Very high	3 Å²	3	48 Å²	48	3%	0.031	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	55.2	-127.6	175.8	0	0	0	0	0	112.1	Y114 D121 N122	Y114-G119 WeakPolarHBondContact O-CA 3.36Å; Y114-G119 PolarHBondContact O-N 3.05Å; G119-D121 PolarHBondContact O-N 3.22Å; G119-N122 PolarHBondContact O-N 3.49Å
120	P	92.1	Very high	94.8	Very high	105 Å²	105	48.9 Å²	48.9	68%	0.682	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-66.1	-20	-175.4	27.7	-35.4	0	0	0	114	Y114 N122	Y114-P120 VanDerWaalsContact OH-CA 3.31Å; Y114-P120 WeakPolarHBondContact OH-CA 3.11Å; P120-N122 VanDerWaalsContact C-N 3.29Å; P120-N122 PolarHBondContact O-N 3.19Å
121	D	89.7	Confident	94.8	Very high	107 Å²	107	47.7 Å²	47.7	57%	0.572	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-77.3	-15.6	179.6	-62.3	-28.6	0	0	0	112.8	R84 G118 G119 E123	R84-D121 IonicContact NH2-OD2 2.72Å; G118-D121 PolarHBondContact O-N 2.8Å; G119-D121 PolarHBondContact O-N 3.22Å; D121-E123 PolarHBondContact O-N 3.41Å
122	N	93.9	Very high	94.7	Very high	23 Å²	23	47.7 Å²	47.7	12%	0.123	24%	0.243	C	C	.	.			trans	-95.7	88.8	178	-175.8	10.9	0	0	0	110.9	S117 G119 P120 D124 Y125 L127	S117-N122 WeakPolarHBondContact O-CB 3.27Å; S117-N122 PolarHBondContact O-ND2 3.37Å; G119-N122 PolarHBondContact O-N 3.49Å; P120-N122 VanDerWaalsContact C-N 3.29Å; P120-N122 PolarHBondContact O-N 3.19Å; N122-D124 PolarHBondContact O-N 2.79Å; N122-D124 PolarHBondContact OD1-N 3.03Å; N122-Y125 WeakPolarHBondContact O-CB 3.3Å; N122-Y125 PolarHBondContact O-N 3.08Å; N122-Y125 VanDerWaalsContact O-N 3.16Å; N122-Y125 PolarHBondContact OD1-N 3.47Å; N122-L127 PolarHBondContact ND2-O 2.76Å; N122-L127 PolarHBondContact OD1-O 3.23Å
123	E	93.7	Very high	94.8	Very high	156 Å²	156	49.6 Å²	49.6	73%	0.729	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.4	179.2	-61.8	-177	176.4	0	0	113.3	D121	D121-E123 PolarHBondContact O-N 3.41Å
124	D	95.1	Very high	94.8	Very high	57 Å²	57	47.7 Å²	47.7	31%	0.305	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	14.1	-179.9	-67.5	-81.7	0	0	0	112.8	N122 L127 R129	N122-D124 PolarHBondContact O-N 2.79Å; N122-D124 PolarHBondContact OD1-N 3.03Å; D124-L127 CarbonylContact C-O 3.55Å; D124-L127 CarbonylContact O-C 3.52Å; D124-L127 WeakPolarHBondContact O-CA 3.3Å; D124-L127 WeakPolarHBondContact O-CB 3.24Å; D124-L127 PolarHBondContact O-N 3.16Å; D124-R129 HydrophobicContact CB-CB 3.98Å; D124-R129 VanDerWaalsContact CG-CB 3.49Å; D124-R129 WeakPolarHBondContact OD2-CB 3.27Å
125	Y	95.7	Very high	94.8	Very high	86 Å²	86	44.2 Å²	44.2	34%	0.337	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	134.5	177.9	170	-95.8	0	0	0	112.1	P112 Y114 S117 N122	P112-Y125 PolarHBondContact O-OH 3Å; Y114-Y125 HydrophobicContact CD2-CD1 4.12Å; Y114-Y125 AromaticContact CD2-CD2 3.91Å; Y114-Y125 HydrophobicContact CD2-CD2 3.91Å; Y114-Y125 HydrophobicContact CD2-CE1 4.16Å; Y114-Y125 AromaticContact CD2-CE2 3.97Å; Y114-Y125 HydrophobicContact CD2-CE2 3.97Å; Y114-Y125 AromaticContact CD2-CG 3.99Å; Y114-Y125 HydrophobicContact CD2-CG 3.99Å; Y114-Y125 HydrophobicContact CE2-CG 4.42Å; S117-Y125 WeakPolarHBondContact OG-CD2 3.46Å; N122-Y125 WeakPolarHBondContact O-CB 3.3Å; N122-Y125 PolarHBondContact O-N 3.08Å; N122-Y125 VanDerWaalsContact O-N 3.16Å; N122-Y125 PolarHBondContact OD1-N 3.47Å
126	P	96.4	Very high	94.9	Very high	20 Å²	20	40.9 Å²	40.9	13%	0.13	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.1	16.8	5.3	38.4	-38.5	0	0	0	114.9	Y110 N111 I174	Y110-P126 WeakPolarHBondContact CA-O 3.42Å; Y110-P126 HydrophobicContact CD2-CB 3.95Å; Y110-P126 HydrophobicContact CD2-CG 3.88Å; Y110-P126 VanDerWaalsContact CD2-O 3.28Å; Y110-P126 WeakPolarHBondContact CD2-O 3.38Å; Y110-P126 HydrophobicContact CE2-CB 3.68Å; Y110-P126 HydrophobicContact CE2-CG 3.48Å; Y110-P126 VanDerWaalsContact CE2-CG 3.48Å; N111-P126 PolarHBondContact N-O 3.11Å; N111-P126 WeakPolarHBondContact O-CB 3.34Å; P126-I174 HydrophobicContact CG-CB 4.48Å; P126-I174 HydrophobicContact CG-CD1 4.29Å; P126-I174 HydrophobicContact CG-CG1 3.84Å; P126-I174 HydrophobicContact CG-CG2 4.3Å
127	L	98.2	Very high	94.9	Very high	15 Å²	15	38.6 Å²	38.6	8%	0.079	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-93.8	169.8	176.2	-63	170.9	0	0	0	110.6	G109 Y110 N122 D124 L154 A155 I174	G109-L127 WeakPolarHBondContact O-CA 3.22Å; Y110-L127 HydrophobicContact CD2-CD2 4.11Å; N122-L127 PolarHBondContact ND2-O 2.76Å; N122-L127 PolarHBondContact OD1-O 3.23Å; D124-L127 CarbonylContact C-O 3.55Å; D124-L127 CarbonylContact O-C 3.52Å; D124-L127 WeakPolarHBondContact O-CA 3.3Å; D124-L127 WeakPolarHBondContact O-CB 3.24Å; D124-L127 PolarHBondContact O-N 3.16Å; L127-L154 HydrophobicContact CB-CB 4.2Å; L127-L154 HydrophobicContact CB-CD1 4.2Å; L127-L154 HydrophobicContact CD1-CB 4.49Å; L127-L154 HydrophobicContact CD2-CB 4.43Å; L127-A155 HydrophobicContact CD2-CB 3.82Å; L127-I174 HydrophobicContact CD1-CG1 4.17Å; L127-I174 HydrophobicContact CD2-CG1 4.1Å; L127-I174 HydrophobicContact CG-CG1 3.99Å
128	F	97.7	Very high	94.9	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.009	21%	0.211	C	C	.	.			trans	-121.2	103.5	176	-65.3	-67.2	0	0	0	110.4	P90 R92 G108 G109 N111 S117 E130	P90-F128 HydrophobicContact CB-CE1 3.7Å; P90-F128 HydrophobicContact CB-CZ 3.76Å; P90-F128 HydrophobicContact CG-CE1 4.04Å; R92-F128 HydrophobicContact CB-CD2 3.75Å; R92-F128 HydrophobicContact CB-CE2 3.45Å; R92-F128 VanDerWaalsContact CB-CE2 3.45Å; R92-F128 HydrophobicContact CB-CZ 4.44Å; G108-F128 VanDerWaalsContact CA-O 3.23Å; G108-F128 WeakPolarHBondContact CA-O 3.35Å; G109-F128 PolarHBondContact O-N 3.21Å; N111-F128 HydrophobicContact CB-CE2 3.67Å; N111-F128 HydrophobicContact CB-CZ 3.66Å; S117-F128 WeakPolarHBondContact O-CE1 3.38Å; F128-E130 VanDerWaalsContact C-N 3.28Å; F128-E130 HydrophobicContact CB-CG 3.73Å; F128-E130 PolarHBondContact O-N 3.06Å; F128-E130 VanDerWaalsContact O-N 3.17Å
129	R	97.1	Very high	95.1	Very high	60 Å²	60	42.4 Å²	42.4	23%	0.226	22%	0.222	C	C	.	.			trans	-91.6	62.9	178	-163.7	160.7	-178.9	-133.1	-7.8	111.8	D124 M150 P151 L154	D124-R129 HydrophobicContact CB-CB 3.98Å; D124-R129 VanDerWaalsContact CG-CB 3.49Å; D124-R129 WeakPolarHBondContact OD2-CB 3.27Å; R129-M150 HydrophobicContact CB-SD 4.37Å; R129-M150 HydrophobicContact CG-CG 4.18Å; R129-M150 HydrophobicContact CG-SD 3.36Å; R129-M150 WeakPolarHBondContact CG-SD 3.43Å; R129-M150 PolarHBondContact NH2-O 3.35Å; R129-P151 PolarHBondContact NE-O 3.12Å; R129-L154 HydrophobicContact CB-CD1 3.45Å; R129-L154 VanDerWaalsContact CB-CD1 3.45Å; R129-L154 HydrophobicContact CG-CD1 3.72Å; R129-L154 HydrophobicContact CG-CD2 4.42Å
130	E	96.2	Very high	95.2	Very high	18 Å²	18	44.1 Å²	44.1	8%	0.084	23%	0.232	C	C	.	.			trans	-146.6	146.6	-169.6	41.9	169.5	-144.9	0	0	111.8	R92 F107 G108 F128 W132 Q143	R92-E130 IonicContact CZ-OE1 2.85Å; R92-E130 IonicContact NH1-OE1 2.63Å; R92-E130 PolarHBondContact NH1-OE1 3.07Å; R92-E130 IonicContact NH2-OE1 3.15Å; R92-E130 PolarHBondContact NH2-OE1 3.42Å; F107-E130 VanDerWaalsContact CD2-O 3.28Å; F107-E130 WeakPolarHBondContact CD2-O 3.21Å; G108-E130 PolarHBondContact N-O 3.17Å; F128-E130 VanDerWaalsContact C-N 3.28Å; F128-E130 HydrophobicContact CB-CG 3.73Å; F128-E130 PolarHBondContact O-N 3.06Å; F128-E130 VanDerWaalsContact O-N 3.17Å; E130-W132 PolarHBondContact OE1-NE1 3.15Å; E130-W132 PolarHBondContact OE2-NE1 2.84Å; E130-W132 VanDerWaalsContact OE2-NE1 3.08Å; E130-Q143 PolarHBondContact OE2-NE2 2.94Å
131	L	97.9	Very high	95.4	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.6	173.1	178.3	63.3	0	0	0	108.8	F107 M144 T146 L166 W194	F107-L131 HydrophobicContact CB-CD1 4.06Å; F107-L131 HydrophobicContact CD2-CB 4.13Å; F107-L131 HydrophobicContact CD2-CD1 4.22Å; L131-M144 HydrophobicContact CB-CB 4.35Å; L131-M144 HydrophobicContact CD2-CB 4.27Å; L131-M144 HydrophobicContact CD2-CE 4.26Å; L131-M144 HydrophobicContact CD2-SD 3.79Å; L131-M144 HydrophobicContact CG-CB 4.22Å; L131-M144 HydrophobicContact CG-CG 4.45Å; L131-M144 HydrophobicContact CG-SD 3.94Å; L131-M144 WeakPolarHBondContact O-CB 2.99Å; L131-M144 PolarHBondContact O-N 2.95Å; L131-T146 HydrophobicContact CD2-CG2 3.99Å; L131-L166 HydrophobicContact CD1-CD1 3.66Å; L131-L166 HydrophobicContact CD2-CD1 3.97Å; L131-L166 HydrophobicContact CG-CD1 4.5Å; L131-W194 HydrophobicContact CD2-CZ2 4.44Å
132	W	97.7	Very high	95.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	148.8	175.7	-69.6	84	0	0	0	110.1	R84 R87 P89 Y105 V106 E130 W141 H142 Q143	R84-W132 HydrophobicContact CB-CH2 3.83Å; R87-W132 WeakPolarHBondContact O-CZ3 3.37Å; P89-W132 HydrophobicContact CB-CD2 3.85Å; P89-W132 HydrophobicContact CB-CE3 4.44Å; P89-W132 HydrophobicContact CB-CG 3.97Å; P89-W132 HydrophobicContact CB-CZ2 4.32Å; P89-W132 HydrophobicContact CG-CD2 4.46Å; P89-W132 HydrophobicContact CG-CG 4.49Å; Y105-W132 CarbonylContact C-O 3.54Å; Y105-W132 VanDerWaalsContact CA-O 3.25Å; Y105-W132 WeakPolarHBondContact CA-O 3.36Å; V106-W132 HydrophobicContact CB-CB 4.22Å; V106-W132 PolarHBondContact N-O 3.41Å; V106-W132 PolarHBondContact O-N 2.85Å; E130-W132 PolarHBondContact OE1-NE1 3.15Å; E130-W132 PolarHBondContact OE2-NE1 2.84Å; E130-W132 VanDerWaalsContact OE2-NE1 3.08Å; W132-W141 HydrophobicContact CB-CE3 4.02Å; W132-W141 HydrophobicContact CB-CZ3 3.94Å; W132-W141 HydrophobicContact CE3-CB 4.39Å; W132-W141 HydrophobicContact CE3-CE3 4.39Å; W132-W141 HydrophobicContact CZ3-CB 4.48Å; W132-H142 WeakPolarHBondContact CA-O 3.36Å; W132-Q143 HydrophobicContact CD2-CB 3.98Å; W132-Q143 HydrophobicContact CD2-CG 4.06Å; W132-Q143 HydrophobicContact CE3-CB 3.81Å; W132-Q143 HydrophobicContact CE3-CG 4.39Å; W132-Q143 VanDerWaalsContact CE3-N 3.35Å; W132-Q143 HydrophobicContact CH2-CB 3.75Å; W132-Q143 HydrophobicContact CH2-CG 4.15Å; W132-Q143 HydrophobicContact CZ2-CB 3.88Å; W132-Q143 HydrophobicContact CZ2-CG 3.74Å; W132-Q143 HydrophobicContact CZ3-CB 3.68Å; W132-Q143 HydrophobicContact CZ3-CG 4.43Å
133	R	96.7	Very high	95.7	Very high	69 Å²	69	37.3 Å²	37.3	26%	0.26	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.2	163.7	67.5	177.8	-173.4	169.6	7.1	110.8	N103 L104 Y105 W141 H142 M144	N103-R133 HydrophobicContact CB-CB 4.43Å; L104-R133 CarbonylContact O-C 3.57Å; L104-R133 VanDerWaalsContact O-CA 3.24Å; L104-R133 WeakPolarHBondContact O-CA 3.18Å; Y105-R133 HydrophobicContact CD1-CB 3.97Å; Y105-R133 HydrophobicContact CE1-CB 4.07Å; R133-W141 CarbonylContact O-C 3.55Å; R133-W141 WeakPolarHBondContact O-CA 3.4Å; R133-H142 HydrophobicContact CG-CB 3.91Å; R133-H142 PolarHBondContact N-O 3.11Å; R133-H142 PolarHBondContact O-N 3.03Å; R133-M144 HydrophobicContact CB-CG 4.27Å; R133-M144 HydrophobicContact CB-SD 3.84Å; R133-M144 HydrophobicContact CG-CG 3.92Å; R133-M144 HydrophobicContact CG-SD 3.98Å
134	Y	97.4	Very high	95.8	Very high	13 Å²	13	30.4 Å²	30.4	5%	0.051	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.1	165.9	175.4	-96.1	0	0	0	108.2	L48 N103 L104 F136 G139 W141 Y378 L395	L48-Y134 HydrophobicContact CD1-CE1 4.07Å; N103-Y134 VanDerWaalsContact CA-O 3.27Å; N103-Y134 WeakPolarHBondContact CA-O 3.43Å; L104-Y134 PolarHBondContact N-O 2.65Å; L104-Y134 PolarHBondContact O-N 2.85Å; Y134-F136 AromaticContact CD1-CD1 3.81Å; Y134-F136 HydrophobicContact CD1-CD1 3.81Å; Y134-F136 HydrophobicContact CD1-CE1 4.12Å; Y134-F136 AromaticContact CE1-CD1 3.97Å; Y134-F136 HydrophobicContact CE1-CD1 3.97Å; Y134-G139 VanDerWaalsContact CE2-O 3.25Å; Y134-G139 WeakPolarHBondContact CE2-O 3.15Å; Y134-G139 VanDerWaalsContact OH-CA 3.29Å; Y134-G139 WeakPolarHBondContact OH-CA 3.48Å; Y134-W141 AromaticContact CD2-CD1 3.7Å; Y134-W141 AromaticContact CD2-CD2 3.84Å; Y134-W141 HydrophobicContact CD2-CD2 3.84Å; Y134-W141 AromaticContact CD2-CE2 3.62Å; Y134-W141 AromaticContact CD2-CG 3.92Å; Y134-W141 HydrophobicContact CD2-CG 3.92Å; Y134-W141 HydrophobicContact CD2-CZ2 4.22Å; Y134-W141 AromaticContact CD2-NE1 3.52Å; Y134-W141 HydrophobicContact CG-CD2 4.27Å; Y134-W141 HydrophobicContact CG-CZ2 4.28Å; Y134-Y378 HydrophobicContact CD1-CE1 4.5Å; Y134-Y378 HydrophobicContact CE1-CE1 4.14Å; Y134-L395 HydrophobicContact CD1-CD2 3.84Å; Y134-L395 HydrophobicContact CD2-CD2 3.84Å; Y134-L395 HydrophobicContact CE1-CD2 3.88Å; Y134-L395 HydrophobicContact CE2-CD2 3.85Å; Y134-L395 HydrophobicContact CG-CD2 3.8Å
135	H	95.4	Very high	95.8	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.046	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	118.2	-177.6	-174.6	-93.1	0	0	0	110.2	N103 A137 T138 G139 V140 R440 L441	N103-H135 PolarHBondContact OD1-CD2 3.1Å; H135-A137 VanDerWaalsContact C-N 3.34Å; H135-A137 PolarHBondContact O-N 3.37Å; H135-T138 WeakPolarHBondContact CB-OG1 3.24Å; H135-T138 PolarHBondContact ND1-N 3.43Å; H135-T138 PolarHBondContact ND1-OG1 2.87Å; H135-T138 PolarHBondContact O-N 3.34Å; H135-G139 WeakPolarHBondContact O-CA 3.39Å; H135-G139 PolarHBondContact O-N 2.85Å; H135-V140 PolarHBondContact N-O 3.02Å; H135-R440 PolarHBondContact NE2-O 3.36Å; H135-L441 PolarHBondContact CE1-O 2.93Å; H135-L441 VanDerWaalsContact CE1-O 3.25Å
136	F	95.2	Very high	95.8	Very high	39 Å²	39	25.8 Å²	25.8	17%	0.171	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-38.9	-169.3	-61.7	-46.7	0	0	0	113.3	A99 D100 T102 L104 Y134 T372 Y378	A99-F136 HydrophobicContact CB-CE2 4.5Å; A99-F136 HydrophobicContact CB-CZ 3.99Å; D100-F136 WeakPolarHBondContact O-CE2 3.33Å; T102-F136 WeakPolarHBondContact O-CD2 3.45Å; T102-F136 PolarHBondContact O-N 2.83Å; L104-F136 HydrophobicContact CB-CE1 3.7Å; L104-F136 HydrophobicContact CB-CZ 3.81Å; L104-F136 VanDerWaalsContact N-CZ 3.26Å; Y134-F136 AromaticContact CD1-CD1 3.81Å; Y134-F136 HydrophobicContact CD1-CD1 3.81Å; Y134-F136 HydrophobicContact CD1-CE1 4.12Å; Y134-F136 AromaticContact CE1-CD1 3.97Å; Y134-F136 HydrophobicContact CE1-CD1 3.97Å; F136-T372 HydrophobicContact CD2-CG2 4.41Å; F136-T372 HydrophobicContact CE2-CG2 3.66Å; F136-T372 HydrophobicContact CZ-CG2 3.72Å; F136-Y378 AromaticContact CD1-CE1 3.71Å; F136-Y378 HydrophobicContact CD1-CE1 3.71Å; F136-Y378 AromaticContact CD1-CE2 3.97Å; F136-Y378 HydrophobicContact CD1-CE2 3.97Å; F136-Y378 AromaticContact CD1-CZ 3.38Å; F136-Y378 VanDerWaalsContact CD1-OH 3.25Å; F136-Y378 WeakPolarHBondContact CD1-OH 3.2Å; F136-Y378 HydrophobicContact CE1-CD1 4.01Å; F136-Y378 AromaticContact CE1-CD2 3.89Å; F136-Y378 HydrophobicContact CE1-CD2 3.89Å; F136-Y378 AromaticContact CE1-CE1 3.56Å; F136-Y378 HydrophobicContact CE1-CE1 3.56Å; F136-Y378 AromaticContact CE1-CE2 3.47Å; F136-Y378 HydrophobicContact CE1-CE2 3.47Å; F136-Y378 VanDerWaalsContact CE1-CE2 3.47Å; F136-Y378 HydrophobicContact CE1-CG 4.16Å; F136-Y378 AromaticContact CE1-CZ 3.29Å; F136-Y378 HydrophobicContact CZ-CD2 4.25Å; F136-Y378 AromaticContact CZ-CE2 3.95Å; F136-Y378 HydrophobicContact CZ-CE2 3.95Å
137	A	94.1	Very high	95.8	Very high	15 Å²	15	28.5 Å²	28.5	12%	0.124	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-31.2	-174.8	0	0	0	0	0	113.2	H135 W410 L414 L441	H135-A137 VanDerWaalsContact C-N 3.34Å; H135-A137 PolarHBondContact O-N 3.37Å; A137-W410 HydrophobicContact CB-CZ2 4.27Å; A137-L414 HydrophobicContact CB-CD1 3.69Å; A137-L414 HydrophobicContact CB-CD2 3.9Å; A137-L414 HydrophobicContact CB-CG 4.46Å; A137-L441 HydrophobicContact CB-CD1 3.78Å
138	T	92.7	Very high	95.7	Very high	59 Å²	59	29.6 Å²	29.6	36%	0.362	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-19.5	-178.9	56.6	0	0	0	0	112.5	H135 V140 A421	H135-T138 WeakPolarHBondContact CB-OG1 3.24Å; H135-T138 PolarHBondContact ND1-N 3.43Å; H135-T138 PolarHBondContact ND1-OG1 2.87Å; H135-T138 PolarHBondContact O-N 3.34Å; T138-V140 VanDerWaalsContact C-N 3.29Å; T138-V140 WeakPolarHBondContact O-CG2 3.25Å; T138-A421 HydrophobicContact CG2-CB 3.54Å
139	G	93	Very high	95.6	Very high	33 Å²	33	36.3 Å²	36.3	34%	0.34	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	23.4	-175.5	0	0	0	0	0	113.9	Y134 H135	Y134-G139 VanDerWaalsContact CE2-O 3.25Å; Y134-G139 WeakPolarHBondContact CE2-O 3.15Å; Y134-G139 VanDerWaalsContact OH-CA 3.29Å; Y134-G139 WeakPolarHBondContact OH-CA 3.48Å; H135-G139 WeakPolarHBondContact O-CA 3.39Å; H135-G139 PolarHBondContact O-N 2.85Å
140	V	93.5	Very high	95.6	Very high	38 Å²	38	34.2 Å²	34.2	23%	0.23	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.5	-170.2	-178.1	0	0	0	0	112	H86 H135 T138 H142	H86-V140 HydrophobicContact CB-CG1 4.06Å; H86-V140 WeakPolarHBondContact ND1-CG1 3.37Å; H135-V140 PolarHBondContact N-O 3.02Å; T138-V140 VanDerWaalsContact C-N 3.29Å; T138-V140 WeakPolarHBondContact O-CG2 3.25Å; V140-H142 WeakPolarHBondContact CG1-CE1 3.28Å; V140-H142 PolarHBondContact O-ND1 3.24Å
141	W	96.2	Very high	95.7	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.027	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	140.5	169	-74.9	103.8	0	0	0	112	S49 R87 P88 P89 L104 V106 W132 R133 Y134 H380 L395	S49-W141 PolarHBondContact OG-NE1 3.38Å; S49-W141 VanDerWaalsContact OG-NE1 3.11Å; R87-W141 WeakPolarHBondContact O-CB 3.14Å; P88-W141 HydrophobicContact CB-CG 4.23Å; P89-W141 HydrophobicContact CG-CD2 4.21Å; P89-W141 HydrophobicContact CG-CE3 4.13Å; P89-W141 HydrophobicContact CG-CH2 4.09Å; P89-W141 HydrophobicContact CG-CZ2 4.13Å; P89-W141 HydrophobicContact CG-CZ3 4.08Å; L104-W141 HydrophobicContact CD2-CH2 3.97Å; V106-W141 HydrophobicContact CB-CH2 4.41Å; V106-W141 HydrophobicContact CB-CZ3 4.26Å; V106-W141 HydrophobicContact CG2-CH2 3.71Å; V106-W141 HydrophobicContact CG2-CZ3 3.99Å; W132-W141 HydrophobicContact CB-CE3 4.02Å; W132-W141 HydrophobicContact CB-CZ3 3.94Å; W132-W141 HydrophobicContact CE3-CB 4.39Å; W132-W141 HydrophobicContact CE3-CE3 4.39Å; W132-W141 HydrophobicContact CZ3-CB 4.48Å; R133-W141 CarbonylContact O-C 3.55Å; R133-W141 WeakPolarHBondContact O-CA 3.4Å; Y134-W141 AromaticContact CD2-CD1 3.7Å; Y134-W141 AromaticContact CD2-CD2 3.84Å; Y134-W141 HydrophobicContact CD2-CD2 3.84Å; Y134-W141 AromaticContact CD2-CE2 3.62Å; Y134-W141 AromaticContact CD2-CG 3.92Å; Y134-W141 HydrophobicContact CD2-CG 3.92Å; Y134-W141 HydrophobicContact CD2-CZ2 4.22Å; Y134-W141 AromaticContact CD2-NE1 3.52Å; Y134-W141 HydrophobicContact CG-CD2 4.27Å; Y134-W141 HydrophobicContact CG-CZ2 4.28Å; W141-H380 AromaticContact CZ2-CD2 3.99Å; W141-L395 HydrophobicContact CZ2-CB 4.21Å; W141-L395 HydrophobicContact CZ2-CD1 4.23Å; W141-L395 HydrophobicContact CZ2-CD2 3.71Å; W141-L395 HydrophobicContact CZ2-CG 4.26Å
142	H	94.6	Very high	95.6	Very high	57 Å²	57	40.9 Å²	40.9	26%	0.264	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	123	173.1	-64.5	83.1	0	0	0	109.7	H86 W132 R133 V140 M144	H86-H142 AromaticContact CE1-NE2 3.51Å; H86-H142 AromaticContact ND1-NE2 3.59Å; W132-H142 WeakPolarHBondContact CA-O 3.36Å; R133-H142 HydrophobicContact CG-CB 3.91Å; R133-H142 PolarHBondContact N-O 3.11Å; R133-H142 PolarHBondContact O-N 3.03Å; V140-H142 WeakPolarHBondContact CG1-CE1 3.28Å; V140-H142 PolarHBondContact O-ND1 3.24Å; H142-M144 PolarHBondContact O-N 3.48Å
143	Q	95.7	Very high	95.6	Very high	29 Å²	29	42.5 Å²	42.5	14%	0.136	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	120.7	167.3	-160.3	180	9.3	0	0	108.3	L83 R84 E130 W132 G145	L83-Q143 HydrophobicContact CD2-CB 4.24Å; L83-Q143 HydrophobicContact CD2-CG 4.26Å; R84-Q143 VanDerWaalsContact N-OE1 3.07Å; E130-Q143 PolarHBondContact OE2-NE2 2.94Å; W132-Q143 HydrophobicContact CD2-CB 3.98Å; W132-Q143 HydrophobicContact CD2-CG 4.06Å; W132-Q143 HydrophobicContact CE3-CB 3.81Å; W132-Q143 HydrophobicContact CE3-CG 4.39Å; W132-Q143 VanDerWaalsContact CE3-N 3.35Å; W132-Q143 HydrophobicContact CH2-CB 3.75Å; W132-Q143 HydrophobicContact CH2-CG 4.15Å; W132-Q143 HydrophobicContact CZ2-CB 3.88Å; W132-Q143 HydrophobicContact CZ2-CG 3.74Å; W132-Q143 HydrophobicContact CZ3-CB 3.68Å; W132-Q143 HydrophobicContact CZ3-CG 4.43Å; Q143-G145 PolarHBondContact O-N 3.32Å
144	M	95.5	Very high	95.7	Very high	11 Å²	11	39.3 Å²	39.3	5%	0.054	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	111.1	-178.2	-62.6	-177.3	65.9	0	0	109.4	Y105 L131 R133 H142 T146 V189 K192	Y105-M144 HydrophobicContact CD1-SD 3.98Å; Y105-M144 HydrophobicContact CE1-SD 4Å; L131-M144 HydrophobicContact CB-CB 4.35Å; L131-M144 HydrophobicContact CD2-CB 4.27Å; L131-M144 HydrophobicContact CD2-CE 4.26Å; L131-M144 HydrophobicContact CD2-SD 3.79Å; L131-M144 HydrophobicContact CG-CB 4.22Å; L131-M144 HydrophobicContact CG-CG 4.45Å; L131-M144 HydrophobicContact CG-SD 3.94Å; L131-M144 WeakPolarHBondContact O-CB 2.99Å; L131-M144 PolarHBondContact O-N 2.95Å; R133-M144 HydrophobicContact CB-CG 4.27Å; R133-M144 HydrophobicContact CB-SD 3.84Å; R133-M144 HydrophobicContact CG-CG 3.92Å; R133-M144 HydrophobicContact CG-SD 3.98Å; H142-M144 PolarHBondContact O-N 3.48Å; M144-T146 HydrophobicContact CB-CG2 4.22Å; M144-T146 PolarHBondContact O-N 3.11Å; M144-V189 HydrophobicContact CE-CB 4.4Å; M144-K192 HydrophobicContact CE-CG 4.03Å
145	G	94.4	Very high	95.7	Very high	24 Å²	24	38.7 Å²	38.7	25%	0.247	21%	0.208	C	C	.	.			trans	-63.5	115.7	163	0	0	0	0	0	109.5	Q143	Q143-G145 PolarHBondContact O-N 3.32Å
146	T	96.4	Very high	95.8	Very high	21 Å²	21	38.7 Å²	38.7	13%	0.129	21%	0.209	C	C	.	.			trans	-125.2	152.9	178.8	58.4	0	0	0	0	111	L131 M144 M150 K192 W194	L131-T146 HydrophobicContact CD2-CG2 3.99Å; M144-T146 HydrophobicContact CB-CG2 4.22Å; M144-T146 PolarHBondContact O-N 3.11Å; T146-M150 WeakPolarHBondContact OG1-CE 3.1Å; T146-K192 CarbonylContact C-O 3.58Å; T146-K192 WeakPolarHBondContact CA-O 3.21Å; T146-K192 WeakPolarHBondContact CB-O 3.31Å; T146-K192 HydrophobicContact CG2-CB 4.08Å; T146-W194 PolarHBondContact OG1-NE1 2.86Å; T146-W194 VanDerWaalsContact OG1-NE1 3.11Å
147	D	95.5	Very high	95.9	Very high	78 Å²	78	36.9 Å²	36.9	42%	0.417	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	175.8	174.8	66.9	6.4	0	0	0	112.5	K192 R193 W194	D147-K192 PolarHBondContact N-O 3.5Å; D147-R193 WeakPolarHBondContact OD1-CA 3.41Å; D147-R193 WeakPolarHBondContact OD1-CB 3.39Å; D147-R193 WeakPolarHBondContact OD1-CG 3.28Å; D147-W194 WeakPolarHBondContact O-CB 3.39Å; D147-W194 PolarHBondContact O-N 3.44Å
148	G	96.7	Very high	96.1	Very high	38 Å²	38	36.2 Å²	36.2	39%	0.392	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	85.8	-158.1	173.8	0	0	0	0	0	115.5	M150 W194	G148-M150 PolarHBondContact O-N 3.04Å; G148-W194 WeakPolarHBondContact CA-O 3.23Å
149	Y	95.5	Very high	96.4	Very high	142 Å²	142	33.6 Å²	33.6	56%	0.557	18%	0.179	S	C	*	.			trans	-86.3	67.6	-167.2	-66.7	-82.4	0	0	0	113	P74 H185 W194	P74-Y149 HydrophobicContact CB-CE1 4.17Å; Y149-H185 PolarHBondContact O-ND1 3.44Å; Y149-W194 PolarHBondContact N-O 2.87Å
150	M	97.5	Very high	96.7	Very high	16 Å²	16	32.9 Å²	32.9	8%	0.079	17%	0.168	C	C	.	.			trans	-67.5	139.2	173.7	-170.8	-174.9	-70.5	0	0	110.8	F107 R129 T146 G148 W194	F107-M150 HydrophobicContact CE2-CE 4.38Å; F107-M150 HydrophobicContact CE2-CG 3.92Å; F107-M150 HydrophobicContact CE2-SD 3.83Å; F107-M150 HydrophobicContact CZ-CG 3.86Å; F107-M150 HydrophobicContact CZ-SD 4.26Å; R129-M150 HydrophobicContact CB-SD 4.37Å; R129-M150 HydrophobicContact CG-CG 4.18Å; R129-M150 HydrophobicContact CG-SD 3.36Å; R129-M150 WeakPolarHBondContact CG-SD 3.43Å; R129-M150 PolarHBondContact NH2-O 3.35Å; T146-M150 WeakPolarHBondContact OG1-CE 3.1Å; G148-M150 PolarHBondContact O-N 3.04Å; M150-W194 HydrophobicContact CB-CB 4.44Å; M150-W194 HydrophobicContact CB-CD2 4.13Å; M150-W194 HydrophobicContact CB-CG 3.95Å; M150-W194 HydrophobicContact CE-CZ2 4.39Å; M150-W194 VanDerWaalsContact CE-NE1 3.25Å; M150-W194 HydrophobicContact CG-CD2 4.1Å; M150-W194 HydrophobicContact CG-CG 4.39Å; M150-W194 HydrophobicContact CG-CZ2 4.29Å
151	P	97	Very high	96.9	Very high	6 Å²	6	33.2 Å²	33.2	4%	0.039	17%	0.169	C	C	.	.			trans	-63.8	164.9	179	24.6	-33	0	0	0	113	F107 R129 L154 V168 H185 W194	F107-P151 HydrophobicContact CE1-CG 3.71Å; F107-P151 HydrophobicContact CZ-CG 3.63Å; R129-P151 PolarHBondContact NE-O 3.12Å; P151-L154 HydrophobicContact CG-CD2 4.5Å; P151-V168 HydrophobicContact CG-CG1 4.17Å; P151-H185 HydrophobicContact CG-CB 4.28Å; P151-W194 HydrophobicContact CG-CZ3 4.47Å
152	R	96.8	Very high	96.9	Very high	153 Å²	153	37.3 Å²	37.3	58%	0.577	19%	0.188	S	C	*	.	S	Bend	trans	-112.5	-24.9	177.6	-67.6	-176	175.8	-128.5	0.8	113.1	L154	R152-L154 VanDerWaalsContact C-N 3.29Å; R152-L154 WeakPolarHBondContact O-CD1 3.39Å; R152-L154 WeakPolarHBondContact O-CG 3.49Å; R152-L154 PolarHBondContact O-N 3.19Å
153	E	98	Very high	96.9	Very high	35 Å²	35	37.6 Å²	37.6	16%	0.164	21%	0.206	C	C	.	.			trans	-82.3	72.7	178.6	-69.4	74.6	-157.6	0	0	111.1	T172 S179	E153-T172 CarbonylContact C-O 3.51Å; E153-S179 WeakPolarHBondContact CG-O 3.11Å; E153-S179 PolarHBondContact OE1-OG 3.25Å
154	L	98.1	Very high	97	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.22	C	C	.	.			trans	-94.2	-2.6	-160.6	-66.1	153.3	0	0	0	114.6	F107 G109 L127 R129 P151 R152 M157 T172	F107-L154 HydrophobicContact CE1-CD2 3.83Å; F107-L154 HydrophobicContact CE2-CD2 4.24Å; F107-L154 HydrophobicContact CZ-CD2 3.48Å; F107-L154 VanDerWaalsContact CZ-CD2 3.48Å; G109-L154 WeakPolarHBondContact CA-O 3.5Å; G109-L154 PolarHBondContact N-O 3.25Å; L127-L154 HydrophobicContact CB-CB 4.2Å; L127-L154 HydrophobicContact CB-CD1 4.2Å; L127-L154 HydrophobicContact CD1-CB 4.49Å; L127-L154 HydrophobicContact CD2-CB 4.43Å; R129-L154 HydrophobicContact CB-CD1 3.45Å; R129-L154 VanDerWaalsContact CB-CD1 3.45Å; R129-L154 HydrophobicContact CG-CD1 3.72Å; R129-L154 HydrophobicContact CG-CD2 4.42Å; P151-L154 HydrophobicContact CG-CD2 4.5Å; R152-L154 VanDerWaalsContact C-N 3.29Å; R152-L154 WeakPolarHBondContact O-CD1 3.39Å; R152-L154 WeakPolarHBondContact O-CG 3.49Å; R152-L154 PolarHBondContact O-N 3.19Å; L154-M157 WeakPolarHBondContact O-CE 3.18Å; L154-T172 PolarHBondContact N-O 2.7Å
155	A	97.9	Very high	97.1	Very high	1 Å²	1	42 Å²	42	1%	0.008	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-94.5	139.4	167.4	0	0	0	0	0	108.5	L127 M157 G171 T172 F176	L127-A155 HydrophobicContact CD2-CB 3.82Å; A155-M157 PolarHBondContact O-N 3.22Å; A155-G171 CarbonylContact O-C 3.53Å; A155-G171 VanDerWaalsContact O-CA 3.27Å; A155-G171 WeakPolarHBondContact O-CA 3.3Å; A155-T172 HydrophobicContact CB-CG2 4.09Å; A155-T172 PolarHBondContact N-O 3.38Å; A155-T172 PolarHBondContact O-N 2.87Å; A155-F176 HydrophobicContact CB-CD1 4.39Å; A155-F176 HydrophobicContact CB-CE1 3.58Å; A155-F176 HydrophobicContact CB-CZ 4.38Å
156	S	97.7	Very high	97.3	Very high	10 Å²	10	40.9 Å²	40.9	7%	0.07	22%	0.219	C	C	.	.	S	Bend	trans	66.4	17.7	158.3	-77.9	0	0	0	0	116.2	G94 G209 R262	G94-S156 WeakPolarHBondContact O-CA 3.38Å; G94-S156 PolarHBondContact O-N 3Å; S156-G209 PolarHBondContact O-N 2.96Å; S156-R262 PolarHBondContact O-NH1 2.85Å; S156-R262 PolarHBondContact OG-NE 3.49Å; S156-R262 PolarHBondContact OG-NH1 3.44Å; S156-R262 PolarHBondContact OG-NH2 3.09Å
157	M	98	Very high	97.4	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	22%	0.215	C	C	.	.			trans	-70.6	172.9	168.2	68.1	-83.4	107.3	0	0	113	G94 R96 L154 A155 V168 F169 G170	G94-M157 WeakPolarHBondContact O-CE 3.45Å; R96-M157 HydrophobicContact CB-CE 4.43Å; R96-M157 HydrophobicContact CG-CE 3.86Å; R96-M157 WeakPolarHBondContact CG-O 3.34Å; L154-M157 WeakPolarHBondContact O-CE 3.18Å; A155-M157 PolarHBondContact O-N 3.22Å; M157-V168 HydrophobicContact CB-CG1 4.13Å; M157-V168 HydrophobicContact CG-CG1 3.77Å; M157-F169 WeakPolarHBondContact CB-O 3.18Å; M157-G170 WeakPolarHBondContact CB-O 3.4Å
