A0A087XU90_POEFO Loading...

Carotenoid-cleaving dioxygenase, mitochondrial

Broad specificity mitochondrial dioxygenase that mediates the asymmetric oxidative cleavage of carotenoids. Cleaves carotenes (pure hydrocarbon carotenoids) such as all-trans-beta-carotene and lycopene as well as xanthophylls (oxygenated carotenoids) such as zeaxanthin, lutein and beta-cryptoxanthin at both the 9,10 and the 9',10' carbon-carbon double bond. Through its function in carotenoids metabolism regulates oxidative stress and the production of important signaling molecules.

AlphaFold DB , UniProt , Accession A0A087XU90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 549 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	41.4	Very low	31.9	Very low	246 Å²	246	143.6 Å²	143.6	100%	1.212	81%	0.81	S	S	*	*				0	116.2	0	-73.1	177.6	-167.2	0	0	106.6
2	A	26.8	Very low	32	Very low	87 Å²	87	138.7 Å²	138.7	72%	0.719	80%	0.801	S	S	*	*			trans	-66.6	150.5	179	0	0	0	0	0	110.4	V4	A2-V4 PolarHBondContact O-N 2.69Å
3	P	29.3	Very low	31.7	Very low	123 Å²	123	142.4 Å²	142.4	80%	0.799	80%	0.802	S	S	*	*			trans	-65.9	128.2	173	27.2	-29.7	0	0	0	108.7	E5	P3-E5 PolarHBondContact O-N 2.93Å; P3-E5 VanDerWaalsContact O-N 3.16Å
4	V	29.5	Very low	31.7	Very low	135 Å²	135	140.4 Å²	140.4	82%	0.818	80%	0.798	S	S	*	*			trans	-71	106.9	171.6	177.4	0	0	0	0	106.8	A2 V6	A2-V4 PolarHBondContact O-N 2.69Å; V4-V6 PolarHBondContact O-N 2.87Å
5	E	28.3	Very low	32.6	Very low	177 Å²	177	138 Å²	138	83%	0.827	79%	0.787	S	S	*	*			trans	-60	114.4	162.3	-80.7	178.9	150.8	0	0	107.7	P3 E7	P3-E5 PolarHBondContact O-N 2.93Å; P3-E5 VanDerWaalsContact O-N 3.16Å; E5-E7 VanDerWaalsContact C-N 3.32Å; E5-E7 PolarHBondContact O-N 3Å; E5-E7 VanDerWaalsContact O-N 3.09Å
6	V	33	Very low	33.5	Very low	134 Å²	134	132.4 Å²	132.4	81%	0.812	76%	0.763	S	S	*	*			trans	-73.5	97.7	163.8	-177.7	0	0	0	0	105.2	V4 N8	V4-V6 PolarHBondContact O-N 2.87Å; V6-N8 PolarHBondContact O-N 3.48Å
7	E	28.3	Very low	34.7	Very low	176 Å²	176	135.9 Å²	135.9	82%	0.822	77%	0.767	S	S	*	*			trans	-49.6	128.5	167	-83.9	-175.9	152.3	0	0	108.7	E5 P9	E5-E7 VanDerWaalsContact C-N 3.32Å; E5-E7 PolarHBondContact O-N 3Å; E5-E7 VanDerWaalsContact O-N 3.09Å; E7-P9 WeakPolarHBondContact O-CD 3.19Å
8	N	35.1	Very low	36.2	Very low	121 Å²	121	131.8 Å²	131.8	65%	0.647	75%	0.746	S	S	*	*			trans	-91	96.1	-177.6	-167	17.9	0	0	0	107.5	V6 D10	V6-N8 PolarHBondContact O-N 3.48Å; N8-D10 PolarHBondContact O-N 2.48Å
9	P	32.6	Very low	38.3	Very low	116 Å²	116	133.5 Å²	133.5	75%	0.753	74%	0.744	S	S	*	*	S	Bend	trans	-89.7	69.4	-179.8	31.8	-14.6	0	0	0	107	E7	E7-P9 WeakPolarHBondContact O-CD 3.19Å
10	D	31.7	Very low	40.9	Very low	144 Å²	144	132.5 Å²	132.5	77%	0.77	74%	0.741	S	S	*	*			trans	159.4	79.5	159.8	-86.2	-25.7	0	0	0	106.7	N8 A12	N8-D10 PolarHBondContact O-N 2.48Å; D10-A12 PolarHBondContact O-N 3.44Å
11	V	34.8	Very low	43.3	Very low	121 Å²	121	128.3 Å²	128.3	73%	0.733	72%	0.719	S	S	*	*			trans	-51.6	105	147.5	175.6	0	0	0	0	104.8	K13	V11-K13 PolarHBondContact O-N 2.81Å
12	A	32.7	Very low	45.9	Very low	84 Å²	84	121.8 Å²	121.8	69%	0.694	69%	0.693	S	S	*	*			trans	-43.9	115.1	172.3	0	0	0	0	0	107	D10	D10-A12 PolarHBondContact O-N 3.44Å
13	K	28.2	Very low	49.1	Very low	187 Å²	187	120.7 Å²	120.7	81%	0.813	69%	0.69	S	S	*	*			trans	-47.3	138.7	167.9	-77.8	178.5	177.5	175.8	0	106.6	V11 T15	V11-K13 PolarHBondContact O-N 2.81Å; K13-T15 PolarHBondContact O-N 3.19Å
14	P	32	Very low	52.3	Low	115 Å²	115	116 Å²	116	75%	0.747	66%	0.658	S	S	*	*			trans	-48.3	121.4	-179.1	19.3	-30	0	0	0	107.7	A16	P14-A16 PolarHBondContact O-N 2.98Å
15	T	45.9	Very low	55.4	Low	104 Å²	104	113.1 Å²	113.1	64%	0.638	64%	0.636	S	S	*	*			trans	-42.3	131.8	170.3	33.3	0	0	0	0	107.1	K13 K17	K13-T15 PolarHBondContact O-N 3.19Å; T15-K17 PolarHBondContact O-N 3.48Å
16	A	47.1	Very low	58.6	Low	49 Å²	49	106.5 Å²	106.5	41%	0.405	61%	0.609	S	S	.	*			trans	-45.8	109.7	176.9	0	0	0	0	0	107.2	P14 T18 Y427	P14-A16 PolarHBondContact O-N 2.98Å; A16-T18 PolarHBondContact O-N 2.87Å; A16-Y427 HydrophobicContact CB-CD2 4.27Å; A16-Y427 HydrophobicContact CB-CE2 4.38Å
17	K	53.6	Low	61.7	Low	191 Å²	191	100.1 Å²	100.1	83%	0.83	57%	0.57	S	S	*	*			trans	-61.1	114.8	-175.6	-78.2	-174.2	177	-176.9	0	105.6	T15 K19	T15-K17 PolarHBondContact O-N 3.48Å; K17-K19 PolarHBondContact O-N 2.8Å
18	T	61.8	Low	64.9	Low	62 Å²	62	92.9 Å²	92.9	38%	0.38	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-48.4	126.3	171.6	-11.1	0	0	0	0	107	A16 V20	A16-T18 PolarHBondContact O-N 2.87Å; T18-V20 PolarHBondContact O-N 2.79Å
19	K	76.3	Confident	67.8	Low	165 Å²	165	90.2 Å²	90.2	72%	0.717	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-57.4	137.3	179.4	-73.1	173.1	-178.1	161.6	0	108.1	K17 V21	K17-K19 PolarHBondContact O-N 2.8Å; K19-V21 PolarHBondContact O-N 3.31Å
20	V	89	Confident	70.9	Confident	113 Å²	113	84.9 Å²	84.9	69%	0.685	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-60.9	121.5	172.1	177.7	0	0	0	0	107.5	T18 T22	T18-V20 PolarHBondContact O-N 2.79Å; V20-T22 HydrophobicContact CG1-CG2 4.43Å
21	V	92.4	Very high	74	Confident	44 Å²	44	78 Å²	78	27%	0.267	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-90.9	136.4	180	-177.2	0	0	0	0	109.1	K19 L24 Y369 N370	K19-V21 PolarHBondContact O-N 3.31Å; V21-L24 HydrophobicContact CG1-CD1 4.37Å; V21-L24 HydrophobicContact CG1-CD2 3.65Å; V21-L24 HydrophobicContact CG1-CG 3.88Å; V21-Y369 HydrophobicContact CB-CD1 3.94Å; V21-Y369 HydrophobicContact CB-CE1 3.95Å; V21-Y369 HydrophobicContact CG2-CD1 4.11Å; V21-Y369 HydrophobicContact CG2-CE1 3.59Å; V21-N370 PolarHBondContact N-OD1 2.79Å; V21-N370 PolarHBondContact O-ND2 3.36Å
22	T	94.8	Very high	76.9	Confident	110 Å²	110	74.2 Å²	74.2	68%	0.675	44%	0.437	S	S	*	.			trans	-136.2	149	178.8	59.5	0	0	0	0	110.5	V20 D366	V20-T22 HydrophobicContact CG1-CG2 4.43Å; T22-D366 WeakPolarHBondContact CA-OD2 3.22Å
23	G	95.1	Very high	79.9	Confident	64 Å²	64	71.8 Å²	71.8	66%	0.66	41%	0.413	S	S	*	.			trans	76.7	33.5	176.3	0	0	0	0	0	113.3	E25 D366	G23-E25 PolarHBondContact O-N 2.85Å; G23-D366 VanDerWaalsContact N-CG 3.34Å; G23-D366 PolarHBondContact N-OD1 3.43Å; G23-D366 PolarHBondContact N-OD2 2.91Å
24	L	95.5	Very high	83.2	Confident	25 Å²	25	63.5 Å²	63.5	13%	0.131	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-61.6	133.5	171.5	-69.5	175.1	0	0	0	110.4	V21 L365 D366 Y369	V21-L24 HydrophobicContact CG1-CD1 4.37Å; V21-L24 HydrophobicContact CG1-CD2 3.65Å; V21-L24 HydrophobicContact CG1-CG 3.88Å; L24-L365 HydrophobicContact CB-CD2 3.72Å; L24-L365 HydrophobicContact CB-CG 4Å; L24-L365 HydrophobicContact CD1-CG 4.19Å; L24-D366 WeakPolarHBondContact CB-OD1 3.44Å; L24-D366 WeakPolarHBondContact CG-OD1 3.41Å; L24-D366 PolarHBondContact N-OD1 3.3Å; L24-Y369 HydrophobicContact CD1-CD1 4.1Å; L24-Y369 HydrophobicContact CD1-CD2 4.3Å; L24-Y369 HydrophobicContact CD1-CG 3.7Å
25	E	95.4	Very high	86.3	Confident	74 Å²	74	65.2 Å²	65.2	35%	0.346	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-70.6	144.4	174.1	177.7	-178.7	-126.6	0	0	110.2	G23 I27 L365 H457 G480 Y482 P509	G23-E25 PolarHBondContact O-N 2.85Å; E25-I27 PolarHBondContact O-N 2.92Å; E25-L365 WeakPolarHBondContact O-CD2 3.25Å; E25-H457 PolarHBondContact O-NE2 3.44Å; E25-G480 VanDerWaalsContact OE2-CA 3.25Å; E25-G480 WeakPolarHBondContact OE2-CA 3.16Å; E25-Y482 WeakPolarHBondContact CB-OH 3.23Å; E25-Y482 WeakPolarHBondContact OE2-CE2 3.44Å; E25-Y482 PolarHBondContact OE2-OH 3.49Å; E25-P509 HydrophobicContact CG-CG 4.08Å; E25-P509 WeakPolarHBondContact OE2-CG 3.3Å
26	S	96.3	Very high	88.7	Confident	37 Å²	37	63.4 Å²	63.4	26%	0.259	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-68.7	125.4	177.4	-178.7	0	0	0	0	111	A28 P509	S26-A28 VanDerWaalsContact C-N 3.35Å; S26-A28 WeakPolarHBondContact OG-CB 3.45Å; S26-A28 PolarHBondContact OG-N 3.45Å; S26-P509 WeakPolarHBondContact O-CB 3.48Å
27	I	96.6	Very high	91.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.348	C	S	.	.			trans	-93.4	7.5	173.1	61.8	169.2	0	0	0	112.6	E25 P29 L30 I31 L358 H457 M458 V459 Y482	E25-I27 PolarHBondContact O-N 2.92Å; I27-P29 VanDerWaalsContact C-N 3.28Å; I27-L30 HydrophobicContact CB-CD1 4.19Å; I27-L30 HydrophobicContact CB-CG 4.49Å; I27-L30 HydrophobicContact CG2-CD1 4.17Å; I27-L30 WeakPolarHBondContact O-CA 3.47Å; I27-L30 VanDerWaalsContact O-CB 3.32Å; I27-L30 WeakPolarHBondContact O-CB 3.35Å; I27-L30 PolarHBondContact O-N 2.68Å; I27-I31 PolarHBondContact O-N 2.87Å; I27-L358 WeakPolarHBondContact CG1-O 3.5Å; I27-H457 WeakPolarHBondContact CG2-CE1 3.48Å; I27-M458 HydrophobicContact CD1-CB 4.05Å; I27-V459 HydrophobicContact CD1-CG1 3.9Å; I27-V459 HydrophobicContact CD1-CG2 3.99Å; I27-V459 HydrophobicContact CG2-CG2 4.35Å; I27-Y482 HydrophobicContact CG2-CD1 4.06Å; I27-Y482 HydrophobicContact CG2-CE1 3.52Å; I27-Y482 HydrophobicContact CG2-CE2 4.37Å
28	A	96.8	Very high	93.2	Very high	24 Å²	24	55 Å²	55	20%	0.198	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-51.1	-39.4	-179.5	0	0	0	0	0	114	S26 L30 I31 R359	S26-A28 VanDerWaalsContact C-N 3.35Å; S26-A28 WeakPolarHBondContact OG-CB 3.45Å; S26-A28 PolarHBondContact OG-N 3.45Å; A28-L30 PolarHBondContact O-N 3.32Å; A28-I31 CarbonylContact O-C 3.55Å; A28-I31 PolarHBondContact O-N 2.99Å; A28-R359 HydrophobicContact CB-CB 3.98Å; A28-R359 HydrophobicContact CB-CG 3.91Å
29	P	96.1	Very high	94.9	Very high	66 Å²	66	58.2 Å²	58.2	43%	0.429	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-67	-19.1	175.8	-21	34.7	0	0	0	114.7	I27 I31 S32 P509	I27-P29 VanDerWaalsContact C-N 3.28Å; P29-I31 VanDerWaalsContact C-N 3.28Å; P29-S32 PolarHBondContact O-OG 2.87Å; P29-P509 HydrophobicContact CB-CB 4.16Å; P29-P509 HydrophobicContact CG-CB 3.94Å
30	L	96.5	Very high	95.9	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.021	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-80.2	-16.3	173.7	-55.5	-175.1	0	0	0	111.9	I27 A28 Y482 L507 T508 P509 A538 Y539	I27-L30 HydrophobicContact CB-CD1 4.19Å; I27-L30 HydrophobicContact CB-CG 4.49Å; I27-L30 HydrophobicContact CG2-CD1 4.17Å; I27-L30 WeakPolarHBondContact O-CA 3.47Å; I27-L30 VanDerWaalsContact O-CB 3.32Å; I27-L30 WeakPolarHBondContact O-CB 3.35Å; I27-L30 PolarHBondContact O-N 2.68Å; A28-L30 PolarHBondContact O-N 3.32Å; L30-Y482 HydrophobicContact CD1-CD1 4.39Å; L30-Y482 HydrophobicContact CD1-CD2 3.66Å; L30-Y482 HydrophobicContact CD1-CE2 4.35Å; L30-Y482 HydrophobicContact CD1-CG 3.69Å; L30-L507 HydrophobicContact CD1-CB 4.46Å; L30-L507 HydrophobicContact CD2-CB 3.85Å; L30-T508 WeakPolarHBondContact CD2-O 3.47Å; L30-P509 HydrophobicContact CD2-CB 4.44Å; L30-P509 HydrophobicContact CG-CB 4.24Å; L30-A538 WeakPolarHBondContact O-CA 3.47Å; L30-Y539 HydrophobicContact CD1-CD2 4.3Å; L30-Y539 PolarHBondContact O-N 3.15Å