158	S	98	Very high	97.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	146.8	169.7	-74.4	0	0	0	0	111.4	V168 F169 Q210	S158-V168 VanDerWaalsContact O-CA 3.31Å; S158-V168 WeakPolarHBondContact O-CA 3.27Å; S158-F169 PolarHBondContact N-O 3.34Å; S158-F169 PolarHBondContact O-N 2.87Å; S158-Q210 PolarHBondContact OG-O 3.43Å
159	L	98.6	Very high	97.7	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	133.2	-178.4	-170.3	157.5	0	0	0	109.4	R96 V98 F107 L166 L167 V168	R96-L159 HydrophobicContact CB-CB 3.57Å; R96-L159 HydrophobicContact CB-CD1 4.31Å; R96-L159 HydrophobicContact CB-CG 4.5Å; R96-L159 HydrophobicContact CG-CB 4.12Å; V98-L159 HydrophobicContact CB-CD2 3.96Å; V98-L159 HydrophobicContact CG1-CD2 3.37Å; V98-L159 HydrophobicContact CG2-CD2 3.34Å; F107-L159 HydrophobicContact CB-CD1 3.66Å; F107-L159 HydrophobicContact CD1-CD1 4.07Å; F107-L159 HydrophobicContact CG-CD1 4.19Å; L159-L166 HydrophobicContact CD2-CD2 4.15Å; L159-L167 VanDerWaalsContact CA-O 3.27Å; L159-L167 WeakPolarHBondContact CA-O 3.17Å; L159-V168 HydrophobicContact CB-CG2 4.4Å; L159-V168 HydrophobicContact CD1-CG2 3.79Å; L159-V168 HydrophobicContact CG-CG2 3.93Å
160	V	98.4	Very high	97.8	Very high	18 Å²	18	28.3 Å²	28.3	11%	0.109	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156	169.9	-60.5	0	0	0	0	110.1	L167 M212 I214 L219	V160-L167 HydrophobicContact CG2-CB 3.82Å; V160-L167 PolarHBondContact N-O 3.22Å; V160-L167 PolarHBondContact O-N 2.96Å; V160-M212 HydrophobicContact CB-CE 4.21Å; V160-M212 HydrophobicContact CG1-CB 4.4Å; V160-M212 HydrophobicContact CG1-CE 3.77Å; V160-M212 HydrophobicContact CG1-CG 4.15Å; V160-M212 HydrophobicContact CG2-CE 3.83Å; V160-I214 HydrophobicContact CB-CD1 4.47Å; V160-I214 HydrophobicContact CG2-CD1 3.59Å; V160-I214 HydrophobicContact CG2-CG1 3.91Å; V160-L219 HydrophobicContact CG2-CD1 3.81Å
161	L	98.1	Very high	97.8	Very high	46 Å²	46	27.6 Å²	27.6	24%	0.241	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.1	174	-178.6	66.6	0	0	0	109.8	V98 D100 G163 L166	V98-L161 HydrophobicContact CB-CB 4.05Å; V98-L161 HydrophobicContact CG1-CB 4.34Å; V98-L161 HydrophobicContact CG2-CB 3.96Å; D100-L161 HydrophobicContact CB-CD2 3.92Å; L161-G163 WeakPolarHBondContact CD1-O 3.47Å; L161-L166 HydrophobicContact CD1-CD2 3.65Å
162	H	96.8	Very high	97.8	Very high	93 Å²	93	27.3 Å²	27.3	43%	0.431	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	105.5	173.5	-169.2	67.6	0	0	0	110.4	N164 N165 L167 I214	H162-N164 PolarHBondContact O-N 3.07Å; H162-N165 PolarHBondContact N-O 2.63Å; H162-N165 WeakPolarHBondContact O-CB 3.21Å; H162-N165 PolarHBondContact O-N 2.82Å; H162-L167 HydrophobicContact CB-CD1 4.27Å; H162-I214 HydrophobicContact CB-CD1 3.63Å
163	G	95.2	Very high	97.8	Very high	62 Å²	62	20.3 Å²	20.3	64%	0.639	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	-120.9	-168.5	0	0	0	0	0	110.5	L161	L161-G163 WeakPolarHBondContact CD1-O 3.47Å
164	N	96.8	Very high	97.6	Very high	82 Å²	82	22.2 Å²	22.2	44%	0.439	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	11.2	176.3	-67.3	-44.1	0	0	0	113.6	H162 N188 V189	H162-N164 PolarHBondContact O-N 3.07Å; N164-N188 CarbonylContact O-C 3.55Å; N164-N188 WeakPolarHBondContact O-CA 3.49Å; N164-V189 HydrophobicContact CB-CG2 4.26Å; N164-V189 WeakPolarHBondContact O-CG2 3.04Å; N164-V189 PolarHBondContact O-N 3.02Å
165	N	98.4	Very high	97.4	Very high	51 Å²	51	25.2 Å²	25.2	27%	0.273	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.4	-173	-61.3	-44.7	0	0	0	111	H162 L167 V186 C187 N188	H162-N165 PolarHBondContact N-O 2.63Å; H162-N165 WeakPolarHBondContact O-CB 3.21Å; H162-N165 PolarHBondContact O-N 2.82Å; N165-L167 HydrophobicContact CB-CD1 3.82Å; N165-V186 HydrophobicContact CB-CG1 3.8Å; N165-C187 CarbonylContact C-O 3.59Å; N165-C187 WeakPolarHBondContact CA-O 3.39Å; N165-N188 PolarHBondContact OD1-ND2 2.81Å
166	L	98.7	Very high	97	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	119.4	164.6	-51.2	172.7	0	0	0	107.7	V98 Y105 L131 L159 L161 V186 C187 V189	V98-L166 HydrophobicContact CG2-CD2 3.48Å; V98-L166 VanDerWaalsContact CG2-CD2 3.48Å; Y105-L166 HydrophobicContact CD2-CD2 4.31Å; Y105-L166 HydrophobicContact CG-CD2 4.38Å; L131-L166 HydrophobicContact CD1-CD1 3.66Å; L131-L166 HydrophobicContact CD2-CD1 3.97Å; L131-L166 HydrophobicContact CG-CD1 4.5Å; L159-L166 HydrophobicContact CD2-CD2 4.15Å; L161-L166 HydrophobicContact CD1-CD2 3.65Å; L166-V186 CarbonylContact O-C 3.55Å; L166-V186 VanDerWaalsContact O-CA 3.29Å; L166-V186 WeakPolarHBondContact O-CA 3.26Å; L166-C187 HydrophobicContact CB-CB 4.13Å; L166-C187 HydrophobicContact CD1-CB 4.25Å; L166-C187 HydrophobicContact CG-CB 4.45Å; L166-C187 PolarHBondContact N-O 3.33Å; L166-C187 PolarHBondContact O-N 3.12Å; L166-V189 HydrophobicContact CD1-CG1 3.71Å; L166-V189 HydrophobicContact CD2-CG1 4.13Å; L166-V189 HydrophobicContact CG-CG1 3.61Å
167	L	98.6	Very high	96.7	Very high	8 Å²	8	28 Å²	28	4%	0.042	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	120.4	173.4	-81.2	68.3	0	0	0	108.2	L159 V160 H162 N165 H185 V186 M212 I214 L239	L159-L167 VanDerWaalsContact CA-O 3.27Å; L159-L167 WeakPolarHBondContact CA-O 3.17Å; V160-L167 HydrophobicContact CG2-CB 3.82Å; V160-L167 PolarHBondContact N-O 3.22Å; V160-L167 PolarHBondContact O-N 2.96Å; H162-L167 HydrophobicContact CB-CD1 4.27Å; N165-L167 HydrophobicContact CB-CD1 3.82Å; L167-H185 CarbonylContact C-O 3.47Å; L167-H185 WeakPolarHBondContact CA-O 3.25Å; L167-V186 HydrophobicContact CD1-CG1 4.32Å; L167-V186 HydrophobicContact CG-CG2 4.23Å; L167-M212 WeakPolarHBondContact O-CE 3.37Å; L167-I214 HydrophobicContact CD2-CD1 4.44Å; L167-L239 HydrophobicContact CD2-CD1 4.48Å; L167-L239 HydrophobicContact CD2-CD2 3.8Å
168	V	98.7	Very high	96.4	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.8	179.8	-178.9	0	0	0	0	109.4	F107 P151 M157 S158 L159 V184 H185 W194	F107-V168 HydrophobicContact CD1-CG2 4.01Å; F107-V168 HydrophobicContact CE1-CG1 4.16Å; F107-V168 HydrophobicContact CE1-CG2 4.09Å; P151-V168 HydrophobicContact CG-CG1 4.17Å; M157-V168 HydrophobicContact CB-CG1 4.13Å; M157-V168 HydrophobicContact CG-CG1 3.77Å; S158-V168 VanDerWaalsContact O-CA 3.31Å; S158-V168 WeakPolarHBondContact O-CA 3.27Å; L159-V168 HydrophobicContact CB-CG2 4.4Å; L159-V168 HydrophobicContact CD1-CG2 3.79Å; L159-V168 HydrophobicContact CG-CG2 3.93Å; V168-V184 WeakPolarHBondContact O-CA 3.45Å; V168-H185 HydrophobicContact CB-CB 4.33Å; V168-H185 PolarHBondContact N-O 2.87Å; V168-H185 PolarHBondContact O-N 2.8Å; V168-W194 HydrophobicContact CB-CZ3 4.4Å; V168-W194 HydrophobicContact CG2-CH2 3.9Å; V168-W194 HydrophobicContact CG2-CZ3 3.82Å
169	F	98.3	Very high	96.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.2	178.2	-178.5	-94.3	0	0	0	111.3	M157 S158 N182 V184 P204 Q210 M212 V221 W244	M157-F169 WeakPolarHBondContact CB-O 3.18Å; S158-F169 PolarHBondContact N-O 3.34Å; S158-F169 PolarHBondContact O-N 2.87Å; F169-N182 VanDerWaalsContact CE2-C 3.47Å; F169-N182 HydrophobicContact CE2-CB 4.35Å; F169-N182 VanDerWaalsContact CE2-O 3.23Å; F169-N182 WeakPolarHBondContact CE2-O 3.42Å; F169-N182 HydrophobicContact CZ-CB 4.09Å; F169-V184 HydrophobicContact CD2-CG2 3.74Å; F169-V184 HydrophobicContact CE2-CG2 4.41Å; F169-P204 HydrophobicContact CE1-CB 4.25Å; F169-P204 HydrophobicContact CE1-CG 4.02Å; F169-P204 HydrophobicContact CE2-CG 4.37Å; F169-P204 HydrophobicContact CZ-CB 3.82Å; F169-P204 HydrophobicContact CZ-CG 3.52Å; F169-Q210 HydrophobicContact CD1-CG 4.22Å; F169-Q210 PolarHBondContact O-NE2 2.74Å; F169-M212 HydrophobicContact CB-CE 4.43Å; F169-M212 HydrophobicContact CB-SD 3.68Å; F169-V221 HydrophobicContact CD1-CG1 3.95Å; F169-V221 HydrophobicContact CD1-CG2 4.02Å; F169-V221 HydrophobicContact CE1-CG1 3.81Å; F169-V221 HydrophobicContact CE1-CG2 4.37Å; F169-V221 HydrophobicContact CG-CG2 4.41Å; F169-W244 HydrophobicContact CD2-CZ2 4.15Å; F169-W244 HydrophobicContact CE2-CH2 4.37Å; F169-W244 AromaticContact CE2-CZ2 3.92Å; F169-W244 HydrophobicContact CE2-CZ2 3.92Å
170	G	97.7	Very high	96.2	Very high	6 Å²	6	36.2 Å²	36.2	6%	0.062	21%	0.211	C	C	.	.			trans	65	-149.3	174.7	0	0	0	0	0	113.3	M157 G181 I207	M157-G170 WeakPolarHBondContact CB-O 3.4Å; G170-G181 WeakPolarHBondContact CA-O 3.18Å; G170-I207 WeakPolarHBondContact CA-O 3.38Å
171	G	97.9	Very high	96	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.209	C	C	.	.			trans	99.1	176.2	-176.4	0	0	0	0	0	112	A155 N180 G181 I207 Y208	A155-G171 CarbonylContact O-C 3.53Å; A155-G171 VanDerWaalsContact O-CA 3.27Å; A155-G171 WeakPolarHBondContact O-CA 3.3Å; G171-N180 VanDerWaalsContact O-CA 3.27Å; G171-N180 WeakPolarHBondContact O-CA 3.39Å; G171-G181 PolarHBondContact O-N 3.42Å; G171-I207 PolarHBondContact N-O 2.73Å; G171-Y208 VanDerWaalsContact C-CB 3.48Å
172	T	98.2	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-136.5	147.8	-176.4	-170.7	0	0	0	0	112.5	E153 L154 A155 F176 G177 S179 N180 Y208	E153-T172 CarbonylContact C-O 3.51Å; L154-T172 PolarHBondContact N-O 2.7Å; A155-T172 HydrophobicContact CB-CG2 4.09Å; A155-T172 PolarHBondContact N-O 3.38Å; A155-T172 PolarHBondContact O-N 2.87Å; T172-F176 HydrophobicContact CG2-CB 4.44Å; T172-F176 HydrophobicContact CG2-CD1 3.48Å; T172-F176 VanDerWaalsContact CG2-CD1 3.48Å; T172-F176 HydrophobicContact CG2-CE1 4.13Å; T172-F176 HydrophobicContact CG2-CG 4.34Å; T172-G177 PolarHBondContact OG1-N 3.37Å; T172-S179 CarbonylContact C-O 3.52Å; T172-S179 VanDerWaalsContact CA-O 3.29Å; T172-S179 WeakPolarHBondContact CA-O 3.38Å; T172-S179 PolarHBondContact OG1-O 2.93Å; T172-N180 WeakPolarHBondContact CB-OD1 3.25Å; T172-N180 PolarHBondContact OG1-OD1 3.45Å; T172-Y208 HydrophobicContact CG2-CD1 4.11Å; T172-Y208 HydrophobicContact CG2-CD2 3.68Å; T172-Y208 HydrophobicContact CG2-CE1 4.49Å; T172-Y208 HydrophobicContact CG2-CE2 4.13Å; T172-Y208 HydrophobicContact CG2-CG 3.7Å
173	G	96.7	Very high	96	Very high	7 Å²	7	32.3 Å²	32.3	7%	0.072	20%	0.195	C	C	.	.			trans	-83.7	-159	168.5	0	0	0	0	0	112	P175 F176 S179	G173-P175 CarbonylContact O-C 3.59Å; G173-F176 VanDerWaalsContact O-CD1 3.29Å; G173-F176 WeakPolarHBondContact O-CD1 3.05Å; G173-S179 PolarHBondContact N-O 2.93Å
174	I	93.3	Very high	96.1	Very high	74 Å²	74	29.4 Å²	29.4	38%	0.379	17%	0.165	S	C	.	.	S	Bend	trans	-125	133.2	176.5	-62.1	-73.3	0	0	0	109.2	Y110 P126 L127 F176	Y110-I174 HydrophobicContact CD2-CD1 3.79Å; Y110-I174 HydrophobicContact CD2-CG1 4.39Å; Y110-I174 HydrophobicContact CE2-CD1 3.51Å; Y110-I174 HydrophobicContact CE2-CG1 4.29Å; P126-I174 HydrophobicContact CG-CB 4.48Å; P126-I174 HydrophobicContact CG-CD1 4.29Å; P126-I174 HydrophobicContact CG-CG1 3.84Å; P126-I174 HydrophobicContact CG-CG2 4.3Å; L127-I174 HydrophobicContact CD1-CG1 4.17Å; L127-I174 HydrophobicContact CD2-CG1 4.1Å; L127-I174 HydrophobicContact CG-CG1 3.99Å; I174-F176 HydrophobicContact CD1-CD1 3.56Å; I174-F176 HydrophobicContact CD1-CD2 4.37Å; I174-F176 HydrophobicContact CD1-CE1 3.19Å; I174-F176 HydrophobicContact CD1-CE2 4.05Å; I174-F176 HydrophobicContact CD1-CG 4.16Å; I174-F176 HydrophobicContact CD1-CZ 3.47Å; I174-F176 VanDerWaalsContact CD1-CZ 3.47Å; I174-F176 HydrophobicContact CG1-CE1 4.37Å
175	P	93.4	Very high	96.2	Very high	65 Å²	65	26.7 Å²	26.7	42%	0.422	15%	0.149	S	C	.	.	S	Bend	cis	-61.4	153.5	-4.7	-19.8	32.9	0	0	0	113.5	G173 G177 E178	G173-P175 CarbonylContact O-C 3.59Å; P175-G177 PolarHBondContact O-N 3.25Å; P175-E178 HydrophobicContact CB-CG 3.84Å; P175-E178 HydrophobicContact CG-CG 4.15Å; P175-E178 WeakPolarHBondContact O-CB 3.19Å; P175-E178 PolarHBondContact O-N 2.86Å
176	F	90.3	Very high	96.2	Very high	61 Å²	61	25.4 Å²	25.4	27%	0.268	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	132.7	-177.5	-66.9	-46.8	0	0	0	111	A3 Y110 A155 T172 G173 I174 E178	A3-F176 HydrophobicContact CB-CD2 3.45Å; A3-F176 VanDerWaalsContact CB-CD2 3.45Å; A3-F176 HydrophobicContact CB-CE2 3.36Å; Y110-F176 AromaticContact CD1-CZ 3.91Å; Y110-F176 HydrophobicContact CD1-CZ 3.91Å; Y110-F176 HydrophobicContact CD2-CE1 4.38Å; Y110-F176 AromaticContact CD2-CZ 3.85Å; Y110-F176 HydrophobicContact CD2-CZ 3.85Å; Y110-F176 HydrophobicContact CE1-CE2 4.21Å; Y110-F176 AromaticContact CE1-CZ 3.92Å; Y110-F176 HydrophobicContact CE1-CZ 3.92Å; Y110-F176 HydrophobicContact CE2-CE2 4.46Å; Y110-F176 AromaticContact CE2-CZ 3.87Å; Y110-F176 HydrophobicContact CE2-CZ 3.87Å; Y110-F176 AromaticContact CG-CZ 3.84Å; Y110-F176 HydrophobicContact CG-CZ 3.84Å; Y110-F176 AromaticContact CZ-CZ 3.89Å; A155-F176 HydrophobicContact CB-CD1 4.39Å; A155-F176 HydrophobicContact CB-CE1 3.58Å; A155-F176 HydrophobicContact CB-CZ 4.38Å; T172-F176 HydrophobicContact CG2-CB 4.44Å; T172-F176 HydrophobicContact CG2-CD1 3.48Å; T172-F176 VanDerWaalsContact CG2-CD1 3.48Å; T172-F176 HydrophobicContact CG2-CE1 4.13Å; T172-F176 HydrophobicContact CG2-CG 4.34Å; G173-F176 VanDerWaalsContact O-CD1 3.29Å; G173-F176 WeakPolarHBondContact O-CD1 3.05Å; I174-F176 HydrophobicContact CD1-CD1 3.56Å; I174-F176 HydrophobicContact CD1-CD2 4.37Å; I174-F176 HydrophobicContact CD1-CE1 3.19Å; I174-F176 HydrophobicContact CD1-CE2 4.05Å; I174-F176 HydrophobicContact CD1-CG 4.16Å; I174-F176 HydrophobicContact CD1-CZ 3.47Å; I174-F176 VanDerWaalsContact CD1-CZ 3.47Å; I174-F176 HydrophobicContact CG1-CE1 4.37Å; F176-E178 VanDerWaalsContact C-N 3.32Å
177	G	89.8	Confident	96.2	Very high	8 Å²	8	25.4 Å²	25.4	8%	0.082	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	-17.8	-177.1	0	0	0	0	0	114.8	T172 P175 N180 T226	T172-G177 PolarHBondContact OG1-N 3.37Å; P175-G177 PolarHBondContact O-N 3.25Å; G177-N180 WeakPolarHBondContact CA-OD1 3.37Å; G177-N180 PolarHBondContact O-ND2 2.82Å; G177-T226 WeakPolarHBondContact CA-O 3.44Å
178	E	92.2	Very high	96.2	Very high	111 Å²	111	26.3 Å²	26.3	52%	0.519	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-38.3	-176.9	-67.3	-63.6	135.1	0	0	113.1	P175 F176 Y228	P175-E178 HydrophobicContact CB-CG 3.84Å; P175-E178 HydrophobicContact CG-CG 4.15Å; P175-E178 WeakPolarHBondContact O-CB 3.19Å; P175-E178 PolarHBondContact O-N 2.86Å; F176-E178 VanDerWaalsContact C-N 3.32Å; E178-Y228 PolarHBondContact OE1-OH 3.39Å
179	S	95.3	Very high	96.1	Very high	56 Å²	56	26.8 Å²	26.8	39%	0.392	15%	0.151	S	C	.	.	S	Bend	trans	-125.4	114.5	171.3	-169.4	0	0	0	0	108.8	E153 T172 G173	E153-S179 WeakPolarHBondContact CG-O 3.11Å; E153-S179 PolarHBondContact OE1-OG 3.25Å; T172-S179 CarbonylContact C-O 3.52Å; T172-S179 VanDerWaalsContact CA-O 3.29Å; T172-S179 WeakPolarHBondContact CA-O 3.38Å; T172-S179 PolarHBondContact OG1-O 2.93Å; G173-S179 PolarHBondContact N-O 2.93Å
180	N	96.9	Very high	96	Very high	10 Å²	10	33.8 Å²	33.8	5%	0.053	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-121.5	143.6	178	-57.4	-29.6	0	0	0	110.8	G171 T172 G177 R206 T226	G171-N180 VanDerWaalsContact O-CA 3.27Å; G171-N180 WeakPolarHBondContact O-CA 3.39Å; T172-N180 WeakPolarHBondContact CB-OD1 3.25Å; T172-N180 PolarHBondContact OG1-OD1 3.45Å; G177-N180 WeakPolarHBondContact CA-OD1 3.37Å; G177-N180 PolarHBondContact O-ND2 2.82Å; N180-R206 HydrophobicContact CB-CB 3.84Å; N180-R206 PolarHBondContact ND2-O 2.78Å; N180-R206 WeakPolarHBondContact O-CB 3.14Å; N180-R206 WeakPolarHBondContact O-CD 3.28Å; N180-R206 WeakPolarHBondContact O-CG 3.33Å; N180-R206 PolarHBondContact O-NH1 3.11Å; N180-T226 PolarHBondContact ND2-O 2.89Å
181	G	95.2	Very high	95.9	Very high	6 Å²	6	41.3 Å²	41.3	6%	0.062	21%	0.209	C	C	.	.			trans	-81.3	152.4	177.5	0	0	0	0	0	111.7	G170 G171 I207	G170-G181 WeakPolarHBondContact CA-O 3.18Å; G171-G181 PolarHBondContact O-N 3.42Å; G181-I207 PolarHBondContact O-N 2.95Å
182	N	96.7	Very high	95.9	Very high	13 Å²	13	45.6 Å²	45.6	7%	0.07	23%	0.228	C	C	.	.			trans	-147.6	20.9	159.9	69.4	-14.2	0	0	0	112.4	F169 K203 P204 R206	F169-N182 VanDerWaalsContact CE2-C 3.47Å; F169-N182 HydrophobicContact CE2-CB 4.35Å; F169-N182 VanDerWaalsContact CE2-O 3.23Å; F169-N182 WeakPolarHBondContact CE2-O 3.42Å; F169-N182 HydrophobicContact CZ-CB 4.09Å; N182-K203 VanDerWaalsContact ND2-CE 3.31Å; N182-K203 WeakPolarHBondContact ND2-CE 3.48Å; N182-K203 PolarHBondContact OD1-NZ 2.76Å; N182-P204 WeakPolarHBondContact CB-O 3.46Å; N182-P204 PolarHBondContact ND2-O 2.95Å; N182-R206 HydrophobicContact CB-CG 4.13Å
183	D	97.2	Very high	95.9	Very high	56 Å²	56	53.2 Å²	53.2	30%	0.299	26%	0.257	S	S	.	.	S	Bend	trans	-97.9	154.1	173	-60.3	-46.2	0	0	0	110	L196 K203	D183-L196 HydrophobicContact CB-CD1 3.59Å; D183-K203 IonicContact OD1-NZ 2.74Å; D183-K203 PolarHBondContact OD1-NZ 3.19Å
184	V	98.3	Very high	96	Very high	2 Å²	2	53 Å²	53	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116	174.3	179.4	0	0	0	0	108.3	V168 F169 V186 L197 L237 W244	V168-V184 WeakPolarHBondContact O-CA 3.45Å; F169-V184 HydrophobicContact CD2-CG2 3.74Å; F169-V184 HydrophobicContact CE2-CG2 4.41Å; V184-V186 HydrophobicContact CG1-CG2 4.29Å; V184-L197 HydrophobicContact CB-CB 4.07Å; V184-L197 HydrophobicContact CB-CD2 4.27Å; V184-L197 HydrophobicContact CG1-CB 4.04Å; V184-L197 HydrophobicContact CG1-CD2 3.83Å; V184-L197 WeakPolarHBondContact O-CB 3.45Å; V184-L197 PolarHBondContact O-N 3.36Å; V184-L237 HydrophobicContact CG2-CD2 3.92Å; V184-W244 HydrophobicContact CG2-CZ2 3.69Å
185	H	98.6	Very high	96.2	Very high	24 Å²	24	51.6 Å²	51.6	11%	0.111	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138	173	-63.9	-100.7	0	0	0	109.6	Y149 P151 L167 V168 W194	Y149-H185 PolarHBondContact O-ND1 3.44Å; P151-H185 HydrophobicContact CG-CB 4.28Å; L167-H185 CarbonylContact C-O 3.47Å; L167-H185 WeakPolarHBondContact CA-O 3.25Å; V168-H185 HydrophobicContact CB-CB 4.33Å; V168-H185 PolarHBondContact N-O 2.87Å; V168-H185 PolarHBondContact O-N 2.8Å; H185-W194 HydrophobicContact CB-CE3 4.08Å; H185-W194 HydrophobicContact CB-CZ3 4.15Å
186	V	98.5	Very high	96.4	Very high	25 Å²	25	52.2 Å²	52.2	15%	0.152	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121	-179	-173.9	0	0	0	0	109.4	N165 L166 L167 V184 W194 A195 L197	N165-V186 HydrophobicContact CB-CG1 3.8Å; L166-V186 CarbonylContact O-C 3.55Å; L166-V186 VanDerWaalsContact O-CA 3.29Å; L166-V186 WeakPolarHBondContact O-CA 3.26Å; L167-V186 HydrophobicContact CD1-CG1 4.32Å; L167-V186 HydrophobicContact CG-CG2 4.23Å; V184-V186 HydrophobicContact CG1-CG2 4.29Å; V186-W194 CarbonylContact O-C 3.58Å; V186-W194 VanDerWaalsContact O-CA 3.28Å; V186-W194 WeakPolarHBondContact O-CA 3.35Å; V186-A195 PolarHBondContact N-O 3Å; V186-A195 PolarHBondContact O-N 3.36Å; V186-L197 HydrophobicContact CG2-CB 3.88Å; V186-L197 HydrophobicContact CG2-CD2 4.44Å
187	C	98.7	Very high	96.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.7	169.4	-174.3	0	0	0	0	110.1	N165 L166 V189 R193 W194	N165-C187 CarbonylContact C-O 3.59Å; N165-C187 WeakPolarHBondContact CA-O 3.39Å; L166-C187 HydrophobicContact CB-CB 4.13Å; L166-C187 HydrophobicContact CD1-CB 4.25Å; L166-C187 HydrophobicContact CG-CB 4.45Å; L166-C187 PolarHBondContact N-O 3.33Å; L166-C187 PolarHBondContact O-N 3.12Å; C187-V189 PolarHBondContact O-N 2.75Å; C187-R193 WeakPolarHBondContact CA-O 3.26Å; C187-W194 HydrophobicContact CB-CD2 3.49Å; C187-W194 VanDerWaalsContact CB-CD2 3.49Å; C187-W194 VanDerWaalsContact CB-CE2 3.45Å; C187-W194 HydrophobicContact CB-CE3 3.61Å; C187-W194 HydrophobicContact CB-CG 4.15Å; C187-W194 HydrophobicContact CB-CH2 3.7Å; C187-W194 HydrophobicContact CB-CZ2 3.57Å; C187-W194 HydrophobicContact CB-CZ3 3.71Å
188	N	98.4	Very high	97.1	Very high	27 Å²	27	54.6 Å²	54.6	14%	0.144	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.1	165.5	-171	-77.9	0	0	0	109.5	N164 N165 K190 Y191 K192 R193	N164-N188 CarbonylContact O-C 3.55Å; N164-N188 WeakPolarHBondContact O-CA 3.49Å; N165-N188 PolarHBondContact OD1-ND2 2.81Å; N188-K190 VanDerWaalsContact C-N 3.29Å; N188-K190 PolarHBondContact O-N 3.3Å; N188-K190 WeakPolarHBondContact OD1-CB 3.21Å; N188-K190 PolarHBondContact OD1-N 3.04Å; N188-K190 VanDerWaalsContact OD1-N 3.12Å; N188-Y191 HydrophobicContact CB-CD2 3.97Å; N188-Y191 PolarHBondContact O-N 3.47Å; N188-Y191 WeakPolarHBondContact OD1-CD2 3.31Å; N188-Y191 PolarHBondContact OD1-N 2.9Å; N188-K192 VanDerWaalsContact O-CA 3.31Å; N188-K192 WeakPolarHBondContact O-CA 3.35Å; N188-K192 PolarHBondContact O-N 2.87Å; N188-R193 PolarHBondContact N-O 2.98Å; N188-R193 PolarHBondContact O-N 3.04Å
189	V	97.3	Very high	97.4	Very high	12 Å²	12	51.5 Å²	51.5	7%	0.073	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-24.2	-174.1	-58.6	0	0	0	0	113.4	Y105 M144 N164 L166 C187	Y105-V189 HydrophobicContact CD1-CG1 4.2Å; Y105-V189 HydrophobicContact CE1-CB 3.97Å; Y105-V189 HydrophobicContact CE1-CG1 3.89Å; Y105-V189 HydrophobicContact CE1-CG2 4.38Å; M144-V189 HydrophobicContact CE-CB 4.4Å; N164-V189 HydrophobicContact CB-CG2 4.26Å; N164-V189 WeakPolarHBondContact O-CG2 3.04Å; N164-V189 PolarHBondContact O-N 3.02Å; L166-V189 HydrophobicContact CD1-CG1 3.71Å; L166-V189 HydrophobicContact CD2-CG1 4.13Å; L166-V189 HydrophobicContact CG-CG1 3.61Å; C187-V189 PolarHBondContact O-N 2.75Å
190	K	95.2	Very high	97.5	Very high	146 Å²	146	55 Å²	55	64%	0.635	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-46.8	176.4	-175.9	179.8	-179.7	-179.8	0	111.1	N188 K192	N188-K190 VanDerWaalsContact C-N 3.29Å; N188-K190 PolarHBondContact O-N 3.3Å; N188-K190 WeakPolarHBondContact OD1-CB 3.21Å; N188-K190 PolarHBondContact OD1-N 3.04Å; N188-K190 VanDerWaalsContact OD1-N 3.12Å; K190-K192 VanDerWaalsContact C-N 3.33Å
191	Y	96.7	Very high	97.5	Very high	164 Å²	164	57 Å²	57	64%	0.643	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-9.1	178.5	-54.4	-51.1	0	0	0	113.4	N188 R193	N188-Y191 HydrophobicContact CB-CD2 3.97Å; N188-Y191 PolarHBondContact O-N 3.47Å; N188-Y191 WeakPolarHBondContact OD1-CD2 3.31Å; N188-Y191 PolarHBondContact OD1-N 2.9Å; Y191-R193 PolarHBondContact O-N 3.19Å
192	K	97.5	Very high	97.6	Very high	90 Å²	90	62.1 Å²	62.1	39%	0.391	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	38.8	-178.8	-56.8	-178.9	-174.9	175	0	112.8	M144 T146 D147 N188 K190	M144-K192 HydrophobicContact CE-CG 4.03Å; T146-K192 CarbonylContact C-O 3.58Å; T146-K192 WeakPolarHBondContact CA-O 3.21Å; T146-K192 WeakPolarHBondContact CB-O 3.31Å; T146-K192 HydrophobicContact CG2-CB 4.08Å; D147-K192 PolarHBondContact N-O 3.5Å; N188-K192 VanDerWaalsContact O-CA 3.31Å; N188-K192 WeakPolarHBondContact O-CA 3.35Å; N188-K192 PolarHBondContact O-N 2.87Å; K190-K192 VanDerWaalsContact C-N 3.33Å
193	R	98.2	Very high	97.5	Very high	161 Å²	161	65.4 Å²	65.4	61%	0.608	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.3	-173.1	-177.6	159.2	-176.3	-128.2	2.8	112.3	D147 C187 N188 Y191	D147-R193 WeakPolarHBondContact OD1-CA 3.41Å; D147-R193 WeakPolarHBondContact OD1-CB 3.39Å; D147-R193 WeakPolarHBondContact OD1-CG 3.28Å; C187-R193 WeakPolarHBondContact CA-O 3.26Å; N188-R193 PolarHBondContact N-O 2.98Å; N188-R193 PolarHBondContact O-N 3.04Å; Y191-R193 PolarHBondContact O-N 3.19Å
194	W	98.6	Very high	97.4	Very high	1 Å²	1	62.8 Å²	62.8	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	138.9	172.4	-67.4	86.5	0	0	0	111.5	F107 L131 T146 D147 G148 Y149 M150 P151 V168 H185 V186 C187	F107-W194 HydrophobicContact CD1-CH2 4.2Å; F107-W194 AromaticContact CD2-CH2 3.93Å; F107-W194 HydrophobicContact CD2-CH2 3.93Å; F107-W194 AromaticContact CD2-CZ2 3.75Å; F107-W194 HydrophobicContact CD2-CZ2 3.75Å; F107-W194 AromaticContact CE1-CH2 3.92Å; F107-W194 HydrophobicContact CE1-CH2 3.92Å; F107-W194 AromaticContact CE2-CH2 3.64Å; F107-W194 HydrophobicContact CE2-CH2 3.64Å; F107-W194 AromaticContact CE2-CZ2 3.43Å; F107-W194 HydrophobicContact CE2-CZ2 3.43Å; F107-W194 VanDerWaalsContact CE2-CZ2 3.43Å; F107-W194 HydrophobicContact CG-CH2 4.2Å; F107-W194 HydrophobicContact CG-CZ2 4.44Å; F107-W194 AromaticContact CZ-CH2 3.64Å; F107-W194 HydrophobicContact CZ-CH2 3.64Å; F107-W194 AromaticContact CZ-CZ2 3.88Å; F107-W194 HydrophobicContact CZ-CZ2 3.88Å; F107-W194 HydrophobicContact CZ-CZ3 4.36Å; L131-W194 HydrophobicContact CD2-CZ2 4.44Å; T146-W194 PolarHBondContact OG1-NE1 2.86Å; T146-W194 VanDerWaalsContact OG1-NE1 3.11Å; D147-W194 WeakPolarHBondContact O-CB 3.39Å; D147-W194 PolarHBondContact O-N 3.44Å; G148-W194 WeakPolarHBondContact CA-O 3.23Å; Y149-W194 PolarHBondContact N-O 2.87Å; M150-W194 HydrophobicContact CB-CB 4.44Å; M150-W194 HydrophobicContact CB-CD2 4.13Å; M150-W194 HydrophobicContact CB-CG 3.95Å; M150-W194 HydrophobicContact CE-CZ2 4.39Å; M150-W194 VanDerWaalsContact CE-NE1 3.25Å; M150-W194 HydrophobicContact CG-CD2 4.1Å; M150-W194 HydrophobicContact CG-CG 4.39Å; M150-W194 HydrophobicContact CG-CZ2 4.29Å; P151-W194 HydrophobicContact CG-CZ3 4.47Å; V168-W194 HydrophobicContact CB-CZ3 4.4Å; V168-W194 HydrophobicContact CG2-CH2 3.9Å; V168-W194 HydrophobicContact CG2-CZ3 3.82Å; H185-W194 HydrophobicContact CB-CE3 4.08Å; H185-W194 HydrophobicContact CB-CZ3 4.15Å; V186-W194 CarbonylContact O-C 3.58Å; V186-W194 VanDerWaalsContact O-CA 3.28Å; V186-W194 WeakPolarHBondContact O-CA 3.35Å; C187-W194 HydrophobicContact CB-CD2 3.49Å; C187-W194 VanDerWaalsContact CB-CD2 3.49Å; C187-W194 VanDerWaalsContact CB-CE2 3.45Å; C187-W194 HydrophobicContact CB-CE3 3.61Å; C187-W194 HydrophobicContact CB-CG 4.15Å; C187-W194 HydrophobicContact CB-CH2 3.7Å; C187-W194 HydrophobicContact CB-CZ2 3.57Å; C187-W194 HydrophobicContact CB-CZ3 3.71Å
195	A	98.2	Very high	97.2	Very high	46 Å²	46	66.6 Å²	66.6	38%	0.38	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.9	171.8	0	0	0	0	0	110.3	V186	V186-A195 PolarHBondContact N-O 3Å; V186-A195 PolarHBondContact O-N 3.36Å
196	L	97.9	Very high	97.2	Very high	78 Å²	78	71.6 Å²	71.6	41%	0.408	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	125.4	164.6	-168.2	68.6	0	0	0	108.2	D183 S198	D183-L196 HydrophobicContact CB-CD1 3.59Å; L196-S198 PolarHBondContact O-N 3.44Å
197	L	97.4	Very high	97.1	Very high	29 Å²	29	70.9 Å²	70.9	15%	0.152	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	105	170.9	-175.8	69.1	0	0	0	108.4	V184 V186 C199 L237 R242	V184-L197 HydrophobicContact CB-CB 4.07Å; V184-L197 HydrophobicContact CB-CD2 4.27Å; V184-L197 HydrophobicContact CG1-CB 4.04Å; V184-L197 HydrophobicContact CG1-CD2 3.83Å; V184-L197 WeakPolarHBondContact O-CB 3.45Å; V184-L197 PolarHBondContact O-N 3.36Å; V186-L197 HydrophobicContact CG2-CB 3.88Å; V186-L197 HydrophobicContact CG2-CD2 4.44Å; L197-C199 PolarHBondContact O-N 3.03Å; L197-C199 VanDerWaalsContact O-N 3.13Å; L197-C199 PolarHBondContact O-SG 3.24Å; L197-C199 VanDerWaalsContact O-SG 3.35Å; L197-L237 HydrophobicContact CD2-CD2 4.2Å; L197-R242 HydrophobicContact CD1-CG 4.36Å
198	S	97	Very high	97	Very high	90 Å²	90	72 Å²	72	63%	0.629	35%	0.354	S	S	*	.			trans	-63.7	114.5	173.4	-55.5	0	0	0	0	109.8	L196	L196-S198 PolarHBondContact O-N 3.44Å
199	C	97.7	Very high	97	Very high	45 Å²	45	70.8 Å²	70.8	30%	0.304	35%	0.348	S	S	.	.			trans	-117.7	150.2	177.1	-56.9	0	0	0	0	110.3	L197 L237 R242 W244	L197-C199 PolarHBondContact O-N 3.03Å; L197-C199 VanDerWaalsContact O-N 3.13Å; L197-C199 PolarHBondContact O-SG 3.24Å; L197-C199 VanDerWaalsContact O-SG 3.35Å; C199-L237 HydrophobicContact CB-CD1 4.16Å; C199-R242 CarbonylContact C-O 3.58Å; C199-R242 VanDerWaalsContact CA-O 3.25Å; C199-R242 WeakPolarHBondContact CA-O 3.41Å; C199-W244 VanDerWaalsContact CB-CD1 3.47Å
200	R	97.6	Very high	97	Very high	131 Å²	131	70.4 Å²	70.4	49%	0.494	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-176.6	170.9	67.7	173.9	-177.9	-75.7	-7.9	110.6	T241 R242 E243 W244	R200-T241 PolarHBondContact NH1-O 2.87Å; R200-T241 PolarHBondContact NH2-O 2.95Å; R200-R242 PolarHBondContact N-O 2.88Å; R200-E243 HydrophobicContact CG-CB 4.13Å; R200-E243 HydrophobicContact CG-CG 4.1Å; R200-E243 IonicContact CZ-OE2 2.68Å; R200-E243 VanDerWaalsContact CZ-OE2 3.25Å; R200-E243 IonicContact NE-OE2 3.9Å; R200-E243 PolarHBondContact NE-OE2 2.83Å; R200-E243 IonicContact NH2-OE2 3.25Å; R200-E243 PolarHBondContact NH2-OE2 3.06Å; R200-W244 PolarHBondContact O-N 3.21Å
201	G	97.8	Very high	97.2	Very high	50 Å²	50	63.5 Å²	63.5	52%	0.515	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	82.4	-164.1	176.6	0	0	0	0	0	113.2	K203 W244	G201-K203 PolarHBondContact O-N 2.96Å; G201-W244 CarbonylContact C-O 3.53Å; G201-W244 WeakPolarHBondContact CA-O 3.49Å
202	K	96.9	Very high	97.2	Very high	115 Å²	115	56.1 Å²	56.1	50%	0.5	29%	0.287	S	S	.	.			trans	-88.6	84.7	-173.3	-170	172.7	-174	-178.3	0	110.8	H235 W244 Q246	K202-H235 PolarHBondContact O-CD2 3.01Å; K202-H235 VanDerWaalsContact O-CD2 3.3Å; K202-W244 VanDerWaalsContact C-CB 3.49Å; K202-W244 PolarHBondContact N-O 3.47Å; K202-W244 WeakPolarHBondContact O-CB 3.42Å; K202-Q246 HydrophobicContact CD-CB 3.87Å; K202-Q246 HydrophobicContact CG-CB 4.31Å
203	K	95	Very high	97.2	Very high	81 Å²	81	52.3 Å²	52.3	35%	0.352	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-72.5	155.9	177	68.1	169	172.1	166.3	0	112.5	N182 D183 G201 W244	N182-K203 VanDerWaalsContact ND2-CE 3.31Å; N182-K203 WeakPolarHBondContact ND2-CE 3.48Å; N182-K203 PolarHBondContact OD1-NZ 2.76Å; D183-K203 IonicContact OD1-NZ 2.74Å; D183-K203 PolarHBondContact OD1-NZ 3.19Å; G201-K203 PolarHBondContact O-N 2.96Å; K203-W244 HydrophobicContact CB-CB 4.22Å; K203-W244 HydrophobicContact CB-CD2 4.24Å; K203-W244 HydrophobicContact CB-CG 3.77Å
204	P	95	Very high	97.2	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-57.7	154.9	174	-18.4	27.4	0	0	0	112.5	F169 N182 I207 H235 W244	F169-P204 HydrophobicContact CE1-CB 4.25Å; F169-P204 HydrophobicContact CE1-CG 4.02Å; F169-P204 HydrophobicContact CE2-CG 4.37Å; F169-P204 HydrophobicContact CZ-CB 3.82Å; F169-P204 HydrophobicContact CZ-CG 3.52Å; N182-P204 WeakPolarHBondContact CB-O 3.46Å; N182-P204 PolarHBondContact ND2-O 2.95Å; P204-I207 HydrophobicContact CB-CD1 4.31Å; P204-H235 HydrophobicContact CG-CB 3.71Å; P204-W244 HydrophobicContact CG-CE3 4.47Å; P204-W244 HydrophobicContact CG-CH2 4.43Å; P204-W244 HydrophobicContact CG-CZ3 4.22Å
205	S	94.1	Very high	97.2	Very high	82 Å²	82	46.4 Å²	46.4	57%	0.573	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-59.2	164.4	165.9	-69.5	0	0	0	0	111.3	I207	S205-I207 WeakPolarHBondContact O-CG1 3.34Å; S205-I207 PolarHBondContact O-N 2.84Å; S205-I207 VanDerWaalsContact O-N 3.09Å
206	R	96.8	Very high	97.1	Very high	130 Å²	130	50.7 Å²	50.7	49%	0.491	27%	0.269	S	S	.	.	S	Bend	trans	-67.5	103.8	176.2	-66.4	-178.3	176.1	-78.5	-3.3	110.7	N180 N182	N180-R206 HydrophobicContact CB-CB 3.84Å; N180-R206 PolarHBondContact ND2-O 2.78Å; N180-R206 WeakPolarHBondContact O-CB 3.14Å; N180-R206 WeakPolarHBondContact O-CD 3.28Å; N180-R206 WeakPolarHBondContact O-CG 3.33Å; N180-R206 PolarHBondContact O-NH1 3.11Å; N182-R206 HydrophobicContact CB-CG 4.13Å
207	I	96.4	Very high	97	Very high	9 Å²	9	49 Å²	49	5%	0.046	27%	0.27	C	S	.	.			trans	-139	161.9	-170.6	64.1	-175.7	0	0	0	112.7	G170 G171 G181 P204 S205 Q210 G223 T225 T226	G170-I207 WeakPolarHBondContact CA-O 3.38Å; G171-I207 PolarHBondContact N-O 2.73Å; G181-I207 PolarHBondContact O-N 2.95Å; P204-I207 HydrophobicContact CB-CD1 4.31Å; S205-I207 WeakPolarHBondContact O-CG1 3.34Å; S205-I207 PolarHBondContact O-N 2.84Å; S205-I207 VanDerWaalsContact O-N 3.09Å; I207-Q210 HydrophobicContact CD1-CB 4.28Å; I207-G223 VanDerWaalsContact CD1-O 3.26Å; I207-G223 WeakPolarHBondContact CD1-O 3.4Å; I207-T225 CarbonylContact C-O 3.59Å; I207-T225 VanDerWaalsContact CA-O 3.27Å; I207-T225 WeakPolarHBondContact CA-O 3.35Å; I207-T225 WeakPolarHBondContact CB-O 3.44Å; I207-T226 HydrophobicContact CG2-CG2 4.13Å
208	Y	97.8	Very high	97.1	Very high	24 Å²	24	47.9 Å²	47.9	9%	0.094	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-135.3	157	171.4	68.9	-80.7	0	0	0	111.1	G171 T172 Q210 G224 T225	G171-Y208 VanDerWaalsContact C-CB 3.48Å; T172-Y208 HydrophobicContact CG2-CD1 4.11Å; T172-Y208 HydrophobicContact CG2-CD2 3.68Å; T172-Y208 HydrophobicContact CG2-CE1 4.49Å; T172-Y208 HydrophobicContact CG2-CE2 4.13Å; T172-Y208 HydrophobicContact CG2-CG 3.7Å; Y208-Q210 VanDerWaalsContact C-N 3.35Å; Y208-G224 CarbonylContact O-C 3.5Å; Y208-G224 WeakPolarHBondContact O-CA 3.44Å; Y208-T225 HydrophobicContact CD1-CG2 4.12Å; Y208-T225 VanDerWaalsContact CD1-O 3.22Å; Y208-T225 WeakPolarHBondContact CD1-O 3.12Å; Y208-T225 HydrophobicContact CD2-CG2 4.25Å; Y208-T225 HydrophobicContact CE1-CG2 3.71Å; Y208-T225 HydrophobicContact CE2-CG2 3.83Å; Y208-T225 HydrophobicContact CG-CG2 4.37Å; Y208-T225 PolarHBondContact N-O 2.74Å; Y208-T225 PolarHBondContact O-N 3.16Å
209	G	97.7	Very high	97.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	24%	0.235	C	C	.	.	S	Bend	trans	78.2	13.5	-178	0	0	0	0	0	117.2	S156 Y261 R262	S156-G209 PolarHBondContact O-N 2.96Å; G209-Y261 WeakPolarHBondContact O-CA 3.4Å; G209-R262 PolarHBondContact O-N 3.13Å
210	Q	98.1	Very high	97.2	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.019	22%	0.223	C	C	.	.			trans	-64.9	159.9	164.5	70.7	-73.3	-2.9	0	0	111.8	S158 F169 I207 Y208 V221 F222 G223	S158-Q210 PolarHBondContact OG-O 3.43Å; F169-Q210 HydrophobicContact CD1-CG 4.22Å; F169-Q210 PolarHBondContact O-NE2 2.74Å; I207-Q210 HydrophobicContact CD1-CB 4.28Å; Y208-Q210 VanDerWaalsContact C-N 3.35Å; Q210-V221 HydrophobicContact CB-CG1 3.84Å; Q210-V221 HydrophobicContact CG-CG1 3.65Å; Q210-F222 WeakPolarHBondContact CA-O 3.36Å; Q210-G223 WeakPolarHBondContact CA-O 3.35Å; Q210-G223 WeakPolarHBondContact CB-O 3.28Å
211	A	97.8	Very high	97.2	Very high	1 Å²	1	36 Å²	36	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	154.1	165.7	0	0	0	0	0	109.9	V221 F222 I265	A211-V221 WeakPolarHBondContact O-CA 3.47Å; A211-F222 PolarHBondContact N-O 3.3Å; A211-F222 PolarHBondContact O-N 2.95Å; A211-I265 HydrophobicContact CB-CB 3.74Å; A211-I265 HydrophobicContact CB-CG2 3.89Å
212	M	97.8	Very high	97.2	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.049	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	136.8	-172.3	-172.2	169.5	75.8	0	0	112.2	V160 L167 F169 L219 Y220 V221 I265	V160-M212 HydrophobicContact CB-CE 4.21Å; V160-M212 HydrophobicContact CG1-CB 4.4Å; V160-M212 HydrophobicContact CG1-CE 3.77Å; V160-M212 HydrophobicContact CG1-CG 4.15Å; V160-M212 HydrophobicContact CG2-CE 3.83Å; L167-M212 WeakPolarHBondContact O-CE 3.37Å; F169-M212 HydrophobicContact CB-CE 4.43Å; F169-M212 HydrophobicContact CB-SD 3.68Å; M212-L219 HydrophobicContact CE-CD1 4.25Å; M212-L219 HydrophobicContact CG-CD1 3.47Å; M212-L219 VanDerWaalsContact CG-CD1 3.47Å; M212-L219 HydrophobicContact CG-CD2 4.4Å; M212-L219 HydrophobicContact CG-CG 3.9Å; M212-L219 HydrophobicContact SD-CD1 3.68Å; M212-L219 HydrophobicContact SD-CD2 3.76Å; M212-L219 HydrophobicContact SD-CG 3.94Å; M212-Y220 VanDerWaalsContact CA-O 3.23Å; M212-Y220 WeakPolarHBondContact CA-O 3.46Å; M212-Y220 WeakPolarHBondContact CG-O 3.44Å; M212-V221 HydrophobicContact CB-CG2 4.45Å; M212-V221 HydrophobicContact CG-CG2 3.92Å; M212-V221 HydrophobicContact SD-CG2 3.97Å; M212-I265 WeakPolarHBondContact O-CG2 3.43Å
213	A	98.2	Very high	97.2	Very high	10 Å²	10	28.1 Å²	28.1	8%	0.083	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.5	177.6	0	0	0	0	0	111.2	I215 L219 Y220 I265	A213-I215 HydrophobicContact CB-CG1 4.41Å; A213-L219 WeakPolarHBondContact O-CA 3.2Å; A213-Y220 PolarHBondContact N-O 3.13Å; A213-Y220 VanDerWaalsContact N-O 3.1Å; A213-Y220 PolarHBondContact O-N 2.65Å; A213-I265 HydrophobicContact CB-CD1 4.07Å; A213-I265 HydrophobicContact CB-CG1 4.33Å; A213-I265 HydrophobicContact CB-CG2 4Å
214	I	98.2	Very high	97.3	Very high	35 Å²	35	24.3 Å²	24.3	18%	0.179	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.6	170.1	-67.2	172.9	0	0	0	108.5	V160 H162 L167 S218 L219 L239	V160-I214 HydrophobicContact CB-CD1 4.47Å; V160-I214 HydrophobicContact CG2-CD1 3.59Å; V160-I214 HydrophobicContact CG2-CG1 3.91Å; H162-I214 HydrophobicContact CB-CD1 3.63Å; L167-I214 HydrophobicContact CD2-CD1 4.44Å; I214-S218 CarbonylContact C-O 3.56Å; I214-S218 VanDerWaalsContact CA-O 3.3Å; I214-S218 WeakPolarHBondContact CA-O 3.23Å; I214-L219 HydrophobicContact CD1-CD1 4.25Å; I214-L219 HydrophobicContact CG1-CD1 3.56Å; I214-L239 HydrophobicContact CD1-CD1 4.05Å; I214-L239 HydrophobicContact CG1-CD1 4.3Å; I214-L239 HydrophobicContact CG2-CD1 4.25Å
215	I	98	Very high	97.4	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.015	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	124.7	-178.9	-49.8	172.2	0	0	0	107.4	A213 G217 S218 Y220 H267 I272 L294	A213-I215 HydrophobicContact CB-CG1 4.41Å; I215-G217 VanDerWaalsContact C-N 3.3Å; I215-G217 PolarHBondContact O-N 3.36Å; I215-S218 PolarHBondContact N-O 3.49Å; I215-S218 PolarHBondContact O-N 2.98Å; I215-Y220 HydrophobicContact CB-CD2 4Å; I215-Y220 HydrophobicContact CB-CE2 3.81Å; I215-Y220 HydrophobicContact CD1-CD2 4.06Å; I215-Y220 HydrophobicContact CD1-CE2 4.41Å; I215-Y220 HydrophobicContact CG1-CD2 4.12Å; I215-Y220 HydrophobicContact CG1-CE2 4.41Å; I215-H267 HydrophobicContact CD1-CB 3.55Å; I215-H267 HydrophobicContact CG1-CB 4.17Å; I215-I272 HydrophobicContact CD1-CD1 3.88Å; I215-I272 HydrophobicContact CD1-CG1 3.47Å; I215-I272 VanDerWaalsContact CD1-CG1 3.47Å; I215-L294 HydrophobicContact CG2-CD1 4.12Å
216	N	96	Very high	97.5	Very high	136 Å²	136	22.1 Å²	22.1	73%	0.727	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	48	47.3	175.4	-56	-24.1	0	0	0	113.7	S218 G269	N216-S218 VanDerWaalsContact C-N 3.27Å; N216-S218 PolarHBondContact O-N 2.8Å; N216-G269 PolarHBondContact ND2-O 3.09Å
217	G	96.4	Very high	97.2	Very high	41 Å²	41	17.5 Å²	17.5	42%	0.423	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	5.8	178.5	0	0	0	0	0	115.5	I215 L239	I215-G217 VanDerWaalsContact C-N 3.3Å; I215-G217 PolarHBondContact O-N 3.36Å; G217-L239 VanDerWaalsContact O-CB 3.3Å; G217-L239 WeakPolarHBondContact O-CB 3.39Å; G217-L239 WeakPolarHBondContact O-CG 3.27Å; G217-L239 PolarHBondContact O-N 3.09Å
218	S	98.5	Very high	97	Very high	6 Å²	6	25.2 Å²	25.2	4%	0.042	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.8	177.9	-60.8	0	0	0	0	111.7	I214 I215 N216 K236 L237	I214-S218 CarbonylContact C-O 3.56Å; I214-S218 VanDerWaalsContact CA-O 3.3Å; I214-S218 WeakPolarHBondContact CA-O 3.23Å; I215-S218 PolarHBondContact N-O 3.49Å; I215-S218 PolarHBondContact O-N 2.98Å; N216-S218 VanDerWaalsContact C-N 3.27Å; N216-S218 PolarHBondContact O-N 2.8Å; S218-K236 VanDerWaalsContact CB-CE 3.43Å; S218-K236 WeakPolarHBondContact OG-CE 3.29Å; S218-L237 CarbonylContact C-O 3.49Å; S218-L237 VanDerWaalsContact CA-O 3.27Å; S218-L237 WeakPolarHBondContact CA-O 3.46Å
219	L	98.5	Very high	96.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.9	173.4	-175.8	77	0	0	0	109.2	V160 M212 A213 I214 K236 L237 L239 W244	V160-L219 HydrophobicContact CG2-CD1 3.81Å; M212-L219 HydrophobicContact CE-CD1 4.25Å; M212-L219 HydrophobicContact CG-CD1 3.47Å; M212-L219 VanDerWaalsContact CG-CD1 3.47Å; M212-L219 HydrophobicContact CG-CD2 4.4Å; M212-L219 HydrophobicContact CG-CG 3.9Å; M212-L219 HydrophobicContact SD-CD1 3.68Å; M212-L219 HydrophobicContact SD-CD2 3.76Å; M212-L219 HydrophobicContact SD-CG 3.94Å; A213-L219 WeakPolarHBondContact O-CA 3.2Å; I214-L219 HydrophobicContact CD1-CD1 4.25Å; I214-L219 HydrophobicContact CG1-CD1 3.56Å; L219-K236 CarbonylContact O-C 3.53Å; L219-K236 WeakPolarHBondContact O-CA 3.35Å; L219-L237 HydrophobicContact CB-CB 4.19Å; L219-L237 HydrophobicContact CD2-CD2 4.27Å; L219-L237 PolarHBondContact N-O 2.91Å; L219-L237 PolarHBondContact O-N 3.08Å; L219-L239 HydrophobicContact CB-CD2 4.07Å; L219-L239 HydrophobicContact CB-CG 4.4Å; L219-W244 HydrophobicContact CD2-CH2 4.25Å
220	Y	98.6	Very high	96.8	Very high	15 Å²	15	30.7 Å²	30.7	6%	0.059	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.2	176.9	-69.1	-97.4	0	0	0	110	M212 A213 I215 L234 H235 K236 L247 I272 L294	M212-Y220 VanDerWaalsContact CA-O 3.23Å; M212-Y220 WeakPolarHBondContact CA-O 3.46Å; M212-Y220 WeakPolarHBondContact CG-O 3.44Å; A213-Y220 PolarHBondContact N-O 3.13Å; A213-Y220 VanDerWaalsContact N-O 3.1Å; A213-Y220 PolarHBondContact O-N 2.65Å; I215-Y220 HydrophobicContact CB-CD2 4Å; I215-Y220 HydrophobicContact CB-CE2 3.81Å; I215-Y220 HydrophobicContact CD1-CD2 4.06Å; I215-Y220 HydrophobicContact CD1-CE2 4.41Å; I215-Y220 HydrophobicContact CG1-CD2 4.12Å; I215-Y220 HydrophobicContact CG1-CE2 4.41Å; Y220-L234 HydrophobicContact CD1-CD1 4.25Å; Y220-H235 CarbonylContact C-O 3.53Å; Y220-H235 WeakPolarHBondContact CA-O 3.11Å; Y220-K236 HydrophobicContact CD1-CB 4.16Å; Y220-K236 HydrophobicContact CD1-CG 4.37Å; Y220-K236 HydrophobicContact CE1-CB 3.96Å; Y220-K236 HydrophobicContact CE1-CD 4.13Å; Y220-K236 HydrophobicContact CE1-CG 3.88Å; Y220-K236 HydrophobicContact CE2-CG 4.37Å; Y220-L247 HydrophobicContact CD1-CD1 4.26Å; Y220-L247 HydrophobicContact CE1-CD1 3.8Å; Y220-I272 HydrophobicContact CD1-CD1 3.44Å; Y220-I272 VanDerWaalsContact CD1-CD1 3.44Å; Y220-I272 HydrophobicContact CD2-CD1 4.33Å; Y220-I272 HydrophobicContact CE1-CD1 3.98Å; Y220-I272 HydrophobicContact CG-CD1 3.62Å; Y220-L294 HydrophobicContact CD1-CD2 4.36Å; Y220-L294 HydrophobicContact CE1-CD2 3.51Å
221	V	98.3	Very high	96.7	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.1	178.2	177.8	0	0	0	0	109	F169 Q210 A211 M212 H235 W244	F169-V221 HydrophobicContact CD1-CG1 3.95Å; F169-V221 HydrophobicContact CD1-CG2 4.02Å; F169-V221 HydrophobicContact CE1-CG1 3.81Å; F169-V221 HydrophobicContact CE1-CG2 4.37Å; F169-V221 HydrophobicContact CG-CG2 4.41Å; Q210-V221 HydrophobicContact CB-CG1 3.84Å; Q210-V221 HydrophobicContact CG-CG1 3.65Å; A211-V221 WeakPolarHBondContact O-CA 3.47Å; M212-V221 HydrophobicContact CB-CG2 4.45Å; M212-V221 HydrophobicContact CG-CG2 3.92Å; M212-V221 HydrophobicContact SD-CG2 3.97Å; V221-H235 PolarHBondContact N-O 3.17Å; V221-H235 PolarHBondContact O-N 2.85Å; V221-W244 HydrophobicContact CB-CH2 4.46Å; V221-W244 HydrophobicContact CG2-CH2 3.76Å; V221-W244 HydrophobicContact CG2-CZ3 4.22Å
222	F	98.1	Very high	96.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.8	-177.6	177.1	-101.8	0	0	0	112.8	Q210 A211 T232 D233 L234 P257 R260 H263 I274 W299	Q210-F222 WeakPolarHBondContact CA-O 3.36Å; A211-F222 PolarHBondContact N-O 3.3Å; A211-F222 PolarHBondContact O-N 2.95Å; F222-T232 WeakPolarHBondContact CE2-O 3.33Å; F222-D233 WeakPolarHBondContact CA-O 3.47Å; F222-L234 HydrophobicContact CB-CD1 3.91Å; F222-L234 HydrophobicContact CD2-CB 4.19Å; F222-L234 HydrophobicContact CD2-CD1 4.37Å; F222-P257 HydrophobicContact CE2-CG 4.03Å; F222-P257 HydrophobicContact CZ-CB 4.17Å; F222-P257 HydrophobicContact CZ-CG 3.69Å; F222-R260 HydrophobicContact CE1-CG 4.26Å; F222-H263 AromaticContact CD1-CD2 3.69Å; F222-H263 AromaticContact CD1-NE2 3.29Å; F222-H263 VanDerWaalsContact CD1-NE2 3.29Å; F222-H263 WeakPolarHBondContact CD1-NE2 3.46Å; F222-H263 AromaticContact CE1-NE2 3.84Å; F222-H263 PolarHBondContact O-CE1 3.35Å; F222-H263 PolarHBondContact O-NE2 2.82Å; F222-I274 HydrophobicContact CB-CD1 4.21Å; F222-I274 HydrophobicContact CD1-CD1 3.31Å; F222-I274 HydrophobicContact CD1-CG1 3.76Å; F222-I274 HydrophobicContact CD1-CG2 4.19Å; F222-I274 HydrophobicContact CE1-CB 4.37Å; F222-I274 HydrophobicContact CE1-CD1 3.85Å; F222-I274 HydrophobicContact CE1-CG1 3.72Å; F222-I274 HydrophobicContact CE1-CG2 3.78Å; F222-I274 HydrophobicContact CG-CD1 3.82Å; F222-I274 HydrophobicContact CG-CG1 4.42Å; F222-I274 HydrophobicContact CZ-CG1 4.31Å; F222-W299 AromaticContact CD2-CH2 3.73Å; F222-W299 HydrophobicContact CD2-CH2 3.73Å; F222-W299 AromaticContact CD2-CZ2 3.65Å; F222-W299 HydrophobicContact CD2-CZ2 3.65Å; F222-W299 AromaticContact CE2-CH2 3.46Å; F222-W299 HydrophobicContact CE2-CH2 3.46Å; F222-W299 VanDerWaalsContact CE2-CH2 3.46Å; F222-W299 AromaticContact CE2-CZ2 3.24Å; F222-W299 HydrophobicContact CE2-CZ2 3.24Å; F222-W299 HydrophobicContact CG-CH2 4.35Å; F222-W299 AromaticContact CZ-CH2 3.93Å; F222-W299 HydrophobicContact CZ-CH2 3.93Å; F222-W299 HydrophobicContact CZ-CZ2 4.03Å
223	G	96.8	Very high	96.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.5	-158.1	170.2	0	0	0	0	0	114	I207 Q210 S231 D233	I207-G223 VanDerWaalsContact CD1-O 3.26Å; I207-G223 WeakPolarHBondContact CD1-O 3.4Å; Q210-G223 WeakPolarHBondContact CA-O 3.35Å; Q210-G223 WeakPolarHBondContact CB-O 3.28Å; G223-S231 WeakPolarHBondContact CA-O 3.16Å; G223-D233 PolarHBondContact N-O 3.1Å
224	G	97.3	Very high	96.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	112.6	-166.6	-174.1	0	0	0	0	0	111.5	Y208 Y230 S231 R260	Y208-G224 CarbonylContact O-C 3.5Å; Y208-G224 WeakPolarHBondContact O-CA 3.44Å; G224-Y230 CarbonylContact O-C 3.54Å; G224-Y230 WeakPolarHBondContact O-CA 3.34Å; G224-S231 PolarHBondContact O-N 2.87Å; G224-R260 WeakPolarHBondContact CA-O 3.45Å; G224-R260 PolarHBondContact N-O 2.89Å
225	T	97.1	Very high	96.4	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	150.9	-178.4	179.8	0	0	0	0	111.8	I207 Y208 G227 I229 Y230 Y261	I207-T225 CarbonylContact C-O 3.59Å; I207-T225 VanDerWaalsContact CA-O 3.27Å; I207-T225 WeakPolarHBondContact CA-O 3.35Å; I207-T225 WeakPolarHBondContact CB-O 3.44Å; Y208-T225 HydrophobicContact CD1-CG2 4.12Å; Y208-T225 VanDerWaalsContact CD1-O 3.22Å; Y208-T225 WeakPolarHBondContact CD1-O 3.12Å; Y208-T225 HydrophobicContact CD2-CG2 4.25Å; Y208-T225 HydrophobicContact CE1-CG2 3.71Å; Y208-T225 HydrophobicContact CE2-CG2 3.83Å; Y208-T225 HydrophobicContact CG-CG2 4.37Å; Y208-T225 PolarHBondContact N-O 2.74Å; Y208-T225 PolarHBondContact O-N 3.16Å; T225-G227 PolarHBondContact OG1-N 2.96Å; T225-I229 VanDerWaalsContact CA-O 3.25Å; T225-I229 WeakPolarHBondContact CA-O 3.42Å; T225-I229 WeakPolarHBondContact CB-O 3.44Å; T225-I229 PolarHBondContact OG1-O 2.74Å; T225-Y230 HydrophobicContact CG2-CD1 4.49Å; T225-Y230 HydrophobicContact CG2-CE1 4.47Å; T225-Y261 HydrophobicContact CG2-CD2 3.93Å; T225-Y261 HydrophobicContact CG2-CG 4.1Å
226	T	94.6	Very high	96.4	Very high	36 Å²	36	37.1 Å²	37.1	22%	0.221	20%	0.202	C	C	.	.			trans	-78.4	-11.6	166.5	61.7	0	0	0	0	112.3	G177 N180 I207 Y228 I229	G177-T226 WeakPolarHBondContact CA-O 3.44Å; N180-T226 PolarHBondContact ND2-O 2.89Å; I207-T226 HydrophobicContact CG2-CG2 4.13Å; T226-Y228 PolarHBondContact OG1-N 3.35Å; T226-I229 HydrophobicContact CG2-CG1 4.01Å; T226-I229 PolarHBondContact N-O 3.38Å; T226-I229 WeakPolarHBondContact OG1-CG1 3.38Å; T226-I229 PolarHBondContact OG1-N 2.96Å; T226-I229 VanDerWaalsContact OG1-N 3.16Å; T226-I229 PolarHBondContact OG1-O 3.1Å
227	G	92.4	Very high	96.5	Very high	33 Å²	33	30.6 Å²	30.6	34%	0.34	17%	0.167	S	C	.	.	S	Bend	trans	101.5	-20.6	-165.6	0	0	0	0	0	112.9	T225	T225-G227 PolarHBondContact OG1-N 2.96Å
228	Y	91.9	Very high	96.6	Very high	170 Å²	170	31 Å²	31	67%	0.667	16%	0.159	S	C	*	.	S	Bend	trans	-115.1	-42.1	-179.5	-60.1	-80.7	0	0	0	112.2	E178 T226	E178-Y228 PolarHBondContact OE1-OH 3.39Å; T226-Y228 PolarHBondContact OG1-N 3.35Å
229	I	94.6	Very high	96.6	Very high	113 Å²	113	32.5 Å²	32.5	58%	0.579	17%	0.167	S	C	*	.	S	Bend	trans	-124.5	152	178.5	59.1	169.6	0	0	0	110	T225 T226	T225-I229 VanDerWaalsContact CA-O 3.25Å; T225-I229 WeakPolarHBondContact CA-O 3.42Å; T225-I229 WeakPolarHBondContact CB-O 3.44Å; T225-I229 PolarHBondContact OG1-O 2.74Å; T226-I229 HydrophobicContact CG2-CG1 4.01Å; T226-I229 PolarHBondContact N-O 3.38Å; T226-I229 WeakPolarHBondContact OG1-CG1 3.38Å; T226-I229 PolarHBondContact OG1-N 2.96Å; T226-I229 VanDerWaalsContact OG1-N 3.16Å; T226-I229 PolarHBondContact OG1-O 3.1Å
230	Y	96.3	Very high	96.5	Very high	28 Å²	28	39.4 Å²	39.4	11%	0.11	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	154.4	174.1	-55.7	-85.4	0	0	0	109.1	G224 T225 E259 Y261 T279 S280 W281	G224-Y230 CarbonylContact O-C 3.54Å; G224-Y230 WeakPolarHBondContact O-CA 3.34Å; T225-Y230 HydrophobicContact CG2-CD1 4.49Å; T225-Y230 HydrophobicContact CG2-CE1 4.47Å; Y230-E259 HydrophobicContact CD2-CG 4.37Å; Y230-E259 HydrophobicContact CG-CG 4.42Å; Y230-Y261 HydrophobicContact CD1-CD1 4.11Å; Y230-Y261 HydrophobicContact CD1-CG 4.42Å; Y230-Y261 AromaticContact CE1-CD1 3.69Å; Y230-Y261 HydrophobicContact CE1-CD1 3.69Å; Y230-Y261 HydrophobicContact CE1-CE1 4.17Å; Y230-Y261 HydrophobicContact CE1-CG 4.21Å; Y230-T279 HydrophobicContact CD2-CG2 4.13Å; Y230-T279 HydrophobicContact CE2-CG2 3.99Å; Y230-S280 VanDerWaalsContact OH-CB 3.28Å; Y230-S280 WeakPolarHBondContact OH-CB 3.42Å; Y230-S280 PolarHBondContact OH-N 2.84Å; Y230-S280 PolarHBondContact OH-OG 3.19Å; Y230-W281 HydrophobicContact CE2-CH2 4.17Å
231	S	94.8	Very high	96.5	Very high	18 Å²	18	41.2 Å²	41.2	13%	0.126	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	150.2	179.9	177.6	0	0	0	0	110.5	G223 G224 D233	G223-S231 WeakPolarHBondContact CA-O 3.16Å; G224-S231 PolarHBondContact O-N 2.87Å; S231-D233 WeakPolarHBondContact OG-CB 3.04Å; S231-D233 PolarHBondContact OG-N 2.83Å; S231-D233 PolarHBondContact OG-OD2 2.8Å; S231-D233 VanDerWaalsContact OG-OD2 3.14Å
232	T	94.1	Very high	96.5	Very high	41 Å²	41	47 Å²	47	25%	0.252	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	11.5	169.1	55.4	0	0	0	0	111	F222 P257 E259	F222-T232 WeakPolarHBondContact CE2-O 3.33Å; T232-P257 WeakPolarHBondContact CG2-O 3.43Å; T232-E259 HydrophobicContact CG2-CB 3.83Å
233	D	95.4	Very high	96.5	Very high	64 Å²	64	50.6 Å²	50.6	34%	0.342	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	135.4	-176.3	-66.5	-52.1	0	0	0	111	F222 G223 S231 Q246	F222-D233 WeakPolarHBondContact CA-O 3.47Å; G223-D233 PolarHBondContact N-O 3.1Å; S231-D233 WeakPolarHBondContact OG-CB 3.04Å; S231-D233 PolarHBondContact OG-N 2.83Å; S231-D233 PolarHBondContact OG-OD2 2.8Å; S231-D233 VanDerWaalsContact OG-OD2 3.14Å; D233-Q246 PolarHBondContact OD1-NE2 2.98Å
234	L	97.5	Very high	96.6	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.8	168.1	-177	63.5	0	0	0	109.5	Y220 F222 L247 I272 Y292	Y220-L234 HydrophobicContact CD1-CD1 4.25Å; F222-L234 HydrophobicContact CB-CD1 3.91Å; F222-L234 HydrophobicContact CD2-CB 4.19Å; F222-L234 HydrophobicContact CD2-CD1 4.37Å; L234-L247 HydrophobicContact CB-CB 4.45Å; L234-L247 HydrophobicContact CD2-CB 4.38Å; L234-L247 HydrophobicContact CD2-CD1 3.78Å; L234-L247 HydrophobicContact CG-CB 4.39Å; L234-L247 HydrophobicContact CG-CD1 4.08Å; L234-L247 PolarHBondContact O-N 2.82Å; L234-I272 HydrophobicContact CD1-CD1 4.27Å; L234-I272 HydrophobicContact CD2-CD1 4.29Å; L234-Y292 HydrophobicContact CD2-CD1 3.54Å; L234-Y292 HydrophobicContact CD2-CD2 3.68Å; L234-Y292 HydrophobicContact CD2-CE1 3.76Å; L234-Y292 HydrophobicContact CD2-CE2 3.84Å; L234-Y292 HydrophobicContact CD2-CG 3.48Å; L234-Y292 VanDerWaalsContact CD2-CG 3.48Å
235	H	98.4	Very high	96.6	Very high	10 Å²	10	54 Å²	54	5%	0.046	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.7	174.7	-68.1	79.1	0	0	0	110.5	K202 P204 Y220 V221 W244 T245	K202-H235 PolarHBondContact O-CD2 3.01Å; K202-H235 VanDerWaalsContact O-CD2 3.3Å; P204-H235 HydrophobicContact CG-CB 3.71Å; Y220-H235 CarbonylContact C-O 3.53Å; Y220-H235 WeakPolarHBondContact CA-O 3.11Å; V221-H235 PolarHBondContact N-O 3.17Å; V221-H235 PolarHBondContact O-N 2.85Å; H235-W244 HydrophobicContact CB-CE3 3.85Å; H235-W244 HydrophobicContact CB-CZ3 3.78Å; H235-T245 WeakPolarHBondContact CA-O 3.4Å
236	K	98.4	Very high	96.7	Very high	62 Å²	62	55.8 Å²	55.8	27%	0.27	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.6	176.5	179.7	-169.5	176.6	-171.6	0	108.9	S218 L219 Y220 W244 T245 L247	S218-K236 VanDerWaalsContact CB-CE 3.43Å; S218-K236 WeakPolarHBondContact OG-CE 3.29Å; L219-K236 CarbonylContact O-C 3.53Å; L219-K236 WeakPolarHBondContact O-CA 3.35Å; Y220-K236 HydrophobicContact CD1-CB 4.16Å; Y220-K236 HydrophobicContact CD1-CG 4.37Å; Y220-K236 HydrophobicContact CE1-CB 3.96Å; Y220-K236 HydrophobicContact CE1-CD 4.13Å; Y220-K236 HydrophobicContact CE1-CG 3.88Å; Y220-K236 HydrophobicContact CE2-CG 4.37Å; K236-W244 CarbonylContact O-C 3.57Å; K236-W244 WeakPolarHBondContact O-CA 3.43Å; K236-T245 PolarHBondContact N-O 3.08Å; K236-T245 PolarHBondContact O-N 2.88Å; K236-L247 HydrophobicContact CB-CD1 4.19Å; K236-L247 HydrophobicContact CB-CD2 4.36Å; K236-L247 HydrophobicContact CB-CG 4.21Å
237	L	98.7	Very high	96.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.9	166	171.5	63.5	0	0	0	108.8	V184 L197 C199 S218 L219 L239 R242 E243 W244	V184-L237 HydrophobicContact CG2-CD2 3.92Å; L197-L237 HydrophobicContact CD2-CD2 4.2Å; C199-L237 HydrophobicContact CB-CD1 4.16Å; S218-L237 CarbonylContact C-O 3.49Å; S218-L237 VanDerWaalsContact CA-O 3.27Å; S218-L237 WeakPolarHBondContact CA-O 3.46Å; L219-L237 HydrophobicContact CB-CB 4.19Å; L219-L237 HydrophobicContact CD2-CD2 4.27Å; L219-L237 PolarHBondContact N-O 2.91Å; L219-L237 PolarHBondContact O-N 3.08Å; L237-L239 HydrophobicContact CD2-CD2 4.12Å; L237-L239 HydrophobicContact CG-CD2 4.33Å; L237-L239 PolarHBondContact O-N 2.77Å; L237-R242 VanDerWaalsContact CD1-C 3.5Å; L237-E243 WeakPolarHBondContact CA-O 3.27Å; L237-W244 HydrophobicContact CB-CD2 3.62Å; L237-W244 HydrophobicContact CB-CE3 3.6Å; L237-W244 HydrophobicContact CB-CG 4.33Å; L237-W244 HydrophobicContact CB-CH2 3.67Å; L237-W244 HydrophobicContact CB-CZ2 3.7Å; L237-W244 HydrophobicContact CB-CZ3 3.62Å; L237-W244 HydrophobicContact CD1-CD2 4.15Å; L237-W244 HydrophobicContact CD1-CG 4.04Å; L237-W244 HydrophobicContact CD2-CH2 4.38Å; L237-W244 HydrophobicContact CD2-CZ2 3.72Å; L237-W244 HydrophobicContact CG-CD2 4.32Å; L237-W244 HydrophobicContact CG-CZ2 4.24Å
238	D	98.4	Very high	97	Very high	48 Å²	48	61.1 Å²	61.1	26%	0.257	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	119.4	167.1	-177.3	-51.1	0	0	0	109	N240 T241 R242 E243	D238-N240 VanDerWaalsContact C-N 3.29Å; D238-N240 PolarHBondContact O-N 3.4Å; D238-N240 WeakPolarHBondContact OD1-CA 2.87Å; D238-N240 WeakPolarHBondContact OD1-CB 3.17Å; D238-N240 PolarHBondContact OD1-N 2.89Å; D238-T241 VanDerWaalsContact CB-OG1 3.3Å; D238-T241 WeakPolarHBondContact CB-OG1 3.46Å; D238-T241 VanDerWaalsContact CG-OG1 3.3Å; D238-T241 PolarHBondContact OD1-N 2.99Å; D238-T241 PolarHBondContact OD1-OG1 2.84Å; D238-R242 WeakPolarHBondContact O-CA 3.44Å; D238-R242 PolarHBondContact O-N 3Å; D238-E243 PolarHBondContact N-O 3.22Å
239	L	97.7	Very high	97.2	Very high	39 Å²	39	54.9 Å²	54.9	20%	0.204	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-17.8	-174.4	-65.3	173.9	0	0	0	113.2	L167 I214 G217 L219 L237	L167-L239 HydrophobicContact CD2-CD1 4.48Å; L167-L239 HydrophobicContact CD2-CD2 3.8Å; I214-L239 HydrophobicContact CD1-CD1 4.05Å; I214-L239 HydrophobicContact CG1-CD1 4.3Å; I214-L239 HydrophobicContact CG2-CD1 4.25Å; G217-L239 VanDerWaalsContact O-CB 3.3Å; G217-L239 WeakPolarHBondContact O-CB 3.39Å; G217-L239 WeakPolarHBondContact O-CG 3.27Å; G217-L239 PolarHBondContact O-N 3.09Å; L219-L239 HydrophobicContact CB-CD2 4.07Å; L219-L239 HydrophobicContact CB-CG 4.4Å; L237-L239 HydrophobicContact CD2-CD2 4.12Å; L237-L239 HydrophobicContact CG-CD2 4.33Å; L237-L239 PolarHBondContact O-N 2.77Å