31	I	96.7	Very high	96.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	-114.9	53.7	-179.2	-43.6	-62.5	0	0	0	108.7	I27 A28 P29 F65 I355 L358 R359	I27-I31 PolarHBondContact O-N 2.87Å; A28-I31 CarbonylContact O-C 3.55Å; A28-I31 PolarHBondContact O-N 2.99Å; P29-I31 VanDerWaalsContact C-N 3.28Å; I31-F65 HydrophobicContact CG2-CD1 4.41Å; I31-F65 HydrophobicContact CG2-CE1 3.92Å; I31-F65 HydrophobicContact CG2-CZ 4.06Å; I31-I355 HydrophobicContact CG2-CG1 4.27Å; I31-L358 HydrophobicContact CD1-CD1 4.36Å; I31-L358 HydrophobicContact CG1-CB 4.16Å; I31-L358 HydrophobicContact CG1-CD1 4.42Å; I31-L358 HydrophobicContact CG2-CD1 4.44Å; I31-R359 PolarHBondContact O-NE 2.85Å; I31-R359 PolarHBondContact O-NH2 2.84Å
32	S	95.4	Very high	96.5	Very high	41 Å²	41	54 Å²	54	29%	0.287	32%	0.32	S	S	.	.	S	Bend	trans	-137.9	158.3	178.2	58.9	0	0	0	0	111.7	P29 V34 F65	P29-S32 PolarHBondContact O-OG 2.87Å; S32-V34 PolarHBondContact O-N 3.06Å; S32-F65 WeakPolarHBondContact O-CD2 3.08Å; S32-F65 WeakPolarHBondContact O-CE2 3.31Å
33	T	97.6	Very high	96.7	Very high	32 Å²	32	49.5 Å²	49.5	20%	0.196	29%	0.292	C	S	.	.			trans	-61.9	137	179.5	-64.8	0	0	0	0	110.5	G63 K64 F65 E66	T33-G63 WeakPolarHBondContact CA-O 3.5Å; T33-K64 HydrophobicContact CG2-CB 4.25Å; T33-K64 HydrophobicContact CG2-CG 3.9Å; T33-F65 PolarHBondContact OG1-N 2.66Å; T33-E66 WeakPolarHBondContact CB-OE1 3.44Å; T33-E66 PolarHBondContact OG1-OE1 3.07Å; T33-E66 PolarHBondContact OG1-OE2 3.26Å
34	V	96.8	Very high	96.8	Very high	13 Å²	13	51 Å²	51	8%	0.079	29%	0.289	C	S	.	.			trans	-123.2	157.8	173.6	-63.9	0	0	0	0	110.1	S32 G63 M81 F98 N536 A538	S32-V34 PolarHBondContact O-N 3.06Å; V34-G63 PolarHBondContact N-O 3.32Å; V34-M81 HydrophobicContact CG2-CE 3.76Å; V34-M81 HydrophobicContact CG2-SD 3.82Å; V34-F98 WeakPolarHBondContact O-CZ 3.48Å; V34-N536 HydrophobicContact CG1-CB 4.39Å; V34-A538 HydrophobicContact CG1-CB 4.4Å; V34-A538 HydrophobicContact CG2-CB 4.17Å
35	E	96.8	Very high	97	Very high	151 Å²	151	51.8 Å²	51.8	71%	0.706	29%	0.294	S	S	*	.			trans	-83.8	148.1	175.6	-63.5	-59	145.2	0	0	110.8
36	E	96.8	Very high	97.1	Very high	66 Å²	66	53.1 Å²	53.1	31%	0.308	30%	0.301	S	S	.	.			trans	-76	154	172	60.2	172.6	-154.8	0	0	111.8	P38 M81 R97 F98	E36-P38 WeakPolarHBondContact O-CD 3.36Å; E36-M81 HydrophobicContact CB-CE 4.29Å; E36-R97 WeakPolarHBondContact OE2-CA 3.4Å; E36-F98 HydrophobicContact CB-CD2 4Å; E36-F98 HydrophobicContact CB-CE2 4.28Å; E36-F98 HydrophobicContact CG-CD2 4.09Å; E36-F98 HydrophobicContact CG-CE2 4.49Å; E36-F98 PolarHBondContact OE2-N 2.82Å
37	T	97.9	Very high	97.1	Very high	22 Å²	22	54.3 Å²	54.3	14%	0.135	32%	0.319	C	S	.	.			trans	-122.3	78.2	174.7	-56.3	0	0	0	0	108.5	E39 I41 K95 S96	T37-E39 VanDerWaalsContact C-N 3.3Å; T37-E39 WeakPolarHBondContact CG2-O 3.41Å; T37-E39 PolarHBondContact O-N 3.37Å; T37-I41 HydrophobicContact CG2-CD1 4.07Å; T37-I41 HydrophobicContact CG2-CG1 4.14Å; T37-I41 HydrophobicContact CG2-CG2 3.75Å; T37-K95 CarbonylContact O-C 3.48Å; T37-K95 VanDerWaalsContact O-CA 3.29Å; T37-K95 WeakPolarHBondContact O-CA 3.33Å; T37-K95 WeakPolarHBondContact O-CB 3.48Å; T37-S96 CarbonylContact C-O 3.33Å; T37-S96 PolarHBondContact N-O 2.97Å; T37-S96 PolarHBondContact N-OG 3.07Å; T37-S96 PolarHBondContact O-N 2.84Å; T37-S96 VanDerWaalsContact O-O 3.07Å
38	P	96.4	Very high	97.2	Very high	41 Å²	41	59.2 Å²	59.2	27%	0.266	35%	0.349	S	S	.	.			trans	-70.8	-26.1	-167.8	25.9	-34.3	0	0	0	113.5	E36 S96 R97	E36-P38 WeakPolarHBondContact O-CD 3.36Å; P38-S96 WeakPolarHBondContact CA-O 3.33Å; P38-R97 HydrophobicContact CB-CG 4.24Å; P38-R97 PolarHBondContact O-NH2 3.17Å
39	E	97.2	Very high	97.3	Very high	130 Å²	130	58.4 Å²	58.4	61%	0.607	34%	0.342	S	S	*	.	S	Bend	trans	-91.3	136.2	174.4	-63.8	-51.5	126.9	0	0	110.6	T37 I41 R97	T37-E39 VanDerWaalsContact C-N 3.3Å; T37-E39 WeakPolarHBondContact CG2-O 3.41Å; T37-E39 PolarHBondContact O-N 3.37Å; E39-I41 PolarHBondContact O-N 3.18Å; E39-R97 IonicContact OE1-NH2 2.73Å
40	P	97.5	Very high	97.3	Very high	74 Å²	74	56.4 Å²	56.4	48%	0.481	33%	0.328	S	S	.	.			trans	-60.1	128.5	178.6	-21.7	32.5	0	0	0	112.5	Y94 K95	P40-Y94 WeakPolarHBondContact CA-O 3.25Å; P40-K95 HydrophobicContact CG-CD 4.5Å
41	I	97.9	Very high	97.3	Very high	45 Å²	45	60.3 Å²	60.3	23%	0.231	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	149	172.3	62.5	171.4	0	0	0	110.8	T37 E39 T93 Y94 V533 P534 V535	T37-I41 HydrophobicContact CG2-CD1 4.07Å; T37-I41 HydrophobicContact CG2-CG1 4.14Å; T37-I41 HydrophobicContact CG2-CG2 3.75Å; E39-I41 PolarHBondContact O-N 3.18Å; I41-T93 CarbonylContact O-C 3.58Å; I41-T93 VanDerWaalsContact O-CA 3.26Å; I41-T93 WeakPolarHBondContact O-CA 3.5Å; I41-T93 WeakPolarHBondContact O-CB 3.29Å; I41-Y94 HydrophobicContact CD1-CD1 3.89Å; I41-Y94 HydrophobicContact CG1-CD1 3.96Å; I41-Y94 WeakPolarHBondContact CG1-O 3.42Å; I41-Y94 PolarHBondContact N-O 2.83Å; I41-Y94 PolarHBondContact O-N 3.49Å; I41-V533 HydrophobicContact CD1-CG1 4.19Å; I41-P534 HydrophobicContact CD1-CG 3.86Å; I41-V535 HydrophobicContact CD1-CG1 3.98Å
42	T	97.4	Very high	97.3	Very high	114 Å²	114	64.4 Å²	64.4	70%	0.699	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	142.7	174	52.8	0	0	0	0	110.9
43	T	97.9	Very high	97.4	Very high	16 Å²	16	62.5 Å²	62.5	10%	0.098	36%	0.358	C	S	.	.			trans	-99.4	164.4	172.2	66.4	0	0	0	0	110.9	V92 A531 N532 V533	T43-V92 WeakPolarHBondContact CB-O 3.29Å; T43-V92 HydrophobicContact CG2-CB 4.39Å; T43-V92 HydrophobicContact CG2-CG1 4.21Å; T43-V92 WeakPolarHBondContact CG2-O 3.28Å; T43-V92 PolarHBondContact N-O 2.98Å; T43-V92 WeakPolarHBondContact OG1-CB 3.2Å; T43-V92 PolarHBondContact OG1-O 2.94Å; T43-A531 HydrophobicContact CG2-CB 4.37Å; T43-A531 WeakPolarHBondContact OG1-CB 3.42Å; T43-N532 VanDerWaalsContact CA-O 3.29Å; T43-N532 WeakPolarHBondContact CA-O 3.44Å; T43-N532 WeakPolarHBondContact CB-O 3.4Å; T43-V533 HydrophobicContact CG2-CG2 3.97Å
44	T	98	Very high	97.4	Very high	95 Å²	95	63.3 Å²	63.3	58%	0.583	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	112.4	170.2	-56.1	0	0	0	0	109.4	N532	T44-N532 PolarHBondContact N-O 3.3Å; T44-N532 PolarHBondContact O-N 3.15Å; T44-N532 PolarHBondContact O-ND2 2.81Å
45	V	98.2	Very high	97.4	Very high	42 Å²	42	62.7 Å²	62.7	26%	0.255	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	131.5	-179.5	178.6	0	0	0	0	110.7	I49 R530 A531	V45-I49 HydrophobicContact CG1-CD1 3.96Å; V45-I49 HydrophobicContact CG1-CG1 4.12Å; V45-I49 HydrophobicContact CG2-CD1 4.18Å; V45-R530 CarbonylContact C-O 3.54Å; V45-R530 VanDerWaalsContact CA-O 3.31Å; V45-R530 WeakPolarHBondContact CA-O 3.12Å; V45-A531 HydrophobicContact CG2-CB 4.28Å
46	E	98.1	Very high	97.5	Very high	102 Å²	102	55.5 Å²	55.5	48%	0.477	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.6	170.8	-68	172.2	-162.7	0	0	109.2	G529 R530 N532	E46-G529 CarbonylContact O-C 3.5Å; E46-G529 WeakPolarHBondContact O-CA 3.46Å; E46-R530 HydrophobicContact CB-CG 3.97Å; E46-R530 PolarHBondContact N-O 3.09Å; E46-R530 PolarHBondContact O-N 3.08Å; E46-N532 VanDerWaalsContact CD-ND2 3.31Å; E46-N532 PolarHBondContact OE1-ND2 3.29Å
47	G	97.7	Very high	97.6	Very high	63 Å²	63	52.4 Å²	52.4	65%	0.649	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	75.2	-146.6	-172.3	0	0	0	0	0	112.4
48	T	97.8	Very high	97.6	Very high	103 Å²	103	51.3 Å²	51.3	63%	0.632	30%	0.303	S	S	*	.			trans	-133.6	108.2	-178	-60.9	0	0	0	0	110.5	P50 L528	T48-P50 WeakPolarHBondContact O-CD 3.42Å; T48-L528 PolarHBondContact N-O 3.07Å; T48-L528 CarbonylContact O-C 3.46Å; T48-L528 WeakPolarHBondContact O-CB 3.31Å
49	I	98.2	Very high	97.7	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.036	29%	0.292	C	S	.	.			trans	-81.1	122	168.9	-62	177.1	0	0	0	107.8	V45 S51 I53 I87 G90 V92 V519 A531	V45-I49 HydrophobicContact CG1-CD1 3.96Å; V45-I49 HydrophobicContact CG1-CG1 4.12Å; V45-I49 HydrophobicContact CG2-CD1 4.18Å; I49-S51 PolarHBondContact O-N 3.19Å; I49-I53 HydrophobicContact CG2-CD1 4.11Å; I49-I87 HydrophobicContact CG2-CG2 3.94Å; I49-G90 WeakPolarHBondContact O-CA 3.47Å; I49-V92 HydrophobicContact CD1-CG2 3.54Å; I49-V519 HydrophobicContact CD1-CG2 4.29Å; I49-V519 HydrophobicContact CG1-CG2 4.01Å; I49-V519 HydrophobicContact CG2-CG2 4.34Å; I49-A531 HydrophobicContact CD1-CB 4.19Å
50	P	97.6	Very high	97.8	Very high	23 Å²	23	43.7 Å²	43.7	15%	0.149	26%	0.264	C	S	.	.			trans	-55.9	130.5	-177.5	-26.3	32.9	0	0	0	113.2	T48 W52 I53 V501 L528	T48-P50 WeakPolarHBondContact O-CD 3.42Å; P50-W52 HydrophobicContact CB-CD2 4.3Å; P50-W52 HydrophobicContact CB-CG 4.24Å; P50-W52 HydrophobicContact CB-CZ2 4.32Å; P50-W52 PolarHBondContact O-N 2.9Å; P50-W52 VanDerWaalsContact O-N 3.16Å; P50-I53 HydrophobicContact CB-CD1 4.07Å; P50-I53 HydrophobicContact CB-CG1 4.25Å; P50-I53 HydrophobicContact CG-CD1 4.06Å; P50-I53 PolarHBondContact O-N 3.38Å; P50-I53 VanDerWaalsContact O-N 3.1Å; P50-V501 HydrophobicContact CG-CG1 4.19Å; P50-L528 HydrophobicContact CG-CD1 3.77Å
51	S	96.5	Very high	97.8	Very high	87 Å²	87	40.2 Å²	40.2	61%	0.608	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.7	-174.9	60.2	0	0	0	0	114.1	I49 I53	I49-S51 PolarHBondContact O-N 3.19Å; S51-I53 VanDerWaalsContact C-N 3.27Å
52	W	96.5	Very high	97.8	Very high	85 Å²	85	38.2 Å²	38.2	32%	0.322	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-16	176.6	61.1	-104.9	0	0	0	113	P50 N54 V489 P490 P492 V501	P50-W52 HydrophobicContact CB-CD2 4.3Å; P50-W52 HydrophobicContact CB-CG 4.24Å; P50-W52 HydrophobicContact CB-CZ2 4.32Å; P50-W52 PolarHBondContact O-N 2.9Å; P50-W52 VanDerWaalsContact O-N 3.16Å; W52-N54 PolarHBondContact O-N 2.87Å; W52-N54 VanDerWaalsContact O-N 3.13Å; W52-V489 HydrophobicContact CZ3-CG1 4.1Å; W52-P490 VanDerWaalsContact CZ3-O 3.29Å; W52-P490 WeakPolarHBondContact CZ3-O 3.41Å; W52-P492 HydrophobicContact CB-CG 4.19Å; W52-P492 HydrophobicContact CE3-CG 4.29Å; W52-V501 HydrophobicContact CH2-CB 4.49Å; W52-V501 HydrophobicContact CH2-CG1 4.05Å; W52-V501 HydrophobicContact CH2-CG2 3.95Å; W52-V501 HydrophobicContact CZ2-CG1 3.82Å
53	I	97.3	Very high	97.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	20%	0.197	C	C	.	.			trans	-73.1	108	173.8	-55.2	165.5	0	0	0	107.6	I49 P50 S51 I87 V501 V519 F545	I49-I53 HydrophobicContact CG2-CD1 4.11Å; P50-I53 HydrophobicContact CB-CD1 4.07Å; P50-I53 HydrophobicContact CB-CG1 4.25Å; P50-I53 HydrophobicContact CG-CD1 4.06Å; P50-I53 PolarHBondContact O-N 3.38Å; P50-I53 VanDerWaalsContact O-N 3.1Å; S51-I53 VanDerWaalsContact C-N 3.27Å; I53-I87 HydrophobicContact CB-CG2 4.05Å; I53-I87 HydrophobicContact CG2-CB 4.04Å; I53-I87 HydrophobicContact CG2-CD1 3.9Å; I53-I87 HydrophobicContact CG2-CG2 3.74Å; I53-V501 HydrophobicContact CD1-CB 4.48Å; I53-V501 HydrophobicContact CD1-CG1 4.17Å; I53-V501 HydrophobicContact CD1-CG2 3.69Å; I53-V501 HydrophobicContact CG1-CG2 4.23Å; I53-V519 HydrophobicContact CD1-CG1 4.14Å; I53-F545 HydrophobicContact CG2-CE2 4Å; I53-F545 HydrophobicContact CG2-CZ 3.84Å
54	N	96.9	Very high	97.8	Very high	50 Å²	50	34 Å²	34	27%	0.267	20%	0.201	S	C	.	.			trans	-131.1	108.4	-179.2	-174.4	41	0	0	0	109.6	W52 I87 S548 P549	W52-N54 PolarHBondContact O-N 2.87Å; W52-N54 VanDerWaalsContact O-N 3.13Å; N54-I87 WeakPolarHBondContact CA-O 3.48Å; N54-S548 PolarHBondContact O-N 3.48Å; N54-P549 PolarHBondContact ND2-O 3.14Å
55	G	97.6	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160	-167.2	-177.9	0	0	0	0	0	114.4	I87 S546	G55-I87 PolarHBondContact N-O 2.81Å; G55-I87 PolarHBondContact O-N 2.82Å; G55-S546 CarbonylContact C-O 3.51Å; G55-S546 VanDerWaalsContact CA-O 3.29Å; G55-S546 WeakPolarHBondContact CA-O 3.22Å
56	N	98.3	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.2	179.5	-58.3	-58.7	0	0	0	109.7	L58 Q84 K86 E173 S546	N56-L58 HydrophobicContact CB-CD2 4Å; N56-L58 HydrophobicContact CB-CG 4.31Å; N56-Q84 HydrophobicContact CB-CG 4.13Å; N56-K86 WeakPolarHBondContact OD1-CB 3.23Å; N56-K86 WeakPolarHBondContact OD1-CG 3.36Å; N56-E173 VanDerWaalsContact ND2-CD 3.34Å; N56-E173 PolarHBondContact ND2-OE1 2.95Å; N56-S546 PolarHBondContact N-O 2.77Å; N56-S546 PolarHBondContact O-N 2.8Å
57	F	98.6	Very high	97.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	116.1	163.9	177.9	-136	0	0	0	109.1	R59 Q84 F85 I87 V487 L503 V505 L517 F545	F57-R59 HydrophobicContact CE1-CG 4.08Å; F57-R59 HydrophobicContact CE2-CG 4.17Å; F57-R59 HydrophobicContact CZ-CG 3.8Å; F57-Q84 CarbonylContact O-C 3.59Å; F57-Q84 WeakPolarHBondContact O-CA 3.3Å; F57-F85 HydrophobicContact CB-CB 4.24Å; F57-F85 HydrophobicContact CD1-CD2 4.11Å; F57-F85 HydrophobicContact CD1-CG 4.49Å; F57-F85 PolarHBondContact N-O 3.11Å; F57-F85 PolarHBondContact O-N 3.47Å; F57-I87 HydrophobicContact CB-CD1 4.5Å; F57-V487 HydrophobicContact CE2-CB 3.78Å; F57-V487 HydrophobicContact CE2-CG1 4.35Å; F57-V487 HydrophobicContact CE2-CG2 3.66Å; F57-V487 HydrophobicContact CZ-CB 4.42Å; F57-V487 HydrophobicContact CZ-CG2 4.27Å; F57-L503 HydrophobicContact CB-CD1 3.98Å; F57-L503 HydrophobicContact CD1-CB 4.17Å; F57-L503 HydrophobicContact CD1-CD1 4.5Å; F57-L503 HydrophobicContact CD2-CB 4.42Å; F57-L503 HydrophobicContact CD2-CD1 4.34Å; F57-L503 HydrophobicContact CE1-CB 4.07Å; F57-L503 HydrophobicContact CE2-CB 4.37Å; F57-L503 HydrophobicContact CG-CB 4.32Å; F57-L503 HydrophobicContact CG-CD1 4.04Å; F57-L503 HydrophobicContact CZ-CB 4.17Å; F57-V505 HydrophobicContact CE1-CG2 3.91Å; F57-L517 HydrophobicContact CD1-CD1 3.53Å; F57-L517 HydrophobicContact CE1-CD1 3.66Å; F57-F545 HydrophobicContact CB-CD2 4.14Å
58	L	98.6	Very high	97.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.8	-174	-56.2	173.2	0	0	0	109.4	N56 H83 Q84 F151 P172 L175 G543 A544	N56-L58 HydrophobicContact CB-CD2 4Å; N56-L58 HydrophobicContact CB-CG 4.31Å; L58-H83 VanDerWaalsContact CA-O 3.31Å; L58-H83 WeakPolarHBondContact CA-O 3.25Å; L58-Q84 HydrophobicContact CD2-CB 4.04Å; L58-Q84 HydrophobicContact CD2-CG 3.99Å; L58-F151 HydrophobicContact CB-CD1 4.44Å; L58-F151 HydrophobicContact CB-CD2 4.03Å; L58-F151 HydrophobicContact CB-CE1 4.2Å; L58-F151 HydrophobicContact CB-CE2 3.78Å; L58-F151 HydrophobicContact CB-CG 4.35Å; L58-F151 HydrophobicContact CB-CZ 3.87Å; L58-F151 HydrophobicContact CD1-CD1 4.03Å; L58-F151 HydrophobicContact CD1-CE1 3.89Å; L58-F151 HydrophobicContact CD1-CZ 4.36Å; L58-P172 HydrophobicContact CD1-CB 3.67Å; L58-L175 HydrophobicContact CD2-CD2 3.94Å; L58-G543 CarbonylContact O-C 3.53Å; L58-G543 WeakPolarHBondContact O-CA 3.48Å; L58-A544 PolarHBondContact N-O 2.86Å; L58-A544 PolarHBondContact O-N 3.37Å
59	R	98.1	Very high	97.4	Very high	11 Å²	11	26.4 Å²	26.4	4%	0.042	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	147.9	172.6	-65.9	-162	63	85.6	17.2	111.7	F57 H83 S484 E485 V505 F541	F57-R59 HydrophobicContact CE1-CG 4.08Å; F57-R59 HydrophobicContact CE2-CG 4.17Å; F57-R59 HydrophobicContact CZ-CG 3.8Å; R59-H83 HydrophobicContact CB-CB 4.21Å; R59-H83 PolarHBondContact N-O 2.87Å; R59-H83 PolarHBondContact O-N 3.42Å; R59-S484 PolarHBondContact NE-OG 3.17Å; R59-S484 PolarHBondContact NH1-OG 3.22Å; R59-E485 PolarHBondContact NH1-O 3.36Å; R59-E485 VanDerWaalsContact NH1-O 3.11Å; R59-V505 VanDerWaalsContact CD-CG2 3.44Å; R59-V505 HydrophobicContact CG-CG2 4.43Å; R59-F541 VanDerWaalsContact NH2-C 3.29Å; R59-F541 PolarHBondContact NH2-O 3.47Å
60	N	98.3	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.2	176.7	-163.5	9.3	0	0	0	110.7	M81 L82 A147 F151 F541 H542	N60-M81 PolarHBondContact OD1-O 2.91Å; N60-L82 HydrophobicContact CB-CD2 4.31Å; N60-L82 WeakPolarHBondContact OD1-CD2 3.43Å; N60-A147 PolarHBondContact ND2-O 3.13Å; N60-F151 HydrophobicContact CB-CD2 3.98Å; N60-F151 HydrophobicContact CB-CE2 3.84Å; N60-F541 PolarHBondContact O-N 2.92Å; N60-H542 PolarHBondContact N-O 2.9Å
61	G	97.8	Very high	97.2	Very high	1 Å²	1	31 Å²	31	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.3	175.3	-178.6	0	0	0	0	0	112.8	A80 M81 S148	G61-A80 CarbonylContact O-C 3.56Å; G61-A80 WeakPolarHBondContact O-CA 3.23Å; G61-M81 PolarHBondContact N-O 2.83Å; G61-M81 PolarHBondContact O-N 2.99Å; G61-S148 VanDerWaalsContact CA-O 3.24Å; G61-S148 WeakPolarHBondContact CA-O 3.34Å; G61-S148 PolarHBondContact N-O 3.45Å
62	P	98.1	Very high	97.3	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.013	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	126.2	174.4	29.2	-33	0	0	0	110.6	F65 A538 F541	P62-F65 HydrophobicContact CB-CE1 3.86Å; P62-F65 HydrophobicContact CB-CZ 3.75Å; P62-F65 HydrophobicContact CG-CE1 4.12Å; P62-F65 HydrophobicContact CG-CZ 3.87Å; P62-A538 VanDerWaalsContact O-CB 3.24Å; P62-A538 WeakPolarHBondContact O-CB 3.3Å; P62-F541 VanDerWaalsContact CD-CE2 3.44Å; P62-F541 HydrophobicContact CG-CE2 4.15Å; P62-F541 HydrophobicContact CG-CZ 4.06Å
63	G	97.8	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-11	177.5	0	0	0	0	0	115	T33 V34 M79	T33-G63 WeakPolarHBondContact CA-O 3.5Å; V34-G63 PolarHBondContact N-O 3.32Å; G63-M79 PolarHBondContact N-O 2.67Å
64	K	98.3	Very high	97.3	Very high	42 Å²	42	27.2 Å²	27.2	18%	0.183	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	124.4	178.4	-172.1	173.4	-173.5	74.2	0	110.7	T33 E66 F67 G78 M79 F98 Y104	T33-K64 HydrophobicContact CG2-CB 4.25Å; T33-K64 HydrophobicContact CG2-CG 3.9Å; K64-E66 VanDerWaalsContact CE-O 3.24Å; K64-E66 WeakPolarHBondContact CE-O 3.46Å; K64-E66 WeakPolarHBondContact CG-O 3.5Å; K64-F67 HydrophobicContact CD-CD1 4.43Å; K64-F67 HydrophobicContact CD-CE1 3.81Å; K64-F67 HydrophobicContact CD-CE2 4.12Å; K64-F67 HydrophobicContact CD-CZ 3.64Å; K64-F67 HydrophobicContact CG-CE2 4.49Å; K64-F67 HydrophobicContact CG-CZ 4.47Å; K64-G78 CarbonylContact O-C 3.52Å; K64-G78 VanDerWaalsContact O-CA 3.25Å; K64-G78 WeakPolarHBondContact O-CA 3.39Å; K64-M79 HydrophobicContact CB-CB 4.16Å; K64-M79 HydrophobicContact CB-CG 4.45Å; K64-M79 PolarHBondContact O-N 2.86Å; K64-F98 HydrophobicContact CB-CE1 3.55Å; K64-F98 HydrophobicContact CB-CZ 3.73Å; K64-F98 HydrophobicContact CD-CZ 4.38Å; K64-Y104 HydrophobicContact CD-CE2 4.04Å
65	F	97.9	Very high	97.3	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	13%	0.134	C	C	.	.			trans	-110.6	-1.4	-170.4	-65.6	-83.7	0	0	0	113.9	I31 S32 T33 P62 Y72 I355 A538	I31-F65 HydrophobicContact CG2-CD1 4.41Å; I31-F65 HydrophobicContact CG2-CE1 3.92Å; I31-F65 HydrophobicContact CG2-CZ 4.06Å; S32-F65 WeakPolarHBondContact O-CD2 3.08Å; S32-F65 WeakPolarHBondContact O-CE2 3.31Å; T33-F65 PolarHBondContact OG1-N 2.66Å; P62-F65 HydrophobicContact CB-CE1 3.86Å; P62-F65 HydrophobicContact CB-CZ 3.75Å; P62-F65 HydrophobicContact CG-CE1 4.12Å; P62-F65 HydrophobicContact CG-CZ 3.87Å; F65-Y72 WeakPolarHBondContact O-CD2 3.39Å; F65-Y72 PolarHBondContact O-N 3.18Å; F65-I355 HydrophobicContact CD1-CD1 3.68Å; F65-I355 HydrophobicContact CD1-CG1 4.5Å; F65-I355 HydrophobicContact CE1-CD1 4.3Å; F65-A538 HydrophobicContact CE2-CB 4.06Å
66	E	97.8	Very high	97.2	Very high	48 Å²	48	27.7 Å²	27.7	22%	0.224	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	158.5	177.8	64.2	-76.6	157.1	0	0	113.2	T33 K64 T70 H71	T33-E66 WeakPolarHBondContact CB-OE1 3.44Å; T33-E66 PolarHBondContact OG1-OE1 3.07Å; T33-E66 PolarHBondContact OG1-OE2 3.26Å; K64-E66 VanDerWaalsContact CE-O 3.24Å; K64-E66 WeakPolarHBondContact CE-O 3.46Å; K64-E66 WeakPolarHBondContact CG-O 3.5Å; E66-T70 VanDerWaalsContact CA-O 3.25Å; E66-T70 WeakPolarHBondContact CA-O 3.5Å; E66-T70 VanDerWaalsContact CB-O 3.27Å; E66-T70 WeakPolarHBondContact CB-O 3.36Å; E66-H71 HydrophobicContact CB-CB 4.5Å; E66-H71 VanDerWaalsContact CB-ND1 3.32Å; E66-H71 WeakPolarHBondContact CB-ND1 3.4Å
67	F	97.1	Very high	97.1	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.013	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.7	167.2	-72.1	-91	0	0	0	108.3	K64 N69 T70 Y72 M79 Y104 N107 S108 D111 I113	K64-F67 HydrophobicContact CD-CD1 4.43Å; K64-F67 HydrophobicContact CD-CE1 3.81Å; K64-F67 HydrophobicContact CD-CE2 4.12Å; K64-F67 HydrophobicContact CD-CZ 3.64Å; K64-F67 HydrophobicContact CG-CE2 4.49Å; K64-F67 HydrophobicContact CG-CZ 4.47Å; F67-N69 PolarHBondContact O-N 2.73Å; F67-T70 PolarHBondContact N-O 2.73Å; F67-T70 PolarHBondContact O-N 2.66Å; F67-T70 PolarHBondContact O-OG1 3.04Å; F67-Y72 HydrophobicContact CD2-CE2 4.22Å; F67-Y72 HydrophobicContact CE2-CE2 4.11Å; F67-Y72 WeakPolarHBondContact CE2-OH 3.41Å; F67-M79 HydrophobicContact CE2-CG 3.55Å; F67-M79 HydrophobicContact CE2-SD 4.08Å; F67-M79 HydrophobicContact CZ-CG 3.77Å; F67-M79 HydrophobicContact CZ-SD 4.3Å; F67-Y104 HydrophobicContact CZ-CD2 4.04Å; F67-Y104 HydrophobicContact CZ-CE2 4.19Å; F67-N107 HydrophobicContact CD1-CB 3.85Å; F67-N107 WeakPolarHBondContact CD1-O 3.32Å; F67-N107 HydrophobicContact CD2-CB 3.69Å; F67-N107 HydrophobicContact CE1-CB 3.7Å; F67-N107 HydrophobicContact CE2-CB 3.52Å; F67-N107 HydrophobicContact CG-CB 3.84Å; F67-N107 HydrophobicContact CZ-CB 3.51Å; F67-S108 WeakPolarHBondContact CE1-OG 3.42Å; F67-D111 CarbonylContact C-O 3.52Å; F67-I113 HydrophobicContact CD2-CG1 4.25Å
68	G	94.9	Very high	97.1	Very high	30 Å²	30	27.7 Å²	27.7	31%	0.309	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	-123.3	-168.7	0	0	0	0	0	112	D111	G68-D111 WeakPolarHBondContact CA-O 3.41Å; G68-D111 WeakPolarHBondContact CA-OD1 3.33Å; G68-D111 WeakPolarHBondContact CA-OD2 3.28Å; G68-D111 PolarHBondContact N-O 2.99Å; G68-D111 PolarHBondContact N-OD1 3.24Å
69	N	93.9	Very high	97.1	Very high	163 Å²	163	27.7 Å²	27.7	87%	0.872	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	12.4	178.4	-62.8	-40.7	0	0	0	113.9	F67	F67-N69 PolarHBondContact O-N 2.73Å