240	N	97.4	Very high	97.3	Very high	144 Å²	144	55.2 Å²	55.2	77%	0.77	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-54.1	175.9	-178.6	54.1	0	0	0	110.3	D238	D238-N240 VanDerWaalsContact C-N 3.29Å; D238-N240 PolarHBondContact O-N 3.4Å; D238-N240 WeakPolarHBondContact OD1-CA 2.87Å; D238-N240 WeakPolarHBondContact OD1-CB 3.17Å; D238-N240 PolarHBondContact OD1-N 2.89Å
241	T	98.2	Very high	97.2	Very high	54 Å²	54	55.6 Å²	55.6	33%	0.331	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-18.2	-177.9	71.6	0	0	0	0	112.9	R200 D238 E243	R200-T241 PolarHBondContact NH1-O 2.87Å; R200-T241 PolarHBondContact NH2-O 2.95Å; D238-T241 VanDerWaalsContact CB-OG1 3.3Å; D238-T241 WeakPolarHBondContact CB-OG1 3.46Å; D238-T241 VanDerWaalsContact CG-OG1 3.3Å; D238-T241 PolarHBondContact OD1-N 2.99Å; D238-T241 PolarHBondContact OD1-OG1 2.84Å; T241-E243 VanDerWaalsContact C-N 3.3Å
242	R	98.1	Very high	97.1	Very high	121 Å²	121	60.6 Å²	60.6	46%	0.457	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	37.3	-176.4	-51.3	179.5	-173.7	-176.6	2.2	113.1	L197 C199 R200 L237 D238	L197-R242 HydrophobicContact CD1-CG 4.36Å; C199-R242 CarbonylContact C-O 3.58Å; C199-R242 VanDerWaalsContact CA-O 3.25Å; C199-R242 WeakPolarHBondContact CA-O 3.41Å; R200-R242 PolarHBondContact N-O 2.88Å; L237-R242 VanDerWaalsContact CD1-C 3.5Å; D238-R242 WeakPolarHBondContact O-CA 3.44Å; D238-R242 PolarHBondContact O-N 3Å
243	E	98.5	Very high	96.7	Very high	76 Å²	76	63.8 Å²	63.8	36%	0.355	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.7	-179.7	-173	159.8	-176.4	0	0	111.5	R200 L237 D238 T241	R200-E243 HydrophobicContact CG-CB 4.13Å; R200-E243 HydrophobicContact CG-CG 4.1Å; R200-E243 IonicContact CZ-OE2 2.68Å; R200-E243 VanDerWaalsContact CZ-OE2 3.25Å; R200-E243 IonicContact NE-OE2 3.9Å; R200-E243 PolarHBondContact NE-OE2 2.83Å; R200-E243 IonicContact NH2-OE2 3.25Å; R200-E243 PolarHBondContact NH2-OE2 3.06Å; L237-E243 WeakPolarHBondContact CA-O 3.27Å; D238-E243 PolarHBondContact N-O 3.22Å; T241-E243 VanDerWaalsContact C-N 3.3Å
244	W	98.8	Very high	96.3	Very high	5 Å²	5	65.8 Å²	65.8	2%	0.019	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137	172.2	-77.8	103.9	0	0	0	111.6	F169 V184 C199 R200 G201 K202 K203 P204 L219 V221 H235 K236 L237	F169-W244 HydrophobicContact CD2-CZ2 4.15Å; F169-W244 HydrophobicContact CE2-CH2 4.37Å; F169-W244 AromaticContact CE2-CZ2 3.92Å; F169-W244 HydrophobicContact CE2-CZ2 3.92Å; V184-W244 HydrophobicContact CG2-CZ2 3.69Å; C199-W244 VanDerWaalsContact CB-CD1 3.47Å; R200-W244 PolarHBondContact O-N 3.21Å; G201-W244 CarbonylContact C-O 3.53Å; G201-W244 WeakPolarHBondContact CA-O 3.49Å; K202-W244 VanDerWaalsContact C-CB 3.49Å; K202-W244 PolarHBondContact N-O 3.47Å; K202-W244 WeakPolarHBondContact O-CB 3.42Å; K203-W244 HydrophobicContact CB-CB 4.22Å; K203-W244 HydrophobicContact CB-CD2 4.24Å; K203-W244 HydrophobicContact CB-CG 3.77Å; P204-W244 HydrophobicContact CG-CE3 4.47Å; P204-W244 HydrophobicContact CG-CH2 4.43Å; P204-W244 HydrophobicContact CG-CZ3 4.22Å; L219-W244 HydrophobicContact CD2-CH2 4.25Å; V221-W244 HydrophobicContact CB-CH2 4.46Å; V221-W244 HydrophobicContact CG2-CH2 3.76Å; V221-W244 HydrophobicContact CG2-CZ3 4.22Å; H235-W244 HydrophobicContact CB-CE3 3.85Å; H235-W244 HydrophobicContact CB-CZ3 3.78Å; K236-W244 CarbonylContact O-C 3.57Å; K236-W244 WeakPolarHBondContact O-CA 3.43Å; L237-W244 HydrophobicContact CB-CD2 3.62Å; L237-W244 HydrophobicContact CB-CE3 3.6Å; L237-W244 HydrophobicContact CB-CG 4.33Å; L237-W244 HydrophobicContact CB-CH2 3.67Å; L237-W244 HydrophobicContact CB-CZ2 3.7Å; L237-W244 HydrophobicContact CB-CZ3 3.62Å; L237-W244 HydrophobicContact CD1-CD2 4.15Å; L237-W244 HydrophobicContact CD1-CG 4.04Å; L237-W244 HydrophobicContact CD2-CH2 4.38Å; L237-W244 HydrophobicContact CD2-CZ2 3.72Å; L237-W244 HydrophobicContact CG-CD2 4.32Å; L237-W244 HydrophobicContact CG-CZ2 4.24Å
245	T	98.3	Very high	96	Very high	68 Å²	68	69.4 Å²	69.4	42%	0.417	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.7	171.7	-55.8	0	0	0	0	108.8	H235 K236 L247	H235-T245 WeakPolarHBondContact CA-O 3.4Å; K236-T245 PolarHBondContact N-O 3.08Å; K236-T245 PolarHBondContact O-N 2.88Å; T245-L247 HydrophobicContact CG2-CD2 4.33Å
246	Q	97.8	Very high	95.8	Very high	40 Å²	40	71.6 Å²	71.6	19%	0.187	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	123.3	165.3	-173.6	-175.1	17.1	0	0	108.3	K202 D233 K248	K202-Q246 HydrophobicContact CD-CB 3.87Å; K202-Q246 HydrophobicContact CG-CB 4.31Å; D233-Q246 PolarHBondContact OD1-NE2 2.98Å; Q246-K248 PolarHBondContact O-N 3.16Å
247	L	97.1	Very high	95.6	Very high	29 Å²	29	68.8 Å²	68.8	15%	0.152	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	113.1	175.3	-59.1	-175.4	0	0	0	108.4	Y220 L234 K236 T245 P249 Y292	Y220-L247 HydrophobicContact CD1-CD1 4.26Å; Y220-L247 HydrophobicContact CE1-CD1 3.8Å; L234-L247 HydrophobicContact CB-CB 4.45Å; L234-L247 HydrophobicContact CD2-CB 4.38Å; L234-L247 HydrophobicContact CD2-CD1 3.78Å; L234-L247 HydrophobicContact CG-CB 4.39Å; L234-L247 HydrophobicContact CG-CD1 4.08Å; L234-L247 PolarHBondContact O-N 2.82Å; K236-L247 HydrophobicContact CB-CD1 4.19Å; K236-L247 HydrophobicContact CB-CD2 4.36Å; K236-L247 HydrophobicContact CB-CG 4.21Å; T245-L247 HydrophobicContact CG2-CD2 4.33Å; L247-P249 WeakPolarHBondContact O-CD 3.41Å; L247-Y292 HydrophobicContact CD1-CE1 4.12Å
248	K	95.9	Very high	95.4	Very high	151 Å²	151	73.4 Å²	73.4	66%	0.657	39%	0.39	S	S	*	.			trans	-90.1	112.6	174.3	-67.3	-175.6	178.9	-177.7	0	108	Q246 N297	Q246-K248 PolarHBondContact O-N 3.16Å; K248-N297 PolarHBondContact O-ND2 3.4Å
249	P	96.6	Very high	95.3	Very high	40 Å²	40	75.5 Å²	75.5	26%	0.26	40%	0.398	S	S	.	.			trans	-64.1	149.5	179	22.7	-30.8	0	0	0	111.7	L247 N251 L256 Y292 N297	L247-P249 WeakPolarHBondContact O-CD 3.41Å; P249-N251 HydrophobicContact CB-CB 4.36Å; P249-N251 WeakPolarHBondContact CB-OD1 3.33Å; P249-N251 PolarHBondContact O-N 2.78Å; P249-L256 HydrophobicContact CB-CD2 4.16Å; P249-L256 HydrophobicContact CG-CD2 3.51Å; P249-Y292 HydrophobicContact CB-CE2 4.02Å; P249-N297 CarbonylContact C-O 3.6Å; P249-N297 WeakPolarHBondContact CA-O 3.48Å
250	N	96.2	Very high	95.3	Very high	120 Å²	120	74 Å²	74	64%	0.642	39%	0.39	S	S	*	.	S	Bend	trans	-77.7	0.2	173.8	-67	-25.1	0	0	0	113.2	T296 N297	N250-T296 PolarHBondContact ND2-O 3.21Å; N250-N297 PolarHBondContact N-O 2.97Å; N250-N297 PolarHBondContact OD1-ND2 3.12Å
251	N	95.9	Very high	95.3	Very high	36 Å²	36	67.6 Å²	67.6	19%	0.193	36%	0.355	C	S	.	.	S	Bend	trans	-70.8	157.7	-179.2	-61.8	81.9	0	0	0	113.4	P249 D255 L256 A298 W299	P249-N251 HydrophobicContact CB-CB 4.36Å; P249-N251 WeakPolarHBondContact CB-OD1 3.33Å; P249-N251 PolarHBondContact O-N 2.78Å; N251-D255 HydrophobicContact CB-CB 4.16Å; N251-L256 HydrophobicContact CB-CD2 3.98Å; N251-A298 WeakPolarHBondContact OD1-CA 3.4Å; N251-A298 WeakPolarHBondContact OD1-CB 3.44Å; N251-W299 PolarHBondContact ND2-O 3.34Å; N251-W299 PolarHBondContact OD1-N 3.02Å
252	L	91.4	Very high	95.3	Very high	123 Å²	123	66.3 Å²	66.3	64%	0.644	34%	0.344	S	S	*	.			trans	-69.4	156.2	159.5	-61.3	177.5	0	0	0	110	C254 D255	L252-C254 PolarHBondContact O-N 3.07Å; L252-C254 VanDerWaalsContact O-N 3.11Å; L252-D255 PolarHBondContact O-N 2.83Å
253	S	86.6	Confident	95.3	Very high	108 Å²	108	60.6 Å²	60.6	76%	0.755	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-59.9	-25	-178.2	-53.6	0	0	0	0	113.9	D255	S253-D255 VanDerWaalsContact C-N 3.33Å
254	C	87.4	Confident	95.3	Very high	105 Å²	105	58.3 Å²	58.3	71%	0.709	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-75	-17.6	177.9	56.3	0	0	0	0	114.3	L252	L252-C254 PolarHBondContact O-N 3.07Å; L252-C254 VanDerWaalsContact O-N 3.11Å
255	D	89.8	Confident	95.3	Very high	79 Å²	79	59 Å²	59	42%	0.422	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-99.4	6.4	-177.5	-45.6	-40	0	0	0	112.1	N251 L252 S253	N251-D255 HydrophobicContact CB-CB 4.16Å; L252-D255 PolarHBondContact O-N 2.83Å; S253-D255 VanDerWaalsContact C-N 3.33Å
256	L	94	Very high	95.3	Very high	55 Å²	55	55.8 Å²	55.8	29%	0.288	30%	0.296	S	S	.	.	S	Bend	trans	-80.2	147.6	178.9	-61.3	-178.1	0	0	0	110.7	P249 N251	P249-L256 HydrophobicContact CB-CD2 4.16Å; P249-L256 HydrophobicContact CG-CD2 3.51Å; N251-L256 HydrophobicContact CB-CD2 3.98Å
257	P	95.4	Very high	95.3	Very high	4 Å²	4	56.4 Å²	56.4	3%	0.026	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-58	147.4	170.6	24.5	-34	0	0	0	110.9	F222 T232 H290 W299	F222-P257 HydrophobicContact CE2-CG 4.03Å; F222-P257 HydrophobicContact CZ-CB 4.17Å; F222-P257 HydrophobicContact CZ-CG 3.69Å; T232-P257 WeakPolarHBondContact CG2-O 3.43Å; P257-H290 HydrophobicContact CB-CB 3.98Å; P257-W299 HydrophobicContact CG-CD2 3.85Å; P257-W299 HydrophobicContact CG-CE3 4.14Å; P257-W299 HydrophobicContact CG-CG 4.44Å; P257-W299 HydrophobicContact CG-CH2 4.2Å; P257-W299 HydrophobicContact CG-CZ2 3.9Å; P257-W299 HydrophobicContact CG-CZ3 4.3Å
258	E	94.8	Very high	95.4	Very high	96 Å²	96	57.8 Å²	57.8	45%	0.449	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-63.6	147.3	172.2	-53.2	95.1	140.7	0	0	111	R260 Y284 H290	E258-R260 VanDerWaalsContact N-NH2 3.11Å; E258-R260 PolarHBondContact O-N 2.87Å; E258-R260 PolarHBondContact O-NE 3.26Å; E258-R260 PolarHBondContact O-NH2 3.46Å; E258-R260 VanDerWaalsContact O-NH2 3.07Å; E258-R260 IonicContact OE2-CZ 3.13Å; E258-R260 IonicContact OE2-NH2 3.37Å; E258-R260 PolarHBondContact OE2-NH2 2.77Å; E258-Y284 HydrophobicContact CB-CE2 4Å; E258-H290 IonicContact OE2-CD2 3.83Å; E258-H290 IonicContact OE2-NE2 3.2Å; E258-H290 PolarHBondContact OE2-NE2 2.93Å
259	E	95.7	Very high	95.4	Very high	92 Å²	92	51.5 Å²	51.5	43%	0.43	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-59.6	132.6	176.1	68.1	-179.3	179.2	0	0	111.6	Y230 T232 Y284	Y230-E259 HydrophobicContact CD2-CG 4.37Å; Y230-E259 HydrophobicContact CG-CG 4.42Å; T232-E259 HydrophobicContact CG2-CB 3.83Å; E259-Y284 WeakPolarHBondContact O-CE2 3.46Å; E259-Y284 PolarHBondContact O-OH 3.37Å
260	R	97.7	Very high	95.4	Very high	8 Å²	8	55 Å²	55	3%	0.03	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-156.6	159.3	-169.7	63.6	-172.3	76.5	-150.8	-1.6	114.4	F222 G224 E258 H263 G276 G278 Y284	F222-R260 HydrophobicContact CE1-CG 4.26Å; G224-R260 WeakPolarHBondContact CA-O 3.45Å; G224-R260 PolarHBondContact N-O 2.89Å; E258-R260 VanDerWaalsContact N-NH2 3.11Å; E258-R260 PolarHBondContact O-N 2.87Å; E258-R260 PolarHBondContact O-NE 3.26Å; E258-R260 PolarHBondContact O-NH2 3.46Å; E258-R260 VanDerWaalsContact O-NH2 3.07Å; E258-R260 IonicContact OE2-CZ 3.13Å; E258-R260 IonicContact OE2-NH2 3.37Å; E258-R260 PolarHBondContact OE2-NH2 2.77Å; R260-H263 HydrophobicContact CG-CB 4.4Å; R260-H263 WeakPolarHBondContact CG-ND1 3.29Å; R260-G276 PolarHBondContact NH1-O 3.42Å; R260-G276 VanDerWaalsContact NH1-O 3.13Å; R260-G278 CarbonylContact C-O 3.57Å; R260-G278 VanDerWaalsContact CA-O 3.27Å; R260-G278 WeakPolarHBondContact CA-O 3.49Å; R260-Y284 HydrophobicContact CB-CD2 4.24Å; R260-Y284 HydrophobicContact CB-CE2 3.87Å
261	Y	97.5	Very high	95.5	Very high	9 Å²	9	52 Å²	52	4%	0.035	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-135	164.3	164.4	85.3	-50.3	0	0	0	110.3	G209 T225 Y230 H263 G277 G278 R317	G209-Y261 WeakPolarHBondContact O-CA 3.4Å; T225-Y261 HydrophobicContact CG2-CD2 3.93Å; T225-Y261 HydrophobicContact CG2-CG 4.1Å; Y230-Y261 HydrophobicContact CD1-CD1 4.11Å; Y230-Y261 HydrophobicContact CD1-CG 4.42Å; Y230-Y261 AromaticContact CE1-CD1 3.69Å; Y230-Y261 HydrophobicContact CE1-CD1 3.69Å; Y230-Y261 HydrophobicContact CE1-CE1 4.17Å; Y230-Y261 HydrophobicContact CE1-CG 4.21Å; Y261-H263 PolarHBondContact O-N 2.89Å; Y261-H263 VanDerWaalsContact O-N 3.15Å; Y261-G277 WeakPolarHBondContact O-CA 3.48Å; Y261-G278 VanDerWaalsContact CD1-O 3.25Å; Y261-G278 WeakPolarHBondContact CD1-O 3.47Å; Y261-G278 PolarHBondContact N-O 2.96Å; Y261-G278 PolarHBondContact O-N 3.45Å; Y261-R317 PolarHBondContact OH-NH1 3.13Å
262	R	97.5	Very high	95.7	Very high	27 Å²	27	50.3 Å²	50.3	10%	0.102	27%	0.269	C	S	.	.	S	Bend	trans	57	29.3	176.9	-63	-78.4	177.7	-89.8	-62.6	113.5	S156 G209 G277 R317 C318 F366	S156-R262 PolarHBondContact O-NH1 2.85Å; S156-R262 PolarHBondContact OG-NE 3.49Å; S156-R262 PolarHBondContact OG-NH1 3.44Å; S156-R262 PolarHBondContact OG-NH2 3.09Å; G209-R262 PolarHBondContact O-N 3.13Å; R262-G277 WeakPolarHBondContact O-CA 3.49Å; R262-R317 HydrophobicContact CB-CB 4.41Å; R262-C318 HydrophobicContact CB-CB 4.38Å; R262-C318 VanDerWaalsContact CB-SG 3.56Å; R262-C318 VanDerWaalsContact CG-SG 3.56Å; R262-C318 PolarHBondContact O-N 3.04Å; R262-F366 HydrophobicContact CG-CE1 4.19Å; R262-F366 VanDerWaalsContact NE-CE1 3.28Å
263	H	98.4	Very high	96	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	24%	0.239	C	C	.	.			trans	-79.2	166.9	156.9	52.9	-70.7	0	0	0	109.6	F222 R260 Y261 I274 L275 G276	F222-H263 AromaticContact CD1-CD2 3.69Å; F222-H263 AromaticContact CD1-NE2 3.29Å; F222-H263 VanDerWaalsContact CD1-NE2 3.29Å; F222-H263 WeakPolarHBondContact CD1-NE2 3.46Å; F222-H263 AromaticContact CE1-NE2 3.84Å; F222-H263 PolarHBondContact O-CE1 3.35Å; F222-H263 PolarHBondContact O-NE2 2.82Å; R260-H263 HydrophobicContact CG-CB 4.4Å; R260-H263 WeakPolarHBondContact CG-ND1 3.29Å; Y261-H263 PolarHBondContact O-N 2.89Å; Y261-H263 VanDerWaalsContact O-N 3.15Å; H263-I274 HydrophobicContact CB-CG2 4.07Å; H263-L275 WeakPolarHBondContact CA-O 3.39Å; H263-L275 WeakPolarHBondContact CB-O 3.35Å; H263-G276 WeakPolarHBondContact CB-O 3.37Å
264	E	98.5	Very high	96.6	Very high	27 Å²	27	39.5 Å²	39.5	13%	0.126	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	166.5	173.3	-67.9	-65.1	155	0	0	110.6	L275 C321	E264-L275 PolarHBondContact N-O 2.98Å; E264-L275 PolarHBondContact O-N 2.92Å; E264-C321 HydrophobicContact CB-CB 3.24Å; E264-C321 HydrophobicContact CG-CB 3.49Å; E264-C321 VanDerWaalsContact CG-CB 3.49Å
265	I	98.1	Very high	97.1	Very high	19 Å²	19	34.5 Å²	34.5	10%	0.097	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142.9	-175.6	-168.3	164.1	0	0	0	110.2	A211 M212 A213 I272 Y273 I274	A211-I265 HydrophobicContact CB-CB 3.74Å; A211-I265 HydrophobicContact CB-CG2 3.89Å; M212-I265 WeakPolarHBondContact O-CG2 3.43Å; A213-I265 HydrophobicContact CB-CD1 4.07Å; A213-I265 HydrophobicContact CB-CG1 4.33Å; A213-I265 HydrophobicContact CB-CG2 4Å; I265-I272 HydrophobicContact CD1-CG2 3.32Å; I265-I272 HydrophobicContact CG1-CG2 3.54Å; I265-Y273 WeakPolarHBondContact CA-O 3.23Å; I265-I274 HydrophobicContact CD1-CD1 4.45Å; I265-I274 HydrophobicContact CG1-CD1 4.33Å
266	A	98.7	Very high	97.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	167	167	0	0	0	0	0	109.2	Y273 L275 V328 L348	A266-Y273 PolarHBondContact N-O 2.8Å; A266-Y273 PolarHBondContact O-N 3.15Å; A266-L275 HydrophobicContact CB-CD1 3.85Å; A266-V328 HydrophobicContact CB-CB 4.41Å; A266-V328 HydrophobicContact CB-CG1 3.99Å; A266-V328 HydrophobicContact CB-CG2 3.47Å; A266-V328 VanDerWaalsContact CB-CG2 3.47Å; A266-L348 HydrophobicContact CB-CD1 4.36Å
267	H	98.5	Very high	97.7	Very high	54 Å²	54	28.2 Å²	28.2	25%	0.25	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	154.6	177.6	69.4	87.2	0	0	0	112.8	I215 G269 R271 Q323	I215-H267 HydrophobicContact CD1-CB 3.55Å; I215-H267 HydrophobicContact CG1-CB 4.17Å; H267-G269 PolarHBondContact ND1-N 3.36Å; H267-R271 WeakPolarHBondContact CA-O 3.43Å; H267-R271 VanDerWaalsContact CB-O 3.24Å; H267-R271 WeakPolarHBondContact CB-O 3.37Å; H267-Q323 VanDerWaalsContact N-OE1 3.12Å; H267-Q323 PolarHBondContact O-NE2 2.89Å
268	D	98	Very high	97.8	Very high	57 Å²	57	28 Å²	28	31%	0.305	14%	0.135	S	C	.	.			trans	-108.8	5.1	170.2	61.2	17.8	0	0	0	112.7	Q270 R271 Y273	D268-Q270 VanDerWaalsContact C-N 3.33Å; D268-Q270 WeakPolarHBondContact OD1-CA 3.38Å; D268-Q270 PolarHBondContact OD1-N 2.9Å; D268-R271 PolarHBondContact N-O 2.93Å; D268-R271 PolarHBondContact OD1-N 2.06Å; D268-Y273 HydrophobicContact CB-CE2 4.18Å; D268-Y273 PolarHBondContact OD2-OH 3.24Å
269	G	96.8	Very high	97.9	Very high	20 Å²	20	23.7 Å²	23.7	21%	0.206	12%	0.115	C	C	.	.	S	Bend	trans	93.8	-19.9	-176.8	0	0	0	0	0	114	N216 H267	N216-G269 PolarHBondContact ND2-O 3.09Å; H267-G269 PolarHBondContact ND1-N 3.36Å
270	Q	97.3	Very high	97.7	Very high	114 Å²	114	20.3 Å²	20.3	53%	0.533	10%	0.102	S	C	.	.	S	Bend	trans	-105.5	-35	172.7	-65.5	-177	-28.2	0	0	111.7	D268 L294	D268-Q270 VanDerWaalsContact C-N 3.33Å; D268-Q270 WeakPolarHBondContact OD1-CA 3.38Å; D268-Q270 PolarHBondContact OD1-N 2.9Å; Q270-L294 VanDerWaalsContact O-CB 3.28Å; Q270-L294 WeakPolarHBondContact O-CB 3.45Å; Q270-L294 WeakPolarHBondContact O-CG 3.43Å; Q270-L294 PolarHBondContact O-N 3.05Å
271	R	98.5	Very high	97.4	Very high	57 Å²	57	28.3 Å²	28.3	22%	0.215	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.8	-178	-70.7	176.9	177.4	77.6	5.1	112.3	H267 D268 Y273 A291 Y292 N293 E300	H267-R271 WeakPolarHBondContact CA-O 3.43Å; H267-R271 VanDerWaalsContact CB-O 3.24Å; H267-R271 WeakPolarHBondContact CB-O 3.37Å; D268-R271 PolarHBondContact N-O 2.93Å; D268-R271 PolarHBondContact OD1-N 2.06Å; R271-Y273 HydrophobicContact CB-CE1 4.2Å; R271-Y273 HydrophobicContact CB-CE2 3.82Å; R271-Y273 WeakPolarHBondContact CD-OH 3.2Å; R271-A291 HydrophobicContact CB-CB 4.45Å; R271-Y292 CarbonylContact C-O 3.49Å; R271-Y292 WeakPolarHBondContact CA-O 3.43Å; R271-N293 HydrophobicContact CG-CB 4.39Å; R271-N293 PolarHBondContact NH2-ND2 2.82Å; R271-E300 IonicContact CZ-OE1 3.78Å; R271-E300 IonicContact CZ-OE2 3.5Å; R271-E300 IonicContact NE-OE1 3.54Å; R271-E300 IonicContact NE-OE2 2.78Å; R271-E300 PolarHBondContact NE-OE2 2.96Å; R271-E300 IonicContact NH2-OE1 3.14Å; R271-E300 PolarHBondContact NH2-OE1 3.32Å; R271-E300 VanDerWaalsContact NH2-OE1 3.14Å; R271-E300 IonicContact NH2-OE2 3.32Å; R271-E300 PolarHBondContact NH2-OE2 2.77Å
272	I	98.6	Very high	97.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	116.8	168.8	-64.7	173.9	0	0	0	108.9	I215 Y220 L234 I265 I274 A291 Y292 L294	I215-I272 HydrophobicContact CD1-CD1 3.88Å; I215-I272 HydrophobicContact CD1-CG1 3.47Å; I215-I272 VanDerWaalsContact CD1-CG1 3.47Å; Y220-I272 HydrophobicContact CD1-CD1 3.44Å; Y220-I272 VanDerWaalsContact CD1-CD1 3.44Å; Y220-I272 HydrophobicContact CD2-CD1 4.33Å; Y220-I272 HydrophobicContact CE1-CD1 3.98Å; Y220-I272 HydrophobicContact CG-CD1 3.62Å; L234-I272 HydrophobicContact CD1-CD1 4.27Å; L234-I272 HydrophobicContact CD2-CD1 4.29Å; I265-I272 HydrophobicContact CD1-CG2 3.32Å; I265-I272 HydrophobicContact CG1-CG2 3.54Å; I272-I274 HydrophobicContact CG2-CD1 4.05Å; I272-A291 CarbonylContact O-C 3.51Å; I272-A291 WeakPolarHBondContact O-CA 3.46Å; I272-Y292 PolarHBondContact N-O 2.96Å; I272-Y292 PolarHBondContact O-N 3.2Å; I272-L294 HydrophobicContact CD1-CD2 3.92Å; I272-L294 HydrophobicContact CG1-CD2 4.38Å
273	Y	98.7	Very high	97.4	Very high	3 Å²	3	30 Å²	30	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.6	-179.7	-57	-83.2	0	0	0	111.2	I265 A266 D268 R271 I289 A291 I302 L348 F351	I265-Y273 WeakPolarHBondContact CA-O 3.23Å; A266-Y273 PolarHBondContact N-O 2.8Å; A266-Y273 PolarHBondContact O-N 3.15Å; D268-Y273 HydrophobicContact CB-CE2 4.18Å; D268-Y273 PolarHBondContact OD2-OH 3.24Å; R271-Y273 HydrophobicContact CB-CE1 4.2Å; R271-Y273 HydrophobicContact CB-CE2 3.82Å; R271-Y273 WeakPolarHBondContact CD-OH 3.2Å; Y273-I289 HydrophobicContact CD1-CD1 4.08Å; Y273-A291 HydrophobicContact CD1-CB 3.63Å; Y273-A291 HydrophobicContact CE1-CB 3.7Å; Y273-I302 HydrophobicContact CD1-CD1 4.25Å; Y273-I302 HydrophobicContact CE1-CD1 3.7Å; Y273-L348 HydrophobicContact CD1-CD2 4.31Å; Y273-L348 HydrophobicContact CD2-CD1 3.92Å; Y273-L348 HydrophobicContact CD2-CD2 3.75Å; Y273-L348 HydrophobicContact CD2-CG 4.41Å; Y273-L348 HydrophobicContact CE2-CB 4.49Å; Y273-L348 HydrophobicContact CE2-CD1 3.92Å; Y273-L348 HydrophobicContact CE2-CD2 3.98Å; Y273-L348 HydrophobicContact CE2-CG 4.35Å; Y273-L348 HydrophobicContact CG-CD2 3.93Å; Y273-F351 HydrophobicContact CD1-CE1 4.3Å; Y273-F351 AromaticContact CE1-CE1 3.64Å; Y273-F351 HydrophobicContact CE1-CE1 3.64Å; Y273-F351 AromaticContact CE1-CZ 3.97Å; Y273-F351 HydrophobicContact CE1-CZ 3.97Å
274	I	98.5	Very high	97.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.2	178.3	-54.9	-52.6	0	0	0	109.8	F222 H263 I265 I272 H290 W299	F222-I274 HydrophobicContact CB-CD1 4.21Å; F222-I274 HydrophobicContact CD1-CD1 3.31Å; F222-I274 HydrophobicContact CD1-CG1 3.76Å; F222-I274 HydrophobicContact CD1-CG2 4.19Å; F222-I274 HydrophobicContact CE1-CB 4.37Å; F222-I274 HydrophobicContact CE1-CD1 3.85Å; F222-I274 HydrophobicContact CE1-CG1 3.72Å; F222-I274 HydrophobicContact CE1-CG2 3.78Å; F222-I274 HydrophobicContact CG-CD1 3.82Å; F222-I274 HydrophobicContact CG-CG1 4.42Å; F222-I274 HydrophobicContact CZ-CG1 4.31Å; H263-I274 HydrophobicContact CB-CG2 4.07Å; I265-I274 HydrophobicContact CD1-CD1 4.45Å; I265-I274 HydrophobicContact CG1-CD1 4.33Å; I272-I274 HydrophobicContact CG2-CD1 4.05Å; I274-H290 PolarHBondContact N-O 3.33Å; I274-W299 HydrophobicContact CD1-CH2 4.38Å; I274-W299 HydrophobicContact CG1-CH2 3.85Å; I274-W299 HydrophobicContact CG1-CZ3 3.8Å
275	L	98.5	Very high	97.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	117.2	-175.8	-61.8	99	0	0	0	111.1	H263 E264 A266 L286 H319 V328 I330 L346 W353	H263-L275 WeakPolarHBondContact CA-O 3.39Å; H263-L275 WeakPolarHBondContact CB-O 3.35Å; E264-L275 PolarHBondContact N-O 2.98Å; E264-L275 PolarHBondContact O-N 2.92Å; A266-L275 HydrophobicContact CB-CD1 3.85Å; L275-L286 HydrophobicContact CB-CD2 4.19Å; L275-H319 PolarHBondContact O-CE1 2.79Å; L275-H319 VanDerWaalsContact O-CE1 3.31Å; L275-V328 HydrophobicContact CD1-CG1 4.35Å; L275-V328 HydrophobicContact CD2-CG1 3.88Å; L275-I330 HydrophobicContact CD2-CG2 4.14Å; L275-L346 HydrophobicContact CD2-CD2 4.2Å; L275-W353 HydrophobicContact CD2-CH2 3.98Å; L275-W353 HydrophobicContact CD2-CZ2 4.45Å
276	G	98.2	Very high	97.3	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.021	16%	0.163	C	C	.	.			trans	60.5	-133.8	173	0	0	0	0	0	113	R260 H263	R260-G276 PolarHBondContact NH1-O 3.42Å; R260-G276 VanDerWaalsContact NH1-O 3.13Å; H263-G276 WeakPolarHBondContact CB-O 3.37Å
277	G	98.3	Very high	97.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.			trans	79.4	-161.3	-169.5	0	0	0	0	0	111	Y261 R262 Y284 R316	Y261-G277 WeakPolarHBondContact O-CA 3.48Å; R262-G277 WeakPolarHBondContact O-CA 3.49Å; G277-Y284 PolarHBondContact O-N 2.78Å; G277-R316 PolarHBondContact N-O 2.89Å
278	G	97.6	Very high	97.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	166.6	-157.7	-176.8	0	0	0	0	0	112.7	R260 Y261 T282	R260-G278 CarbonylContact C-O 3.57Å; R260-G278 VanDerWaalsContact CA-O 3.27Å; R260-G278 WeakPolarHBondContact CA-O 3.49Å; Y261-G278 VanDerWaalsContact CD1-O 3.25Å; Y261-G278 WeakPolarHBondContact CD1-O 3.47Å; Y261-G278 PolarHBondContact N-O 2.96Å; Y261-G278 PolarHBondContact O-N 3.45Å; G278-T282 CarbonylContact C-O 3.52Å; G278-T282 WeakPolarHBondContact CA-O 3.46Å
279	T	96.5	Very high	97.3	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.025	17%	0.174	C	C	.	.			trans	-109	-172.4	169	68.6	0	0	0	0	109.5	Y230 W281 T282 R317	Y230-T279 HydrophobicContact CD2-CG2 4.13Å; Y230-T279 HydrophobicContact CE2-CG2 3.99Å; T279-W281 HydrophobicContact CG2-CZ2 4.48Å; T279-W281 PolarHBondContact O-N 2.89Å; T279-W281 VanDerWaalsContact OG1-CD1 3.29Å; T279-W281 VanDerWaalsContact OG1-CE2 3.29Å; T279-W281 PolarHBondContact OG1-N 2.87Å; T279-W281 PolarHBondContact OG1-NE1 2.76Å; T279-W281 VanDerWaalsContact OG1-NE1 3.17Å; T279-T282 PolarHBondContact N-O 3.42Å; T279-T282 PolarHBondContact OG1-N 3.22Å; T279-T282 VanDerWaalsContact OG1-N 3.08Å; T279-R317 PolarHBondContact O-NH1 2.96Å
280	S	91.4	Very high	97.3	Very high	22 Å²	22	34.7 Å²	34.7	15%	0.154	17%	0.167	C	C	.	.	S	Bend	trans	-62.1	-24.1	175.3	-72.6	0	0	0	0	113.6	Q5 Y230 R317	Q5-S280 PolarHBondContact NE2-O 3.05Å; Y230-S280 VanDerWaalsContact OH-CB 3.28Å; Y230-S280 WeakPolarHBondContact OH-CB 3.42Å; Y230-S280 PolarHBondContact OH-N 2.84Å; Y230-S280 PolarHBondContact OH-OG 3.19Å; S280-R317 PolarHBondContact O-NH1 3.07Å; S280-R317 PolarHBondContact O-NH2 2.7Å
281	W	91.7	Very high	97.4	Very high	175 Å²	175	29.2 Å²	29.2	66%	0.663	14%	0.142	S	C	*	.	S	Bend	trans	-113.7	-28.8	-176.3	46.3	90.2	0	0	0	113.9	Y230 T279	Y230-W281 HydrophobicContact CE2-CH2 4.17Å; T279-W281 HydrophobicContact CG2-CZ2 4.48Å; T279-W281 PolarHBondContact O-N 2.89Å; T279-W281 VanDerWaalsContact OG1-CD1 3.29Å; T279-W281 VanDerWaalsContact OG1-CE2 3.29Å; T279-W281 PolarHBondContact OG1-N 2.87Å; T279-W281 PolarHBondContact OG1-NE1 2.76Å; T279-W281 VanDerWaalsContact OG1-NE1 3.17Å
282	T	96.1	Very high	97.4	Very high	58 Å²	58	26.6 Å²	26.6	36%	0.356	13%	0.132	S	C	.	.			trans	-111	139.5	-176.9	-57.9	0	0	0	0	111.2	G278 T279 Y284	G278-T282 CarbonylContact C-O 3.52Å; G278-T282 WeakPolarHBondContact CA-O 3.46Å; T279-T282 PolarHBondContact N-O 3.42Å; T279-T282 PolarHBondContact OG1-N 3.22Å; T279-T282 VanDerWaalsContact OG1-N 3.08Å; T282-Y284 HydrophobicContact CG2-CD1 3.83Å; T282-Y284 HydrophobicContact CG2-CE1 3.71Å
283	A	98.2	Very high	97.3	Very high	15 Å²	15	27 Å²	27	12%	0.124	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-104.9	136.2	162.1	0	0	0	0	0	109	A315 R317	A283-A315 HydrophobicContact CB-CB 4.27Å; A283-R317 HydrophobicContact CB-CG 4.46Å
284	Y	97.9	Very high	97.3	Very high	40 Å²	40	29 Å²	29	16%	0.157	15%	0.145	C	C	.	.			trans	-88.2	144.4	-177.4	-62.7	-39.9	0	0	0	112.5	E258 E259 R260 G277 T282 A315 R316	E258-Y284 HydrophobicContact CB-CE2 4Å; E259-Y284 WeakPolarHBondContact O-CE2 3.46Å; E259-Y284 PolarHBondContact O-OH 3.37Å; R260-Y284 HydrophobicContact CB-CD2 4.24Å; R260-Y284 HydrophobicContact CB-CE2 3.87Å; G277-Y284 PolarHBondContact O-N 2.78Å; T282-Y284 HydrophobicContact CG2-CD1 3.83Å; T282-Y284 HydrophobicContact CG2-CE1 3.71Å; Y284-A315 WeakPolarHBondContact O-CA 3.43Å; Y284-A315 WeakPolarHBondContact O-CB 2.99Å; Y284-R316 PolarHBondContact O-N 3.32Å
285	S	97.8	Very high	97.2	Very high	56 Å²	56	37 Å²	37	39%	0.392	18%	0.182	S	C	.	.			trans	-68.7	160.6	178.7	-176	0	0	0	0	111.5	N287	S285-N287 VanDerWaalsContact CB-OD1 3.26Å; S285-N287 WeakPolarHBondContact CB-OD1 3.34Å; S285-N287 PolarHBondContact OG-N 2.82Å; S285-N287 PolarHBondContact OG-OD1 2.99Å
286	L	98.5	Very high	97.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-114.6	7.9	179.2	-72.7	164.5	0	0	0	112.7	L275 K288 I289 T304 P313 R316 I330 W353	L275-L286 HydrophobicContact CB-CD2 4.19Å; L286-K288 VanDerWaalsContact C-N 3.26Å; L286-I289 HydrophobicContact CD2-CG2 4.32Å; L286-T304 PolarHBondContact O-OG1 2.93Å; L286-P313 HydrophobicContact CB-CG 4.43Å; L286-P313 HydrophobicContact CD1-CB 3.86Å; L286-P313 HydrophobicContact CD1-CG 4.22Å; L286-R316 HydrophobicContact CD1-CG 4.03Å; L286-I330 HydrophobicContact CD1-CD1 3.37Å; L286-W353 HydrophobicContact CB-CZ2 3.98Å; L286-W353 HydrophobicContact CD1-CZ2 4.43Å; L286-W353 HydrophobicContact CD2-CZ2 4.15Å; L286-W353 HydrophobicContact CG-CZ2 4.43Å; L286-W353 PolarHBondContact O-NE1 2.86Å