70	T	95	Very high	97.1	Very high	24 Å²	24	27.2 Å²	27.2	15%	0.147	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.2	178.9	52.2	0	0	0	0	111.3	E66 F67 R112 I113	E66-T70 VanDerWaalsContact CA-O 3.25Å; E66-T70 WeakPolarHBondContact CA-O 3.5Å; E66-T70 VanDerWaalsContact CB-O 3.27Å; E66-T70 WeakPolarHBondContact CB-O 3.36Å; F67-T70 PolarHBondContact N-O 2.73Å; F67-T70 PolarHBondContact O-N 2.66Å; F67-T70 PolarHBondContact O-OG1 3.04Å; T70-R112 HydrophobicContact CG2-CG 3.59Å; T70-R112 WeakPolarHBondContact OG1-CA 3.35Å; T70-R112 WeakPolarHBondContact OG1-CG 3.48Å; T70-I113 PolarHBondContact OG1-N 3.19Å
71	H	96.5	Very high	97.1	Very high	103 Å²	103	27.2 Å²	27.2	48%	0.477	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	148.2	-175.3	-57.6	-83.8	0	0	0	111.2	E66	E66-H71 HydrophobicContact CB-CB 4.5Å; E66-H71 VanDerWaalsContact CB-ND1 3.32Å; E66-H71 WeakPolarHBondContact CB-ND1 3.4Å
72	Y	97.4	Very high	97.2	Very high	6 Å²	6	27.2 Å²	27.2	2%	0.024	14%	0.143	C	C	.	.			trans	-74.8	150.8	167.6	-68.3	-62.6	0	0	0	111.3	F65 F67 D77 M79 N107 I113 E117 T120 I355	F65-Y72 WeakPolarHBondContact O-CD2 3.39Å; F65-Y72 PolarHBondContact O-N 3.18Å; F67-Y72 HydrophobicContact CD2-CE2 4.22Å; F67-Y72 HydrophobicContact CE2-CE2 4.11Å; F67-Y72 WeakPolarHBondContact CE2-OH 3.41Å; Y72-D77 HydrophobicContact CD1-CB 3.48Å; Y72-D77 VanDerWaalsContact CD1-CB 3.48Å; Y72-D77 HydrophobicContact CE1-CB 4.23Å; Y72-D77 HydrophobicContact CG-CB 3.72Å; Y72-M79 HydrophobicContact CE1-CE 4.42Å; Y72-M79 HydrophobicContact CE2-CE 4.23Å; Y72-M79 HydrophobicContact CE2-CG 4.22Å; Y72-M79 WeakPolarHBondContact OH-CE 3.39Å; Y72-N107 PolarHBondContact OH-ND2 3.39Å; Y72-I113 HydrophobicContact CD1-CD1 3.61Å; Y72-I113 HydrophobicContact CD1-CG1 4.37Å; Y72-I113 HydrophobicContact CD2-CD1 4.33Å; Y72-I113 HydrophobicContact CE1-CD1 3.58Å; Y72-I113 HydrophobicContact CE1-CG1 3.83Å; Y72-I113 HydrophobicContact CE1-CG2 3.88Å; Y72-I113 HydrophobicContact CE2-CD1 4.3Å; Y72-I113 HydrophobicContact CE2-CG1 4.43Å; Y72-I113 HydrophobicContact CG-CD1 4Å; Y72-E117 HydrophobicContact CD1-CG 4.3Å; Y72-E117 HydrophobicContact CE1-CB 4.44Å; Y72-E117 HydrophobicContact CE1-CG 3.66Å; Y72-T120 WeakPolarHBondContact CA-OG1 3.21Å; Y72-T120 HydrophobicContact CD1-CG2 4.01Å; Y72-I355 WeakPolarHBondContact O-CD1 3.44Å
73	N	96.7	Very high	97.2	Very high	87 Å²	87	27.7 Å²	27.7	47%	0.465	15%	0.145	S	C	.	.	S	Bend	trans	-104	-22.7	-177.2	-62.4	-63.6	0	0	0	113.4	T120 L354 I355	N73-T120 PolarHBondContact N-OG1 2.9Å; N73-T120 PolarHBondContact ND2-OG1 3.01Å; N73-L354 CarbonylContact O-C 3.56Å; N73-L354 WeakPolarHBondContact O-CA 3.13Å; N73-I355 PolarHBondContact O-N 3.5Å
74	H	97.3	Very high	97.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-124	145.6	-176.9	-166.2	-78	0	0	0	111	F76 D77 F118 I350 L354 I355	H74-F76 VanDerWaalsContact C-N 3.25Å; H74-F76 AromaticContact CE1-CD1 3.84Å; H74-F76 AromaticContact CE1-CD2 3.15Å; H74-F76 WeakPolarHBondContact CE1-CD2 3.33Å; H74-F76 AromaticContact CE1-CE2 3.39Å; H74-F76 WeakPolarHBondContact CE1-CE2 3.43Å; H74-F76 AromaticContact CE1-CG 3.39Å; H74-F76 WeakPolarHBondContact CE1-CG 3.1Å; H74-F76 AromaticContact CE1-CZ 3.83Å; H74-F76 WeakPolarHBondContact ND1-CB 3.3Å; H74-F76 AromaticContact ND1-CD2 3.51Å; H74-F76 AromaticContact ND1-CG 3.38Å; H74-F76 WeakPolarHBondContact ND1-CG 3.32Å; H74-F76 PolarHBondContact ND1-N 2.95Å; H74-F76 VanDerWaalsContact ND1-N 3.2Å; H74-F76 PolarHBondContact O-N 2.91Å; H74-D77 WeakPolarHBondContact CB-OD2 3.46Å; H74-D77 PolarHBondContact N-OD2 2.96Å; H74-D77 VanDerWaalsContact O-CB 3.3Å; H74-D77 WeakPolarHBondContact O-CB 3.16Å; H74-D77 PolarHBondContact O-N 3.21Å; H74-F118 HydrophobicContact CB-CD1 4.49Å; H74-F118 AromaticContact CE1-CE1 3.83Å; H74-F118 AromaticContact CG-CD1 3.86Å; H74-F118 AromaticContact ND1-CD1 3.7Å; H74-F118 AromaticContact ND1-CE1 3.99Å; H74-F118 AromaticContact NE2-CE1 3.81Å; H74-I350 PolarHBondContact CD2-O 3.49Å; H74-I350 PolarHBondContact NE2-O 2.89Å; H74-L354 HydrophobicContact CB-CD2 4.47Å; H74-I355 WeakPolarHBondContact O-CD1 3.36Å
75	W	97	Very high	97.2	Very high	7 Å²	7	25.8 Å²	25.8	3%	0.027	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-57.9	-39.7	-176.4	-175.1	23.8	0	0	0	112.5	D77 G78 Y353 L358 V459 Y539 F541	W75-D77 PolarHBondContact O-N 3.1Å; W75-D77 VanDerWaalsContact O-N 3.16Å; W75-G78 PolarHBondContact O-N 3.45Å; W75-Y353 WeakPolarHBondContact CB-O 3.48Å; W75-Y353 HydrophobicContact CD2-CD1 4.49Å; W75-Y353 AromaticContact CE3-CD1 3.38Å; W75-Y353 HydrophobicContact CE3-CD1 3.38Å; W75-Y353 AromaticContact CE3-CE1 3.89Å; W75-Y353 HydrophobicContact CE3-CE1 3.89Å; W75-Y353 HydrophobicContact CE3-CG 4.02Å; W75-Y353 AromaticContact CZ3-CD1 3.7Å; W75-Y353 HydrophobicContact CZ3-CD1 3.7Å; W75-Y353 AromaticContact CZ3-CE1 3.69Å; W75-Y353 HydrophobicContact CZ3-CE1 3.69Å; W75-Y353 PolarHBondContact N-O 2.95Å; W75-L358 HydrophobicContact CB-CD1 3.72Å; W75-L358 HydrophobicContact CD2-CD1 4.02Å; W75-L358 HydrophobicContact CE3-CD1 4.24Å; W75-L358 HydrophobicContact CG-CD1 3.82Å; W75-V459 HydrophobicContact CH2-CG1 4.25Å; W75-Y539 HydrophobicContact CH2-CD1 4Å; W75-Y539 HydrophobicContact CH2-CE1 4.24Å; W75-Y539 AromaticContact CZ2-CD1 3.66Å; W75-Y539 HydrophobicContact CZ2-CD1 3.66Å; W75-Y539 HydrophobicContact CZ2-CE1 4.33Å; W75-Y539 HydrophobicContact CZ2-CG 4.48Å; W75-Y539 PolarHBondContact NE1-O 2.95Å; W75-F541 AromaticContact CD2-CE1 3.58Å; W75-F541 HydrophobicContact CD2-CE1 3.58Å; W75-F541 AromaticContact CD2-CZ 3.92Å; W75-F541 HydrophobicContact CD2-CZ 3.92Å; W75-F541 AromaticContact CE2-CE1 3.4Å; W75-F541 VanDerWaalsContact CE2-CE1 3.4Å; W75-F541 AromaticContact CE2-CZ 3.82Å; W75-F541 AromaticContact CE3-CE1 3.66Å; W75-F541 HydrophobicContact CE3-CE1 3.66Å; W75-F541 HydrophobicContact CE3-CZ 4.35Å; W75-F541 HydrophobicContact CG-CE1 4.35Å; W75-F541 HydrophobicContact CG-CZ 4.22Å; W75-F541 AromaticContact CH2-CD1 3.78Å; W75-F541 HydrophobicContact CH2-CD1 3.78Å; W75-F541 AromaticContact CH2-CE1 3.45Å; W75-F541 HydrophobicContact CH2-CE1 3.45Å; W75-F541 VanDerWaalsContact CH2-CE1 3.45Å; W75-F541 AromaticContact CZ2-CD1 3.81Å; W75-F541 HydrophobicContact CZ2-CD1 3.81Å; W75-F541 AromaticContact CZ2-CE1 3.32Å; W75-F541 HydrophobicContact CZ2-CE1 3.32Å; W75-F541 HydrophobicContact CZ2-CZ 4.14Å; W75-F541 HydrophobicContact CZ3-CD1 4.23Å; W75-F541 AromaticContact CZ3-CE1 3.62Å; W75-F541 HydrophobicContact CZ3-CE1 3.62Å
76	F	95.5	Very high	97.3	Very high	53 Å²	53	28.8 Å²	28.8	23%	0.232	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-64.6	-12.8	176.8	-52	-18.8	0	0	0	114.9	H74 F118 I350 F541	H74-F76 VanDerWaalsContact C-N 3.25Å; H74-F76 AromaticContact CE1-CD1 3.84Å; H74-F76 AromaticContact CE1-CD2 3.15Å; H74-F76 WeakPolarHBondContact CE1-CD2 3.33Å; H74-F76 AromaticContact CE1-CE2 3.39Å; H74-F76 WeakPolarHBondContact CE1-CE2 3.43Å; H74-F76 AromaticContact CE1-CG 3.39Å; H74-F76 WeakPolarHBondContact CE1-CG 3.1Å; H74-F76 AromaticContact CE1-CZ 3.83Å; H74-F76 WeakPolarHBondContact ND1-CB 3.3Å; H74-F76 AromaticContact ND1-CD2 3.51Å; H74-F76 AromaticContact ND1-CG 3.38Å; H74-F76 WeakPolarHBondContact ND1-CG 3.32Å; H74-F76 PolarHBondContact ND1-N 2.95Å; H74-F76 VanDerWaalsContact ND1-N 3.2Å; H74-F76 PolarHBondContact O-N 2.91Å; F76-F118 HydrophobicContact CB-CD1 4.35Å; F76-F118 AromaticContact CD2-CD1 3.86Å; F76-F118 HydrophobicContact CD2-CD1 3.86Å; F76-F118 AromaticContact CD2-CE1 3.86Å; F76-F118 HydrophobicContact CD2-CE1 3.86Å; F76-F118 HydrophobicContact CE2-CE1 4.34Å; F76-I350 HydrophobicContact CE2-CD1 4.03Å; F76-F541 AromaticContact CD1-CE1 3.98Å; F76-F541 HydrophobicContact CD1-CE1 3.98Å; F76-F541 HydrophobicContact CD1-CE2 4.37Å; F76-F541 AromaticContact CD1-CZ 3.59Å; F76-F541 HydrophobicContact CD1-CZ 3.59Å; F76-F541 AromaticContact CE1-CE1 4Å; F76-F541 HydrophobicContact CE1-CE1 4Å; F76-F541 HydrophobicContact CE1-CZ 4.09Å
77	D	97.3	Very high	97.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-85.3	-19.8	-177	-60.4	-16.7	0	0	0	113	Y72 H74 W75 M79 E117 F118 G119 T120 N146	Y72-D77 HydrophobicContact CD1-CB 3.48Å; Y72-D77 VanDerWaalsContact CD1-CB 3.48Å; Y72-D77 HydrophobicContact CE1-CB 4.23Å; Y72-D77 HydrophobicContact CG-CB 3.72Å; H74-D77 WeakPolarHBondContact CB-OD2 3.46Å; H74-D77 PolarHBondContact N-OD2 2.96Å; H74-D77 VanDerWaalsContact O-CB 3.3Å; H74-D77 WeakPolarHBondContact O-CB 3.16Å; H74-D77 PolarHBondContact O-N 3.21Å; W75-D77 PolarHBondContact O-N 3.1Å; W75-D77 VanDerWaalsContact O-N 3.16Å; D77-M79 WeakPolarHBondContact O-CE 3.5Å; D77-E117 HydrophobicContact CB-CB 3.71Å; D77-E117 HydrophobicContact CB-CG 4.22Å; D77-E117 WeakPolarHBondContact OD1-CB 3.32Å; D77-F118 WeakPolarHBondContact OD1-CA 3.35Å; D77-F118 WeakPolarHBondContact OD1-CB 3.43Å; D77-F118 PolarHBondContact OD1-N 3.16Å; D77-G119 PolarHBondContact OD1-N 3.28Å; D77-G119 VanDerWaalsContact OD2-CA 3.29Å; D77-G119 WeakPolarHBondContact OD2-CA 3.45Å; D77-G119 PolarHBondContact OD2-N 3.4Å; D77-T120 VanDerWaalsContact OD2-CB 3.3Å; D77-T120 WeakPolarHBondContact OD2-CB 3.28Å; D77-T120 PolarHBondContact OD2-N 2.9Å; D77-T120 PolarHBondContact OD2-OG1 2.97Å; D77-N146 PolarHBondContact O-ND2 3.32Å
78	G	97.7	Very high	97.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-60.8	145	-176.8	0	0	0	0	0	111.7	K64 W75 A80 N146	K64-G78 CarbonylContact O-C 3.52Å; K64-G78 VanDerWaalsContact O-CA 3.25Å; K64-G78 WeakPolarHBondContact O-CA 3.39Å; W75-G78 PolarHBondContact O-N 3.45Å; G78-A80 PolarHBondContact O-N 2.87Å; G78-N146 PolarHBondContact O-ND2 3.09Å
79	M	98.4	Very high	97.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.5	-173.1	-60.4	-75.6	90.9	0	0	111.2	G63 K64 F67 Y72 D77 M81 A103 Y104 E117 N146	G63-M79 PolarHBondContact N-O 2.67Å; K64-M79 HydrophobicContact CB-CB 4.16Å; K64-M79 HydrophobicContact CB-CG 4.45Å; K64-M79 PolarHBondContact O-N 2.86Å; F67-M79 HydrophobicContact CE2-CG 3.55Å; F67-M79 HydrophobicContact CE2-SD 4.08Å; F67-M79 HydrophobicContact CZ-CG 3.77Å; F67-M79 HydrophobicContact CZ-SD 4.3Å; Y72-M79 HydrophobicContact CE1-CE 4.42Å; Y72-M79 HydrophobicContact CE2-CE 4.23Å; Y72-M79 HydrophobicContact CE2-CG 4.22Å; Y72-M79 WeakPolarHBondContact OH-CE 3.39Å; D77-M79 WeakPolarHBondContact O-CE 3.5Å; M79-M81 PolarHBondContact O-N 3.42Å; M79-A103 HydrophobicContact SD-CB 4.42Å; M79-Y104 HydrophobicContact CB-CD2 3.82Å; M79-Y104 HydrophobicContact CB-CE2 4.4Å; M79-Y104 HydrophobicContact CG-CD2 3.89Å; M79-Y104 HydrophobicContact SD-CD2 4.28Å; M79-E117 HydrophobicContact CE-CG 4.31Å; M79-E117 WeakPolarHBondContact CE-OE1 3.37Å; M79-N146 HydrophobicContact CE-CB 3.96Å; M79-N146 VanDerWaalsContact CE-ND2 3.27Å; M79-N146 WeakPolarHBondContact CE-ND2 3.39Å