287	N	98.3	Very high	97.1	Very high	62 Å²	62	42.2 Å²	42.2	33%	0.332	21%	0.212	S	C	.	.	S	Bend	trans	-69.9	-26.9	171.6	68.8	-41.1	0	0	0	112.1	S285 T304 F312	S285-N287 VanDerWaalsContact CB-OD1 3.26Å; S285-N287 WeakPolarHBondContact CB-OD1 3.34Å; S285-N287 PolarHBondContact OG-N 2.82Å; S285-N287 PolarHBondContact OG-OD1 2.99Å; N287-T304 VanDerWaalsContact C-OG1 3.26Å; N287-T304 VanDerWaalsContact CA-OG1 3.32Å; N287-T304 WeakPolarHBondContact CA-OG1 3.31Å; N287-T304 PolarHBondContact O-N 2.84Å; N287-T304 PolarHBondContact O-OG1 2.91Å; N287-F312 HydrophobicContact CB-CD1 3.79Å; N287-F312 HydrophobicContact CB-CD2 3.87Å; N287-F312 HydrophobicContact CB-CE1 3.74Å; N287-F312 HydrophobicContact CB-CE2 3.82Å; N287-F312 HydrophobicContact CB-CG 3.85Å; N287-F312 HydrophobicContact CB-CZ 3.74Å
288	K	97.8	Very high	97.1	Very high	101 Å²	101	43.1 Å²	43.1	44%	0.439	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.2	170	-67.1	172.6	164.4	-149.4	0	108.8	L286 E301 I302	L286-K288 VanDerWaalsContact C-N 3.26Å; K288-E301 HydrophobicContact CB-CG 4.29Å; K288-E301 HydrophobicContact CD-CG 4.45Å; K288-E301 WeakPolarHBondContact CD-OE1 3.45Å; K288-E301 VanDerWaalsContact CE-OE1 3.29Å; K288-E301 WeakPolarHBondContact CE-OE1 3.18Å; K288-E301 IonicContact NZ-OE1 2.71Å; K288-E301 PolarHBondContact NZ-OE1 2.95Å; K288-E301 IonicContact NZ-OE2 3.64Å; K288-I302 WeakPolarHBondContact CA-O 3.22Å
289	I	97.9	Very high	97.1	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154	175.4	64.4	175.9	0	0	0	109.7	Y273 L286 I302 T304 L346 F351	Y273-I289 HydrophobicContact CD1-CD1 4.08Å; L286-I289 HydrophobicContact CD2-CG2 4.32Å; I289-I302 HydrophobicContact CG1-CB 4Å; I289-I302 HydrophobicContact CG1-CG2 4.48Å; I289-I302 PolarHBondContact N-O 3Å; I289-I302 PolarHBondContact O-N 2.98Å; I289-T304 HydrophobicContact CD1-CG2 4.09Å; I289-T304 HydrophobicContact CG1-CG2 4Å; I289-T304 HydrophobicContact CG2-CG2 4.05Å; I289-L346 HydrophobicContact CD1-CD2 3.84Å; I289-F351 HydrophobicContact CD1-CD1 4.34Å
290	H	97.8	Very high	97.1	Very high	15 Å²	15	46.1 Å²	46.1	7%	0.069	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	138.3	175.6	-69.6	-82	0	0	0	110.1	P257 E258 I274 W299 E300	P257-H290 HydrophobicContact CB-CB 3.98Å; E258-H290 IonicContact OE2-CD2 3.83Å; E258-H290 IonicContact OE2-NE2 3.2Å; E258-H290 PolarHBondContact OE2-NE2 2.93Å; I274-H290 PolarHBondContact N-O 3.33Å; H290-W299 HydrophobicContact CB-CE3 3.94Å; H290-W299 HydrophobicContact CB-CZ3 4.08Å; H290-E300 WeakPolarHBondContact CA-O 3.44Å
291	A	98.1	Very high	97.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.3	175.6	0	0	0	0	0	110.8	R271 I272 Y273 W299 E300 I302	R271-A291 HydrophobicContact CB-CB 4.45Å; I272-A291 CarbonylContact O-C 3.51Å; I272-A291 WeakPolarHBondContact O-CA 3.46Å; Y273-A291 HydrophobicContact CD1-CB 3.63Å; Y273-A291 HydrophobicContact CE1-CB 3.7Å; A291-W299 CarbonylContact O-C 3.57Å; A291-W299 WeakPolarHBondContact O-CA 3.29Å; A291-E300 PolarHBondContact N-O 2.82Å; A291-E300 PolarHBondContact O-N 2.93Å; A291-I302 HydrophobicContact CB-CD1 3.55Å; A291-I302 HydrophobicContact CB-CG1 4.27Å
292	Y	98.3	Very high	97.7	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	116.1	171.7	-163.6	-90.3	0	0	0	109.9	L234 L247 P249 R271 I272 L294 N297 W299	L234-Y292 HydrophobicContact CD2-CD1 3.54Å; L234-Y292 HydrophobicContact CD2-CD2 3.68Å; L234-Y292 HydrophobicContact CD2-CE1 3.76Å; L234-Y292 HydrophobicContact CD2-CE2 3.84Å; L234-Y292 HydrophobicContact CD2-CG 3.48Å; L234-Y292 VanDerWaalsContact CD2-CG 3.48Å; L247-Y292 HydrophobicContact CD1-CE1 4.12Å; P249-Y292 HydrophobicContact CB-CE2 4.02Å; R271-Y292 CarbonylContact C-O 3.49Å; R271-Y292 WeakPolarHBondContact CA-O 3.43Å; I272-Y292 PolarHBondContact N-O 2.96Å; I272-Y292 PolarHBondContact O-N 3.2Å; Y292-L294 HydrophobicContact CD1-CD2 4.07Å; Y292-L294 PolarHBondContact O-N 2.92Å; Y292-N297 PolarHBondContact OH-OD1 2.91Å; Y292-W299 AromaticContact CD2-CD1 3.88Å; Y292-W299 AromaticContact CD2-CD2 3.62Å; Y292-W299 HydrophobicContact CD2-CD2 3.62Å; Y292-W299 AromaticContact CD2-CE2 3.36Å; Y292-W299 HydrophobicContact CD2-CE3 4.15Å; Y292-W299 AromaticContact CD2-CG 3.95Å; Y292-W299 HydrophobicContact CD2-CG 3.95Å; Y292-W299 HydrophobicContact CD2-CH2 4.19Å; Y292-W299 AromaticContact CD2-CZ2 3.66Å; Y292-W299 HydrophobicContact CD2-CZ2 3.66Å; Y292-W299 HydrophobicContact CD2-CZ3 4.42Å; Y292-W299 AromaticContact CD2-NE1 3.55Å; Y292-W299 HydrophobicContact CE2-CD2 4.47Å; Y292-W299 HydrophobicContact CE2-CG 4.49Å; Y292-W299 HydrophobicContact CE2-CZ2 4.42Å; Y292-W299 AromaticContact CE2-NE1 3.73Å; Y292-W299 HydrophobicContact CG-CD2 4.46Å; Y292-W299 HydrophobicContact CG-CZ2 4.38Å
293	N	98.1	Very high	97.8	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.053	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	115.6	174.5	-175	-32.5	0	0	0	110	R271 E295 T296 N297 A298 E300	R271-N293 HydrophobicContact CG-CB 4.39Å; R271-N293 PolarHBondContact NH2-ND2 2.82Å; N293-E295 VanDerWaalsContact C-N 3.28Å; N293-E295 PolarHBondContact O-N 3.01Å; N293-E295 WeakPolarHBondContact OD1-CB 3.46Å; N293-E295 PolarHBondContact OD1-N 2.94Å; N293-T296 VanDerWaalsContact CB-OG1 3.27Å; N293-T296 WeakPolarHBondContact CB-OG1 3.27Å; N293-T296 PolarHBondContact ND2-OG1 3.43Å; N293-T296 PolarHBondContact OD1-N 3.47Å; N293-T296 VanDerWaalsContact OD1-N 3.14Å; N293-T296 PolarHBondContact OD1-OG1 3.3Å; N293-N297 WeakPolarHBondContact O-CA 3.39Å; N293-N297 PolarHBondContact O-N 3.32Å; N293-A298 PolarHBondContact N-O 2.79Å; N293-A298 PolarHBondContact O-N 3.11Å; N293-E300 WeakPolarHBondContact CB-OE1 3.23Å; N293-E300 PolarHBondContact ND2-OE1 2.89Å
294	L	97.6	Very high	97.8	Very high	44 Å²	44	43.4 Å²	43.4	23%	0.23	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-21.2	-175.6	-65.6	173.4	0	0	0	113.2	I215 Y220 Q270 I272 Y292	I215-L294 HydrophobicContact CG2-CD1 4.12Å; Y220-L294 HydrophobicContact CD1-CD2 4.36Å; Y220-L294 HydrophobicContact CE1-CD2 3.51Å; Q270-L294 VanDerWaalsContact O-CB 3.28Å; Q270-L294 WeakPolarHBondContact O-CB 3.45Å; Q270-L294 WeakPolarHBondContact O-CG 3.43Å; Q270-L294 PolarHBondContact O-N 3.05Å; I272-L294 HydrophobicContact CD1-CD2 3.92Å; I272-L294 HydrophobicContact CG1-CD2 4.38Å; Y292-L294 HydrophobicContact CD1-CD2 4.07Å; Y292-L294 PolarHBondContact O-N 2.92Å
295	E	97	Very high	97.8	Very high	168 Å²	168	46.9 Å²	46.9	79%	0.785	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-50.4	178.6	-177.2	179.4	-179.7	0	0	111.1	N293 N297	N293-E295 VanDerWaalsContact C-N 3.28Å; N293-E295 PolarHBondContact O-N 3.01Å; N293-E295 WeakPolarHBondContact OD1-CB 3.46Å; N293-E295 PolarHBondContact OD1-N 2.94Å; E295-N297 VanDerWaalsContact C-N 3.3Å; E295-N297 PolarHBondContact O-N 3.06Å
296	T	97.3	Very high	97.9	Very high	71 Å²	71	46.8 Å²	46.8	44%	0.436	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.3	-178.2	64.1	0	0	0	0	113.3	N250 N293 A298	N250-T296 PolarHBondContact ND2-O 3.21Å; N293-T296 VanDerWaalsContact CB-OG1 3.27Å; N293-T296 WeakPolarHBondContact CB-OG1 3.27Å; N293-T296 PolarHBondContact ND2-OG1 3.43Å; N293-T296 PolarHBondContact OD1-N 3.47Å; N293-T296 VanDerWaalsContact OD1-N 3.14Å; N293-T296 PolarHBondContact OD1-OG1 3.3Å; T296-A298 VanDerWaalsContact C-N 3.32Å; T296-A298 PolarHBondContact O-N 2.9Å
297	N	97	Very high	97.9	Very high	42 Å²	42	48.9 Å²	48.9	23%	0.225	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	46.7	-177.3	-173.4	62.1	0	0	0	111.7	K248 P249 N250 Y292 N293 E295	K248-N297 PolarHBondContact O-ND2 3.4Å; P249-N297 CarbonylContact C-O 3.6Å; P249-N297 WeakPolarHBondContact CA-O 3.48Å; N250-N297 PolarHBondContact N-O 2.97Å; N250-N297 PolarHBondContact OD1-ND2 3.12Å; Y292-N297 PolarHBondContact OH-OD1 2.91Å; N293-N297 WeakPolarHBondContact O-CA 3.39Å; N293-N297 PolarHBondContact O-N 3.32Å; E295-N297 VanDerWaalsContact C-N 3.3Å; E295-N297 PolarHBondContact O-N 3.06Å
298	A	97.7	Very high	97.7	Very high	18 Å²	18	54.7 Å²	54.7	15%	0.149	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	149.1	-177.4	0	0	0	0	0	112.3	N251 N293 T296	N251-A298 WeakPolarHBondContact OD1-CA 3.4Å; N251-A298 WeakPolarHBondContact OD1-CB 3.44Å; N293-A298 PolarHBondContact N-O 2.79Å; N293-A298 PolarHBondContact O-N 3.11Å; T296-A298 VanDerWaalsContact C-N 3.32Å; T296-A298 PolarHBondContact O-N 2.9Å
299	W	98	Very high	97.7	Very high	11 Å²	11	59 Å²	59	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	143.5	166.3	-70.4	102.9	0	0	0	111.1	F222 N251 P257 I274 H290 A291 Y292	F222-W299 AromaticContact CD2-CH2 3.73Å; F222-W299 HydrophobicContact CD2-CH2 3.73Å; F222-W299 AromaticContact CD2-CZ2 3.65Å; F222-W299 HydrophobicContact CD2-CZ2 3.65Å; F222-W299 AromaticContact CE2-CH2 3.46Å; F222-W299 HydrophobicContact CE2-CH2 3.46Å; F222-W299 VanDerWaalsContact CE2-CH2 3.46Å; F222-W299 AromaticContact CE2-CZ2 3.24Å; F222-W299 HydrophobicContact CE2-CZ2 3.24Å; F222-W299 HydrophobicContact CG-CH2 4.35Å; F222-W299 AromaticContact CZ-CH2 3.93Å; F222-W299 HydrophobicContact CZ-CH2 3.93Å; F222-W299 HydrophobicContact CZ-CZ2 4.03Å; N251-W299 PolarHBondContact ND2-O 3.34Å; N251-W299 PolarHBondContact OD1-N 3.02Å; P257-W299 HydrophobicContact CG-CD2 3.85Å; P257-W299 HydrophobicContact CG-CE3 4.14Å; P257-W299 HydrophobicContact CG-CG 4.44Å; P257-W299 HydrophobicContact CG-CH2 4.2Å; P257-W299 HydrophobicContact CG-CZ2 3.9Å; P257-W299 HydrophobicContact CG-CZ3 4.3Å; I274-W299 HydrophobicContact CD1-CH2 4.38Å; I274-W299 HydrophobicContact CG1-CH2 3.85Å; I274-W299 HydrophobicContact CG1-CZ3 3.8Å; H290-W299 HydrophobicContact CB-CE3 3.94Å; H290-W299 HydrophobicContact CB-CZ3 4.08Å; A291-W299 CarbonylContact O-C 3.57Å; A291-W299 WeakPolarHBondContact O-CA 3.29Å; Y292-W299 AromaticContact CD2-CD1 3.88Å; Y292-W299 AromaticContact CD2-CD2 3.62Å; Y292-W299 HydrophobicContact CD2-CD2 3.62Å; Y292-W299 AromaticContact CD2-CE2 3.36Å; Y292-W299 HydrophobicContact CD2-CE3 4.15Å; Y292-W299 AromaticContact CD2-CG 3.95Å; Y292-W299 HydrophobicContact CD2-CG 3.95Å; Y292-W299 HydrophobicContact CD2-CH2 4.19Å; Y292-W299 AromaticContact CD2-CZ2 3.66Å; Y292-W299 HydrophobicContact CD2-CZ2 3.66Å; Y292-W299 HydrophobicContact CD2-CZ3 4.42Å; Y292-W299 AromaticContact CD2-NE1 3.55Å; Y292-W299 HydrophobicContact CE2-CD2 4.47Å; Y292-W299 HydrophobicContact CE2-CG 4.49Å; Y292-W299 HydrophobicContact CE2-CZ2 4.42Å; Y292-W299 AromaticContact CE2-NE1 3.73Å; Y292-W299 HydrophobicContact CG-CD2 4.46Å; Y292-W299 HydrophobicContact CG-CZ2 4.38Å
300	E	96.8	Very high	97.7	Very high	57 Å²	57	63.1 Å²	63.1	27%	0.266	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134	174.1	-60.7	171.8	-173.5	0	0	107.8	R271 H290 A291 N293	R271-E300 IonicContact CZ-OE1 3.78Å; R271-E300 IonicContact CZ-OE2 3.5Å; R271-E300 IonicContact NE-OE1 3.54Å; R271-E300 IonicContact NE-OE2 2.78Å; R271-E300 PolarHBondContact NE-OE2 2.96Å; R271-E300 IonicContact NH2-OE1 3.14Å; R271-E300 PolarHBondContact NH2-OE1 3.32Å; R271-E300 VanDerWaalsContact NH2-OE1 3.14Å; R271-E300 IonicContact NH2-OE2 3.32Å; R271-E300 PolarHBondContact NH2-OE2 2.77Å; H290-E300 WeakPolarHBondContact CA-O 3.44Å; A291-E300 PolarHBondContact N-O 2.82Å; A291-E300 PolarHBondContact O-N 2.93Å; N293-E300 WeakPolarHBondContact CB-OE1 3.23Å; N293-E300 PolarHBondContact ND2-OE1 2.89Å
301	E	97.1	Very high	97.7	Very high	109 Å²	109	63.5 Å²	63.5	51%	0.509	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.8	167.5	-173.4	-175.8	90.1	0	0	109.1	K288	K288-E301 HydrophobicContact CB-CG 4.29Å; K288-E301 HydrophobicContact CD-CG 4.45Å; K288-E301 WeakPolarHBondContact CD-OE1 3.45Å; K288-E301 VanDerWaalsContact CE-OE1 3.29Å; K288-E301 WeakPolarHBondContact CE-OE1 3.18Å; K288-E301 IonicContact NZ-OE1 2.71Å; K288-E301 PolarHBondContact NZ-OE1 2.95Å; K288-E301 IonicContact NZ-OE2 3.64Å
302	I	97.8	Very high	97.7	Very high	21 Å²	21	67.2 Å²	67.2	11%	0.108	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.5	-178.4	-58.6	179.7	0	0	0	109.2	Y273 K288 I289 A291 T304 F351	Y273-I302 HydrophobicContact CD1-CD1 4.25Å; Y273-I302 HydrophobicContact CE1-CD1 3.7Å; K288-I302 WeakPolarHBondContact CA-O 3.22Å; I289-I302 HydrophobicContact CG1-CB 4Å; I289-I302 HydrophobicContact CG1-CG2 4.48Å; I289-I302 PolarHBondContact N-O 3Å; I289-I302 PolarHBondContact O-N 2.98Å; A291-I302 HydrophobicContact CB-CD1 3.55Å; A291-I302 HydrophobicContact CB-CG1 4.27Å; I302-T304 PolarHBondContact O-N 2.76Å; I302-F351 HydrophobicContact CD1-CE1 3.86Å; I302-F351 HydrophobicContact CD1-CE2 4.34Å; I302-F351 HydrophobicContact CD1-CZ 3.66Å; I302-F351 HydrophobicContact CG2-CB 4.34Å; I302-F351 HydrophobicContact CG2-CD1 3.71Å; I302-F351 HydrophobicContact CG2-CD2 3.74Å; I302-F351 HydrophobicContact CG2-CE1 3.88Å; I302-F351 HydrophobicContact CG2-CE2 3.9Å; I302-F351 HydrophobicContact CG2-CG 3.64Å; I302-F351 HydrophobicContact CG2-CZ 3.98Å
303	A	98.3	Very high	97.7	Very high	73 Å²	73	67.3 Å²	67.3	60%	0.603	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	117.5	168.5	0	0	0	0	0	110
304	T	98.6	Very high	97.7	Very high	10 Å²	10	68.7 Å²	68.7	6%	0.061	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-83.6	161.2	173.7	68.6	0	0	0	0	111	L286 N287 I289 I302 F312 L346 F351 W353	L286-T304 PolarHBondContact O-OG1 2.93Å; N287-T304 VanDerWaalsContact C-OG1 3.26Å; N287-T304 VanDerWaalsContact CA-OG1 3.32Å; N287-T304 WeakPolarHBondContact CA-OG1 3.31Å; N287-T304 PolarHBondContact O-N 2.84Å; N287-T304 PolarHBondContact O-OG1 2.91Å; I289-T304 HydrophobicContact CD1-CG2 4.09Å; I289-T304 HydrophobicContact CG1-CG2 4Å; I289-T304 HydrophobicContact CG2-CG2 4.05Å; I302-T304 PolarHBondContact O-N 2.76Å; T304-F312 WeakPolarHBondContact O-CE1 3.26Å; T304-F312 WeakPolarHBondContact OG1-CE1 3.21Å; T304-L346 HydrophobicContact CG2-CD1 4.29Å; T304-F351 CarbonylContact C-O 3.37Å; T304-F351 WeakPolarHBondContact CA-O 3.3Å; T304-F351 WeakPolarHBondContact CB-O 3.48Å; T304-W353 PolarHBondContact OG1-NE1 2.73Å; T304-W353 VanDerWaalsContact OG1-NE1 3.15Å
305	K	98.7	Very high	97.8	Very high	113 Å²	113	68 Å²	68	49%	0.491	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-102.1	135.1	178.6	-59.3	175.9	-175.7	173.3	0	110.4	F351 Q352 W353	K305-F351 PolarHBondContact N-O 2.82Å; K305-Q352 PolarHBondContact O-NE2 2.92Å; K305-W353 WeakPolarHBondContact O-CB 3.49Å; K305-W353 PolarHBondContact O-N 3.05Å
306	P	98.6	Very high	97.8	Very high	54 Å²	54	60 Å²	60	35%	0.351	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-74.2	156.2	-177.9	29.9	-32.3	0	0	0	111.3	E308 F312 Q352	P306-E308 PolarHBondContact O-N 3.29Å; P306-F312 HydrophobicContact CB-CD1 4.07Å; P306-F312 HydrophobicContact CB-CD2 3.96Å; P306-F312 HydrophobicContact CB-CE1 3.83Å; P306-F312 HydrophobicContact CB-CE2 3.73Å; P306-F312 HydrophobicContact CB-CG 4.13Å; P306-F312 HydrophobicContact CB-CZ 3.67Å; P306-F312 HydrophobicContact CG-CE1 4.36Å; P306-F312 HydrophobicContact CG-CE2 4.1Å; P306-F312 HydrophobicContact CG-CZ 3.87Å; P306-Q352 VanDerWaalsContact C-NE2 3.29Å; P306-Q352 PolarHBondContact O-NE2 2.9Å
307	H	98.2	Very high	97.9	Very high	43 Å²	43	57.1 Å²	57.1	20%	0.199	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-63.4	127	163.7	176.5	-72.1	0	0	0	109.5	K309 I310 G311 W344 W353	H307-K309 VanDerWaalsContact C-N 3.27Å; H307-K309 PolarHBondContact ND1-N 3.01Å; H307-K309 PolarHBondContact O-N 3.06Å; H307-I310 HydrophobicContact CB-CB 4.37Å; H307-I310 PolarHBondContact ND1-N 2.88Å; H307-I310 PolarHBondContact O-N 2.74Å; H307-G311 WeakPolarHBondContact CB-O 3.42Å; H307-G311 PolarHBondContact N-O 3.37Å; H307-G311 PolarHBondContact O-N 2.91Å; H307-W344 HydrophobicContact CB-CH2 4.36Å; H307-W344 HydrophobicContact CB-CZ3 3.8Å; H307-W353 WeakPolarHBondContact CA-O 3.26Å
308	E	95.6	Very high	97.9	Very high	185 Å²	185	55.3 Å²	55.3	86%	0.864	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.9	-45.5	-169.6	-64.2	177.6	177.9	0	0	114.9	P306	P306-E308 PolarHBondContact O-N 3.29Å
309	K	97.1	Very high	98	Very high	190 Å²	190	54.5 Å²	54.5	83%	0.826	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-20.6	-176.8	-60.4	-176.6	-179.3	-179.9	0	115.7	H307	H307-K309 VanDerWaalsContact C-N 3.27Å; H307-K309 PolarHBondContact ND1-N 3.01Å; H307-K309 PolarHBondContact O-N 3.06Å
310	I	97.1	Very high	98	Very high	90 Å²	90	54.2 Å²	54.2	46%	0.462	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-22.6	-165.1	-57.4	175.1	0	0	0	110.9	H307 W344 K355	H307-I310 HydrophobicContact CB-CB 4.37Å; H307-I310 PolarHBondContact ND1-N 2.88Å; H307-I310 PolarHBondContact O-N 2.74Å; I310-W344 HydrophobicContact CB-CH2 4.26Å; I310-W344 HydrophobicContact CG2-CH2 3.77Å; I310-W344 HydrophobicContact CG2-CZ2 4.09Å; I310-K355 HydrophobicContact CD1-CB 4.02Å; I310-K355 HydrophobicContact CD1-CD 3.82Å; I310-K355 HydrophobicContact CG2-CD 4.16Å
311	G	98.1	Very high	98.1	Very high	24 Å²	24	52.2 Å²	52.2	25%	0.247	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	87.8	-147.9	-174	0	0	0	0	0	112.2	H307 W344	H307-G311 WeakPolarHBondContact CB-O 3.42Å; H307-G311 PolarHBondContact N-O 3.37Å; H307-G311 PolarHBondContact O-N 2.91Å; G311-W344 WeakPolarHBondContact O-CH2 3.09Å
312	F	98.6	Very high	98.2	Very high	78 Å²	78	47.5 Å²	47.5	34%	0.342	26%	0.257	S	S	.	.	S	Bend	trans	-90.1	157.5	-178.1	-65.4	-78.8	0	0	0	112	N287 T304 P306 A314 W353	N287-F312 HydrophobicContact CB-CD1 3.79Å; N287-F312 HydrophobicContact CB-CD2 3.87Å; N287-F312 HydrophobicContact CB-CE1 3.74Å; N287-F312 HydrophobicContact CB-CE2 3.82Å; N287-F312 HydrophobicContact CB-CG 3.85Å; N287-F312 HydrophobicContact CB-CZ 3.74Å; T304-F312 WeakPolarHBondContact O-CE1 3.26Å; T304-F312 WeakPolarHBondContact OG1-CE1 3.21Å; P306-F312 HydrophobicContact CB-CD1 4.07Å; P306-F312 HydrophobicContact CB-CD2 3.96Å; P306-F312 HydrophobicContact CB-CE1 3.83Å; P306-F312 HydrophobicContact CB-CE2 3.73Å; P306-F312 HydrophobicContact CB-CG 4.13Å; P306-F312 HydrophobicContact CB-CZ 3.67Å; P306-F312 HydrophobicContact CG-CE1 4.36Å; P306-F312 HydrophobicContact CG-CE2 4.1Å; P306-F312 HydrophobicContact CG-CZ 3.87Å; F312-A314 PolarHBondContact O-N 3.05Å; F312-W353 AromaticContact CD1-CD1 3.84Å
313	P	98.6	Very high	98.2	Very high	3 Å²	3	49 Å²	49	2%	0.019	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-56.1	140.7	161.9	-10	19.5	0	0	0	110.2	L286 I330 W344 W353	L286-P313 HydrophobicContact CB-CG 4.43Å; L286-P313 HydrophobicContact CD1-CB 3.86Å; L286-P313 HydrophobicContact CD1-CG 4.22Å; P313-I330 HydrophobicContact CB-CD1 4.1Å; P313-I330 HydrophobicContact CG-CD1 4.25Å; P313-W344 HydrophobicContact CB-CB 4.39Å; P313-W344 HydrophobicContact CB-CD2 3.74Å; P313-W344 HydrophobicContact CB-CE3 4.31Å; P313-W344 HydrophobicContact CB-CG 3.76Å; P313-W344 HydrophobicContact CB-CZ2 4.37Å; P313-W344 HydrophobicContact CG-CB 4.04Å; P313-W344 HydrophobicContact CG-CD2 3.54Å; P313-W344 HydrophobicContact CG-CE3 3.65Å; P313-W344 HydrophobicContact CG-CG 3.72Å; P313-W344 HydrophobicContact CG-CZ3 4.22Å; P313-W353 HydrophobicContact CG-CD2 3.49Å; P313-W353 VanDerWaalsContact CG-CD2 3.49Å; P313-W353 HydrophobicContact CG-CE3 3.57Å; P313-W353 HydrophobicContact CG-CG 3.95Å; P313-W353 HydrophobicContact CG-CH2 4.26Å; P313-W353 HydrophobicContact CG-CZ2 4.2Å; P313-W353 HydrophobicContact CG-CZ3 3.96Å
314	A	98.4	Very high	98.2	Very high	39 Å²	39	47 Å²	47	32%	0.322	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-56.2	145.6	172.2	0	0	0	0	0	111.1	F312 R316 L340	F312-A314 PolarHBondContact O-N 3.05Å; A314-R316 PolarHBondContact O-N 2.77Å; A314-R316 PolarHBondContact O-NE 3.35Å; A314-L340 HydrophobicContact CB-CD1 4.26Å; A314-L340 HydrophobicContact CB-CD2 4.36Å
315	A	98.6	Very high	98.1	Very high	29 Å²	29	55.3 Å²	55.3	24%	0.24	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-51.3	136.6	169.3	0	0	0	0	0	110.1	A283 Y284 N335	A283-A315 HydrophobicContact CB-CB 4.27Å; Y284-A315 WeakPolarHBondContact O-CA 3.43Å; Y284-A315 WeakPolarHBondContact O-CB 2.99Å; A315-N335 WeakPolarHBondContact O-CA 3.42Å; A315-N335 WeakPolarHBondContact O-CB 3.48Å
316	R	98.6	Very high	98.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.268	C	S	.	.			trans	-157.5	145.6	-171.8	61.9	-175.8	77.2	-153.7	1.4	114	G277 Y284 L286 A314 H319 G332 L340 D342	G277-R316 PolarHBondContact N-O 2.89Å; Y284-R316 PolarHBondContact O-N 3.32Å; L286-R316 HydrophobicContact CD1-CG 4.03Å; A314-R316 PolarHBondContact O-N 2.77Å; A314-R316 PolarHBondContact O-NE 3.35Å; R316-H319 HydrophobicContact CG-CB 4.27Å; R316-H319 PolarHBondContact O-ND1 2.72Å; R316-G332 PolarHBondContact NH1-O 2.77Å; R316-L340 HydrophobicContact CB-CD1 3.72Å; R316-D342 IonicContact CZ-OD1 2.73Å; R316-D342 IonicContact NH1-OD1 3.02Å; R316-D342 PolarHBondContact NH1-OD1 2.76Å; R316-D342 IonicContact NH2-OD1 3.77Å; R316-D342 PolarHBondContact NH2-OD1 3.35Å; R316-D342 VanDerWaalsContact NH2-OD1 3.13Å; R316-D342 IonicContact NH2-OD2 2.8Å; R316-D342 PolarHBondContact NH2-OD2 2.83Å
317	R	98.2	Very high	98.1	Very high	10 Å²	10	51.5 Å²	51.5	4%	0.038	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-125.2	163.4	166.3	60.3	177.3	175.9	153.3	-7	110.2	Y261 R262 T279 S280 A283 H319 G333 Y334	Y261-R317 PolarHBondContact OH-NH1 3.13Å; R262-R317 HydrophobicContact CB-CB 4.41Å; T279-R317 PolarHBondContact O-NH1 2.96Å; S280-R317 PolarHBondContact O-NH1 3.07Å; S280-R317 PolarHBondContact O-NH2 2.7Å; A283-R317 HydrophobicContact CB-CG 4.46Å; R317-H319 PolarHBondContact O-N 3.13Å; R317-H319 VanDerWaalsContact O-N 3.11Å; R317-G333 WeakPolarHBondContact O-CA 3.28Å; R317-Y334 WeakPolarHBondContact CG-O 3.25Å; R317-Y334 PolarHBondContact N-O 2.85Å; R317-Y334 PolarHBondContact O-N 2.83Å
318	C	98.3	Very high	98.1	Very high	4 Å²	4	49.4 Å²	49.4	3%	0.027	25%	0.25	C	S	.	.	S	Bend	trans	57.9	25.6	177.5	-45.7	0	0	0	0	113.2	R262 Y365 F366	R262-C318 HydrophobicContact CB-CB 4.38Å; R262-C318 VanDerWaalsContact CB-SG 3.56Å; R262-C318 VanDerWaalsContact CG-SG 3.56Å; R262-C318 PolarHBondContact O-N 3.04Å; C318-Y365 HydrophobicContact CB-CD2 4.04Å; C318-Y365 WeakPolarHBondContact O-CA 3.25Å; C318-F366 HydrophobicContact CB-CD1 4.03Å; C318-F366 HydrophobicContact CB-CD2 4.27Å; C318-F366 HydrophobicContact CB-CE1 4.29Å; C318-F366 HydrophobicContact CB-CG 4.02Å; C318-F366 PolarHBondContact O-N 2.84Å; C318-F366 VanDerWaalsContact SG-CE1 3.5Å; C318-F366 VanDerWaalsContact SG-CZ 3.5Å
319	H	98.7	Very high	98.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.009	21%	0.21	C	C	.	.			trans	-83.1	169.6	168.4	61.8	-78.8	0	0	0	108.7	L275 R316 R317 C331 G332	L275-H319 PolarHBondContact O-CE1 2.79Å; L275-H319 VanDerWaalsContact O-CE1 3.31Å; R316-H319 HydrophobicContact CG-CB 4.27Å; R316-H319 PolarHBondContact O-ND1 2.72Å; R317-H319 PolarHBondContact O-N 3.13Å; R317-H319 VanDerWaalsContact O-N 3.11Å; H319-C331 WeakPolarHBondContact CB-O 3.35Å; H319-G332 VanDerWaalsContact CB-O 3.27Å; H319-G332 WeakPolarHBondContact CB-O 3.33Å
320	S	98.7	Very high	98.3	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.028	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	153.5	169.2	-60.6	0	0	0	0	111	I330 C331 H367 C368 A369	S320-I330 CarbonylContact O-C 3.59Å; S320-I330 VanDerWaalsContact O-CA 3.29Å; S320-I330 WeakPolarHBondContact O-CA 3.46Å; S320-C331 PolarHBondContact N-O 2.78Å; S320-C331 PolarHBondContact O-N 2.91Å; S320-H367 VanDerWaalsContact CB-NE2 3.35Å; S320-H367 WeakPolarHBondContact CB-NE2 3.44Å; S320-H367 PolarHBondContact N-NE2 2.96Å; S320-H367 PolarHBondContact OG-CD2 2.81Å; S320-H367 PolarHBondContact OG-NE2 2.83Å; S320-H367 PolarHBondContact OG-O 2.83Å; S320-C368 WeakPolarHBondContact OG-CA 3.46Å; S320-A369 VanDerWaalsContact CB-CB 3.43Å; S320-A369 PolarHBondContact OG-N 3.34Å
321	C	98.6	Very high	98.4	Very high	15 Å²	15	27.4 Å²	27.4	10%	0.101	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.7	176.5	-179.3	0	0	0	0	109.8	E264 V328 F329 I330	E264-C321 HydrophobicContact CB-CB 3.24Å; E264-C321 HydrophobicContact CG-CB 3.49Å; E264-C321 VanDerWaalsContact CG-CB 3.49Å; C321-V328 WeakPolarHBondContact SG-CG1 3.39Å; C321-F329 CarbonylContact C-O 3.56Å; C321-F329 VanDerWaalsContact CA-O 3.23Å; C321-F329 WeakPolarHBondContact CA-O 3.47Å; C321-I330 HydrophobicContact CB-CG2 4.36Å
322	V	98.7	Very high	98.4	Very high	10 Å²	10	26.3 Å²	26.3	6%	0.061	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.3	167.6	-61.1	0	0	0	0	109.7	F329 A369 V371 M377 L400	V322-F329 HydrophobicContact CG2-CB 3.91Å; V322-F329 PolarHBondContact N-O 2.98Å; V322-F329 PolarHBondContact O-N 3.07Å; V322-A369 HydrophobicContact CG1-CB 3.93Å; V322-V371 HydrophobicContact CB-CB 3.83Å; V322-V371 HydrophobicContact CB-CG1 3.82Å; V322-V371 HydrophobicContact CG1-CB 4.11Å; V322-V371 HydrophobicContact CG1-CG1 4.36Å; V322-V371 HydrophobicContact CG2-CB 4.07Å; V322-V371 HydrophobicContact CG2-CG1 4.45Å; V322-M377 HydrophobicContact CG1-CG 4.31Å; V322-M377 HydrophobicContact CG1-SD 4.25Å; V322-M377 HydrophobicContact CG2-CB 4.47Å; V322-M377 HydrophobicContact CG2-CG 4.06Å; V322-M377 HydrophobicContact CG2-SD 3.49Å; V322-M377 WeakPolarHBondContact CG2-SD 3.21Å; V322-L400 HydrophobicContact CG2-CD1 3.73Å
323	Q	98.6	Very high	98.4	Very high	52 Å²	52	22.6 Å²	22.6	24%	0.243	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.1	-176.4	-177.3	176.4	-8.6	0	0	111	H267 K325 D327 V328	H267-Q323 VanDerWaalsContact N-OE1 3.12Å; H267-Q323 PolarHBondContact O-NE2 2.89Å; Q323-K325 WeakPolarHBondContact CG-O 3.27Å; Q323-K325 PolarHBondContact NE2-O 2.81Å; Q323-D327 WeakPolarHBondContact CA-O 3.23Å; Q323-V328 HydrophobicContact CB-CG2 4.4Å; Q323-V328 HydrophobicContact CG-CG2 3.97Å
324	I	98.1	Very high	98.4	Very high	32 Å²	32	23.5 Å²	23.5	16%	0.164	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	105.6	170.4	-55.5	171.4	0	0	0	107.2	N326 D327 F329 V371 L400 V401	I324-N326 PolarHBondContact O-N 2.96Å; I324-N326 VanDerWaalsContact O-N 3.17Å; I324-D327 PolarHBondContact N-O 3.25Å; I324-D327 PolarHBondContact O-N 2.8Å; I324-F329 HydrophobicContact CB-CE2 4.41Å; I324-F329 HydrophobicContact CD1-CE2 4.07Å; I324-F329 HydrophobicContact CG1-CE2 4.32Å; I324-V371 HydrophobicContact CD1-CG2 3.91Å; I324-V371 HydrophobicContact CG1-CG2 3.93Å; I324-L400 HydrophobicContact CD1-CB 3.92Å; I324-L400 HydrophobicContact CD1-CD1 4.18Å; I324-V401 HydrophobicContact CD1-CG1 3.9Å; I324-V401 HydrophobicContact CG2-CG1 4.4Å
325	K	96.6	Very high	98.4	Very high	184 Å²	184	23.8 Å²	23.8	80%	0.8	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	-119.9	-174.9	-56	177.1	178.6	179.9	0	110.1	Q323	Q323-K325 WeakPolarHBondContact CG-O 3.27Å; Q323-K325 PolarHBondContact NE2-O 2.81Å
326	N	97.8	Very high	98.2	Very high	52 Å²	52	23.8 Å²	23.8	28%	0.278	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-6.1	-179.6	-62.3	-25	0	0	0	113.9	I324 L348 Q349	I324-N326 PolarHBondContact O-N 2.96Å; I324-N326 VanDerWaalsContact O-N 3.17Å; N326-L348 WeakPolarHBondContact O-CG 3.29Å; N326-L348 PolarHBondContact O-N 3.25Å; N326-Q349 HydrophobicContact CB-CG 4.41Å; N326-Q349 PolarHBondContact ND2-NE2 2.85Å; N326-Q349 PolarHBondContact ND2-OE1 2.7Å
327	D	98.6	Very high	98	Very high	35 Å²	35	31.7 Å²	31.7	19%	0.187	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.1	-178.2	-77	-10.4	0	0	0	109.7	Q323 I324 F329 K345 N347	Q323-D327 WeakPolarHBondContact CA-O 3.23Å; I324-D327 PolarHBondContact N-O 3.25Å; I324-D327 PolarHBondContact O-N 2.8Å; D327-F329 HydrophobicContact CB-CE2 3.73Å; D327-F329 HydrophobicContact CB-CZ 4.08Å; D327-K345 HydrophobicContact CB-CD 3.95Å; D327-K345 HydrophobicContact CB-CG 4.07Å; D327-K345 IonicContact OD1-NZ 3.04Å; D327-K345 WeakPolarHBondContact OD2-CD 3.46Å; D327-K345 IonicContact OD2-NZ 2.77Å; D327-K345 PolarHBondContact OD2-NZ 2.86Å; D327-N347 PolarHBondContact OD1-ND2 3.32Å
328	V	98.8	Very high	98	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.2	179.2	178.7	0	0	0	0	108.6	A266 L275 C321 Q323 K345 L346 L348	A266-V328 HydrophobicContact CB-CB 4.41Å; A266-V328 HydrophobicContact CB-CG1 3.99Å; A266-V328 HydrophobicContact CB-CG2 3.47Å; A266-V328 VanDerWaalsContact CB-CG2 3.47Å; L275-V328 HydrophobicContact CD1-CG1 4.35Å; L275-V328 HydrophobicContact CD2-CG1 3.88Å; C321-V328 WeakPolarHBondContact SG-CG1 3.39Å; Q323-V328 HydrophobicContact CB-CG2 4.4Å; Q323-V328 HydrophobicContact CG-CG2 3.97Å; V328-K345 CarbonylContact O-C 3.44Å; V328-K345 VanDerWaalsContact O-CA 3.26Å; V328-K345 WeakPolarHBondContact O-CA 3.39Å; V328-L346 HydrophobicContact CB-CB 4.43Å; V328-L346 PolarHBondContact N-O 3.48Å; V328-L346 PolarHBondContact O-N 2.91Å; V328-L348 HydrophobicContact CG2-CD1 3.64Å; V328-L348 HydrophobicContact CG2-CD2 3.9Å; V328-L348 HydrophobicContact CG2-CG 3.67Å
329	F	98.8	Very high	98	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.013	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.7	-178.1	-60.2	-99.4	0	0	0	110	C321 V322 I324 D327 W344 K345 L356 L400	C321-F329 CarbonylContact C-O 3.56Å; C321-F329 VanDerWaalsContact CA-O 3.23Å; C321-F329 WeakPolarHBondContact CA-O 3.47Å; V322-F329 HydrophobicContact CG2-CB 3.91Å; V322-F329 PolarHBondContact N-O 2.98Å; V322-F329 PolarHBondContact O-N 3.07Å; I324-F329 HydrophobicContact CB-CE2 4.41Å; I324-F329 HydrophobicContact CD1-CE2 4.07Å; I324-F329 HydrophobicContact CG1-CE2 4.32Å; D327-F329 HydrophobicContact CB-CE2 3.73Å; D327-F329 HydrophobicContact CB-CZ 4.08Å; F329-W344 CarbonylContact C-O 3.56Å; F329-W344 WeakPolarHBondContact CA-O 3.45Å; F329-K345 HydrophobicContact CD1-CB 3.91Å; F329-K345 HydrophobicContact CD1-CD 4.37Å; F329-K345 HydrophobicContact CD1-CG 4.01Å; F329-K345 HydrophobicContact CE1-CB 3.87Å; F329-K345 HydrophobicContact CE1-CD 3.53Å; F329-K345 HydrophobicContact CE1-CG 3.66Å; F329-K345 HydrophobicContact CE2-CD 4.39Å; F329-K345 HydrophobicContact CE2-CG 4.37Å; F329-K345 HydrophobicContact CZ-CD 3.54Å; F329-K345 HydrophobicContact CZ-CG 3.87Å; F329-L356 HydrophobicContact CD1-CD1 4.2Å; F329-L356 HydrophobicContact CD1-CD2 4.17Å; F329-L356 HydrophobicContact CE1-CD1 4.16Å; F329-L356 HydrophobicContact CE1-CD2 4.12Å; F329-L400 HydrophobicContact CB-CD1 4.08Å; F329-L400 HydrophobicContact CD1-CB 4.5Å; F329-L400 HydrophobicContact CD1-CD1 3.99Å; F329-L400 HydrophobicContact CD1-CD2 3.79Å; F329-L400 HydrophobicContact CD1-CG 4.32Å; F329-L400 HydrophobicContact CD2-CD1 3.74Å; F329-L400 HydrophobicContact CE1-CB 4.05Å; F329-L400 HydrophobicContact CE1-CD1 4.32Å; F329-L400 HydrophobicContact CE1-CD2 3.99Å; F329-L400 HydrophobicContact CE1-CG 4.36Å; F329-L400 HydrophobicContact CE2-CB 4.32Å; F329-L400 HydrophobicContact CE2-CD1 4.11Å; F329-L400 HydrophobicContact CG-CD1 3.68Å; F329-L400 HydrophobicContact CG-CD2 4.3Å; F329-L400 HydrophobicContact CG-CG 4.49Å; F329-L400 HydrophobicContact CZ-CB 3.95Å; F329-L400 HydrophobicContact CZ-CD1 4.37Å
330	I	98.8	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	142.9	172.3	61.4	175.2	0	0	0	109.9	L275 L286 P313 S320 C321 I343 W344 W353	L275-I330 HydrophobicContact CD2-CG2 4.14Å; L286-I330 HydrophobicContact CD1-CD1 3.37Å; P313-I330 HydrophobicContact CB-CD1 4.1Å; P313-I330 HydrophobicContact CG-CD1 4.25Å; S320-I330 CarbonylContact O-C 3.59Å; S320-I330 VanDerWaalsContact O-CA 3.29Å; S320-I330 WeakPolarHBondContact O-CA 3.46Å; C321-I330 HydrophobicContact CB-CG2 4.36Å; I330-I343 WeakPolarHBondContact O-CA 3.39Å; I330-W344 HydrophobicContact CD1-CB 4.15Å; I330-W344 HydrophobicContact CG1-CB 3.75Å; I330-W344 PolarHBondContact N-O 2.79Å; I330-W344 PolarHBondContact O-N 3.18Å; I330-W353 HydrophobicContact CD1-CH2 3.61Å; I330-W353 HydrophobicContact CD1-CZ3 3.71Å; I330-W353 HydrophobicContact CG1-CH2 4.2Å; I330-W353 HydrophobicContact CG1-CZ3 3.95Å
331	C	98.7	Very high	98	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	146.5	176.9	62.5	0	0	0	0	113	H319 S320 D342 I343 M360 H367 I379	H319-C331 WeakPolarHBondContact CB-O 3.35Å; S320-C331 PolarHBondContact N-O 2.78Å; S320-C331 PolarHBondContact O-N 2.91Å; C331-D342 WeakPolarHBondContact CA-O 3.47Å; C331-I343 HydrophobicContact CB-CB 4.5Å; C331-I343 HydrophobicContact CB-CG1 3.97Å; C331-I343 HydrophobicContact CB-CG2 4.4Å; C331-M360 HydrophobicContact CB-SD 4.07Å; C331-H367 PolarHBondContact O-CE1 3.06Å; C331-H367 PolarHBondContact O-NE2 3.33Å; C331-I379 HydrophobicContact CB-CD1 4.44Å
332	G	98.6	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.			trans	58.6	-148.7	179.2	0	0	0	0	0	114.1	R316 H319 L340 D342	R316-G332 PolarHBondContact NH1-O 2.77Å; H319-G332 VanDerWaalsContact CB-O 3.27Å; H319-G332 WeakPolarHBondContact CB-O 3.33Å; G332-L340 WeakPolarHBondContact CA-O 3.37Å; G332-D342 PolarHBondContact N-O 3.5Å
333	G	98.5	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.			trans	100.9	-169.6	-177	0	0	0	0	0	113.4	R317 L340 V364	R317-G333 WeakPolarHBondContact O-CA 3.28Å; G333-L340 PolarHBondContact O-N 3.02Å; G333-V364 PolarHBondContact N-O 3.09Å
334	Y	98.2	Very high	98	Very high	22 Å²	22	34.9 Å²	34.9	9%	0.086	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-137.4	133.4	-177.5	-178.8	-123.6	0	0	0	110.1	R317 G336 E337 V338 I339 I386	R317-Y334 WeakPolarHBondContact CG-O 3.25Å; R317-Y334 PolarHBondContact N-O 2.85Å; R317-Y334 PolarHBondContact O-N 2.83Å; Y334-G336 VanDerWaalsContact CE1-CA 3.47Å; Y334-G336 VanDerWaalsContact CZ-O 3.28Å; Y334-G336 PolarHBondContact OH-O 2.98Å; Y334-E337 VanDerWaalsContact CE2-C 3.5Å; Y334-V338 VanDerWaalsContact CD2-O 3.23Å; Y334-V338 WeakPolarHBondContact CD2-O 3.5Å; Y334-I339 HydrophobicContact CD2-CG1 4.36Å; Y334-I386 HydrophobicContact CD2-CD1 3.88Å; Y334-I386 HydrophobicContact CE1-CD1 4.32Å; Y334-I386 HydrophobicContact CE2-CD1 3.31Å
335	N	97.6	Very high	98	Very high	46 Å²	46	36.1 Å²	36.1	25%	0.246	19%	0.185	C	C	.	.			trans	-97.3	-4.1	-179.2	71.4	-11.4	0	0	0	113.8	A315 E337 V338 L340	A315-N335 WeakPolarHBondContact O-CA 3.42Å; A315-N335 WeakPolarHBondContact O-CB 3.48Å; N335-E337 PolarHBondContact OD1-N 3.17Å; N335-V338 PolarHBondContact N-O 3.33Å; N335-V338 PolarHBondContact OD1-N 2.87Å; N335-V338 PolarHBondContact OD1-O 2.99Å; N335-L340 HydrophobicContact CB-CD1 4.48Å
336	G	94.6	Very high	98.1	Very high	29 Å²	29	27.3 Å²	27.3	30%	0.299	15%	0.147	S	C	.	.	S	Bend	trans	111	-17	-171.5	0	0	0	0	0	113.5	Y334	Y334-G336 VanDerWaalsContact CE1-CA 3.47Å; Y334-G336 VanDerWaalsContact CZ-O 3.28Å; Y334-G336 PolarHBondContact OH-O 2.98Å
337	E	95.4	Very high	98.1	Very high	165 Å²	165	26.3 Å²	26.3	77%	0.771	14%	0.142	S	C	*	.	S	Bend	trans	-129.5	-47.6	-176.7	-60.7	179.7	161.9	0	0	111.8	Y334 N335	Y334-E337 VanDerWaalsContact CE2-C 3.5Å; N335-E337 PolarHBondContact OD1-N 3.17Å
338	V	97.2	Very high	98.1	Very high	83 Å²	83	24.9 Å²	24.9	50%	0.503	13%	0.134	S	C	.	.			trans	-126	138.3	-171.4	-178.8	0	0	0	0	110.8	Y334 N335 L340	Y334-V338 VanDerWaalsContact CD2-O 3.23Å; Y334-V338 WeakPolarHBondContact CD2-O 3.5Å; N335-V338 PolarHBondContact N-O 3.33Å; N335-V338 PolarHBondContact OD1-N 2.87Å; N335-V338 PolarHBondContact OD1-O 2.99Å; V338-L340 PolarHBondContact O-N 3.31Å
339	I	98.4	Very high	98.1	Very high	27 Å²	27	31.6 Å²	31.6	14%	0.138	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-74.5	118.9	166.9	-56	175.3	0	0	0	107.9	Y334 P363 V364 Y365 V384 I386	Y334-I339 HydrophobicContact CD2-CG1 4.36Å; I339-P363 HydrophobicContact CB-CB 4.35Å; I339-P363 HydrophobicContact CG2-CB 3.9Å; I339-P363 WeakPolarHBondContact CG2-O 3.12Å; I339-P363 WeakPolarHBondContact O-CB 3.38Å; I339-V364 VanDerWaalsContact CG2-CA 3.49Å; I339-V364 VanDerWaalsContact CG2-N 3.32Å; I339-Y365 HydrophobicContact CD1-CD1 3.88Å; I339-Y365 HydrophobicContact CD1-CE1 3.83Å; I339-Y365 HydrophobicContact CG1-CD1 3.87Å; I339-Y365 HydrophobicContact CG1-CE1 4.07Å; I339-Y365 HydrophobicContact CG2-CD1 4.16Å; I339-V384 WeakPolarHBondContact CD1-O 3.24Å; I339-I386 HydrophobicContact CD1-CD1 4.35Å; I339-I386 HydrophobicContact CD1-CG1 3.88Å; I339-I386 HydrophobicContact CG1-CD1 4.01Å; I339-I386 HydrophobicContact CG1-CG1 4.1Å
340	L	98.6	Very high	98.1	Very high	20 Å²	20	34.8 Å²	34.8	11%	0.105	19%	0.185	C	C	.	.			trans	-80.6	149.8	-177.1	-56.1	172.5	0	0	0	110.3	A314 R316 G332 G333 N335 V338 V364	A314-L340 HydrophobicContact CB-CD1 4.26Å; A314-L340 HydrophobicContact CB-CD2 4.36Å; R316-L340 HydrophobicContact CB-CD1 3.72Å; G332-L340 WeakPolarHBondContact CA-O 3.37Å; G333-L340 PolarHBondContact O-N 3.02Å; N335-L340 HydrophobicContact CB-CD1 4.48Å; V338-L340 PolarHBondContact O-N 3.31Å; L340-V364 PolarHBondContact O-N 3.36Å
341	G	98.2	Very high	98	Very high	8 Å²	8	36.7 Å²	36.7	8%	0.082	19%	0.194	C	C	.	.			trans	-134.4	10.2	174.5	0	0	0	0	0	112.8	T359 M360	G341-T359 CarbonylContact O-C 3.58Å; G341-T359 WeakPolarHBondContact O-CA 3.49Å; G341-T359 WeakPolarHBondContact O-CG2 3.42Å; G341-M360 WeakPolarHBondContact O-CB 3.46Å; G341-M360 WeakPolarHBondContact O-CG 3.33Å; G341-M360 PolarHBondContact O-N 3.34Å
342	D	98.4	Very high	98	Very high	22 Å²	22	39.2 Å²	39.2	12%	0.118	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	161.5	177.7	59.6	-5.3	0	0	0	111.7	R316 C331 G332 W344	R316-D342 IonicContact CZ-OD1 2.73Å; R316-D342 IonicContact NH1-OD1 3.02Å; R316-D342 PolarHBondContact NH1-OD1 2.76Å; R316-D342 IonicContact NH2-OD1 3.77Å; R316-D342 PolarHBondContact NH2-OD1 3.35Å; R316-D342 VanDerWaalsContact NH2-OD1 3.13Å; R316-D342 IonicContact NH2-OD2 2.8Å; R316-D342 PolarHBondContact NH2-OD2 2.83Å; C331-D342 WeakPolarHBondContact CA-O 3.47Å; G332-D342 PolarHBondContact N-O 3.5Å; D342-W344 VanDerWaalsContact CG-NE1 3.34Å; D342-W344 PolarHBondContact OD2-NE1 2.99Å
343	I	98.6	Very high	98	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.7	174	-51.7	159.2	0	0	0	108.4	F45 I330 C331 L356 A358 I398	F45-I343 HydrophobicContact CE2-CD1 3.37Å; F45-I343 HydrophobicContact CE2-CG1 4.31Å; F45-I343 HydrophobicContact CZ-CD1 3.45Å; F45-I343 VanDerWaalsContact CZ-CD1 3.45Å; F45-I343 HydrophobicContact CZ-CG1 4.23Å; I330-I343 WeakPolarHBondContact O-CA 3.39Å; C331-I343 HydrophobicContact CB-CB 4.5Å; C331-I343 HydrophobicContact CB-CG1 3.97Å; C331-I343 HydrophobicContact CB-CG2 4.4Å; I343-L356 HydrophobicContact CB-CB 4.18Å; I343-L356 HydrophobicContact CG2-CB 4.36Å; I343-L356 HydrophobicContact CG2-CD1 4.47Å; I343-L356 HydrophobicContact CG2-CD2 3.9Å; I343-L356 HydrophobicContact CG2-CG 4.47Å; I343-L356 PolarHBondContact O-N 2.82Å; I343-A358 HydrophobicContact CD1-CB 3.7Å; I343-I398 HydrophobicContact CD1-CD1 3.88Å
344	W	98.7	Very high	98	Very high	5 Å²	5	42 Å²	42	2%	0.019	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.9	177.9	-68.5	81.6	0	0	0	110.6	H307 I310 G311 P313 F329 I330 D342 W353 V354 K355	H307-W344 HydrophobicContact CB-CH2 4.36Å; H307-W344 HydrophobicContact CB-CZ3 3.8Å; I310-W344 HydrophobicContact CB-CH2 4.26Å; I310-W344 HydrophobicContact CG2-CH2 3.77Å; I310-W344 HydrophobicContact CG2-CZ2 4.09Å; G311-W344 WeakPolarHBondContact O-CH2 3.09Å; P313-W344 HydrophobicContact CB-CB 4.39Å; P313-W344 HydrophobicContact CB-CD2 3.74Å; P313-W344 HydrophobicContact CB-CE3 4.31Å; P313-W344 HydrophobicContact CB-CG 3.76Å; P313-W344 HydrophobicContact CB-CZ2 4.37Å; P313-W344 HydrophobicContact CG-CB 4.04Å; P313-W344 HydrophobicContact CG-CD2 3.54Å; P313-W344 HydrophobicContact CG-CE3 3.65Å; P313-W344 HydrophobicContact CG-CG 3.72Å; P313-W344 HydrophobicContact CG-CZ3 4.22Å; F329-W344 CarbonylContact C-O 3.56Å; F329-W344 WeakPolarHBondContact CA-O 3.45Å; I330-W344 HydrophobicContact CD1-CB 4.15Å; I330-W344 HydrophobicContact CG1-CB 3.75Å; I330-W344 PolarHBondContact N-O 2.79Å; I330-W344 PolarHBondContact O-N 3.18Å; D342-W344 VanDerWaalsContact CG-NE1 3.34Å; D342-W344 PolarHBondContact OD2-NE1 2.99Å; W344-W353 HydrophobicContact CB-CE3 3.88Å; W344-W353 HydrophobicContact CB-CZ3 3.9Å; W344-W353 HydrophobicContact CE3-CB 4.16Å; W344-W353 HydrophobicContact CE3-CE3 4.49Å; W344-W353 HydrophobicContact CZ3-CB 4.27Å; W344-V354 CarbonylContact C-O 3.57Å; W344-V354 WeakPolarHBondContact CA-O 3.4Å; W344-K355 HydrophobicContact CD2-CB 3.91Å; W344-K355 HydrophobicContact CD2-CG 4.05Å; W344-K355 HydrophobicContact CE3-CB 3.79Å; W344-K355 HydrophobicContact CE3-CG 4.44Å; W344-K355 HydrophobicContact CH2-CB 3.87Å; W344-K355 HydrophobicContact CH2-CD 4.31Å; W344-K355 HydrophobicContact CH2-CG 4.36Å; W344-K355 HydrophobicContact CZ2-CB 3.96Å; W344-K355 HydrophobicContact CZ2-CD 3.77Å; W344-K355 HydrophobicContact CZ2-CG 3.92Å; W344-K355 HydrophobicContact CZ3-CB 3.79Å
345	K	98.6	Very high	98	Very high	57 Å²	57	44.3 Å²	44.3	25%	0.248	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.7	174.2	-173.3	-179.3	87.4	151.2	0	109.5	D327 V328 F329 W353 V354 L356	D327-K345 HydrophobicContact CB-CD 3.95Å; D327-K345 HydrophobicContact CB-CG 4.07Å; D327-K345 IonicContact OD1-NZ 3.04Å; D327-K345 WeakPolarHBondContact OD2-CD 3.46Å; D327-K345 IonicContact OD2-NZ 2.77Å; D327-K345 PolarHBondContact OD2-NZ 2.86Å; V328-K345 CarbonylContact O-C 3.44Å; V328-K345 VanDerWaalsContact O-CA 3.26Å; V328-K345 WeakPolarHBondContact O-CA 3.39Å; F329-K345 HydrophobicContact CD1-CB 3.91Å; F329-K345 HydrophobicContact CD1-CD 4.37Å; F329-K345 HydrophobicContact CD1-CG 4.01Å; F329-K345 HydrophobicContact CE1-CB 3.87Å; F329-K345 HydrophobicContact CE1-CD 3.53Å; F329-K345 HydrophobicContact CE1-CG 3.66Å; F329-K345 HydrophobicContact CE2-CD 4.39Å; F329-K345 HydrophobicContact CE2-CG 4.37Å; F329-K345 HydrophobicContact CZ-CD 3.54Å; F329-K345 HydrophobicContact CZ-CG 3.87Å; K345-W353 CarbonylContact O-C 3.59Å; K345-W353 WeakPolarHBondContact O-CA 3.25Å; K345-V354 PolarHBondContact N-O 2.79Å; K345-V354 PolarHBondContact O-N 2.93Å; K345-L356 HydrophobicContact CB-CD1 3.7Å
346	L	98.8	Very high	98	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.8	166.5	179.3	65.5	0	0	0	108.5	L275 I289 T304 V328 L348 F351 W353	L275-L346 HydrophobicContact CD2-CD2 4.2Å; I289-L346 HydrophobicContact CD1-CD2 3.84Å; T304-L346 HydrophobicContact CG2-CD1 4.29Å; V328-L346 HydrophobicContact CB-CB 4.43Å; V328-L346 PolarHBondContact N-O 3.48Å; V328-L346 PolarHBondContact O-N 2.91Å; L346-L348 HydrophobicContact CD2-CD2 4.14Å; L346-F351 VanDerWaalsContact CD1-C 3.46Å; L346-W353 HydrophobicContact CB-CD2 4.08Å; L346-W353 HydrophobicContact CB-CE3 3.72Å; L346-W353 HydrophobicContact CB-CH2 3.6Å; L346-W353 HydrophobicContact CB-CZ2 3.96Å; L346-W353 HydrophobicContact CB-CZ3 3.48Å; L346-W353 VanDerWaalsContact CB-CZ3 3.48Å; L346-W353 HydrophobicContact CD1-CD2 3.97Å; L346-W353 HydrophobicContact CD1-CE3 4.46Å; L346-W353 HydrophobicContact CD1-CG 4.27Å; L346-W353 HydrophobicContact CD1-CZ2 4.2Å; L346-W353 HydrophobicContact CD2-CH2 4.16Å; L346-W353 HydrophobicContact CD2-CZ2 3.91Å; L346-W353 HydrophobicContact CG-CH2 4.36Å; L346-W353 HydrophobicContact CG-CZ2 4.25Å
347	N	98.6	Very high	98.1	Very high	31 Å²	31	46.7 Å²	46.7	17%	0.166	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.9	168.9	179.6	-90	0	0	0	109.9	D327 Q349 T350 F351 Q352	D327-N347 PolarHBondContact OD1-ND2 3.32Å; N347-Q349 PolarHBondContact O-N 3.19Å; N347-Q349 PolarHBondContact OD1-N 2.88Å; N347-Q349 VanDerWaalsContact OD1-N 3.17Å; N347-T350 WeakPolarHBondContact CB-OG1 3.46Å; N347-T350 PolarHBondContact O-N 3.15Å; N347-T350 PolarHBondContact OD1-N 3.03Å; N347-T350 PolarHBondContact OD1-OG1 3.1Å; N347-F351 WeakPolarHBondContact O-CA 3.5Å; N347-F351 PolarHBondContact O-N 3.04Å; N347-Q352 PolarHBondContact N-O 3.24Å
348	L	98.6	Very high	98.1	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.4	-174.6	-66.7	179.8	0	0	0	114.8	A266 Y273 N326 V328 L346 F351	A266-L348 HydrophobicContact CB-CD1 4.36Å; Y273-L348 HydrophobicContact CD1-CD2 4.31Å; Y273-L348 HydrophobicContact CD2-CD1 3.92Å; Y273-L348 HydrophobicContact CD2-CD2 3.75Å; Y273-L348 HydrophobicContact CD2-CG 4.41Å; Y273-L348 HydrophobicContact CE2-CB 4.49Å; Y273-L348 HydrophobicContact CE2-CD1 3.92Å; Y273-L348 HydrophobicContact CE2-CD2 3.98Å; Y273-L348 HydrophobicContact CE2-CG 4.35Å; Y273-L348 HydrophobicContact CG-CD2 3.93Å; N326-L348 WeakPolarHBondContact O-CG 3.29Å; N326-L348 PolarHBondContact O-N 3.25Å; V328-L348 HydrophobicContact CG2-CD1 3.64Å; V328-L348 HydrophobicContact CG2-CD2 3.9Å; V328-L348 HydrophobicContact CG2-CG 3.67Å; L346-L348 HydrophobicContact CD2-CD2 4.14Å; L348-F351 WeakPolarHBondContact O-CE1 3.23Å; L348-F351 VanDerWaalsContact O-CZ 3.3Å; L348-F351 WeakPolarHBondContact O-CZ 3.47Å
349	Q	97.8	Very high	98.1	Very high	142 Å²	142	39.8 Å²	39.8	66%	0.664	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-38.5	175.3	-66.8	179.6	-35.9	0	0	112.1	N326 N347	N326-Q349 HydrophobicContact CB-CG 4.41Å; N326-Q349 PolarHBondContact ND2-NE2 2.85Å; N326-Q349 PolarHBondContact ND2-OE1 2.7Å; N347-Q349 PolarHBondContact O-N 3.19Å; N347-Q349 PolarHBondContact OD1-N 2.88Å; N347-Q349 VanDerWaalsContact OD1-N 3.17Å
350	T	98.3	Very high	98	Very high	69 Å²	69	38.9 Å²	38.9	42%	0.423	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-13	-176.7	58.9	0	0	0	0	113.4	N347 Q352	N347-T350 WeakPolarHBondContact CB-OG1 3.46Å; N347-T350 PolarHBondContact O-N 3.15Å; N347-T350 PolarHBondContact OD1-N 3.03Å; N347-T350 PolarHBondContact OD1-OG1 3.1Å; T350-Q352 PolarHBondContact O-N 2.86Å; T350-Q352 WeakPolarHBondContact OG1-CB 3.27Å
351	F	98.5	Very high	97.9	Very high	41 Å²	41	41.8 Å²	41.8	18%	0.18	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	28.9	-170.2	-57.8	-71	0	0	0	113.8	Y273 I289 I302 T304 K305 L346 N347 L348	Y273-F351 HydrophobicContact CD1-CE1 4.3Å; Y273-F351 AromaticContact CE1-CE1 3.64Å; Y273-F351 HydrophobicContact CE1-CE1 3.64Å; Y273-F351 AromaticContact CE1-CZ 3.97Å; Y273-F351 HydrophobicContact CE1-CZ 3.97Å; I289-F351 HydrophobicContact CD1-CD1 4.34Å; I302-F351 HydrophobicContact CD1-CE1 3.86Å; I302-F351 HydrophobicContact CD1-CE2 4.34Å; I302-F351 HydrophobicContact CD1-CZ 3.66Å; I302-F351 HydrophobicContact CG2-CB 4.34Å; I302-F351 HydrophobicContact CG2-CD1 3.71Å; I302-F351 HydrophobicContact CG2-CD2 3.74Å; I302-F351 HydrophobicContact CG2-CE1 3.88Å; I302-F351 HydrophobicContact CG2-CE2 3.9Å; I302-F351 HydrophobicContact CG2-CG 3.64Å; I302-F351 HydrophobicContact CG2-CZ 3.98Å; T304-F351 CarbonylContact C-O 3.37Å; T304-F351 WeakPolarHBondContact CA-O 3.3Å; T304-F351 WeakPolarHBondContact CB-O 3.48Å; K305-F351 PolarHBondContact N-O 2.82Å; L346-F351 VanDerWaalsContact CD1-C 3.46Å; N347-F351 WeakPolarHBondContact O-CA 3.5Å; N347-F351 PolarHBondContact O-N 3.04Å; L348-F351 WeakPolarHBondContact O-CE1 3.23Å; L348-F351 VanDerWaalsContact O-CZ 3.3Å; L348-F351 WeakPolarHBondContact O-CZ 3.47Å
352	Q	98.7	Very high	97.8	Very high	53 Å²	53	43.4 Å²	43.4	25%	0.248	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	124.7	-178.9	-178.1	59.9	59	0	0	111.3	K305 P306 N347 T350 V354	K305-Q352 PolarHBondContact O-NE2 2.92Å; P306-Q352 VanDerWaalsContact C-NE2 3.29Å; P306-Q352 PolarHBondContact O-NE2 2.9Å; N347-Q352 PolarHBondContact N-O 3.24Å; T350-Q352 PolarHBondContact O-N 2.86Å; T350-Q352 WeakPolarHBondContact OG1-CB 3.27Å; Q352-V354 HydrophobicContact CG-CG2 4.47Å
353	W	98.8	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	137.3	169.5	-75	109.9	0	0	0	111.7	L275 L286 T304 K305 H307 F312 P313 I330 W344 K345 L346	L275-W353 HydrophobicContact CD2-CH2 3.98Å; L275-W353 HydrophobicContact CD2-CZ2 4.45Å; L286-W353 HydrophobicContact CB-CZ2 3.98Å; L286-W353 HydrophobicContact CD1-CZ2 4.43Å; L286-W353 HydrophobicContact CD2-CZ2 4.15Å; L286-W353 HydrophobicContact CG-CZ2 4.43Å; L286-W353 PolarHBondContact O-NE1 2.86Å; T304-W353 PolarHBondContact OG1-NE1 2.73Å; T304-W353 VanDerWaalsContact OG1-NE1 3.15Å; K305-W353 WeakPolarHBondContact O-CB 3.49Å; K305-W353 PolarHBondContact O-N 3.05Å; H307-W353 WeakPolarHBondContact CA-O 3.26Å; F312-W353 AromaticContact CD1-CD1 3.84Å; P313-W353 HydrophobicContact CG-CD2 3.49Å; P313-W353 VanDerWaalsContact CG-CD2 3.49Å; P313-W353 HydrophobicContact CG-CE3 3.57Å; P313-W353 HydrophobicContact CG-CG 3.95Å; P313-W353 HydrophobicContact CG-CH2 4.26Å; P313-W353 HydrophobicContact CG-CZ2 4.2Å; P313-W353 HydrophobicContact CG-CZ3 3.96Å; I330-W353 HydrophobicContact CD1-CH2 3.61Å; I330-W353 HydrophobicContact CD1-CZ3 3.71Å; I330-W353 HydrophobicContact CG1-CH2 4.2Å; I330-W353 HydrophobicContact CG1-CZ3 3.95Å; W344-W353 HydrophobicContact CB-CE3 3.88Å; W344-W353 HydrophobicContact CB-CZ3 3.9Å; W344-W353 HydrophobicContact CE3-CB 4.16Å; W344-W353 HydrophobicContact CE3-CE3 4.49Å; W344-W353 HydrophobicContact CZ3-CB 4.27Å; K345-W353 CarbonylContact O-C 3.59Å; K345-W353 WeakPolarHBondContact O-CA 3.25Å; L346-W353 HydrophobicContact CB-CD2 4.08Å; L346-W353 HydrophobicContact CB-CE3 3.72Å; L346-W353 HydrophobicContact CB-CH2 3.6Å; L346-W353 HydrophobicContact CB-CZ2 3.96Å; L346-W353 HydrophobicContact CB-CZ3 3.48Å; L346-W353 VanDerWaalsContact CB-CZ3 3.48Å; L346-W353 HydrophobicContact CD1-CD2 3.97Å; L346-W353 HydrophobicContact CD1-CE3 4.46Å; L346-W353 HydrophobicContact CD1-CG 4.27Å; L346-W353 HydrophobicContact CD1-CZ2 4.2Å; L346-W353 HydrophobicContact CD2-CH2 4.16Å; L346-W353 HydrophobicContact CD2-CZ2 3.91Å; L346-W353 HydrophobicContact CG-CH2 4.36Å; L346-W353 HydrophobicContact CG-CZ2 4.25Å
354	V	98.4	Very high	97.7	Very high	57 Å²	57	45 Å²	45	35%	0.345	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.1	171.3	178.2	0	0	0	0	109.2	W344 K345 Q352	W344-V354 CarbonylContact C-O 3.57Å; W344-V354 WeakPolarHBondContact CA-O 3.4Å; K345-V354 PolarHBondContact N-O 2.79Å; K345-V354 PolarHBondContact O-N 2.93Å; Q352-V354 HydrophobicContact CG-CG2 4.47Å
355	K	98.2	Very high	97.7	Very high	71 Å²	71	45.1 Å²	45.1	31%	0.309	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	128	171.2	-166.5	178.6	-176.6	179.6	0	109.1	I310 W344	I310-K355 HydrophobicContact CD1-CB 4.02Å; I310-K355 HydrophobicContact CD1-CD 3.82Å; I310-K355 HydrophobicContact CG2-CD 4.16Å; W344-K355 HydrophobicContact CD2-CB 3.91Å; W344-K355 HydrophobicContact CD2-CG 4.05Å; W344-K355 HydrophobicContact CE3-CB 3.79Å; W344-K355 HydrophobicContact CE3-CG 4.44Å; W344-K355 HydrophobicContact CH2-CB 3.87Å; W344-K355 HydrophobicContact CH2-CD 4.31Å; W344-K355 HydrophobicContact CH2-CG 4.36Å; W344-K355 HydrophobicContact CZ2-CB 3.96Å; W344-K355 HydrophobicContact CZ2-CD 3.77Å; W344-K355 HydrophobicContact CZ2-CG 3.92Å; W344-K355 HydrophobicContact CZ3-CB 3.79Å
356	L	97.5	Very high	97.7	Very high	16 Å²	16	44.4 Å²	44.4	8%	0.084	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	147	175.1	-88.6	66.2	0	0	0	109.9	N43 F329 I343 K345 A358 L400	N43-L356 WeakPolarHBondContact OD1-CD2 3.42Å; F329-L356 HydrophobicContact CD1-CD1 4.2Å; F329-L356 HydrophobicContact CD1-CD2 4.17Å; F329-L356 HydrophobicContact CE1-CD1 4.16Å; F329-L356 HydrophobicContact CE1-CD2 4.12Å; I343-L356 HydrophobicContact CB-CB 4.18Å; I343-L356 HydrophobicContact CG2-CB 4.36Å; I343-L356 HydrophobicContact CG2-CD1 4.47Å; I343-L356 HydrophobicContact CG2-CD2 3.9Å; I343-L356 HydrophobicContact CG2-CG 4.47Å; I343-L356 PolarHBondContact O-N 2.82Å; K345-L356 HydrophobicContact CB-CD1 3.7Å; L356-A358 HydrophobicContact CB-CB 4.45Å; L356-A358 PolarHBondContact O-N 2.94Å; L356-L400 HydrophobicContact CD2-CD2 3.84Å
357	P	95.9	Very high	97.7	Very high	110 Å²	110	44.9 Å²	44.9	71%	0.714	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	51.7	174.4	35	-37	0	0	0	110.9	N43	N43-P357 HydrophobicContact CB-CG 4.19Å
358	A	95.9	Very high	97.7	Very high	9 Å²	9	43.6 Å²	43.6	7%	0.074	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	149.9	-176.2	0	0	0	0	0	110	N43 I343 L356 I398	N43-A358 HydrophobicContact CB-CB 4.32Å; N43-A358 VanDerWaalsContact O-CB 3.23Å; N43-A358 WeakPolarHBondContact O-CB 3.48Å; I343-A358 HydrophobicContact CD1-CB 3.7Å; L356-A358 HydrophobicContact CB-CB 4.45Å; L356-A358 PolarHBondContact O-N 2.94Å; A358-I398 HydrophobicContact CB-CD1 3.8Å
359	T	96.5	Very high	97.7	Very high	94 Å²	94	43.8 Å²	43.8	58%	0.577	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.2	174.8	-60.9	0	0	0	0	108.5	F45 G341	F45-T359 WeakPolarHBondContact CD2-O 3.27Å; F45-T359 WeakPolarHBondContact CE2-O 3.3Å; G341-T359 CarbonylContact O-C 3.58Å; G341-T359 WeakPolarHBondContact O-CA 3.49Å; G341-T359 WeakPolarHBondContact O-CG2 3.42Å
360	M	97.5	Very high	97.8	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.034	21%	0.213	C	C	.	.			trans	-58.1	129.1	177.8	-64.6	178.6	66.7	0	0	109.4	F45 C331 G341 E362 V364 I379	F45-M360 VanDerWaalsContact CE2-CA 3.49Å; F45-M360 HydrophobicContact CE2-CB 4.31Å; F45-M360 HydrophobicContact CE2-CG 3.92Å; F45-M360 HydrophobicContact CZ-CB 4.36Å; F45-M360 HydrophobicContact CZ-CG 3.64Å; C331-M360 HydrophobicContact CB-SD 4.07Å; G341-M360 WeakPolarHBondContact O-CB 3.46Å; G341-M360 WeakPolarHBondContact O-CG 3.33Å; G341-M360 PolarHBondContact O-N 3.34Å; M360-E362 PolarHBondContact O-N 3.2Å; M360-V364 HydrophobicContact CE-CG2 3.34Å; M360-I379 HydrophobicContact CE-CD1 3.73Å; M360-I379 HydrophobicContact CE-CG2 3.8Å; M360-I379 HydrophobicContact CG-CD1 4.34Å; M360-I379 HydrophobicContact SD-CD1 4.19Å
361	P	96	Very high	97.8	Very high	82 Å²	82	35.4 Å²	35.4	53%	0.532	20%	0.201	S	C	.	.	S	Bend	trans	-58.9	-29.7	178	-26.6	35.7	0	0	0	113.1	F45 F396	F45-P361 HydrophobicContact CB-CG 3.76Å; F45-P361 HydrophobicContact CG-CG 4.2Å; P361-F396 HydrophobicContact CB-CD1 4.47Å; P361-F396 HydrophobicContact CB-CE1 3.8Å; P361-F396 HydrophobicContact CB-CZ 4.09Å; P361-F396 HydrophobicContact CG-CD1 3.94Å; P361-F396 HydrophobicContact CG-CE1 3.75Å; P361-F396 HydrophobicContact CG-CZ 4.41Å
362	E	94.6	Very high	97.7	Very high	41 Å²	41	34 Å²	34	19%	0.192	20%	0.196	C	C	.	.	S	Bend	trans	-126.5	108.4	172.3	-171	170.7	-137	0	0	107.9	M360 V364 V384 T392 F396	M360-E362 PolarHBondContact O-N 3.2Å; E362-V364 HydrophobicContact CG-CG1 4.01Å; E362-V364 PolarHBondContact O-N 3.18Å; E362-V384 VanDerWaalsContact CD-CG1 3.48Å; E362-V384 HydrophobicContact CG-CB 4.07Å; E362-V384 HydrophobicContact CG-CG1 3.95Å; E362-V384 WeakPolarHBondContact OE1-CG1 3.19Å; E362-T392 WeakPolarHBondContact OE2-CB 3.45Å; E362-T392 VanDerWaalsContact OE2-CG2 3.27Å; E362-T392 WeakPolarHBondContact OE2-CG2 3.33Å; E362-T392 PolarHBondContact OE2-OG1 3.03Å; E362-F396 HydrophobicContact CB-CE2 4.42Å
363	P	98.1	Very high	97.6	Very high	53 Å²	53	35.9 Å²	35.9	34%	0.344	21%	0.213	S	C	.	.			trans	-58.4	129.2	169.7	-26.3	36.1	0	0	0	110.6	I339	I339-P363 HydrophobicContact CB-CB 4.35Å; I339-P363 HydrophobicContact CG2-CB 3.9Å; I339-P363 WeakPolarHBondContact CG2-O 3.12Å; I339-P363 WeakPolarHBondContact O-CB 3.38Å