80	A	98.5	Very high	97.5	Very high	1 Å²	1	28 Å²	28	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	122.9	-178	0	0	0	0	0	112.2	G61 G78 L99 N146 A147	G61-A80 CarbonylContact O-C 3.56Å; G61-A80 WeakPolarHBondContact O-CA 3.23Å; G78-A80 PolarHBondContact O-N 2.87Å; A80-L99 HydrophobicContact CB-CB 3.79Å; A80-L99 HydrophobicContact CB-CD2 3.95Å; A80-L99 PolarHBondContact O-N 2.79Å; A80-N146 WeakPolarHBondContact CB-OD1 3.47Å; A80-N146 PolarHBondContact N-OD1 2.96Å; A80-A147 WeakPolarHBondContact CB-O 3.28Å
81	M	98.6	Very high	97.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.5	167.8	-176.7	176	-68.7	0	0	108.8	V34 E36 N60 G61 M79 H83 F98	V34-M81 HydrophobicContact CG2-CE 3.76Å; V34-M81 HydrophobicContact CG2-SD 3.82Å; E36-M81 HydrophobicContact CB-CE 4.29Å; N60-M81 PolarHBondContact OD1-O 2.91Å; G61-M81 PolarHBondContact N-O 2.83Å; G61-M81 PolarHBondContact O-N 2.99Å; M79-M81 PolarHBondContact O-N 3.42Å; M81-H83 PolarHBondContact O-CD2 2.79Å; M81-H83 PolarHBondContact SD-CE1 2.93Å; M81-F98 HydrophobicContact CB-CD1 4.15Å; M81-F98 HydrophobicContact CB-CE1 4.18Å; M81-F98 HydrophobicContact CE-CD1 3.92Å; M81-F98 HydrophobicContact CE-CD2 3.93Å; M81-F98 HydrophobicContact CE-CE1 3.34Å; M81-F98 HydrophobicContact CE-CE2 3.37Å; M81-F98 HydrophobicContact CE-CG 4.19Å; M81-F98 HydrophobicContact CE-CZ 3.04Å
82	L	98.8	Very high	97.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	136.4	175.7	-50	-174.7	0	0	0	108.5	N60 S96 R97 F151 V160 V170 L175	N60-L82 HydrophobicContact CB-CD2 4.31Å; N60-L82 WeakPolarHBondContact OD1-CD2 3.43Å; L82-S96 CarbonylContact O-C 3.48Å; L82-S96 WeakPolarHBondContact O-CA 3.47Å; L82-S96 VanDerWaalsContact O-CB 3.23Å; L82-S96 WeakPolarHBondContact O-CB 3.42Å; L82-R97 PolarHBondContact N-O 3.36Å; L82-R97 PolarHBondContact O-N 3.18Å; L82-F151 HydrophobicContact CB-CZ 4.37Å; L82-F151 HydrophobicContact CD1-CZ 4.46Å; L82-F151 HydrophobicContact CD2-CE2 4.25Å; L82-F151 HydrophobicContact CD2-CZ 3.97Å; L82-V160 HydrophobicContact CD1-CG1 4.42Å; L82-V160 HydrophobicContact CD2-CB 4.43Å; L82-V160 HydrophobicContact CD2-CG1 3.6Å; L82-V160 HydrophobicContact CD2-CG2 4.49Å; L82-V170 HydrophobicContact CD1-CB 4.48Å; L82-V170 HydrophobicContact CD1-CG1 3.95Å; L82-L175 HydrophobicContact CB-CB 4.27Å; L82-L175 HydrophobicContact CB-CD1 4.08Å; L82-L175 HydrophobicContact CB-CD2 4.04Å; L82-L175 HydrophobicContact CB-CG 4.37Å; L82-L175 HydrophobicContact CD1-CB 4.4Å; L82-L175 WeakPolarHBondContact O-CD1 3.31Å
83	H	98.6	Very high	97.8	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.056	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.9	176.3	-55.2	-95.6	0	0	0	109.6	L58 R59 M81 F85 Y94	L58-H83 VanDerWaalsContact CA-O 3.31Å; L58-H83 WeakPolarHBondContact CA-O 3.25Å; R59-H83 HydrophobicContact CB-CB 4.21Å; R59-H83 PolarHBondContact N-O 2.87Å; R59-H83 PolarHBondContact O-N 3.42Å; M81-H83 PolarHBondContact O-CD2 2.79Å; M81-H83 PolarHBondContact SD-CE1 2.93Å; H83-F85 HydrophobicContact CB-CE2 4.39Å; H83-Y94 HydrophobicContact CB-CE2 4.15Å; H83-Y94 AromaticContact ND1-CE2 3.88Å; H83-Y94 AromaticContact ND1-CZ 3.79Å; H83-Y94 PolarHBondContact ND1-OH 3.16Å
84	Q	98.5	Very high	97.9	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.7	174	179.3	-166.9	85.7	0	0	109.6	N56 F57 L58 Y94 K95 P172 E173 L175	N56-Q84 HydrophobicContact CB-CG 4.13Å; F57-Q84 CarbonylContact O-C 3.59Å; F57-Q84 WeakPolarHBondContact O-CA 3.3Å; L58-Q84 HydrophobicContact CD2-CB 4.04Å; L58-Q84 HydrophobicContact CD2-CG 3.99Å; Q84-Y94 WeakPolarHBondContact O-CA 3.42Å; Q84-K95 HydrophobicContact CB-CG 4Å; Q84-K95 PolarHBondContact N-O 2.68Å; Q84-K95 PolarHBondContact O-N 3.28Å; Q84-P172 PolarHBondContact NE2-O 3.28Å; Q84-E173 PolarHBondContact NE2-O 3.38Å; Q84-L175 HydrophobicContact CB-CD1 3.86Å; Q84-L175 HydrophobicContact CB-CD2 4.04Å; Q84-L175 HydrophobicContact CB-CG 4.07Å
85	F	98.6	Very high	97.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	104.3	163.6	-60.1	-106.2	0	0	0	107.4	F57 H83 V92 T93 Y94 V505 L517 V533 M537	F57-F85 HydrophobicContact CB-CB 4.24Å; F57-F85 HydrophobicContact CD1-CD2 4.11Å; F57-F85 HydrophobicContact CD1-CG 4.49Å; F57-F85 PolarHBondContact N-O 3.11Å; F57-F85 PolarHBondContact O-N 3.47Å; H83-F85 HydrophobicContact CB-CE2 4.39Å; F85-V92 HydrophobicContact CB-CG1 4Å; F85-V92 HydrophobicContact CD1-CG1 4.13Å; F85-T93 CarbonylContact C-O 3.57Å; F85-T93 VanDerWaalsContact CA-O 3.3Å; F85-T93 WeakPolarHBondContact CA-O 3.41Å; F85-Y94 HydrophobicContact CD1-CD2 4.11Å; F85-Y94 HydrophobicContact CD2-CD2 4.28Å; F85-Y94 AromaticContact CE1-CD2 3.77Å; F85-Y94 HydrophobicContact CE1-CD2 3.77Å; F85-Y94 HydrophobicContact CE1-CE2 4.43Å; F85-Y94 AromaticContact CE2-CD2 3.89Å; F85-Y94 HydrophobicContact CE2-CD2 3.89Å; F85-Y94 AromaticContact CE2-CE2 3.98Å; F85-Y94 HydrophobicContact CE2-CE2 3.98Å; F85-Y94 HydrophobicContact CG-CD2 4.36Å; F85-Y94 AromaticContact CZ-CD2 3.63Å; F85-Y94 HydrophobicContact CZ-CD2 3.63Å; F85-Y94 AromaticContact CZ-CE2 3.85Å; F85-Y94 HydrophobicContact CZ-CE2 3.85Å; F85-V505 HydrophobicContact CD2-CG2 4.2Å; F85-V505 HydrophobicContact CE1-CG2 4.27Å; F85-V505 HydrophobicContact CE2-CG2 3.35Å; F85-V505 HydrophobicContact CZ-CB 4.39Å; F85-V505 HydrophobicContact CZ-CG1 4.08Å; F85-V505 HydrophobicContact CZ-CG2 3.38Å; F85-L517 HydrophobicContact CB-CD2 3.9Å; F85-L517 HydrophobicContact CD1-CB 3.68Å; F85-L517 HydrophobicContact CD1-CD2 3.98Å; F85-L517 HydrophobicContact CD1-CG 4.33Å; F85-L517 HydrophobicContact CE1-CB 3.77Å; F85-L517 HydrophobicContact CG-CB 4.47Å; F85-L517 HydrophobicContact CG-CD2 4.14Å; F85-V533 HydrophobicContact CD1-CG2 4.4Å; F85-V533 HydrophobicContact CE1-CG2 3.6Å; F85-V533 HydrophobicContact CZ-CG2 4.43Å; F85-M537 HydrophobicContact CE1-CE 4.25Å; F85-M537 HydrophobicContact CZ-CE 3.75Å; F85-M537 HydrophobicContact CZ-SD 3.97Å
86	K	98.5	Very high	98	Very high	64 Å²	64	26.4 Å²	26.4	28%	0.278	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	118.1	176.7	-179.7	165.6	-173.2	152.2	0	108.5	N56 V92 T93 E173	N56-K86 WeakPolarHBondContact OD1-CB 3.23Å; N56-K86 WeakPolarHBondContact OD1-CG 3.36Å; K86-V92 VanDerWaalsContact O-CA 3.28Å; K86-V92 WeakPolarHBondContact O-CA 3.5Å; K86-T93 PolarHBondContact N-O 3.41Å; K86-T93 PolarHBondContact O-N 2.86Å; K86-E173 IonicContact NZ-OE2 2.7Å; K86-E173 PolarHBondContact NZ-OE2 2.81Å; K86-E173 VanDerWaalsContact NZ-OE2 3.08Å
87	I	98.4	Very high	98.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.8	-175.6	-48	175.7	0	0	0	108	I49 I53 N54 G55 F57 Q91 V92 L503 L517 F545	I49-I87 HydrophobicContact CG2-CG2 3.94Å; I53-I87 HydrophobicContact CB-CG2 4.05Å; I53-I87 HydrophobicContact CG2-CB 4.04Å; I53-I87 HydrophobicContact CG2-CD1 3.9Å; I53-I87 HydrophobicContact CG2-CG2 3.74Å; N54-I87 WeakPolarHBondContact CA-O 3.48Å; G55-I87 PolarHBondContact N-O 2.81Å; G55-I87 PolarHBondContact O-N 2.82Å; F57-I87 HydrophobicContact CB-CD1 4.5Å; I87-Q91 WeakPolarHBondContact CA-O 3.49Å; I87-V92 HydrophobicContact CG1-CG1 4.47Å; I87-V92 HydrophobicContact CG1-CG2 4.11Å; I87-V92 HydrophobicContact CG2-CG2 4.24Å; I87-L503 HydrophobicContact CD1-CD1 3.96Å; I87-L503 HydrophobicContact CD1-CD2 4.36Å; I87-L517 HydrophobicContact CD1-CD2 3.84Å; I87-L517 HydrophobicContact CG1-CD2 4.28Å; I87-F545 HydrophobicContact CD1-CE2 4.47Å
88	Q	97.2	Very high	98.2	Very high	93 Å²	93	27.3 Å²	27.3	44%	0.435	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	129.5	178.4	-172.8	174.6	9.7	0	0	110.2	G90 Q91	Q88-G90 PolarHBondContact O-N 2.85Å; Q88-Q91 PolarHBondContact N-O 3.12Å; Q88-Q91 PolarHBondContact O-N 3.28Å
89	N	95.9	Very high	98.2	Very high	121 Å²	121	27.5 Å²	27.5	65%	0.647	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	39.1	177.8	-59.5	-35.7	0	0	0	113.5	Q91	N89-Q91 PolarHBondContact O-N 2.79Å
90	G	96.7	Very high	98.2	Very high	12 Å²	12	31 Å²	31	12%	0.124	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	-0.9	-178.5	0	0	0	0	0	115.3	I49 Q88	I49-G90 WeakPolarHBondContact O-CA 3.47Å; Q88-G90 PolarHBondContact O-N 2.85Å
91	Q	98.1	Very high	98.2	Very high	128 Å²	128	31 Å²	31	60%	0.598	15%	0.151	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	150	176.7	-61.6	-66.4	80.1	0	0	111.1	I87 Q88 N89	I87-Q91 WeakPolarHBondContact CA-O 3.49Å; Q88-Q91 PolarHBondContact N-O 3.12Å; Q88-Q91 PolarHBondContact O-N 3.28Å; N89-Q91 PolarHBondContact O-N 2.79Å
92	V	98.6	Very high	98.1	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.03	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.3	-179.9	-174.5	0	0	0	0	110.9	T43 I49 F85 K86 I87 L517 A531	T43-V92 WeakPolarHBondContact CB-O 3.29Å; T43-V92 HydrophobicContact CG2-CB 4.39Å; T43-V92 HydrophobicContact CG2-CG1 4.21Å; T43-V92 WeakPolarHBondContact CG2-O 3.28Å; T43-V92 PolarHBondContact N-O 2.98Å; T43-V92 WeakPolarHBondContact OG1-CB 3.2Å; T43-V92 PolarHBondContact OG1-O 2.94Å; I49-V92 HydrophobicContact CD1-CG2 3.54Å; F85-V92 HydrophobicContact CB-CG1 4Å; F85-V92 HydrophobicContact CD1-CG1 4.13Å; K86-V92 VanDerWaalsContact O-CA 3.28Å; K86-V92 WeakPolarHBondContact O-CA 3.5Å; I87-V92 HydrophobicContact CG1-CG1 4.47Å; I87-V92 HydrophobicContact CG1-CG2 4.11Å; I87-V92 HydrophobicContact CG2-CG2 4.24Å; V92-L517 HydrophobicContact CG1-CD2 4.13Å; V92-L517 HydrophobicContact CG2-CD2 4.39Å; V92-A531 HydrophobicContact CB-CB 3.69Å; V92-A531 HydrophobicContact CG1-CB 4.06Å; V92-A531 HydrophobicContact CG2-CB 3.77Å
93	T	98.6	Very high	98	Very high	45 Å²	45	33.9 Å²	33.9	28%	0.276	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	151.5	164.2	63	0	0	0	0	110.3	I41 F85 K86	I41-T93 CarbonylContact O-C 3.58Å; I41-T93 VanDerWaalsContact O-CA 3.26Å; I41-T93 WeakPolarHBondContact O-CA 3.5Å; I41-T93 WeakPolarHBondContact O-CB 3.29Å; F85-T93 CarbonylContact C-O 3.57Å; F85-T93 VanDerWaalsContact CA-O 3.3Å; F85-T93 WeakPolarHBondContact CA-O 3.41Å; K86-T93 PolarHBondContact N-O 3.41Å; K86-T93 PolarHBondContact O-N 2.86Å
94	Y	98.7	Very high	97.9	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	144.1	-179.7	171.1	-96.4	0	0	0	111	P40 I41 H83 Q84 F85 S96 V533 V535 M537	P40-Y94 WeakPolarHBondContact CA-O 3.25Å; I41-Y94 HydrophobicContact CD1-CD1 3.89Å; I41-Y94 HydrophobicContact CG1-CD1 3.96Å; I41-Y94 WeakPolarHBondContact CG1-O 3.42Å; I41-Y94 PolarHBondContact N-O 2.83Å; I41-Y94 PolarHBondContact O-N 3.49Å; H83-Y94 HydrophobicContact CB-CE2 4.15Å; H83-Y94 AromaticContact ND1-CE2 3.88Å; H83-Y94 AromaticContact ND1-CZ 3.79Å; H83-Y94 PolarHBondContact ND1-OH 3.16Å; Q84-Y94 WeakPolarHBondContact O-CA 3.42Å; F85-Y94 HydrophobicContact CD1-CD2 4.11Å; F85-Y94 HydrophobicContact CD2-CD2 4.28Å; F85-Y94 AromaticContact CE1-CD2 3.77Å; F85-Y94 HydrophobicContact CE1-CD2 3.77Å; F85-Y94 HydrophobicContact CE1-CE2 4.43Å; F85-Y94 AromaticContact CE2-CD2 3.89Å; F85-Y94 HydrophobicContact CE2-CD2 3.89Å; F85-Y94 AromaticContact CE2-CE2 3.98Å; F85-Y94 HydrophobicContact CE2-CE2 3.98Å; F85-Y94 HydrophobicContact CG-CD2 4.36Å; F85-Y94 AromaticContact CZ-CD2 3.63Å; F85-Y94 HydrophobicContact CZ-CD2 3.63Å; F85-Y94 AromaticContact CZ-CE2 3.85Å; F85-Y94 HydrophobicContact CZ-CE2 3.85Å; Y94-S96 WeakPolarHBondContact OH-CB 3.46Å; Y94-S96 PolarHBondContact OH-OG 3.18Å; Y94-V533 HydrophobicContact CD1-CG1 3.6Å; Y94-V533 HydrophobicContact CD2-CG1 4.25Å; Y94-V533 HydrophobicContact CE1-CG1 4.19Å; Y94-V533 HydrophobicContact CG-CG1 3.61Å; Y94-V535 HydrophobicContact CD1-CG2 4Å; Y94-V535 HydrophobicContact CE1-CG2 3.45Å; Y94-V535 VanDerWaalsContact CE1-CG2 3.45Å; Y94-M537 HydrophobicContact CD1-CE 4.43Å; Y94-M537 HydrophobicContact CD2-CE 3.71Å; Y94-M537 HydrophobicContact CE1-CE 4.07Å; Y94-M537 HydrophobicContact CE2-CE 3.25Å; Y94-M537 HydrophobicContact CE2-SD 3.79Å; Y94-M537 HydrophobicContact CG-CE 4.26Å; Y94-M537 VanDerWaalsContact CZ-CE 3.44Å
95	K	98.3	Very high	97.9	Very high	14 Å²	14	38.4 Å²	38.4	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	161	161.2	61.3	161.1	179.1	-90.3	0	111.4	T37 P40 Q84 E173 N174 L175	T37-K95 CarbonylContact O-C 3.48Å; T37-K95 VanDerWaalsContact O-CA 3.29Å; T37-K95 WeakPolarHBondContact O-CA 3.33Å; T37-K95 WeakPolarHBondContact O-CB 3.48Å; P40-K95 HydrophobicContact CG-CD 4.5Å; Q84-K95 HydrophobicContact CB-CG 4Å; Q84-K95 PolarHBondContact N-O 2.68Å; Q84-K95 PolarHBondContact O-N 3.28Å; K95-E173 PolarHBondContact NZ-O 3.12Å; K95-N174 VanDerWaalsContact CE-C 3.45Å; K95-N174 VanDerWaalsContact CE-CA 3.42Å; K95-N174 WeakPolarHBondContact CE-O 3.41Å; K95-L175 HydrophobicContact CD-CD1 4.38Å; K95-L175 HydrophobicContact CG-CD1 4.15Å
96	S	98.5	Very high	97.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	153.3	171.8	59.9	0	0	0	0	112.4	T37 P38 L82 Y94	T37-S96 CarbonylContact C-O 3.33Å; T37-S96 PolarHBondContact N-O 2.97Å; T37-S96 PolarHBondContact N-OG 3.07Å; T37-S96 PolarHBondContact O-N 2.84Å; T37-S96 VanDerWaalsContact O-O 3.07Å; P38-S96 WeakPolarHBondContact CA-O 3.33Å; L82-S96 CarbonylContact O-C 3.48Å; L82-S96 WeakPolarHBondContact O-CA 3.47Å; L82-S96 VanDerWaalsContact O-CB 3.23Å; L82-S96 WeakPolarHBondContact O-CB 3.42Å; Y94-S96 WeakPolarHBondContact OH-CB 3.46Å; Y94-S96 PolarHBondContact OH-OG 3.18Å
97	R	98.4	Very high	97.5	Very high	63 Å²	63	39.2 Å²	39.2	24%	0.238	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	140	175.9	-67.2	-172.6	176.5	-122.2	-5.5	110.4	E36 P38 E39 L82 N174 L175	E36-R97 WeakPolarHBondContact OE2-CA 3.4Å; P38-R97 HydrophobicContact CB-CG 4.24Å; P38-R97 PolarHBondContact O-NH2 3.17Å; E39-R97 IonicContact OE1-NH2 2.73Å; L82-R97 PolarHBondContact N-O 3.36Å; L82-R97 PolarHBondContact O-N 3.18Å; R97-N174 PolarHBondContact NE-O 3.43Å; R97-L175 HydrophobicContact CB-CB 4.25Å; R97-L175 HydrophobicContact CG-CB 4.3Å
98	F	98.6	Very high	97.4	Very high	9 Å²	9	41.6 Å²	41.6	4%	0.039	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	135.4	163.8	-76	-70.1	0	0	0	110.1	V34 E36 K64 M81 Q100 Y104	V34-F98 WeakPolarHBondContact O-CZ 3.48Å; E36-F98 HydrophobicContact CB-CD2 4Å; E36-F98 HydrophobicContact CB-CE2 4.28Å; E36-F98 HydrophobicContact CG-CD2 4.09Å; E36-F98 HydrophobicContact CG-CE2 4.49Å; E36-F98 PolarHBondContact OE2-N 2.82Å; K64-F98 HydrophobicContact CB-CE1 3.55Å; K64-F98 HydrophobicContact CB-CZ 3.73Å; K64-F98 HydrophobicContact CD-CZ 4.38Å; M81-F98 HydrophobicContact CB-CD1 4.15Å; M81-F98 HydrophobicContact CB-CE1 4.18Å; M81-F98 HydrophobicContact CE-CD1 3.92Å; M81-F98 HydrophobicContact CE-CD2 3.93Å; M81-F98 HydrophobicContact CE-CE1 3.34Å; M81-F98 HydrophobicContact CE-CE2 3.37Å; M81-F98 HydrophobicContact CE-CG 4.19Å; M81-F98 HydrophobicContact CE-CZ 3.04Å; F98-Q100 PolarHBondContact O-N 2.97Å; F98-Q100 PolarHBondContact O-NE2 2.95Å; F98-Y104 HydrophobicContact CB-CD1 4.47Å; F98-Y104 HydrophobicContact CB-CD2 4.28Å; F98-Y104 HydrophobicContact CB-CE1 3.95Å; F98-Y104 HydrophobicContact CB-CE2 3.74Å; F98-Y104 HydrophobicContact CD1-CD2 4.32Å; F98-Y104 AromaticContact CD1-CE2 3.69Å; F98-Y104 HydrophobicContact CD1-CE2 3.69Å; F98-Y104 HydrophobicContact CD2-CE2 4.08Å; F98-Y104 AromaticContact CD2-CZ 3.85Å; F98-Y104 VanDerWaalsContact CD2-OH 3.23Å; F98-Y104 WeakPolarHBondContact CD2-OH 3.3Å; F98-Y104 HydrophobicContact CE1-CE2 4.29Å; F98-Y104 HydrophobicContact CG-CD2 4.41Å; F98-Y104 HydrophobicContact CG-CE1 4.5Å; F98-Y104 AromaticContact CG-CE2 3.56Å; F98-Y104 HydrophobicContact CG-CE2 3.56Å; F98-Y104 AromaticContact CG-CZ 3.62Å
99	L	98.5	Very high	97.3	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	22%	0.22	C	C	.	.			trans	-63.1	123.5	171	179.4	66.4	0	0	0	108.9	A80 S101 Y104 A147 V160 H168 V170 M177	A80-L99 HydrophobicContact CB-CB 3.79Å; A80-L99 HydrophobicContact CB-CD2 3.95Å; A80-L99 PolarHBondContact O-N 2.79Å; L99-S101 PolarHBondContact O-N 3.31Å; L99-Y104 WeakPolarHBondContact O-CB 3.48Å; L99-A147 HydrophobicContact CD2-CB 3.77Å; L99-V160 HydrophobicContact CD1-CG2 3.86Å; L99-V160 HydrophobicContact CD2-CG2 3.89Å; L99-V160 HydrophobicContact CG-CG2 4.49Å; L99-H168 HydrophobicContact CD1-CB 3.98Å; L99-V170 HydrophobicContact CD1-CG1 4.34Å; L99-M177 HydrophobicContact CD1-CB 4.18Å; L99-M177 HydrophobicContact CD1-CG 4.32Å
100	Q	97.9	Very high	97.1	Very high	74 Å²	74	45.4 Å²	45.4	35%	0.346	21%	0.214	S	C	.	.			trans	-78.8	47.6	-179.2	-63.1	-58.5	-44.5	0	0	112.5	F98 K105 M177	F98-Q100 PolarHBondContact O-N 2.97Å; F98-Q100 PolarHBondContact O-NE2 2.95Å; Q100-K105 WeakPolarHBondContact O-CE 3.38Å; Q100-K105 PolarHBondContact O-NZ 3.49Å; Q100-M177 HydrophobicContact CB-SD 4.21Å
101	S	97.9	Very high	97	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.007	23%	0.234	C	C	.	.			trans	-66.9	163.5	178	68.6	0	0	0	0	112	L99 A103 Y104 K105 D145	L99-S101 PolarHBondContact O-N 3.31Å; S101-A103 VanDerWaalsContact C-N 3.27Å; S101-A103 PolarHBondContact O-N 2.87Å; S101-Y104 PolarHBondContact O-N 2.93Å; S101-Y104 WeakPolarHBondContact OG-CB 3.46Å; S101-Y104 PolarHBondContact OG-N 3.23Å; S101-Y104 VanDerWaalsContact OG-N 3.1Å; S101-K105 WeakPolarHBondContact O-CG 3.48Å; S101-K105 PolarHBondContact O-N 3.43Å; S101-D145 WeakPolarHBondContact CB-O 3.33Å; S101-D145 WeakPolarHBondContact CB-OD1 3.45Å
102	D	96.8	Very high	96.8	Very high	62 Å²	62	46.5 Å²	46.5	33%	0.332	22%	0.217	S	C	.	.	H	α-helix	trans	-63.1	-38.6	175.6	-65.6	-22	0	0	0	110.6	K106 D145 K180	D102-K106 VanDerWaalsContact O-CB 3.26Å; D102-K106 WeakPolarHBondContact O-CB 3.36Å; D102-K106 WeakPolarHBondContact O-CG 3.45Å; D102-K106 PolarHBondContact O-N 3.35Å; D102-D145 WeakPolarHBondContact CB-OD2 3.48Å; D102-D145 PolarHBondContact N-OD1 3.33Å; D102-D145 PolarHBondContact N-OD2 2.98Å; D102-K180 IonicContact OD2-NZ 3.38Å; D102-K180 PolarHBondContact OD2-NZ 2.84Å
103	A	95.9	Very high	96.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.8	-50.7	173.5	0	0	0	0	0	111.7	M79 S101 K105 N107 M115 D145 N146	M79-A103 HydrophobicContact SD-CB 4.42Å; S101-A103 VanDerWaalsContact C-N 3.27Å; S101-A103 PolarHBondContact O-N 2.87Å; A103-K105 PolarHBondContact O-N 3.32Å; A103-N107 VanDerWaalsContact O-CB 3.31Å; A103-N107 WeakPolarHBondContact O-CB 3.35Å; A103-N107 PolarHBondContact O-N 3.45Å; A103-N107 PolarHBondContact O-ND2 2.91Å; A103-N107 VanDerWaalsContact O-ND2 3.13Å; A103-N107 PolarHBondContact O-OD1 3.19Å; A103-M115 HydrophobicContact CB-CB 4.34Å; A103-M115 HydrophobicContact CB-SD 3.8Å; A103-D145 PolarHBondContact N-OD1 2.91Å; A103-N146 HydrophobicContact CB-CB 4.45Å
104	Y	97.7	Very high	96.2	Very high	30 Å²	30	46.9 Å²	46.9	12%	0.118	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-45.5	-179.1	-176.2	-98.5	0	0	0	112.3	K64 F67 M79 F98 L99 S101 N107 S108	K64-Y104 HydrophobicContact CD-CE2 4.04Å; F67-Y104 HydrophobicContact CZ-CD2 4.04Å; F67-Y104 HydrophobicContact CZ-CE2 4.19Å; M79-Y104 HydrophobicContact CB-CD2 3.82Å; M79-Y104 HydrophobicContact CB-CE2 4.4Å; M79-Y104 HydrophobicContact CG-CD2 3.89Å; M79-Y104 HydrophobicContact SD-CD2 4.28Å; F98-Y104 HydrophobicContact CB-CD1 4.47Å; F98-Y104 HydrophobicContact CB-CD2 4.28Å; F98-Y104 HydrophobicContact CB-CE1 3.95Å; F98-Y104 HydrophobicContact CB-CE2 3.74Å; F98-Y104 HydrophobicContact CD1-CD2 4.32Å; F98-Y104 AromaticContact CD1-CE2 3.69Å; F98-Y104 HydrophobicContact CD1-CE2 3.69Å; F98-Y104 HydrophobicContact CD2-CE2 4.08Å; F98-Y104 AromaticContact CD2-CZ 3.85Å; F98-Y104 VanDerWaalsContact CD2-OH 3.23Å; F98-Y104 WeakPolarHBondContact CD2-OH 3.3Å; F98-Y104 HydrophobicContact CE1-CE2 4.29Å; F98-Y104 HydrophobicContact CG-CD2 4.41Å; F98-Y104 HydrophobicContact CG-CE1 4.5Å; F98-Y104 AromaticContact CG-CE2 3.56Å; F98-Y104 HydrophobicContact CG-CE2 3.56Å; F98-Y104 AromaticContact CG-CZ 3.62Å; L99-Y104 WeakPolarHBondContact O-CB 3.48Å; S101-Y104 PolarHBondContact O-N 2.93Å; S101-Y104 WeakPolarHBondContact OG-CB 3.46Å; S101-Y104 PolarHBondContact OG-N 3.23Å; S101-Y104 VanDerWaalsContact OG-N 3.1Å; Y104-N107 PolarHBondContact O-N 3.32Å; Y104-S108 VanDerWaalsContact O-CB 3.29Å; Y104-S108 WeakPolarHBondContact O-CB 3.44Å; Y104-S108 PolarHBondContact O-N 3.27Å; Y104-S108 PolarHBondContact O-OG 2.8Å
105	K	97.3	Very high	95.7	Very high	80 Å²	80	47.5 Å²	47.5	35%	0.348	22%	0.219	S	C	.	.	H	α-helix	trans	-63.2	-51.8	179	-73.7	169.7	174.7	148.5	0	111.8	Q100 S101 A103 N107 S108 E109	Q100-K105 WeakPolarHBondContact O-CE 3.38Å; Q100-K105 PolarHBondContact O-NZ 3.49Å; S101-K105 WeakPolarHBondContact O-CG 3.48Å; S101-K105 PolarHBondContact O-N 3.43Å; A103-K105 PolarHBondContact O-N 3.32Å; K105-N107 VanDerWaalsContact C-N 3.28Å; K105-N107 PolarHBondContact O-N 3.45Å; K105-S108 PolarHBondContact O-N 3.34Å; K105-E109 WeakPolarHBondContact O-CB 3.36Å; K105-E109 VanDerWaalsContact O-CG 3.31Å; K105-E109 WeakPolarHBondContact O-CG 3.32Å; K105-E109 PolarHBondContact O-N 3.06Å
106	K	94.6	Very high	95.4	Very high	80 Å²	80	47.4 Å²	47.4	35%	0.348	22%	0.22	S	C	.	.	H	α-helix	trans	-58.5	-41	179.2	-73.9	174.7	-178.7	176.5	0	111.6	D102 M114 E142	D102-K106 VanDerWaalsContact O-CB 3.26Å; D102-K106 WeakPolarHBondContact O-CB 3.36Å; D102-K106 WeakPolarHBondContact O-CG 3.45Å; D102-K106 PolarHBondContact O-N 3.35Å; K106-M114 HydrophobicContact CB-CB 4.43Å; K106-E142 IonicContact NZ-OE2 3.79Å; K106-E142 PolarHBondContact NZ-OE2 3.36Å