364	V	98.5	Very high	97.5	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.024	22%	0.224	C	C	.	.			trans	-143.6	152.4	-175.6	-68.8	0	0	0	0	113.3	G333 I339 L340 M360 E362 H367 V383 V384 T392	G333-V364 PolarHBondContact N-O 3.09Å; I339-V364 VanDerWaalsContact CG2-CA 3.49Å; I339-V364 VanDerWaalsContact CG2-N 3.32Å; L340-V364 PolarHBondContact O-N 3.36Å; M360-V364 HydrophobicContact CE-CG2 3.34Å; E362-V364 HydrophobicContact CG-CG1 4.01Å; E362-V364 PolarHBondContact O-N 3.18Å; V364-H367 HydrophobicContact CB-CB 4.2Å; V364-H367 HydrophobicContact CG2-CB 3.64Å; V364-H367 WeakPolarHBondContact CG2-ND1 3.31Å; V364-H367 PolarHBondContact O-CE1 3.35Å; V364-H367 VanDerWaalsContact O-CE1 3.32Å; V364-H367 PolarHBondContact O-ND1 2.93Å; V364-V383 WeakPolarHBondContact CA-O 3.49Å; V364-V384 HydrophobicContact CG1-CB 4.36Å; V364-V384 HydrophobicContact CG1-CG1 3.62Å; V364-T392 HydrophobicContact CG1-CG2 4.07Å
365	Y	98.4	Very high	97.5	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.027	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-131.4	160.5	168.7	75.5	-67.2	0	0	0	110.3	C318 I339 H367 G382 V383 I386	C318-Y365 HydrophobicContact CB-CD2 4.04Å; C318-Y365 WeakPolarHBondContact O-CA 3.25Å; I339-Y365 HydrophobicContact CD1-CD1 3.88Å; I339-Y365 HydrophobicContact CD1-CE1 3.83Å; I339-Y365 HydrophobicContact CG1-CD1 3.87Å; I339-Y365 HydrophobicContact CG1-CE1 4.07Å; I339-Y365 HydrophobicContact CG2-CD1 4.16Å; Y365-H367 PolarHBondContact O-N 3.44Å; Y365-H367 VanDerWaalsContact O-N 3.15Å; Y365-G382 CarbonylContact O-C 3.51Å; Y365-G382 WeakPolarHBondContact O-CA 3.27Å; Y365-V383 HydrophobicContact CD1-CB 3.79Å; Y365-V383 HydrophobicContact CD1-CG1 4.26Å; Y365-V383 WeakPolarHBondContact CD1-O 3.35Å; Y365-V383 HydrophobicContact CE1-CB 3.32Å; Y365-V383 HydrophobicContact CE1-CG1 3.35Å; Y365-V383 HydrophobicContact CE1-CG2 4.28Å; Y365-V383 PolarHBondContact N-O 3.34Å; Y365-V383 PolarHBondContact O-N 2.72Å; Y365-I386 HydrophobicContact CE1-CD1 4.39Å; Y365-I386 HydrophobicContact CE1-CG1 3.9Å
366	F	98.4	Very high	97.5	Very high	41 Å²	41	31.2 Å²	31.2	18%	0.18	19%	0.193	C	C	.	.	S	Bend	trans	55	25.2	-167.1	-64.9	-77.3	0	0	0	113.2	S93 G94 R262 C318 V383	S93-F366 CarbonylContact C-O 3.49Å; S93-F366 WeakPolarHBondContact CA-O 3.5Å; G94-F366 PolarHBondContact N-O 3.45Å; R262-F366 HydrophobicContact CG-CE1 4.19Å; R262-F366 VanDerWaalsContact NE-CE1 3.28Å; C318-F366 HydrophobicContact CB-CD1 4.03Å; C318-F366 HydrophobicContact CB-CD2 4.27Å; C318-F366 HydrophobicContact CB-CE1 4.29Å; C318-F366 HydrophobicContact CB-CG 4.02Å; C318-F366 PolarHBondContact O-N 2.84Å; C318-F366 VanDerWaalsContact SG-CE1 3.5Å; C318-F366 VanDerWaalsContact SG-CZ 3.5Å; F366-V383 HydrophobicContact CD2-CG2 4.35Å
367	H	98.6	Very high	97.5	Very high	11 Å²	11	30.4 Å²	30.4	5%	0.051	19%	0.189	C	C	.	.			trans	-82.8	-179.9	168.8	65.4	-85.5	0	0	0	109.4	S320 C331 V364 Y365 G381	S320-H367 VanDerWaalsContact CB-NE2 3.35Å; S320-H367 WeakPolarHBondContact CB-NE2 3.44Å; S320-H367 PolarHBondContact N-NE2 2.96Å; S320-H367 PolarHBondContact OG-CD2 2.81Å; S320-H367 PolarHBondContact OG-NE2 2.83Å; S320-H367 PolarHBondContact OG-O 2.83Å; C331-H367 PolarHBondContact O-CE1 3.06Å; C331-H367 PolarHBondContact O-NE2 3.33Å; V364-H367 HydrophobicContact CB-CB 4.2Å; V364-H367 HydrophobicContact CG2-CB 3.64Å; V364-H367 WeakPolarHBondContact CG2-ND1 3.31Å; V364-H367 PolarHBondContact O-CE1 3.35Å; V364-H367 VanDerWaalsContact O-CE1 3.32Å; V364-H367 PolarHBondContact O-ND1 2.93Å; Y365-H367 PolarHBondContact O-N 3.44Å; Y365-H367 VanDerWaalsContact O-N 3.15Å; H367-G381 WeakPolarHBondContact CB-O 3.38Å
368	C	98.7	Very high	97.6	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.02	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.2	167.4	174.8	0	0	0	0	110.5	C97 S320 I379 H380	C97-C368 WeakPolarHBondContact CA-SG 3.44Å; C97-C368 HydrophobicContact CB-CB 3.93Å; C97-C368 WeakPolarHBondContact CB-SG 3.37Å; C97-C368 PolarHBondContact N-SG 2.73Å; C97-C368 PolarHBondContact O-SG 3.06Å; C97-C368 VanDerWaalsContact O-SG 3.42Å; C97-C368 WeakPolarHBondContact SG-CB 3.25Å; C97-C368 CovalentContact SG-SG 2.06Å; C97-C368 PolarHBondContact SG-SG 3.14Å; S320-C368 WeakPolarHBondContact OG-CA 3.46Å; C368-I379 WeakPolarHBondContact O-CA 3.43Å; C368-H380 PolarHBondContact N-O 3.13Å; C368-H380 VanDerWaalsContact N-O 3.08Å; C368-H380 PolarHBondContact O-N 2.91Å
369	A	98.7	Very high	97.8	Very high	8 Å²	8	25.6 Å²	25.6	7%	0.066	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.9	165.4	0	0	0	0	0	111.1	S320 V322 M377 Y378 I379	S320-A369 VanDerWaalsContact CB-CB 3.43Å; S320-A369 PolarHBondContact OG-N 3.34Å; V322-A369 HydrophobicContact CG1-CB 3.93Å; A369-M377 HydrophobicContact CB-CG 4.09Å; A369-M377 HydrophobicContact CB-SD 3.92Å; A369-Y378 CarbonylContact C-O 3.6Å; A369-Y378 WeakPolarHBondContact CA-O 3.49Å; A369-I379 HydrophobicContact CB-CG1 4.07Å
370	A	98.8	Very high	97.9	Very high	6 Å²	6	21.1 Å²	21.1	5%	0.05	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.9	171.7	0	0	0	0	0	109.2	A99 L104 M377 Y378	A99-A370 HydrophobicContact CB-CB 4.1Å; L104-A370 HydrophobicContact CD1-CB 3.65Å; A370-M377 CarbonylContact O-C 3.53Å; A370-M377 WeakPolarHBondContact O-CA 3.33Å; A370-Y378 PolarHBondContact N-O 3.03Å; A370-Y378 PolarHBondContact O-N 3.42Å
371	V	98.6	Very high	97.9	Very high	29 Å²	29	21 Å²	21	18%	0.176	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.6	179.4	69.9	0	0	0	0	110.2	V322 I324 C376 M377 L400	V322-V371 HydrophobicContact CB-CB 3.83Å; V322-V371 HydrophobicContact CB-CG1 3.82Å; V322-V371 HydrophobicContact CG1-CB 4.11Å; V322-V371 HydrophobicContact CG1-CG1 4.36Å; V322-V371 HydrophobicContact CG2-CB 4.07Å; V322-V371 HydrophobicContact CG2-CG1 4.45Å; I324-V371 HydrophobicContact CD1-CG2 3.91Å; I324-V371 HydrophobicContact CG1-CG2 3.93Å; V371-C376 WeakPolarHBondContact CA-O 3.41Å; V371-M377 HydrophobicContact CG2-CB 4.49Å; V371-L400 HydrophobicContact CG2-CD1 4.48Å
372	T	98	Very high	98	Very high	11 Å²	11	17 Å²	17	7%	0.067	10%	0.102	C	C	.	.			trans	-72.8	157.8	171.7	66.3	0	0	0	0	110	A99 F136 A374 G375 C376 Y378	A99-T372 HydrophobicContact CB-CG2 4.18Å; F136-T372 HydrophobicContact CD2-CG2 4.41Å; F136-T372 HydrophobicContact CE2-CG2 3.66Å; F136-T372 HydrophobicContact CZ-CG2 3.72Å; T372-A374 PolarHBondContact O-N 3.49Å; T372-A374 VanDerWaalsContact O-N 3.09Å; T372-G375 PolarHBondContact O-N 2.8Å; T372-G375 PolarHBondContact OG1-N 3.22Å; T372-C376 HydrophobicContact CG2-CB 4.4Å; T372-C376 PolarHBondContact N-O 3.26Å; T372-C376 PolarHBondContact OG1-N 3.47Å; T372-C376 VanDerWaalsContact OG1-N 3.13Å; T372-C376 PolarHBondContact OG1-O 2.85Å; T372-Y378 HydrophobicContact CG2-CD2 4.16Å; T372-Y378 HydrophobicContact CG2-CE2 3.73Å
373	P	96.2	Very high	98.2	Very high	93 Å²	93	15.1 Å²	15.1	60%	0.604	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.8	172.5	-28.4	37.5	0	0	0	114	N101 G375	N101-P373 WeakPolarHBondContact OD1-CB 3.29Å; N101-P373 VanDerWaalsContact OD1-CD 3.28Å; N101-P373 WeakPolarHBondContact OD1-CD 3.47Å; N101-P373 WeakPolarHBondContact OD1-CG 3.43Å; P373-G375 VanDerWaalsContact C-N 3.26Å; P373-G375 PolarHBondContact O-N 2.91Å
374	A	96.4	Very high	98.2	Very high	28 Å²	28	13.9 Å²	13.9	23%	0.231	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-10.4	174.5	0	0	0	0	0	114	T372 W399 V401 E407	T372-A374 PolarHBondContact O-N 3.49Å; T372-A374 VanDerWaalsContact O-N 3.09Å; A374-W399 HydrophobicContact CB-CH2 4.08Å; A374-W399 HydrophobicContact CB-CZ3 3.94Å; A374-W399 WeakPolarHBondContact O-CZ3 3.44Å; A374-V401 WeakPolarHBondContact O-CG2 3.26Å; A374-E407 HydrophobicContact CB-CG 3.9Å
375	G	97.6	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	89.3	23.6	178.5	0	0	0	0	0	115.1	T372 P373 L400	T372-G375 PolarHBondContact O-N 2.8Å; T372-G375 PolarHBondContact OG1-N 3.22Å; P373-G375 VanDerWaalsContact C-N 3.26Å; P373-G375 PolarHBondContact O-N 2.91Å; G375-L400 PolarHBondContact O-N 3.27Å
376	C	98.1	Very high	97.9	Very high	2 Å²	2	17 Å²	17	1%	0.014	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118.8	168.5	-164.8	0	0	0	0	109.5	V371 T372 Y378 W399	V371-C376 WeakPolarHBondContact CA-O 3.41Å; T372-C376 HydrophobicContact CG2-CB 4.4Å; T372-C376 PolarHBondContact N-O 3.26Å; T372-C376 PolarHBondContact OG1-N 3.47Å; T372-C376 VanDerWaalsContact OG1-N 3.13Å; T372-C376 PolarHBondContact OG1-O 2.85Å; C376-Y378 HydrophobicContact CB-CE2 4.08Å; C376-W399 HydrophobicContact CB-CD2 3.82Å; C376-W399 HydrophobicContact CB-CE3 3.62Å; C376-W399 HydrophobicContact CB-CH2 3.86Å; C376-W399 HydrophobicContact CB-CZ2 4.06Å; C376-W399 HydrophobicContact CB-CZ3 3.65Å
377	M	98.5	Very high	97.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134.9	176.3	-179.8	177.9	65	0	0	110.5	V322 A369 A370 V371 I379 K397 I398 L400	V322-M377 HydrophobicContact CG1-CG 4.31Å; V322-M377 HydrophobicContact CG1-SD 4.25Å; V322-M377 HydrophobicContact CG2-CB 4.47Å; V322-M377 HydrophobicContact CG2-CG 4.06Å; V322-M377 HydrophobicContact CG2-SD 3.49Å; V322-M377 WeakPolarHBondContact CG2-SD 3.21Å; A369-M377 HydrophobicContact CB-CG 4.09Å; A369-M377 HydrophobicContact CB-SD 3.92Å; A370-M377 CarbonylContact O-C 3.53Å; A370-M377 WeakPolarHBondContact O-CA 3.33Å; V371-M377 HydrophobicContact CG2-CB 4.49Å; M377-I379 HydrophobicContact CE-CD1 3.9Å; M377-I379 HydrophobicContact CE-CG1 4.19Å; M377-I379 HydrophobicContact CG-CG1 4.35Å; M377-I379 HydrophobicContact SD-CG1 4.46Å; M377-K397 CarbonylContact O-C 3.54Å; M377-K397 WeakPolarHBondContact O-CA 3.44Å; M377-I398 HydrophobicContact CB-CG2 4.03Å; M377-I398 HydrophobicContact CE-CG2 3.43Å; M377-I398 VanDerWaalsContact CE-CG2 3.43Å; M377-I398 PolarHBondContact N-O 3.02Å; M377-I398 PolarHBondContact O-N 2.73Å; M377-L400 HydrophobicContact CB-CD1 3.62Å; M377-L400 HydrophobicContact CB-CG 3.9Å; M377-L400 HydrophobicContact CE-CD1 4.39Å; M377-L400 HydrophobicContact CE-CD2 4.05Å; M377-L400 HydrophobicContact CG-CD1 4.37Å; M377-L400 HydrophobicContact SD-CD1 4.06Å
378	Y	98.6	Very high	97.5	Very high	14 Å²	14	28.4 Å²	28.4	6%	0.055	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.6	173.3	-71.2	-102.6	0	0	0	109.1	L48 Y134 F136 A369 A370 T372 C376 L395 F396 K397	L48-Y378 HydrophobicContact CD1-CD1 3.83Å; L48-Y378 HydrophobicContact CD1-CE1 3.38Å; Y134-Y378 HydrophobicContact CD1-CE1 4.5Å; Y134-Y378 HydrophobicContact CE1-CE1 4.14Å; F136-Y378 AromaticContact CD1-CE1 3.71Å; F136-Y378 HydrophobicContact CD1-CE1 3.71Å; F136-Y378 AromaticContact CD1-CE2 3.97Å; F136-Y378 HydrophobicContact CD1-CE2 3.97Å; F136-Y378 AromaticContact CD1-CZ 3.38Å; F136-Y378 VanDerWaalsContact CD1-OH 3.25Å; F136-Y378 WeakPolarHBondContact CD1-OH 3.2Å; F136-Y378 HydrophobicContact CE1-CD1 4.01Å; F136-Y378 AromaticContact CE1-CD2 3.89Å; F136-Y378 HydrophobicContact CE1-CD2 3.89Å; F136-Y378 AromaticContact CE1-CE1 3.56Å; F136-Y378 HydrophobicContact CE1-CE1 3.56Å; F136-Y378 AromaticContact CE1-CE2 3.47Å; F136-Y378 HydrophobicContact CE1-CE2 3.47Å; F136-Y378 VanDerWaalsContact CE1-CE2 3.47Å; F136-Y378 HydrophobicContact CE1-CG 4.16Å; F136-Y378 AromaticContact CE1-CZ 3.29Å; F136-Y378 HydrophobicContact CZ-CD2 4.25Å; F136-Y378 AromaticContact CZ-CE2 3.95Å; F136-Y378 HydrophobicContact CZ-CE2 3.95Å; A369-Y378 CarbonylContact C-O 3.6Å; A369-Y378 WeakPolarHBondContact CA-O 3.49Å; A370-Y378 PolarHBondContact N-O 3.03Å; A370-Y378 PolarHBondContact O-N 3.42Å; T372-Y378 HydrophobicContact CG2-CD2 4.16Å; T372-Y378 HydrophobicContact CG2-CE2 3.73Å; C376-Y378 HydrophobicContact CB-CE2 4.08Å; Y378-L395 HydrophobicContact CD1-CD1 4.16Å; Y378-L395 HydrophobicContact CD1-CD2 4.27Å; Y378-L395 HydrophobicContact CD1-CG 4.37Å; Y378-F396 CarbonylContact C-O 3.47Å; Y378-F396 VanDerWaalsContact CA-O 3.26Å; Y378-F396 WeakPolarHBondContact CA-O 3.38Å; Y378-K397 HydrophobicContact CD1-CB 3.88Å; Y378-K397 HydrophobicContact CE1-CB 3.77Å; Y378-K397 HydrophobicContact CE1-CD 4.22Å; Y378-K397 HydrophobicContact CE2-CB 4.41Å; Y378-K397 HydrophobicContact CG-CB 4.28Å
379	I	98.6	Very high	97.2	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.015	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.1	177.9	-52.6	-177.6	0	0	0	108.7	F45 C331 M360 C368 A369 M377 L395 F396	F45-I379 HydrophobicContact CE1-CD1 3.65Å; F45-I379 HydrophobicContact CE1-CG1 4.43Å; F45-I379 HydrophobicContact CZ-CD1 3.84Å; C331-I379 HydrophobicContact CB-CD1 4.44Å; M360-I379 HydrophobicContact CE-CD1 3.73Å; M360-I379 HydrophobicContact CE-CG2 3.8Å; M360-I379 HydrophobicContact CG-CD1 4.34Å; M360-I379 HydrophobicContact SD-CD1 4.19Å; C368-I379 WeakPolarHBondContact O-CA 3.43Å; A369-I379 HydrophobicContact CB-CG1 4.07Å; M377-I379 HydrophobicContact CE-CD1 3.9Å; M377-I379 HydrophobicContact CE-CG1 4.19Å; M377-I379 HydrophobicContact CG-CG1 4.35Å; M377-I379 HydrophobicContact SD-CG1 4.46Å; I379-L395 WeakPolarHBondContact O-CA 3.38Å; I379-F396 PolarHBondContact N-O 2.8Å; I379-F396 PolarHBondContact O-N 3.08Å
380	H	98.6	Very high	97.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.8	-178.3	-179.2	-97.4	0	0	0	112.5	P89 H95 V106 W141 C368 S394 L395	P89-H380 VanDerWaalsContact CG-NE2 3.35Å; P89-H380 WeakPolarHBondContact CG-NE2 3.46Å; H95-H380 AromaticContact CD2-ND1 3.65Å; H95-H380 AromaticContact CE1-ND1 3.6Å; H95-H380 PolarHBondContact CE1-O 2.93Å; H95-H380 AromaticContact NE2-CE1 3.89Å; H95-H380 AromaticContact NE2-CG 3.81Å; H95-H380 AromaticContact NE2-ND1 2.91Å; H95-H380 PolarHBondContact NE2-ND1 2.98Å; H95-H380 PolarHBondContact NE2-O 2.86Å; H95-H380 VanDerWaalsContact NE2-O 3.13Å; V106-H380 HydrophobicContact CG2-CB 4.43Å; W141-H380 AromaticContact CZ2-CD2 3.99Å; C368-H380 PolarHBondContact N-O 3.13Å; C368-H380 VanDerWaalsContact N-O 3.08Å; C368-H380 PolarHBondContact O-N 2.91Å; H380-S394 WeakPolarHBondContact CA-O 3.39Å; H380-L395 HydrophobicContact CB-CD1 4.01Å
381	G	98.2	Very high	97	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.031	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.2	-157.5	168.8	0	0	0	0	0	115.2	H367 T392 S394	H367-G381 WeakPolarHBondContact CB-O 3.38Å; G381-T392 VanDerWaalsContact C-CG2 3.48Å; G381-T392 WeakPolarHBondContact CA-O 2.94Å; G381-S394 PolarHBondContact N-O 2.89Å
382	G	98.4	Very high	97	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.1	178	-177.8	0	0	0	0	0	113.5	R92 Y365 R391 T392	R92-G382 PolarHBondContact O-N 2.88Å; Y365-G382 CarbonylContact O-C 3.51Å; Y365-G382 WeakPolarHBondContact O-CA 3.27Å; G382-R391 CarbonylContact O-C 3.58Å; G382-R391 WeakPolarHBondContact O-CA 3.37Å; G382-R391 WeakPolarHBondContact O-CB 3.41Å; G382-T392 PolarHBondContact O-N 3.49Å
383	V	98.5	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.1	173.6	-177.8	0	0	0	0	108.6	V364 Y365 F366 K390 R391	V364-V383 WeakPolarHBondContact CA-O 3.49Å; Y365-V383 HydrophobicContact CD1-CB 3.79Å; Y365-V383 HydrophobicContact CD1-CG1 4.26Å; Y365-V383 WeakPolarHBondContact CD1-O 3.35Å; Y365-V383 HydrophobicContact CE1-CB 3.32Å; Y365-V383 HydrophobicContact CE1-CG1 3.35Å; Y365-V383 HydrophobicContact CE1-CG2 4.28Å; Y365-V383 PolarHBondContact N-O 3.34Å; Y365-V383 PolarHBondContact O-N 2.72Å; F366-V383 HydrophobicContact CD2-CG2 4.35Å; V383-K390 WeakPolarHBondContact CA-O 3.29Å; V383-K390 WeakPolarHBondContact CG1-O 3.5Å; V383-R391 HydrophobicContact CG2-CG 4.01Å
384	V	97.8	Very high	96.9	Very high	27 Å²	27	27.5 Å²	27.5	16%	0.164	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-20.5	-171	-39.1	0	0	0	0	112.1	I339 E362 V364 K390 T392	I339-V384 WeakPolarHBondContact CD1-O 3.24Å; E362-V384 VanDerWaalsContact CD-CG1 3.48Å; E362-V384 HydrophobicContact CG-CB 4.07Å; E362-V384 HydrophobicContact CG-CG1 3.95Å; E362-V384 WeakPolarHBondContact OE1-CG1 3.19Å; V364-V384 HydrophobicContact CG1-CB 4.36Å; V364-V384 HydrophobicContact CG1-CG1 3.62Å; V384-K390 HydrophobicContact CG2-CB 4.09Å; V384-K390 HydrophobicContact CG2-CD 3.76Å; V384-K390 HydrophobicContact CG2-CG 3.95Å; V384-K390 PolarHBondContact N-O 3.25Å; V384-T392 HydrophobicContact CG1-CG2 3.51Å
385	N	97.1	Very high	97	Very high	48 Å²	48	26.1 Å²	26.1	26%	0.257	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	119.7	175.5	-175.8	-42.2	0	0	0	109.7	H387 E388 N389 K390	N385-H387 PolarHBondContact OD1-N 2.9Å; N385-E388 HydrophobicContact CB-CB 4.25Å; N385-E388 PolarHBondContact OD1-N 3.17Å; N385-N389 WeakPolarHBondContact O-CA 3.39Å; N385-N389 PolarHBondContact O-N 2.95Å; N385-N389 VanDerWaalsContact O-N 3.09Å; N385-K390 HydrophobicContact CB-CB 3.99Å; N385-K390 PolarHBondContact O-N 2.87Å
386	I	93.2	Very high	97	Very high	28 Å²	28	26.8 Å²	26.8	14%	0.144	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-35.2	-175.7	-53.2	-177.5	0	0	0	111.9	M1 Y334 I339 Y365 N389	M1-I386 PolarHBondContact N-O 2.93Å; Y334-I386 HydrophobicContact CD2-CD1 3.88Å; Y334-I386 HydrophobicContact CE1-CD1 4.32Å; Y334-I386 HydrophobicContact CE2-CD1 3.31Å; I339-I386 HydrophobicContact CD1-CD1 4.35Å; I339-I386 HydrophobicContact CD1-CG1 3.88Å; I339-I386 HydrophobicContact CG1-CD1 4.01Å; I339-I386 HydrophobicContact CG1-CG1 4.1Å; Y365-I386 HydrophobicContact CE1-CD1 4.39Å; Y365-I386 HydrophobicContact CE1-CG1 3.9Å; I386-N389 PolarHBondContact O-N 3Å
387	H	94	Very high	97	Very high	175 Å²	175	28.1 Å²	28.1	81%	0.81	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-47.9	-176.2	-61.7	-69.7	0	0	0	110.9	N385 N389	N385-H387 PolarHBondContact OD1-N 2.9Å; H387-N389 PolarHBondContact O-N 2.78Å
388	E	94.5	Very high	96.9	Very high	117 Å²	117	28.1 Å²	28.1	55%	0.547	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-10.1	175	-67	-179.8	-170.9	0	0	112.6	N385 K390	N385-E388 HydrophobicContact CB-CB 4.25Å; N385-E388 PolarHBondContact OD1-N 3.17Å; E388-K390 HydrophobicContact CB-CB 3.99Å; E388-K390 PolarHBondContact O-N 2.85Å; E388-K390 IonicContact OE2-NZ 3.93Å; E388-K390 PolarHBondContact OE2-NZ 2.86Å
389	N	92.4	Very high	96.9	Very high	43 Å²	43	27.9 Å²	27.9	23%	0.23	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	44.9	-170.7	-161.6	17.5	0	0	0	110.3	P112 N385 I386 H387 R391	P112-N389 WeakPolarHBondContact CG-ND2 3.19Å; N385-N389 WeakPolarHBondContact O-CA 3.39Å; N385-N389 PolarHBondContact O-N 2.95Å; N385-N389 VanDerWaalsContact O-N 3.09Å; I386-N389 PolarHBondContact O-N 3Å; H387-N389 PolarHBondContact O-N 2.78Å; N389-R391 PolarHBondContact O-NH1 3.46Å; N389-R391 PolarHBondContact OD1-NH1 3.4Å; N389-R391 PolarHBondContact OD1-NH2 3.26Å
390	K	97	Very high	96.9	Very high	52 Å²	52	28.4 Å²	28.4	23%	0.226	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.5	-170.9	-170.8	-174	-135.6	144.1	0	111.2	V383 V384 N385 E388	V383-K390 WeakPolarHBondContact CA-O 3.29Å; V383-K390 WeakPolarHBondContact CG1-O 3.5Å; V384-K390 HydrophobicContact CG2-CB 4.09Å; V384-K390 HydrophobicContact CG2-CD 3.76Å; V384-K390 HydrophobicContact CG2-CG 3.95Å; V384-K390 PolarHBondContact N-O 3.25Å; N385-K390 HydrophobicContact CB-CB 3.99Å; N385-K390 PolarHBondContact O-N 2.87Å; E388-K390 HydrophobicContact CB-CB 3.99Å; E388-K390 PolarHBondContact O-N 2.85Å; E388-K390 IonicContact OE2-NZ 3.93Å; E388-K390 PolarHBondContact OE2-NZ 2.86Å
391	R	97.7	Very high	96.7	Very high	12 Å²	12	30.7 Å²	30.7	5%	0.045	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	166.2	176.9	-73.2	144.7	-178.8	80	9.2	111.6	A91 S93 Y110 G382 V383 N389	A91-R391 HydrophobicContact CB-CB 4.08Å; S93-R391 PolarHBondContact OG-NE 3.4Å; Y110-R391 WeakPolarHBondContact O-CD 3.32Å; Y110-R391 PolarHBondContact O-NE 3.19Å; G382-R391 CarbonylContact O-C 3.58Å; G382-R391 WeakPolarHBondContact O-CA 3.37Å; G382-R391 WeakPolarHBondContact O-CB 3.41Å; V383-R391 HydrophobicContact CG2-CG 4.01Å; N389-R391 PolarHBondContact O-NH1 3.46Å; N389-R391 PolarHBondContact OD1-NH1 3.4Å; N389-R391 PolarHBondContact OD1-NH2 3.26Å
392	T	97.1	Very high	96.6	Very high	3 Å²	3	36 Å²	36	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	154.4	173.8	-168.3	0	0	0	0	110.3	A91 R92 E362 V364 G381 G382 V384 S394	A91-T392 VanDerWaalsContact CA-C 3.5Å; A91-T392 VanDerWaalsContact CA-O 3.3Å; A91-T392 WeakPolarHBondContact CA-O 3.27Å; A91-T392 VanDerWaalsContact CB-C 3.46Å; R92-T392 PolarHBondContact N-O 3.16Å; R92-T392 VanDerWaalsContact N-O 3.09Å; E362-T392 WeakPolarHBondContact OE2-CB 3.45Å; E362-T392 VanDerWaalsContact OE2-CG2 3.27Å; E362-T392 WeakPolarHBondContact OE2-CG2 3.33Å; E362-T392 PolarHBondContact OE2-OG1 3.03Å; V364-T392 HydrophobicContact CG1-CG2 4.07Å; G381-T392 VanDerWaalsContact C-CG2 3.48Å; G381-T392 WeakPolarHBondContact CA-O 2.94Å; G382-T392 PolarHBondContact O-N 3.49Å; V384-T392 HydrophobicContact CG1-CG2 3.51Å; T392-S394 WeakPolarHBondContact OG1-CB 3.4Å; T392-S394 PolarHBondContact OG1-N 3.14Å; T392-S394 PolarHBondContact OG1-OG 2.92Å
393	G	96.2	Very high	96.5	Very high	13 Å²	13	36.6 Å²	36.6	13%	0.134	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	15.5	168.3	0	0	0	0	0	111.2
394	S	96.8	Very high	96.4	Very high	8 Å²	8	39.4 Å²	39.4	6%	0.056	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	144.4	179.4	-64.3	0	0	0	0	110.8	S49 H380 G381 T392 F396	S49-S394 WeakPolarHBondContact O-CA 3.3Å; H380-S394 WeakPolarHBondContact CA-O 3.39Å; G381-S394 PolarHBondContact N-O 2.89Å; T392-S394 WeakPolarHBondContact OG1-CB 3.4Å; T392-S394 PolarHBondContact OG1-N 3.14Å; T392-S394 PolarHBondContact OG1-OG 2.92Å; S394-F396 VanDerWaalsContact CB-CE2 3.48Å
395	L	98	Very high	96.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.3	170.8	-178.4	68.3	0	0	0	108.5	L48 S49 L104 Y134 W141 Y378 I379 H380	L48-L395 HydrophobicContact CB-CB 4.37Å; L48-L395 HydrophobicContact CB-CD2 3.95Å; L48-L395 HydrophobicContact CB-CG 4.18Å; L48-L395 HydrophobicContact CD1-CD2 3.81Å; L48-L395 HydrophobicContact CD1-CG 4.12Å; L48-L395 PolarHBondContact N-O 2.95Å; S49-L395 PolarHBondContact N-O 3.3Å; S49-L395 PolarHBondContact O-N 2.85Å; S49-L395 WeakPolarHBondContact OG-CB 3.42Å; L104-L395 HydrophobicContact CD2-CD1 3.53Å; L104-L395 HydrophobicContact CD2-CD2 4.44Å; Y134-L395 HydrophobicContact CD1-CD2 3.84Å; Y134-L395 HydrophobicContact CD2-CD2 3.84Å; Y134-L395 HydrophobicContact CE1-CD2 3.88Å; Y134-L395 HydrophobicContact CE2-CD2 3.85Å; Y134-L395 HydrophobicContact CG-CD2 3.8Å; W141-L395 HydrophobicContact CZ2-CB 4.21Å; W141-L395 HydrophobicContact CZ2-CD1 4.23Å; W141-L395 HydrophobicContact CZ2-CD2 3.71Å; W141-L395 HydrophobicContact CZ2-CG 4.26Å; Y378-L395 HydrophobicContact CD1-CD1 4.16Å; Y378-L395 HydrophobicContact CD1-CD2 4.27Å; Y378-L395 HydrophobicContact CD1-CG 4.37Å; I379-L395 WeakPolarHBondContact O-CA 3.38Å; H380-L395 HydrophobicContact CB-CD1 4.01Å
396	F	97.9	Very high	96.3	Very high	14 Å²	14	47.2 Å²	47.2	6%	0.061	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.3	172.6	-59.5	-84.9	0	0	0	110.2	F45 V46 Q47 P361 E362 Y378 I379 S394	F45-F396 HydrophobicContact CD1-CB 3.91Å; F45-F396 HydrophobicContact CE1-CB 4.38Å; V46-F396 CarbonylContact O-C 3.52Å; V46-F396 VanDerWaalsContact O-CA 3.3Å; V46-F396 WeakPolarHBondContact O-CA 3.16Å; Q47-F396 HydrophobicContact CB-CD1 3.76Å; Q47-F396 HydrophobicContact CB-CE1 3.64Å; Q47-F396 HydrophobicContact CG-CD1 3.98Å; Q47-F396 HydrophobicContact CG-CE1 3.59Å; Q47-F396 HydrophobicContact CG-CZ 4.22Å; P361-F396 HydrophobicContact CB-CD1 4.47Å; P361-F396 HydrophobicContact CB-CE1 3.8Å; P361-F396 HydrophobicContact CB-CZ 4.09Å; P361-F396 HydrophobicContact CG-CD1 3.94Å; P361-F396 HydrophobicContact CG-CE1 3.75Å; P361-F396 HydrophobicContact CG-CZ 4.41Å; E362-F396 HydrophobicContact CB-CE2 4.42Å; Y378-F396 CarbonylContact C-O 3.47Å; Y378-F396 VanDerWaalsContact CA-O 3.26Å; Y378-F396 WeakPolarHBondContact CA-O 3.38Å; I379-F396 PolarHBondContact N-O 2.8Å; I379-F396 PolarHBondContact O-N 3.08Å; S394-F396 VanDerWaalsContact CB-CE2 3.48Å
397	K	97.5	Very high	96.4	Very high	29 Å²	29	47 Å²	47	13%	0.126	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	154.7	166	74.1	168.1	-171.7	177.1	0	112.3	F45 V46 L48 M377 Y378 E411	F45-K397 CarbonylContact C-O 3.6Å; F45-K397 WeakPolarHBondContact CA-O 3.47Å; V46-K397 HydrophobicContact CB-CG 4.05Å; V46-K397 PolarHBondContact N-O 3.2Å; V46-K397 PolarHBondContact O-N 3.48Å; L48-K397 HydrophobicContact CD1-CB 3.89Å; L48-K397 HydrophobicContact CD1-CD 4.03Å; L48-K397 HydrophobicContact CD1-CG 3.87Å; L48-K397 HydrophobicContact CD2-CD 4.22Å; L48-K397 HydrophobicContact CD2-CG 4.21Å; L48-K397 HydrophobicContact CG-CG 4.17Å; M377-K397 CarbonylContact O-C 3.54Å; M377-K397 WeakPolarHBondContact O-CA 3.44Å; Y378-K397 HydrophobicContact CD1-CB 3.88Å; Y378-K397 HydrophobicContact CE1-CB 3.77Å; Y378-K397 HydrophobicContact CE1-CD 4.22Å; Y378-K397 HydrophobicContact CE2-CB 4.41Å; Y378-K397 HydrophobicContact CG-CB 4.28Å; K397-E411 IonicContact NZ-OE1 3.98Å; K397-E411 PolarHBondContact NZ-OE1 2.86Å; K397-E411 IonicContact NZ-OE2 2.65Å
398	I	97.9	Very high	96.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	135.8	174.7	-177.8	160.6	0	0	0	109.5	F45 I343 A358 M377 L400	F45-I398 HydrophobicContact CD1-CB 3.89Å; F45-I398 HydrophobicContact CD1-CD1 4.42Å; F45-I398 HydrophobicContact CD1-CG2 4.16Å; F45-I398 HydrophobicContact CD2-CD1 3.99Å; F45-I398 HydrophobicContact CE1-CB 3.94Å; F45-I398 HydrophobicContact CE1-CD1 4.36Å; F45-I398 HydrophobicContact CE1-CG2 3.7Å; F45-I398 HydrophobicContact CE2-CD1 3.94Å; F45-I398 HydrophobicContact CG-CB 4.41Å; F45-I398 HydrophobicContact CG-CD1 4.26Å; F45-I398 HydrophobicContact CZ-CD1 4.14Å; F45-I398 HydrophobicContact CZ-CG2 4.17Å; I343-I398 HydrophobicContact CD1-CD1 3.88Å; A358-I398 HydrophobicContact CB-CD1 3.8Å; M377-I398 HydrophobicContact CB-CG2 4.03Å; M377-I398 HydrophobicContact CE-CG2 3.43Å; M377-I398 VanDerWaalsContact CE-CG2 3.43Å; M377-I398 PolarHBondContact N-O 3.02Å; M377-I398 PolarHBondContact O-N 2.73Å; I398-L400 HydrophobicContact CG2-CD2 4.32Å
399	W	97.8	Very high	96.5	Very high	9 Å²	9	38.7 Å²	38.7	3%	0.034	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	122.1	170.4	-73.7	106.7	0	0	0	109.7	N43 A374 C376 P403 E407 E411	N43-W399 PolarHBondContact N-O 3.08Å; N43-W399 VanDerWaalsContact N-O 3.16Å; A374-W399 HydrophobicContact CB-CH2 4.08Å; A374-W399 HydrophobicContact CB-CZ3 3.94Å; A374-W399 WeakPolarHBondContact O-CZ3 3.44Å; C376-W399 HydrophobicContact CB-CD2 3.82Å; C376-W399 HydrophobicContact CB-CE3 3.62Å; C376-W399 HydrophobicContact CB-CH2 3.86Å; C376-W399 HydrophobicContact CB-CZ2 4.06Å; C376-W399 HydrophobicContact CB-CZ3 3.65Å; W399-P403 HydrophobicContact CB-CG 4.23Å; W399-P403 HydrophobicContact CD2-CB 4.03Å; W399-P403 HydrophobicContact CD2-CG 3.48Å; W399-P403 VanDerWaalsContact CD2-CG 3.48Å; W399-P403 HydrophobicContact CE3-CB 3.96Å; W399-P403 HydrophobicContact CE3-CG 3.77Å; W399-P403 HydrophobicContact CG-CG 3.68Å; W399-P403 HydrophobicContact CH2-CB 4Å; W399-P403 HydrophobicContact CZ2-CB 4.05Å; W399-P403 HydrophobicContact CZ2-CG 4.25Å; W399-P403 HydrophobicContact CZ3-CB 3.93Å; W399-P403 HydrophobicContact CZ3-CG 4.27Å; W399-E407 HydrophobicContact CH2-CB 3.85Å; W399-E407 HydrophobicContact CH2-CG 3.95Å; W399-E407 HydrophobicContact CZ2-CB 4.27Å; W399-E411 PolarHBondContact NE1-OE1 3.36Å
400	L	97.7	Very high	96.7	Very high	13 Å²	13	37.2 Å²	37.2	7%	0.068	21%	0.212	C	C	.	.	S	Bend	trans	-92.5	-21.9	179.3	-66.4	-179.9	0	0	0	112.7	V322 I324 F329 L356 V371 G375 M377 I398	V322-L400 HydrophobicContact CG2-CD1 3.73Å; I324-L400 HydrophobicContact CD1-CB 3.92Å; I324-L400 HydrophobicContact CD1-CD1 4.18Å; F329-L400 HydrophobicContact CB-CD1 4.08Å; F329-L400 HydrophobicContact CD1-CB 4.5Å; F329-L400 HydrophobicContact CD1-CD1 3.99Å; F329-L400 HydrophobicContact CD1-CD2 3.79Å; F329-L400 HydrophobicContact CD1-CG 4.32Å; F329-L400 HydrophobicContact CD2-CD1 3.74Å; F329-L400 HydrophobicContact CE1-CB 4.05Å; F329-L400 HydrophobicContact CE1-CD1 4.32Å; F329-L400 HydrophobicContact CE1-CD2 3.99Å; F329-L400 HydrophobicContact CE1-CG 4.36Å; F329-L400 HydrophobicContact CE2-CB 4.32Å; F329-L400 HydrophobicContact CE2-CD1 4.11Å; F329-L400 HydrophobicContact CG-CD1 3.68Å; F329-L400 HydrophobicContact CG-CD2 4.3Å; F329-L400 HydrophobicContact CG-CG 4.49Å; F329-L400 HydrophobicContact CZ-CB 3.95Å; F329-L400 HydrophobicContact CZ-CD1 4.37Å; L356-L400 HydrophobicContact CD2-CD2 3.84Å; V371-L400 HydrophobicContact CG2-CD1 4.48Å; G375-L400 PolarHBondContact O-N 3.27Å; M377-L400 HydrophobicContact CB-CD1 3.62Å; M377-L400 HydrophobicContact CB-CG 3.9Å; M377-L400 HydrophobicContact CE-CD1 4.39Å; M377-L400 HydrophobicContact CE-CD2 4.05Å; M377-L400 HydrophobicContact CG-CD1 4.37Å; M377-L400 HydrophobicContact SD-CD1 4.06Å; I398-L400 HydrophobicContact CG2-CD2 4.32Å
401	V	96	Very high	96.5	Very high	49 Å²	49	36.7 Å²	36.7	30%	0.297	21%	0.21	S	C	.	.	S	Bend	trans	-125.1	161.2	172.7	-59.5	0	0	0	0	108.7	L42 I324 A374 P403	L42-V401 VanDerWaalsContact CD1-C 3.44Å; L42-V401 WeakPolarHBondContact CD1-O 3.39Å; I324-V401 HydrophobicContact CD1-CG1 3.9Å; I324-V401 HydrophobicContact CG2-CG1 4.4Å; A374-V401 WeakPolarHBondContact O-CG2 3.26Å; V401-P403 WeakPolarHBondContact O-CD 3.32Å
402	V	95.7	Very high	96.4	Very high	114 Å²	114	43.3 Å²	43.3	69%	0.691	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-60.7	121.7	172.8	-179.7	0	0	0	0	108.2	L42	L42-V402 HydrophobicContact CD2-CG2 4.41Å
403	P	95.3	Very high	96.3	Very high	13 Å²	13	45.7 Å²	45.7	8%	0.084	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-63.1	145.6	178.7	-13.4	25.8	0	0	0	109.9	W399 V401 E407 L408	W399-P403 HydrophobicContact CB-CG 4.23Å; W399-P403 HydrophobicContact CD2-CB 4.03Å; W399-P403 HydrophobicContact CD2-CG 3.48Å; W399-P403 VanDerWaalsContact CD2-CG 3.48Å; W399-P403 HydrophobicContact CE3-CB 3.96Å; W399-P403 HydrophobicContact CE3-CG 3.77Å; W399-P403 HydrophobicContact CG-CG 3.68Å; W399-P403 HydrophobicContact CH2-CB 4Å; W399-P403 HydrophobicContact CZ2-CB 4.05Å; W399-P403 HydrophobicContact CZ2-CG 4.25Å; W399-P403 HydrophobicContact CZ3-CB 3.93Å; W399-P403 HydrophobicContact CZ3-CG 4.27Å; V401-P403 WeakPolarHBondContact O-CD 3.32Å; P403-E407 HydrophobicContact CB-CB 4.11Å; P403-L408 HydrophobicContact CB-CD2 3.95Å; P403-L408 HydrophobicContact CB-CG 4.06Å; P403-L408 HydrophobicContact CG-CD2 3.99Å
404	S	96.3	Very high	96.2	Very high	60 Å²	60	46.3 Å²	46.3	42%	0.42	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-65.6	159.7	173.9	75.1	0	0	0	0	110.7	L406 E407 L408	S404-L406 PolarHBondContact O-N 2.99Å; S404-L406 PolarHBondContact OG-N 2.88Å; S404-E407 PolarHBondContact O-N 2.87Å; S404-E407 PolarHBondContact OG-N 2.71Å; S404-L408 WeakPolarHBondContact O-CG 3.3Å; S404-L408 PolarHBondContact O-N 3.41Å
405	L	96.7	Very high	96	Very high	143 Å²	143	49.8 Å²	49.8	75%	0.749	28%	0.28	S	S	*	.	H	α-helix	trans	-55.5	-36.2	174	178.9	61.8	0	0	0	111.8	L408 A409	L405-L408 PolarHBondContact O-N 3.34Å; L405-A409 VanDerWaalsContact O-CB 3.24Å; L405-A409 WeakPolarHBondContact O-CB 3.44Å; L405-A409 PolarHBondContact O-N 2.94Å
406	L	95.9	Very high	95.8	Very high	95 Å²	95	52.9 Å²	52.9	50%	0.497	31%	0.306	S	S	.	.	H	α-helix	trans	-59.7	-47.4	174.8	177.8	65.2	0	0	0	111.5	S404 A409 W410 L437	S404-L406 PolarHBondContact O-N 2.99Å; S404-L406 PolarHBondContact OG-N 2.88Å; L406-A409 PolarHBondContact O-N 2.8Å; L406-W410 WeakPolarHBondContact O-CB 3.19Å; L406-W410 PolarHBondContact O-N 3.21Å; L406-L437 HydrophobicContact CD1-CD1 4.39Å; L406-L437 HydrophobicContact CD1-CD2 4.32Å
407	E	96.1	Very high	95.7	Very high	23 Å²	23	57.9 Å²	57.9	11%	0.107	33%	0.328	C	S	.	.	H	α-helix	trans	-66.5	-40.7	179.7	-66.1	-54.3	131.4	0	0	112.1	A374 W399 P403 S404 W410 E411 R440	A374-E407 HydrophobicContact CB-CG 3.9Å; W399-E407 HydrophobicContact CH2-CB 3.85Å; W399-E407 HydrophobicContact CH2-CG 3.95Å; W399-E407 HydrophobicContact CZ2-CB 4.27Å; P403-E407 HydrophobicContact CB-CB 4.11Å; S404-E407 PolarHBondContact O-N 2.87Å; S404-E407 PolarHBondContact OG-N 2.71Å; E407-W410 PolarHBondContact O-N 2.93Å; E407-E411 PolarHBondContact O-N 2.62Å; E407-R440 VanDerWaalsContact CD-NH2 3.35Å; E407-R440 IonicContact OE1-CZ 3.67Å; E407-R440 IonicContact OE1-NH1 3.73Å; E407-R440 PolarHBondContact OE1-NH1 3.49Å; E407-R440 IonicContact OE1-NH2 2.73Å; E407-R440 PolarHBondContact OE1-NH2 2.71Å; E407-R440 VanDerWaalsContact OE1-NH2 3.16Å; E407-R440 IonicContact OE2-CZ 2.82Å; E407-R440 IonicContact OE2-NH1 3.16Å; E407-R440 IonicContact OE2-NH2 3.33Å; E407-R440 PolarHBondContact OE2-NH2 2.84Å
408	L	95.6	Very high	95.3	Very high	65 Å²	65	61.3 Å²	61.3	34%	0.34	35%	0.353	S	S	.	.	H	α-helix	trans	-62	-47.1	174.9	-66.1	174.5	0	0	0	111.5	P403 S404 L405 W410 K412	P403-L408 HydrophobicContact CB-CD2 3.95Å; P403-L408 HydrophobicContact CB-CG 4.06Å; P403-L408 HydrophobicContact CG-CD2 3.99Å; S404-L408 WeakPolarHBondContact O-CG 3.3Å; S404-L408 PolarHBondContact O-N 3.41Å; L405-L408 PolarHBondContact O-N 3.34Å; L408-W410 VanDerWaalsContact C-N 3.33Å; L408-K412 VanDerWaalsContact O-CG 3.27Å; L408-K412 WeakPolarHBondContact O-CG 3.5Å; L408-K412 PolarHBondContact O-N 3.04Å; L408-K412 VanDerWaalsContact O-N 3.1Å
409	A	95.8	Very high	95	Very high	53 Å²	53	66.6 Å²	66.6	44%	0.438	38%	0.382	S	S	.	.	H	α-helix	trans	-64.1	-39.6	177.4	0	0	0	0	0	111.4	L405 L406 K412 L413	L405-A409 VanDerWaalsContact O-CB 3.24Å; L405-A409 WeakPolarHBondContact O-CB 3.44Å; L405-A409 PolarHBondContact O-N 2.94Å; L406-A409 PolarHBondContact O-N 2.8Å; A409-K412 PolarHBondContact O-N 2.85Å; A409-L413 WeakPolarHBondContact O-CB 3.2Å; A409-L413 PolarHBondContact O-N 3.41Å
410	W	95.5	Very high	94.8	Very high	13 Å²	13	66.7 Å²	66.7	5%	0.049	38%	0.383	C	S	.	.	H	α-helix	trans	-64.5	-47.5	178.1	-174.8	-120.4	0	0	0	112.2	A137 L406 E407 L408 K412 L413 L414 L420 L433 L437 R440 L441	A137-W410 HydrophobicContact CB-CZ2 4.27Å; L406-W410 WeakPolarHBondContact O-CB 3.19Å; L406-W410 PolarHBondContact O-N 3.21Å; E407-W410 PolarHBondContact O-N 2.93Å; L408-W410 VanDerWaalsContact C-N 3.33Å; W410-K412 VanDerWaalsContact C-N 3.28Å; W410-K412 PolarHBondContact O-N 3.15Å; W410-L413 HydrophobicContact CE3-CD2 3.88Å; W410-L413 HydrophobicContact CZ3-CD2 3.7Å; W410-L413 PolarHBondContact O-N 3.2Å; W410-L414 HydrophobicContact CD2-CD1 4.14Å; W410-L414 HydrophobicContact CD2-CG 4.23Å; W410-L414 HydrophobicContact CG-CD1 4.23Å; W410-L414 HydrophobicContact CH2-CD2 4.14Å; W410-L414 HydrophobicContact CZ2-CD1 4.14Å; W410-L414 HydrophobicContact CZ2-CD2 3.87Å; W410-L414 HydrophobicContact CZ2-CG 4.2Å; W410-L414 VanDerWaalsContact O-CG 3.3Å; W410-L414 WeakPolarHBondContact O-CG 3.41Å; W410-L414 PolarHBondContact O-N 2.98Å; W410-L420 HydrophobicContact CH2-CD2 4.3Å; W410-L420 HydrophobicContact CZ3-CD2 4.32Å; W410-L433 HydrophobicContact CZ3-CD2 3.92Å; W410-L437 HydrophobicContact CD2-CD2 3.92Å; W410-L437 HydrophobicContact CE3-CD1 4.16Å; W410-L437 HydrophobicContact CE3-CD2 3.82Å; W410-L437 HydrophobicContact CE3-CG 4.41Å; W410-L437 HydrophobicContact CG-CD2 4.4Å; W410-L437 HydrophobicContact CH2-CB 4.2Å; W410-L437 HydrophobicContact CZ3-CB 4.05Å; W410-L437 HydrophobicContact CZ3-CD1 4.2Å; W410-L437 HydrophobicContact CZ3-CD2 4.15Å; W410-L437 HydrophobicContact CZ3-CG 4.37Å; W410-R440 VanDerWaalsContact CD1-NH2 3.34Å; W410-L441 HydrophobicContact CH2-CB 4.18Å; W410-L441 HydrophobicContact CH2-CD1 4.44Å; W410-L441 HydrophobicContact CH2-CD2 4.35Å; W410-L441 HydrophobicContact CZ2-CB 4.18Å; W410-L441 HydrophobicContact CZ2-CD1 4.34Å
411	E	93.4	Very high	94.4	Very high	40 Å²	40	67 Å²	67	19%	0.187	39%	0.387	C	S	.	.	H	α-helix	trans	-59.4	-40.6	174.7	-74.3	-165.7	166.2	0	0	111.8	Q41 K397 W399 E407 A415	Q41-E411 PolarHBondContact NE2-OE2 3.3Å; K397-E411 IonicContact NZ-OE1 3.98Å; K397-E411 PolarHBondContact NZ-OE1 2.86Å; K397-E411 IonicContact NZ-OE2 2.65Å; W399-E411 PolarHBondContact NE1-OE1 3.36Å; E407-E411 PolarHBondContact O-N 2.62Å; E411-A415 WeakPolarHBondContact O-CB 3.48Å; E411-A415 PolarHBondContact O-N 3.17Å; E411-A415 VanDerWaalsContact O-N 3.07Å
412	K	94.8	Very high	94.4	Very high	152 Å²	152	70.6 Å²	70.6	66%	0.661	41%	0.405	S	S	*	.	H	α-helix	trans	-67.3	-41.9	177.3	-70.7	-66.6	-179	-177.7	0	112.6	L408 A409 W410 A415 A416	L408-K412 VanDerWaalsContact O-CG 3.27Å; L408-K412 WeakPolarHBondContact O-CG 3.5Å; L408-K412 PolarHBondContact O-N 3.04Å; L408-K412 VanDerWaalsContact O-N 3.1Å; A409-K412 PolarHBondContact O-N 2.85Å; W410-K412 VanDerWaalsContact C-N 3.28Å; W410-K412 PolarHBondContact O-N 3.15Å; K412-A415 PolarHBondContact O-N 2.88Å; K412-A416 WeakPolarHBondContact O-CB 3.19Å; K412-A416 PolarHBondContact O-N 2.79Å
413	L	95.1	Very high	94.4	Very high	53 Å²	53	67.6 Å²	67.6	28%	0.277	38%	0.384	S	S	.	.	H	α-helix	trans	-61.8	-47.9	177.3	-176	75.1	0	0	0	110.9	A409 W410 A415 A416 F417 L420 L433	A409-L413 WeakPolarHBondContact O-CB 3.2Å; A409-L413 PolarHBondContact O-N 3.41Å; W410-L413 HydrophobicContact CE3-CD2 3.88Å; W410-L413 HydrophobicContact CZ3-CD2 3.7Å; W410-L413 PolarHBondContact O-N 3.2Å; L413-A415 VanDerWaalsContact C-N 3.31Å; L413-A415 PolarHBondContact O-N 2.57Å; L413-A416 PolarHBondContact O-N 3.19Å; L413-F417 HydrophobicContact CD1-CD2 3.59Å; L413-F417 HydrophobicContact CD1-CE2 3.81Å; L413-F417 HydrophobicContact CG-CD2 4.25Å; L413-F417 WeakPolarHBondContact O-CD2 3.45Å; L413-F417 PolarHBondContact O-N 3.07Å; L413-L420 HydrophobicContact CD2-CD2 3.82Å; L413-L420 HydrophobicContact CG-CD2 4.16Å; L413-L433 HydrophobicContact CD2-CD2 3.85Å
414	L	94.5	Very high	94.4	Very high	26 Å²	26	69.5 Å²	69.5	14%	0.136	40%	0.398	C	S	.	.	H	α-helix	trans	-62.8	-38.7	178.9	-68.2	170.6	0	0	0	112.4	A137 W410 F417 L420 L441	A137-L414 HydrophobicContact CB-CD1 3.69Å; A137-L414 HydrophobicContact CB-CD2 3.9Å; A137-L414 HydrophobicContact CB-CG 4.46Å; W410-L414 HydrophobicContact CD2-CD1 4.14Å; W410-L414 HydrophobicContact CD2-CG 4.23Å; W410-L414 HydrophobicContact CG-CD1 4.23Å; W410-L414 HydrophobicContact CH2-CD2 4.14Å; W410-L414 HydrophobicContact CZ2-CD1 4.14Å; W410-L414 HydrophobicContact CZ2-CD2 3.87Å; W410-L414 HydrophobicContact CZ2-CG 4.2Å; W410-L414 VanDerWaalsContact O-CG 3.3Å; W410-L414 WeakPolarHBondContact O-CG 3.41Å; W410-L414 PolarHBondContact O-N 2.98Å; L414-F417 CarbonylContact O-C 3.39Å; L414-L420 HydrophobicContact CD2-CD2 4.2Å; L414-L441 HydrophobicContact CD2-CD1 3.84Å
415	A	91.9	Very high	94.5	Very high	80 Å²	80	72.1 Å²	72.1	66%	0.661	40%	0.399	S	S	*	.	H	α-helix	trans	-67.1	-37	175.5	0	0	0	0	0	112.6	E411 K412 L413	E411-A415 WeakPolarHBondContact O-CB 3.48Å; E411-A415 PolarHBondContact O-N 3.17Å; E411-A415 VanDerWaalsContact O-N 3.07Å; K412-A415 PolarHBondContact O-N 2.88Å; L413-A415 VanDerWaalsContact C-N 3.31Å; L413-A415 PolarHBondContact O-N 2.57Å
416	A	95.1	Very high	94.5	Very high	65 Å²	65	69.4 Å²	69.4	54%	0.537	39%	0.388	S	S	.	.	H	α-helix	trans	-75.7	-31.5	178.2	0	0	0	0	0	112.8	K412 L413 P418	K412-A416 WeakPolarHBondContact O-CB 3.19Å; K412-A416 PolarHBondContact O-N 2.79Å; L413-A416 PolarHBondContact O-N 3.19Å; A416-P418 WeakPolarHBondContact O-CD 3.08Å
417	F	94.6	Very high	94.6	Very high	120 Å²	120	69.7 Å²	69.7	53%	0.526	39%	0.387	S	S	.	.			trans	-126.8	71.4	-176.3	-57.8	-81	0	0	0	111.2	L413 L414 N419 L420	L413-F417 HydrophobicContact CD1-CD2 3.59Å; L413-F417 HydrophobicContact CD1-CE2 3.81Å; L413-F417 HydrophobicContact CG-CD2 4.25Å; L413-F417 WeakPolarHBondContact O-CD2 3.45Å; L413-F417 PolarHBondContact O-N 3.07Å; L414-F417 CarbonylContact O-C 3.39Å; F417-N419 PolarHBondContact O-N 2.68Å; F417-N419 VanDerWaalsContact O-N 3.08Å; F417-L420 HydrophobicContact CB-CB 4.21Å; F417-L420 WeakPolarHBondContact O-CB 3.37Å; F417-L420 PolarHBondContact O-N 2.79Å
418	P	88.8	Confident	94.6	Very high	101 Å²	101	68.6 Å²	68.6	66%	0.656	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.5	-176.4	23.5	-34.4	0	0	0	113.7	A416 L420	A416-P418 WeakPolarHBondContact O-CD 3.08Å; P418-L420 VanDerWaalsContact C-N 3.31Å
419	N	91.5	Very high	94.7	Very high	112 Å²	112	69.7 Å²	69.7	60%	0.599	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	2.5	177.8	-65	-38.8	0	0	0	113.8	F417 A421 N422	F417-N419 PolarHBondContact O-N 2.68Å; F417-N419 VanDerWaalsContact O-N 3.08Å; N419-A421 PolarHBondContact O-N 2.83Å; N419-N422 WeakPolarHBondContact O-CB 3.15Å; N419-N422 PolarHBondContact O-N 3.49Å
420	L	93.7	Very high	94.7	Very high	11 Å²	11	74.7 Å²	74.7	6%	0.058	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-55.6	-36.7	-177.7	-166.8	70.1	0	0	0	111.6	W410 L413 L414 F417 P418 N422 L423 L428 L431 L433 L441	W410-L420 HydrophobicContact CH2-CD2 4.3Å; W410-L420 HydrophobicContact CZ3-CD2 4.32Å; L413-L420 HydrophobicContact CD2-CD2 3.82Å; L413-L420 HydrophobicContact CG-CD2 4.16Å; L414-L420 HydrophobicContact CD2-CD2 4.2Å; F417-L420 HydrophobicContact CB-CB 4.21Å; F417-L420 WeakPolarHBondContact O-CB 3.37Å; F417-L420 PolarHBondContact O-N 2.79Å; P418-L420 VanDerWaalsContact C-N 3.31Å; L420-N422 PolarHBondContact O-N 2.9Å; L420-L423 HydrophobicContact CD1-CD1 4.1Å; L420-L423 PolarHBondContact O-N 2.91Å; L420-L428 HydrophobicContact CD1-CD2 3.69Å; L420-L428 HydrophobicContact CG-CD2 3.79Å; L420-L431 HydrophobicContact CD1-CD1 4.11Å; L420-L433 HydrophobicContact CD1-CD1 4.25Å; L420-L433 HydrophobicContact CD2-CD1 4.09Å; L420-L433 HydrophobicContact CG-CD1 4.34Å; L420-L441 HydrophobicContact CB-CD2 4.34Å; L420-L441 HydrophobicContact CD2-CD2 4.02Å; L420-L441 HydrophobicContact CG-CD2 3.77Å
421	A	90.9	Very high	94.7	Very high	19 Å²	19	79.5 Å²	79.5	16%	0.157	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-63.4	-22.5	177.7	0	0	0	0	0	114.2	T138 N419 L441 K442	T138-A421 HydrophobicContact CG2-CB 3.54Å; N419-A421 PolarHBondContact O-N 2.83Å; A421-L441 HydrophobicContact CB-CD1 3.83Å; A421-L441 HydrophobicContact CB-CG 4.25Å; A421-K442 PolarHBondContact O-NZ 2.86Å
422	N	94.2	Very high	94.8	Very high	125 Å²	125	80.6 Å²	80.6	67%	0.668	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-82	-18.8	-178.7	-60.4	-20.6	0	0	0	112.6	N419 L420	N419-N422 WeakPolarHBondContact O-CB 3.15Å; N419-N422 PolarHBondContact O-N 3.49Å; L420-N422 PolarHBondContact O-N 2.9Å
423	L	96.2	Very high	94.8	Very high	50 Å²	50	74.2 Å²	74.2	26%	0.262	42%	0.423	S	S	.	.	S	Bend	trans	-69.8	146.8	179.9	-59.9	-176.7	0	0	0	111.6	L420 Q427 L428 L431 K442	L420-L423 HydrophobicContact CD1-CD1 4.1Å; L420-L423 PolarHBondContact O-N 2.91Å; L423-Q427 HydrophobicContact CB-CB 4.07Å; L423-L428 HydrophobicContact CB-CD2 3.95Å; L423-L428 HydrophobicContact CB-CG 3.97Å; L423-L428 HydrophobicContact CD1-CD2 4.11Å; L423-L431 HydrophobicContact CD1-CD1 3.5Å; L423-L431 VanDerWaalsContact CD1-CD1 3.5Å; L423-K442 VanDerWaalsContact O-CE 3.27Å; L423-K442 WeakPolarHBondContact O-CE 3.28Å; L423-K442 PolarHBondContact O-NZ 2.73Å
424	S	96.6	Very high	94.8	Very high	53 Å²	53	75.7 Å²	75.7	37%	0.371	43%	0.434	S	S	.	.			trans	-64.8	159.5	174.4	70.7	0	0	0	0	111.7	T426 Q427 L428	S424-T426 PolarHBondContact O-N 2.86Å; S424-Q427 PolarHBondContact O-N 2.9Å; S424-Q427 VanDerWaalsContact O-N 3.15Å; S424-Q427 WeakPolarHBondContact OG-CG 3.4Å; S424-Q427 PolarHBondContact OG-N 2.83Å; S424-Q427 PolarHBondContact OG-OE1 2.87Å; S424-Q427 VanDerWaalsContact OG-OE1 3.05Å; S424-L428 WeakPolarHBondContact O-CG 3.35Å; S424-L428 PolarHBondContact O-N 3.49Å
425	R	96.8	Very high	94.9	Very high	116 Å²	116	78.7 Å²	78.7	44%	0.438	45%	0.448	S	S	.	.	H	α-helix	trans	-55.1	-40.4	175.3	-73.3	-176.2	173.5	-104.4	-0.2	111.6	L428 L429 I438	R425-L428 PolarHBondContact O-N 3.43Å; R425-L429 WeakPolarHBondContact O-CG 3.42Å; R425-L429 PolarHBondContact O-N 3.4Å; R425-I438 HydrophobicContact CB-CG2 4.5Å; R425-I438 HydrophobicContact CG-CG2 3.93Å
426	T	97.3	Very high	95	Very high	86 Å²	86	76.7 Å²	76.7	53%	0.528	44%	0.435	S	S	.	.	H	α-helix	trans	-60.7	-49.2	176.5	-52.4	0	0	0	0	111.4	S424 L428 L429 H430	S424-T426 PolarHBondContact O-N 2.86Å; T426-L428 VanDerWaalsContact C-N 3.3Å; T426-L428 PolarHBondContact O-N 2.84Å; T426-L429 PolarHBondContact O-N 2.93Å; T426-H430 VanDerWaalsContact CG2-CE1 3.46Å; T426-H430 WeakPolarHBondContact CG2-CE1 3.34Å; T426-H430 PolarHBondContact O-N 2.82Å; T426-H430 PolarHBondContact O-ND1 2.77Å
427	Q	97.6	Very high	95	Very high	100 Å²	100	74.6 Å²	74.6	47%	0.467	41%	0.414	S	S	.	.	H	α-helix	trans	-60.1	-40.4	178	-74.1	168	-53.9	0	0	112.1	L423 S424 H430 L431	L423-Q427 HydrophobicContact CB-CB 4.07Å; S424-Q427 PolarHBondContact O-N 2.9Å; S424-Q427 VanDerWaalsContact O-N 3.15Å; S424-Q427 WeakPolarHBondContact OG-CG 3.4Å; S424-Q427 PolarHBondContact OG-N 2.83Å; S424-Q427 PolarHBondContact OG-OE1 2.87Å; S424-Q427 VanDerWaalsContact OG-OE1 3.05Å; Q427-H430 PolarHBondContact O-N 3.2Å; Q427-L431 WeakPolarHBondContact O-CG 3.42Å; Q427-L431 PolarHBondContact O-N 2.78Å
428	L	97.3	Very high	95.1	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-65.4	-40.6	178.8	-66.9	166.1	0	0	0	112.6	L420 L423 S424 R425 T426 H430 L431 G432 L433 I438 L441	L420-L428 HydrophobicContact CD1-CD2 3.69Å; L420-L428 HydrophobicContact CG-CD2 3.79Å; L423-L428 HydrophobicContact CB-CD2 3.95Å; L423-L428 HydrophobicContact CB-CG 3.97Å; L423-L428 HydrophobicContact CD1-CD2 4.11Å; S424-L428 WeakPolarHBondContact O-CG 3.35Å; S424-L428 PolarHBondContact O-N 3.49Å; R425-L428 PolarHBondContact O-N 3.43Å; T426-L428 VanDerWaalsContact C-N 3.3Å; T426-L428 PolarHBondContact O-N 2.84Å; L428-H430 VanDerWaalsContact C-N 3.33Å; L428-L431 PolarHBondContact O-N 3.32Å; L428-G432 PolarHBondContact O-N 3.14Å; L428-L433 HydrophobicContact CB-CD1 4.08Å; L428-L433 HydrophobicContact CD2-CD1 3.53Å; L428-L433 HydrophobicContact CG-CD1 4.36Å; L428-L433 WeakPolarHBondContact O-CB 3.34Å; L428-L433 PolarHBondContact O-N 2.71Å; L428-L433 VanDerWaalsContact O-N 3.14Å; L428-I438 HydrophobicContact CB-CD1 3.77Å; L428-I438 HydrophobicContact CB-CG1 3.83Å; L428-I438 HydrophobicContact CD1-CG1 4.36Å; L428-I438 HydrophobicContact CD1-CG2 4.24Å; L428-L441 HydrophobicContact CD1-CD2 3.89Å; L428-L441 HydrophobicContact CD2-CD2 3.83Å
429	L	96.7	Very high	95.4	Very high	89 Å²	89	69 Å²	69	47%	0.466	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-41.1	172.9	-72.5	168.3	0	0	0	111.4	R425 T426 L431 G432 I438	R425-L429 WeakPolarHBondContact O-CG 3.42Å; R425-L429 PolarHBondContact O-N 3.4Å; T426-L429 PolarHBondContact O-N 2.93Å; L429-L431 PolarHBondContact O-N 2.9Å; L429-G432 WeakPolarHBondContact O-CA 3.16Å; L429-G432 PolarHBondContact O-N 3.34Å; L429-I438 HydrophobicContact CB-CD1 4.45Å; L429-I438 HydrophobicContact CD2-CD1 3.54Å; L429-I438 HydrophobicContact CG-CD1 3.55Å
430	H	97	Very high	95.5	Very high	158 Å²	158	65.5 Å²	65.5	73%	0.731	36%	0.359	S	S	*	.	H	α-helix	trans	-65.1	-27.5	176.4	-74.7	77.1	0	0	0	112.8	T426 Q427 L428 G432	T426-H430 VanDerWaalsContact CG2-CE1 3.46Å; T426-H430 WeakPolarHBondContact CG2-CE1 3.34Å; T426-H430 PolarHBondContact O-N 2.82Å; T426-H430 PolarHBondContact O-ND1 2.77Å; Q427-H430 PolarHBondContact O-N 3.2Å; L428-H430 VanDerWaalsContact C-N 3.33Å; H430-G432 PolarHBondContact O-N 3.47Å
431	L	95.1	Very high	95.5	Very high	113 Å²	113	65.1 Å²	65.1	59%	0.592	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-0.6	171.4	-68	174.3	0	0	0	113.4	L420 L423 Q427 L428 L429	L420-L431 HydrophobicContact CD1-CD1 4.11Å; L423-L431 HydrophobicContact CD1-CD1 3.5Å; L423-L431 VanDerWaalsContact CD1-CD1 3.5Å; Q427-L431 WeakPolarHBondContact O-CG 3.42Å; Q427-L431 PolarHBondContact O-N 2.78Å; L428-L431 PolarHBondContact O-N 3.32Å; L429-L431 PolarHBondContact O-N 2.9Å
432	G	95	Very high	95.5	Very high	63 Å²	63	69.2 Å²	69.2	65%	0.649	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	12	179.3	0	0	0	0	0	114.6	L428 L429 H430	L428-G432 PolarHBondContact O-N 3.14Å; L429-G432 WeakPolarHBondContact O-CA 3.16Å; L429-G432 PolarHBondContact O-N 3.34Å; H430-G432 PolarHBondContact O-N 3.47Å
433	L	95.4	Very high	95.5	Very high	18 Å²	18	66.4 Å²	66.4	9%	0.094	36%	0.357	C	S	.	.			trans	-71.9	134.7	173.2	-67.7	175	0	0	0	110.8	W410 L413 L420 L428 L437 I438	W410-L433 HydrophobicContact CZ3-CD2 3.92Å; L413-L433 HydrophobicContact CD2-CD2 3.85Å; L420-L433 HydrophobicContact CD1-CD1 4.25Å; L420-L433 HydrophobicContact CD2-CD1 4.09Å; L420-L433 HydrophobicContact CG-CD1 4.34Å; L428-L433 HydrophobicContact CB-CD1 4.08Å; L428-L433 HydrophobicContact CD2-CD1 3.53Å; L428-L433 HydrophobicContact CG-CD1 4.36Å; L428-L433 WeakPolarHBondContact O-CB 3.34Å; L428-L433 PolarHBondContact O-N 2.71Å; L428-L433 VanDerWaalsContact O-N 3.14Å; L433-L437 HydrophobicContact CD2-CB 4.42Å; L433-L437 HydrophobicContact CD2-CD1 3.95Å; L433-I438 HydrophobicContact CB-CD1 4.31Å; L433-I438 HydrophobicContact CB-CG1 3.94Å
434	T	95.5	Very high	95.5	Very high	85 Å²	85	67.3 Å²	67.3	52%	0.521	36%	0.362	S	S	.	.			trans	-70.7	155.7	175.2	65.2	0	0	0	0	111	G436 L437 I438	T434-G436 PolarHBondContact O-N 3.44Å; T434-L437 PolarHBondContact O-N 2.97Å; T434-L437 PolarHBondContact OG1-N 3.42Å; T434-I438 WeakPolarHBondContact O-CG1 3.27Å; T434-I438 PolarHBondContact O-N 2.77Å
435	Q	95.3	Very high	95.4	Very high	89 Å²	89	68.1 Å²	68.1	42%	0.416	36%	0.361	S	S	.	.	H	α-helix	trans	-52.3	-40.5	176.3	-179.2	63.3	25.6	0	0	112.5	L437 I438 E439	Q435-L437 PolarHBondContact O-N 3.14Å; Q435-I438 PolarHBondContact O-N 2.55Å; Q435-E439 PolarHBondContact NE2-OE1 2.82Å; Q435-E439 WeakPolarHBondContact O-CG 3.45Å; Q435-E439 PolarHBondContact O-N 3.45Å
436	G	94.2	Very high	95.3	Very high	38 Å²	38	65.2 Å²	65.2	39%	0.392	36%	0.357	S	S	.	.	H	α-helix	trans	-65	-37.7	177.9	0	0	0	0	0	113.8	T434 E439 R440	T434-G436 PolarHBondContact O-N 3.44Å; G436-E439 PolarHBondContact O-N 3.45Å; G436-R440 WeakPolarHBondContact O-CG 3.36Å; G436-R440 PolarHBondContact O-N 2.85Å; G436-R440 VanDerWaalsContact O-N 3.11Å
437	L	95.5	Very high	95.2	Very high	21 Å²	21	63.9 Å²	63.9	11%	0.11	35%	0.346	C	S	.	.	H	α-helix	trans	-70.7	-36	174.2	-71.1	178.3	0	0	0	111.8	L406 W410 L433 T434 Q435 E439 R440 L441	L406-L437 HydrophobicContact CD1-CD1 4.39Å; L406-L437 HydrophobicContact CD1-CD2 4.32Å; W410-L437 HydrophobicContact CD2-CD2 3.92Å; W410-L437 HydrophobicContact CE3-CD1 4.16Å; W410-L437 HydrophobicContact CE3-CD2 3.82Å; W410-L437 HydrophobicContact CE3-CG 4.41Å; W410-L437 HydrophobicContact CG-CD2 4.4Å; W410-L437 HydrophobicContact CH2-CB 4.2Å; W410-L437 HydrophobicContact CZ3-CB 4.05Å; W410-L437 HydrophobicContact CZ3-CD1 4.2Å; W410-L437 HydrophobicContact CZ3-CD2 4.15Å; W410-L437 HydrophobicContact CZ3-CG 4.37Å; L433-L437 HydrophobicContact CD2-CB 4.42Å; L433-L437 HydrophobicContact CD2-CD1 3.95Å; T434-L437 PolarHBondContact O-N 2.97Å; T434-L437 PolarHBondContact OG1-N 3.42Å; Q435-L437 PolarHBondContact O-N 3.14Å; L437-E439 VanDerWaalsContact C-N 3.31Å; L437-E439 PolarHBondContact O-N 2.98Å; L437-R440 PolarHBondContact O-N 3.5Å; L437-L441 WeakPolarHBondContact O-CB 3.29Å; L437-L441 PolarHBondContact O-N 3.11Å; L437-L441 VanDerWaalsContact O-N 3.11Å
438	I	96.5	Very high	95.1	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.3	-40.1	174.3	-65.4	173	0	0	0	110.5	R425 L428 L429 L433 T434 Q435 R440 L441 K442	R425-I438 HydrophobicContact CB-CG2 4.5Å; R425-I438 HydrophobicContact CG-CG2 3.93Å; L428-I438 HydrophobicContact CB-CD1 3.77Å; L428-I438 HydrophobicContact CB-CG1 3.83Å; L428-I438 HydrophobicContact CD1-CG1 4.36Å; L428-I438 HydrophobicContact CD1-CG2 4.24Å; L429-I438 HydrophobicContact CB-CD1 4.45Å; L429-I438 HydrophobicContact CD2-CD1 3.54Å; L429-I438 HydrophobicContact CG-CD1 3.55Å; L433-I438 HydrophobicContact CB-CD1 4.31Å; L433-I438 HydrophobicContact CB-CG1 3.94Å; T434-I438 WeakPolarHBondContact O-CG1 3.27Å; T434-I438 PolarHBondContact O-N 2.77Å; Q435-I438 PolarHBondContact O-N 2.55Å; I438-R440 VanDerWaalsContact C-N 3.34Å; I438-L441 PolarHBondContact O-N 3.05Å; I438-L441 VanDerWaalsContact O-N 3.16Å; I438-K442 HydrophobicContact CG2-CG 4.1Å; I438-K442 WeakPolarHBondContact O-CB 3.36Å; I438-K442 VanDerWaalsContact O-CG 3.26Å; I438-K442 WeakPolarHBondContact O-CG 3.4Å; I438-K442 PolarHBondContact O-N 2.99Å; I438-K442 VanDerWaalsContact O-N 3.13Å
439	E	94	Very high	94.9	Very high	103 Å²	103	65.9 Å²	65.9	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-66.8	-32	174.9	-74.3	170.6	-170.7	0	0	113.3	Q435 G436 L437 L441	Q435-E439 PolarHBondContact NE2-OE1 2.82Å; Q435-E439 WeakPolarHBondContact O-CG 3.45Å; Q435-E439 PolarHBondContact O-N 3.45Å; G436-E439 PolarHBondContact O-N 3.45Å; L437-E439 VanDerWaalsContact C-N 3.31Å; L437-E439 PolarHBondContact O-N 2.98Å; E439-L441 PolarHBondContact O-N 3.35Å
440	R	94.1	Very high	94.8	Very high	38 Å²	38	64.2 Å²	64.2	14%	0.143	35%	0.354	C	S	.	.	H	α-helix	trans	-72.8	-16.9	171.9	-71.1	173.9	63.4	-177.5	3.9	113.9	N101 H135 E407 W410 G436 L437 I438	N101-R440 HydrophobicContact CB-CG 4.49Å; H135-R440 PolarHBondContact NE2-O 3.36Å; E407-R440 VanDerWaalsContact CD-NH2 3.35Å; E407-R440 IonicContact OE1-CZ 3.67Å; E407-R440 IonicContact OE1-NH1 3.73Å; E407-R440 PolarHBondContact OE1-NH1 3.49Å; E407-R440 IonicContact OE1-NH2 2.73Å; E407-R440 PolarHBondContact OE1-NH2 2.71Å; E407-R440 VanDerWaalsContact OE1-NH2 3.16Å; E407-R440 IonicContact OE2-CZ 2.82Å; E407-R440 IonicContact OE2-NH1 3.16Å; E407-R440 IonicContact OE2-NH2 3.33Å; E407-R440 PolarHBondContact OE2-NH2 2.84Å; W410-R440 VanDerWaalsContact CD1-NH2 3.34Å; G436-R440 WeakPolarHBondContact O-CG 3.36Å; G436-R440 PolarHBondContact O-N 2.85Å; G436-R440 VanDerWaalsContact O-N 3.11Å; L437-R440 PolarHBondContact O-N 3.5Å; I438-R440 VanDerWaalsContact C-N 3.34Å
441	L	94.6	Very high	94.6	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-97.6	-21.3	-178.3	-174.3	61.8	0	0	0	112.9	H135 A137 W410 L414 L420 A421 L428 L437 I438 E439	H135-L441 PolarHBondContact CE1-O 2.93Å; H135-L441 VanDerWaalsContact CE1-O 3.25Å; A137-L441 HydrophobicContact CB-CD1 3.78Å; W410-L441 HydrophobicContact CH2-CB 4.18Å; W410-L441 HydrophobicContact CH2-CD1 4.44Å; W410-L441 HydrophobicContact CH2-CD2 4.35Å; W410-L441 HydrophobicContact CZ2-CB 4.18Å; W410-L441 HydrophobicContact CZ2-CD1 4.34Å; L414-L441 HydrophobicContact CD2-CD1 3.84Å; L420-L441 HydrophobicContact CB-CD2 4.34Å; L420-L441 HydrophobicContact CD2-CD2 4.02Å; L420-L441 HydrophobicContact CG-CD2 3.77Å; A421-L441 HydrophobicContact CB-CD1 3.83Å; A421-L441 HydrophobicContact CB-CG 4.25Å; L428-L441 HydrophobicContact CD1-CD2 3.89Å; L428-L441 HydrophobicContact CD2-CD2 3.83Å; L437-L441 WeakPolarHBondContact O-CB 3.29Å; L437-L441 PolarHBondContact O-N 3.11Å; L437-L441 VanDerWaalsContact O-N 3.11Å; I438-L441 PolarHBondContact O-N 3.05Å; I438-L441 VanDerWaalsContact O-N 3.16Å; E439-L441 PolarHBondContact O-N 3.35Å
442	K	89.6	Confident	94.5	Very high	104 Å²	104	51.2 Å²	51.2	45%	0.452	30%	0.298	S	S	.	.			trans	-110	0	-164.7	-72.5	-62.5	-173.6	-175.1	0	115.7	A421 L423 I438	A421-K442 PolarHBondContact O-NZ 2.86Å; L423-K442 VanDerWaalsContact O-CE 3.27Å; L423-K442 WeakPolarHBondContact O-CE 3.28Å; L423-K442 PolarHBondContact O-NZ 2.73Å; I438-K442 HydrophobicContact CG2-CG 4.1Å; I438-K442 WeakPolarHBondContact O-CB 3.36Å; I438-K442 VanDerWaalsContact O-CG 3.26Å; I438-K442 WeakPolarHBondContact O-CG 3.4Å; I438-K442 PolarHBondContact O-N 2.99Å; I438-K442 VanDerWaalsContact O-N 3.13Å

Retrieved 442 of 442 residues in 121.9 ms (Link to these results)

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