107	N	95.6	Very high	95.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.8	-40.5	179.6	-63.6	-16.9	0	0	0	112	F67 Y72 A103 Y104 K105 D111 R112 M114 M115	F67-N107 HydrophobicContact CD1-CB 3.85Å; F67-N107 WeakPolarHBondContact CD1-O 3.32Å; F67-N107 HydrophobicContact CD2-CB 3.69Å; F67-N107 HydrophobicContact CE1-CB 3.7Å; F67-N107 HydrophobicContact CE2-CB 3.52Å; F67-N107 HydrophobicContact CG-CB 3.84Å; F67-N107 HydrophobicContact CZ-CB 3.51Å; Y72-N107 PolarHBondContact OH-ND2 3.39Å; A103-N107 VanDerWaalsContact O-CB 3.31Å; A103-N107 WeakPolarHBondContact O-CB 3.35Å; A103-N107 PolarHBondContact O-N 3.45Å; A103-N107 PolarHBondContact O-ND2 2.91Å; A103-N107 VanDerWaalsContact O-ND2 3.13Å; A103-N107 PolarHBondContact O-OD1 3.19Å; Y104-N107 PolarHBondContact O-N 3.32Å; K105-N107 VanDerWaalsContact C-N 3.28Å; K105-N107 PolarHBondContact O-N 3.45Å; N107-D111 WeakPolarHBondContact O-CA 3.37Å; N107-D111 PolarHBondContact O-N 2.7Å; N107-R112 WeakPolarHBondContact CA-O 3.37Å; N107-R112 WeakPolarHBondContact CB-O 3.43Å; N107-R112 PolarHBondContact O-N 2.89Å; N107-R112 VanDerWaalsContact O-N 3.13Å; N107-M114 PolarHBondContact OD1-N 3.36Å; N107-M115 PolarHBondContact OD1-N 3.27Å
108	S	96	Very high	94.9	Very high	51 Å²	51	46.8 Å²	46.8	36%	0.357	22%	0.219	S	C	.	.	H	α-helix	trans	-65.5	-44.9	177.4	-58.9	0	0	0	0	112.4	F67 Y104 K105 R110 D111	F67-S108 WeakPolarHBondContact CE1-OG 3.42Å; Y104-S108 VanDerWaalsContact O-CB 3.29Å; Y104-S108 WeakPolarHBondContact O-CB 3.44Å; Y104-S108 PolarHBondContact O-N 3.27Å; Y104-S108 PolarHBondContact O-OG 2.8Å; K105-S108 PolarHBondContact O-N 3.34Å; S108-R110 PolarHBondContact O-N 3.14Å; S108-D111 PolarHBondContact O-N 3.14Å
109	E	95.6	Very high	94.7	Very high	153 Å²	153	46.6 Å²	46.6	72%	0.715	22%	0.219	S	C	*	.	H	α-helix	trans	-60.7	-30.4	-179.8	-75.9	172.8	-169.4	0	0	113.3	K105	K105-E109 WeakPolarHBondContact O-CB 3.36Å; K105-E109 VanDerWaalsContact O-CG 3.31Å; K105-E109 WeakPolarHBondContact O-CG 3.32Å; K105-E109 PolarHBondContact O-N 3.06Å
110	R	91.6	Very high	94.4	Very high	141 Å²	141	46.7 Å²	46.7	53%	0.532	22%	0.22	S	C	.	.	H	α-helix	trans	-104.5	-3.2	-177.1	-62.7	-62.2	-172.9	151.6	1.8	113.6	S108 R112 M114	S108-R110 PolarHBondContact O-N 3.14Å; R110-R112 PolarHBondContact O-N 2.81Å; R110-M114 HydrophobicContact CB-CG 3.76Å; R110-M114 HydrophobicContact CB-SD 4.01Å; R110-M114 HydrophobicContact CG-CE 4.44Å; R110-M114 HydrophobicContact CG-CG 3.86Å; R110-M114 HydrophobicContact CG-SD 4.14Å
111	D	94.5	Very high	94	Very high	100 Å²	100	45.5 Å²	45.5	54%	0.535	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.9	44.6	-170.1	-165.8	32.8	0	0	0	112.6	F67 G68 N107 S108	F67-D111 CarbonylContact C-O 3.52Å; G68-D111 WeakPolarHBondContact CA-O 3.41Å; G68-D111 WeakPolarHBondContact CA-OD1 3.33Å; G68-D111 WeakPolarHBondContact CA-OD2 3.28Å; G68-D111 PolarHBondContact N-O 2.99Å; G68-D111 PolarHBondContact N-OD1 3.24Å; N107-D111 WeakPolarHBondContact O-CA 3.37Å; N107-D111 PolarHBondContact O-N 2.7Å; S108-D111 PolarHBondContact O-N 3.14Å
112	R	93.7	Very high	93.3	Very high	63 Å²	63	46.3 Å²	46.3	24%	0.238	22%	0.223	C	C	.	.	S	Bend	trans	-160.7	152.3	-178	-163.5	-178.8	-177.2	168.7	5.3	111.4	T70 N107 R110 M114	T70-R112 HydrophobicContact CG2-CG 3.59Å; T70-R112 WeakPolarHBondContact OG1-CA 3.35Å; T70-R112 WeakPolarHBondContact OG1-CG 3.48Å; N107-R112 WeakPolarHBondContact CA-O 3.37Å; N107-R112 WeakPolarHBondContact CB-O 3.43Å; N107-R112 PolarHBondContact O-N 2.89Å; N107-R112 VanDerWaalsContact O-N 3.13Å; R110-R112 PolarHBondContact O-N 2.81Å; R112-M114 HydrophobicContact CB-SD 4.48Å; R112-M114 WeakPolarHBondContact O-CG 3.41Å; R112-M114 PolarHBondContact O-N 3.11Å
113	I	93.8	Very high	92	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.026	23%	0.231	C	C	.	.			trans	-67.2	104	170.7	-59	169.4	0	0	0	110.3	F67 T70 Y72 M115 T120 A122	F67-I113 HydrophobicContact CD2-CG1 4.25Å; T70-I113 PolarHBondContact OG1-N 3.19Å; Y72-I113 HydrophobicContact CD1-CD1 3.61Å; Y72-I113 HydrophobicContact CD1-CG1 4.37Å; Y72-I113 HydrophobicContact CD2-CD1 4.33Å; Y72-I113 HydrophobicContact CE1-CD1 3.58Å; Y72-I113 HydrophobicContact CE1-CG1 3.83Å; Y72-I113 HydrophobicContact CE1-CG2 3.88Å; Y72-I113 HydrophobicContact CE2-CD1 4.3Å; Y72-I113 HydrophobicContact CE2-CG1 4.43Å; Y72-I113 HydrophobicContact CG-CD1 4Å; I113-M115 VanDerWaalsContact CG2-O 3.26Å; I113-M115 WeakPolarHBondContact CG2-O 3.34Å; I113-T120 HydrophobicContact CD1-CG2 4.11Å; I113-T120 HydrophobicContact CG2-CG2 4.4Å; I113-A122 HydrophobicContact CG2-CB 4.47Å
114	M	89.6	Confident	90.7	Very high	52 Å²	52	50 Å²	50	26%	0.256	24%	0.243	S	C	.	.			trans	-99.9	-24.7	-180	-64.5	-56.7	-64.7	0	0	113	K106 N107 R110 R112 A122 D125	K106-M114 HydrophobicContact CB-CB 4.43Å; N107-M114 PolarHBondContact OD1-N 3.36Å; R110-M114 HydrophobicContact CB-CG 3.76Å; R110-M114 HydrophobicContact CB-SD 4.01Å; R110-M114 HydrophobicContact CG-CE 4.44Å; R110-M114 HydrophobicContact CG-CG 3.86Å; R110-M114 HydrophobicContact CG-SD 4.14Å; R112-M114 HydrophobicContact CB-SD 4.48Å; R112-M114 WeakPolarHBondContact O-CG 3.41Å; R112-M114 PolarHBondContact O-N 3.11Å; M114-A122 WeakPolarHBondContact O-CB 3.34Å; M114-D125 HydrophobicContact CE-CB 4.09Å
115	M	89.9	Confident	89.1	Confident	15 Å²	15	50.1 Å²	50.1	7%	0.074	25%	0.245	C	C	.	.	S	Bend	trans	-107.1	136.5	176.3	-162.1	161.1	-162.3	0	0	110.7	A103 N107 I113 E142 P143	A103-M115 HydrophobicContact CB-CB 4.34Å; A103-M115 HydrophobicContact CB-SD 3.8Å; N107-M115 PolarHBondContact OD1-N 3.27Å; I113-M115 VanDerWaalsContact CG2-O 3.26Å; I113-M115 WeakPolarHBondContact CG2-O 3.34Å; M115-E142 HydrophobicContact CE-CB 3.72Å; M115-P143 WeakPolarHBondContact CE-O 3.44Å
116	S	91.4	Very high	87.3	Confident	13 Å²	13	49.9 Å²	49.9	9%	0.091	25%	0.252	C	S	.	.			trans	-77.7	136.6	177.4	-56.5	0	0	0	0	109.1	T120 A122	S116-T120 CarbonylContact C-O 3.53Å; S116-T120 WeakPolarHBondContact CA-O 3.15Å; S116-A122 WeakPolarHBondContact OG-CB 3.18Å; S116-A122 PolarHBondContact OG-N 2.97Å
117	E	94.3	Very high	85.6	Confident	5 Å²	5	50.6 Å²	50.6	2%	0.023	27%	0.266	C	S	.	.			trans	-110.2	-173.1	176.6	-59.7	-60.7	160.5	0	0	109.8	Y72 D77 M79 G119 T120 T144	Y72-E117 HydrophobicContact CD1-CG 4.3Å; Y72-E117 HydrophobicContact CE1-CB 4.44Å; Y72-E117 HydrophobicContact CE1-CG 3.66Å; D77-E117 HydrophobicContact CB-CB 3.71Å; D77-E117 HydrophobicContact CB-CG 4.22Å; D77-E117 WeakPolarHBondContact OD1-CB 3.32Å; M79-E117 HydrophobicContact CE-CG 4.31Å; M79-E117 WeakPolarHBondContact CE-OE1 3.37Å; E117-G119 PolarHBondContact O-N 3.26Å; E117-T120 PolarHBondContact N-O 2.88Å; E117-T144 VanDerWaalsContact CD-OG1 3.27Å; E117-T144 PolarHBondContact OE1-OG1 3.25Å; E117-T144 VanDerWaalsContact OE1-OG1 3.09Å; E117-T144 WeakPolarHBondContact OE2-CB 3.28Å; E117-T144 VanDerWaalsContact OE2-CG2 3.31Å; E117-T144 WeakPolarHBondContact OE2-CG2 3.33Å; E117-T144 PolarHBondContact OE2-OG1 3.13Å
118	F	92.9	Very high	84.1	Confident	44 Å²	44	53.6 Å²	53.6	19%	0.193	28%	0.279	C	S	.	.	S	Bend	trans	-57.2	-50	-174.9	174.7	-105.9	0	0	0	113.7	H74 F76 D77 L288 N289 I292 I350	H74-F118 HydrophobicContact CB-CD1 4.49Å; H74-F118 AromaticContact CE1-CE1 3.83Å; H74-F118 AromaticContact CG-CD1 3.86Å; H74-F118 AromaticContact ND1-CD1 3.7Å; H74-F118 AromaticContact ND1-CE1 3.99Å; H74-F118 AromaticContact NE2-CE1 3.81Å; F76-F118 HydrophobicContact CB-CD1 4.35Å; F76-F118 AromaticContact CD2-CD1 3.86Å; F76-F118 HydrophobicContact CD2-CD1 3.86Å; F76-F118 AromaticContact CD2-CE1 3.86Å; F76-F118 HydrophobicContact CD2-CE1 3.86Å; F76-F118 HydrophobicContact CE2-CE1 4.34Å; D77-F118 WeakPolarHBondContact OD1-CA 3.35Å; D77-F118 WeakPolarHBondContact OD1-CB 3.43Å; D77-F118 PolarHBondContact OD1-N 3.16Å; F118-L288 WeakPolarHBondContact O-CB 3.27Å; F118-L288 PolarHBondContact O-N 2.92Å; F118-N289 HydrophobicContact CD1-CB 4.05Å; F118-N289 HydrophobicContact CE1-CB 3.61Å; F118-N289 HydrophobicContact CE2-CB 4.15Å; F118-N289 HydrophobicContact CZ-CB 3.66Å; F118-N289 PolarHBondContact O-N 2.87Å; F118-I292 HydrophobicContact CE2-CD1 3.59Å; F118-I292 HydrophobicContact CZ-CD1 3.94Å; F118-I350 HydrophobicContact CE1-CD1 4.35Å; F118-I350 HydrophobicContact CE1-CG2 3.84Å; F118-I350 HydrophobicContact CZ-CD1 3.95Å; F118-I350 HydrophobicContact CZ-CG2 3.63Å
119	G	93	Very high	82.6	Confident	5 Å²	5	55.4 Å²	55.4	5%	0.052	29%	0.285	C	S	.	.	S	Bend	trans	-105.2	-1.5	-180	0	0	0	0	0	114.9	D77 E117 A287	D77-G119 PolarHBondContact OD1-N 3.28Å; D77-G119 VanDerWaalsContact OD2-CA 3.29Å; D77-G119 WeakPolarHBondContact OD2-CA 3.45Å; D77-G119 PolarHBondContact OD2-N 3.4Å; E117-G119 PolarHBondContact O-N 3.26Å; G119-A287 VanDerWaalsContact O-CB 3.26Å; G119-A287 WeakPolarHBondContact O-CB 3.39Å
120	T	91.9	Very high	80.1	Confident	6 Å²	6	56.6 Å²	56.6	4%	0.037	29%	0.288	C	S	.	.			trans	-129.6	117.1	-172.2	-57.4	0	0	0	0	111.7	Y72 N73 D77 I113 S116 E117	Y72-T120 WeakPolarHBondContact CA-OG1 3.21Å; Y72-T120 HydrophobicContact CD1-CG2 4.01Å; N73-T120 PolarHBondContact N-OG1 2.9Å; N73-T120 PolarHBondContact ND2-OG1 3.01Å; D77-T120 VanDerWaalsContact OD2-CB 3.3Å; D77-T120 WeakPolarHBondContact OD2-CB 3.28Å; D77-T120 PolarHBondContact OD2-N 2.9Å; D77-T120 PolarHBondContact OD2-OG1 2.97Å; I113-T120 HydrophobicContact CD1-CG2 4.11Å; I113-T120 HydrophobicContact CG2-CG2 4.4Å; S116-T120 CarbonylContact C-O 3.53Å; S116-T120 WeakPolarHBondContact CA-O 3.15Å; E117-T120 PolarHBondContact N-O 2.88Å
121	L	89.6	Confident	77.8	Confident	49 Å²	49	56.5 Å²	56.5	26%	0.257	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-80.8	126.6	172.9	-173.3	68.9	0	0	0	109.7	K282	L121-K282 HydrophobicContact CD1-CG 4.06Å
122	A	84.1	Confident	75.7	Confident	18 Å²	18	56.1 Å²	56.1	15%	0.149	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-63.2	142.1	173.6	0	0	0	0	0	111	I113 M114 S116	I113-A122 HydrophobicContact CG2-CB 4.47Å; M114-A122 WeakPolarHBondContact O-CB 3.34Å; S116-A122 WeakPolarHBondContact OG-CB 3.18Å; S116-A122 PolarHBondContact OG-N 2.97Å
123	M	70	Confident	73.9	Confident	103 Å²	103	58 Å²	58	51%	0.507	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-75.4	144.8	177.9	-70.8	-71.9	-84.4	0	0	110.2	D125	M123-D125 PolarHBondContact O-N 3.12Å
124	P	68.5	Low	71.7	Confident	37 Å²	37	62.7 Å²	62.7	24%	0.24	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-57.5	132.9	174.5	-21.7	31.5	0	0	0	110.5	P126 R133	P124-P126 WeakPolarHBondContact O-CD 3.44Å; P124-P126 VanDerWaalsContact O-N 3.16Å; P124-R133 HydrophobicContact CB-CG 4.35Å
125	D	62.5	Low	70.1	Confident	32 Å²	32	64.1 Å²	64.1	17%	0.171	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-52.7	117.8	-179.9	-176.5	-9.9	0	0	0	110.6	M114 M123 C127 K128	M114-D125 HydrophobicContact CE-CB 4.09Å; M123-D125 PolarHBondContact O-N 3.12Å; D125-C127 PolarHBondContact O-N 2.79Å; D125-C127 VanDerWaalsContact OD1-CB 3.23Å; D125-C127 WeakPolarHBondContact OD1-CB 3.13Å; D125-C127 PolarHBondContact OD1-N 3.36Å; D125-K128 HydrophobicContact CB-CB 4.39Å; D125-K128 HydrophobicContact CB-CD 4.04Å; D125-K128 HydrophobicContact CB-CG 3.92Å; D125-K128 WeakPolarHBondContact O-CB 3.43Å; D125-K128 PolarHBondContact O-N 2.83Å; D125-K128 VanDerWaalsContact O-N 3.14Å
126	P	60.6	Low	68.6	Low	76 Å²	76	64.1 Å²	64.1	49%	0.494	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.2	-179.7	29.3	-35.2	0	0	0	112.6	P124 K128	P124-P126 WeakPolarHBondContact O-CD 3.44Å; P124-P126 VanDerWaalsContact O-N 3.16Å; P126-K128 VanDerWaalsContact C-N 3.29Å
127	C	58.5	Low	66.9	Low	95 Å²	95	69.5 Å²	69.5	64%	0.642	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-16.5	174.4	-60.6	0	0	0	0	112.6	D125	D125-C127 PolarHBondContact O-N 2.79Å; D125-C127 VanDerWaalsContact OD1-CB 3.23Å; D125-C127 WeakPolarHBondContact OD1-CB 3.13Å; D125-C127 PolarHBondContact OD1-N 3.36Å
128	K	63.4	Low	65	Low	62 Å²	62	74.9 Å²	74.9	27%	0.27	37%	0.365	S	S	.	.	S	Bend	trans	-76.7	137.8	171.8	-72.7	-176.3	-178.6	-171.6	0	109.9	D125 P126 Q132 R133 E139	D125-K128 HydrophobicContact CB-CB 4.39Å; D125-K128 HydrophobicContact CB-CD 4.04Å; D125-K128 HydrophobicContact CB-CG 3.92Å; D125-K128 WeakPolarHBondContact O-CB 3.43Å; D125-K128 PolarHBondContact O-N 2.83Å; D125-K128 VanDerWaalsContact O-N 3.14Å; P126-K128 VanDerWaalsContact C-N 3.29Å; K128-Q132 HydrophobicContact CB-CB 3.83Å; K128-Q132 HydrophobicContact CD-CB 4.31Å; K128-Q132 HydrophobicContact CG-CB 4.21Å; K128-R133 HydrophobicContact CB-CG 3.72Å; K128-R133 WeakPolarHBondContact O-CD 3.5Å; K128-R133 WeakPolarHBondContact O-CG 3.47Å; K128-E139 IonicContact NZ-OE1 3.67Å; K128-E139 IonicContact NZ-OE2 3.57Å
129	N	65.6	Low	63.4	Low	89 Å²	89	77.7 Å²	77.7	48%	0.476	38%	0.379	S	S	.	.			trans	-67.8	166.7	174.1	65.1	34.6	0	0	0	111.5	F131 Q132 R133	N129-F131 VanDerWaalsContact C-N 3.25Å; N129-F131 PolarHBondContact O-N 2.82Å; N129-F131 VanDerWaalsContact O-N 3.17Å; N129-F131 PolarHBondContact OD1-N 2.88Å; N129-Q132 PolarHBondContact O-N 2.78Å; N129-Q132 VanDerWaalsContact O-N 3.1Å; N129-Q132 VanDerWaalsContact OD1-CB 3.28Å; N129-Q132 WeakPolarHBondContact OD1-CB 3.5Å; N129-Q132 WeakPolarHBondContact OD1-CG 3.48Å; N129-Q132 PolarHBondContact OD1-N 2.84Å; N129-R133 WeakPolarHBondContact O-CG 3.2Å; N129-R133 PolarHBondContact O-N 3Å
130	F	43	Very low	61.9	Low	178 Å²	178	85.6 Å²	85.6	78%	0.781	42%	0.417	S	S	*	.	H	α-helix	trans	-54.4	-39.8	-173.5	-174.6	-94.3	0	0	0	113.3	R133 F134	F130-R133 PolarHBondContact O-N 2.98Å; F130-F134 PolarHBondContact O-N 3.33Å
131	F	44	Very low	60.8	Low	139 Å²	139	88 Å²	88	61%	0.61	43%	0.428	S	S	*	.	H	α-helix	trans	-69.7	-42.9	178.6	-168.3	-105.6	0	0	0	112.1	N129 R133 F134 L135	N129-F131 VanDerWaalsContact C-N 3.25Å; N129-F131 PolarHBondContact O-N 2.82Å; N129-F131 VanDerWaalsContact O-N 3.17Å; N129-F131 PolarHBondContact OD1-N 2.88Å; F131-R133 VanDerWaalsContact C-N 3.34Å; F131-R133 PolarHBondContact O-N 2.9Å; F131-F134 WeakPolarHBondContact O-CB 3.3Å; F131-F134 PolarHBondContact O-N 3.11Å; F131-L135 HydrophobicContact CD1-CD1 3.75Å; F131-L135 HydrophobicContact CD1-CG 4.34Å; F131-L135 HydrophobicContact CE1-CD1 3.49Å; F131-L135 VanDerWaalsContact CE1-CD1 3.49Å; F131-L135 HydrophobicContact CE1-CG 4.14Å; F131-L135 HydrophobicContact CZ-CD1 4.24Å; F131-L135 WeakPolarHBondContact O-CG 3.34Å; F131-L135 PolarHBondContact O-N 3.03Å
132	Q	49.2	Very low	60.3	Low	92 Å²	92	91.2 Å²	91.2	43%	0.43	44%	0.442	S	S	.	.	H	α-helix	trans	-64.8	-35.3	174	-73.6	169.2	-15.9	0	0	112.5	K128 N129 F134 L135 S136	K128-Q132 HydrophobicContact CB-CB 3.83Å; K128-Q132 HydrophobicContact CD-CB 4.31Å; K128-Q132 HydrophobicContact CG-CB 4.21Å; N129-Q132 PolarHBondContact O-N 2.78Å; N129-Q132 VanDerWaalsContact O-N 3.1Å; N129-Q132 VanDerWaalsContact OD1-CB 3.28Å; N129-Q132 WeakPolarHBondContact OD1-CB 3.5Å; N129-Q132 WeakPolarHBondContact OD1-CG 3.48Å; N129-Q132 PolarHBondContact OD1-N 2.84Å; Q132-F134 VanDerWaalsContact C-N 3.33Å; Q132-L135 PolarHBondContact O-N 2.91Å; Q132-S136 WeakPolarHBondContact O-CB 3.37Å; Q132-S136 PolarHBondContact O-N 2.87Å; Q132-S136 PolarHBondContact O-OG 3.07Å
133	R	55.7	Low	60.5	Low	103 Å²	103	92.9 Å²	92.9	39%	0.389	45%	0.452	S	S	.	.	H	α-helix	trans	-68.3	-31.4	173.7	-71.4	175.5	66.1	-171.1	1.7	112.8	P124 K128 N129 F130 F131 S136	P124-R133 HydrophobicContact CB-CG 4.35Å; K128-R133 HydrophobicContact CB-CG 3.72Å; K128-R133 WeakPolarHBondContact O-CD 3.5Å; K128-R133 WeakPolarHBondContact O-CG 3.47Å; N129-R133 WeakPolarHBondContact O-CG 3.2Å; N129-R133 PolarHBondContact O-N 3Å; F130-R133 PolarHBondContact O-N 2.98Å; F131-R133 VanDerWaalsContact C-N 3.34Å; F131-R133 PolarHBondContact O-N 2.9Å; R133-S136 PolarHBondContact O-OG 2.85Å; R133-S136 VanDerWaalsContact O-OG 3.05Å
134	F	48.9	Very low	61.6	Low	103 Å²	103	88.9 Å²	88.9	45%	0.452	43%	0.433	S	S	.	.	H	α-helix	trans	-71.4	-49.1	172.5	180	-100.6	0	0	0	110.5	F130 F131 Q132 S136 R137 F138	F130-F134 PolarHBondContact O-N 3.33Å; F131-F134 WeakPolarHBondContact O-CB 3.3Å; F131-F134 PolarHBondContact O-N 3.11Å; Q132-F134 VanDerWaalsContact C-N 3.33Å; F134-S136 VanDerWaalsContact C-N 3.31Å; F134-S136 PolarHBondContact O-N 2.9Å; F134-R137 WeakPolarHBondContact O-CB 3.26Å; F134-R137 PolarHBondContact O-N 2.65Å; F134-F138 AromaticContact CD1-CE2 3.86Å; F134-F138 HydrophobicContact CD1-CE2 3.86Å; F134-F138 HydrophobicContact CD2-CE2 4.43Å; F134-F138 HydrophobicContact CE1-CD2 4.5Å; F134-F138 AromaticContact CE1-CE2 3.47Å; F134-F138 HydrophobicContact CE1-CE2 3.47Å; F134-F138 VanDerWaalsContact CE1-CE2 3.47Å; F134-F138 AromaticContact CE1-CZ 4Å; F134-F138 HydrophobicContact CE1-CZ 4Å; F134-F138 HydrophobicContact CE2-CE2 4.08Å; F134-F138 HydrophobicContact CE2-CZ 4.29Å; F134-F138 HydrophobicContact CG-CE2 4.34Å; F134-F138 AromaticContact CZ-CE2 3.59Å; F134-F138 HydrophobicContact CZ-CE2 3.59Å; F134-F138 AromaticContact CZ-CZ 3.72Å; F134-F138 HydrophobicContact CZ-CZ 3.72Å; F134-F138 VanDerWaalsContact O-CD2 3.3Å; F134-F138 WeakPolarHBondContact O-CD2 3.15Å; F134-F138 WeakPolarHBondContact O-CE2 3.42Å
135	L	55	Low	62.9	Low	83 Å²	83	87.1 Å²	87.1	44%	0.435	42%	0.421	S	S	.	.	H	α-helix	trans	-60.2	-37	177.8	-71.8	177.2	0	0	0	113	F131 Q132 R137 F138	F131-L135 HydrophobicContact CD1-CD1 3.75Å; F131-L135 HydrophobicContact CD1-CG 4.34Å; F131-L135 HydrophobicContact CE1-CD1 3.49Å; F131-L135 VanDerWaalsContact CE1-CD1 3.49Å; F131-L135 HydrophobicContact CE1-CG 4.14Å; F131-L135 HydrophobicContact CZ-CD1 4.24Å; F131-L135 WeakPolarHBondContact O-CG 3.34Å; F131-L135 PolarHBondContact O-N 3.03Å; Q132-L135 PolarHBondContact O-N 2.91Å; L135-R137 PolarHBondContact O-N 2.9Å; L135-R137 VanDerWaalsContact O-N 3.09Å; L135-F138 PolarHBondContact O-N 2.94Å
136	S	58.3	Low	64.6	Low	15 Å²	15	85.7 Å²	85.7	11%	0.105	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.1	179.5	69.1	0	0	0	0	114.4	Q132 R133 F134	Q132-S136 WeakPolarHBondContact O-CB 3.37Å; Q132-S136 PolarHBondContact O-N 2.87Å; Q132-S136 PolarHBondContact O-OG 3.07Å; R133-S136 PolarHBondContact O-OG 2.85Å; R133-S136 VanDerWaalsContact O-OG 3.05Å; F134-S136 VanDerWaalsContact C-N 3.31Å; F134-S136 PolarHBondContact O-N 2.9Å
137	R	56	Low	66.4	Low	126 Å²	126	82 Å²	82	48%	0.475	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-20.2	172.6	-61.6	-177.2	-177.4	-155.6	0.3	112.7	F134 L135 I283	F134-R137 WeakPolarHBondContact O-CB 3.26Å; F134-R137 PolarHBondContact O-N 2.65Å; L135-R137 PolarHBondContact O-N 2.9Å; L135-R137 VanDerWaalsContact O-N 3.09Å; R137-I283 WeakPolarHBondContact O-CG1 3.37Å
138	F	54.7	Low	68.2	Low	117 Å²	117	77.6 Å²	77.6	51%	0.513	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-9.5	178.7	-56.3	-84.1	0	0	0	112.5	F134 L135 I283	F134-F138 AromaticContact CD1-CE2 3.86Å; F134-F138 HydrophobicContact CD1-CE2 3.86Å; F134-F138 HydrophobicContact CD2-CE2 4.43Å; F134-F138 HydrophobicContact CE1-CD2 4.5Å; F134-F138 AromaticContact CE1-CE2 3.47Å; F134-F138 HydrophobicContact CE1-CE2 3.47Å; F134-F138 VanDerWaalsContact CE1-CE2 3.47Å; F134-F138 AromaticContact CE1-CZ 4Å; F134-F138 HydrophobicContact CE1-CZ 4Å; F134-F138 HydrophobicContact CE2-CE2 4.08Å; F134-F138 HydrophobicContact CE2-CZ 4.29Å; F134-F138 HydrophobicContact CG-CE2 4.34Å; F134-F138 AromaticContact CZ-CE2 3.59Å; F134-F138 HydrophobicContact CZ-CE2 3.59Å; F134-F138 AromaticContact CZ-CZ 3.72Å; F134-F138 HydrophobicContact CZ-CZ 3.72Å; F134-F138 VanDerWaalsContact O-CD2 3.3Å; F134-F138 WeakPolarHBondContact O-CD2 3.15Å; F134-F138 WeakPolarHBondContact O-CE2 3.42Å; L135-F138 PolarHBondContact O-N 2.94Å; F138-I283 HydrophobicContact CD1-CD1 4.22Å; F138-I283 HydrophobicContact CE1-CD1 4.48Å
139	E	59.4	Low	69.8	Low	103 Å²	103	75.3 Å²	75.3	48%	0.481	35%	0.351	S	S	.	.	S	Bend	trans	-67	131.3	169.8	-71.2	170.7	-179.4	0	0	110.1	K128 K282	K128-E139 IonicContact NZ-OE1 3.67Å; K128-E139 IonicContact NZ-OE2 3.57Å; E139-K282 WeakPolarHBondContact O-CD 3.42Å; E139-K282 PolarHBondContact O-NZ 2.83Å
140	M	60.2	Low	71.4	Confident	171 Å²	171	71.6 Å²	71.6	84%	0.842	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-56.2	147.8	174	-70.3	-144.9	-67.7	0	0	110.7	E142 K282	M140-E142 PolarHBondContact O-N 3.04Å; M140-K282 PolarHBondContact O-NZ 3.18Å; M140-K282 VanDerWaalsContact O-NZ 3.15Å
141	M	69	Low	74	Confident	56 Å²	56	63.8 Å²	63.8	28%	0.276	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-75.8	123.9	178.4	-169.9	-173.9	62.5	0	0	109.1	K282 L288	M141-K282 HydrophobicContact CB-CD 4.35Å; M141-L288 HydrophobicContact CE-CD1 3.5Å; M141-L288 HydrophobicContact CE-CD2 3.51Å; M141-L288 HydrophobicContact CE-CG 3.81Å; M141-L288 HydrophobicContact SD-CD1 4.03Å; M141-L288 HydrophobicContact SD-CD2 4.05Å; M141-L288 HydrophobicContact SD-CG 4.01Å
142	E	80.3	Confident	76.5	Confident	117 Å²	117	57.3 Å²	57.3	55%	0.547	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-66.5	129.3	170.1	-66.7	-175	167.7	0	0	108.6	K106 M115 M140 T144	K106-E142 IonicContact NZ-OE2 3.79Å; K106-E142 PolarHBondContact NZ-OE2 3.36Å; M115-E142 HydrophobicContact CE-CB 3.72Å; M140-E142 PolarHBondContact O-N 3.04Å; E142-T144 PolarHBondContact O-N 2.86Å
143	P	87.4	Confident	78.8	Confident	54 Å²	54	57.3 Å²	57.3	35%	0.351	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-60	134.5	172.9	-20.5	31.5	0	0	0	110.4	M115 T164 N165 F166	M115-P143 WeakPolarHBondContact CE-O 3.44Å; P143-T164 HydrophobicContact CB-CG2 4.45Å; P143-N165 WeakPolarHBondContact CB-OD1 3.38Å; P143-F166 HydrophobicContact CB-CD2 4.27Å; P143-F166 HydrophobicContact CB-CE2 4.03Å; P143-F166 HydrophobicContact CG-CE2 4.42Å; P143-F166 WeakPolarHBondContact O-CE2 3.38Å
144	T	93.4	Very high	80.8	Confident	18 Å²	18	52.5 Å²	52.5	11%	0.11	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-62.7	146.1	175.3	-176	0	0	0	0	111.2	E117 E142 N146 T164	E117-T144 VanDerWaalsContact CD-OG1 3.27Å; E117-T144 PolarHBondContact OE1-OG1 3.25Å; E117-T144 VanDerWaalsContact OE1-OG1 3.09Å; E117-T144 WeakPolarHBondContact OE2-CB 3.28Å; E117-T144 VanDerWaalsContact OE2-CG2 3.31Å; E117-T144 WeakPolarHBondContact OE2-CG2 3.33Å; E117-T144 PolarHBondContact OE2-OG1 3.13Å; E142-T144 PolarHBondContact O-N 2.86Å; T144-N146 VanDerWaalsContact OG1-CB 3.3Å; T144-N146 WeakPolarHBondContact OG1-CB 3.41Å; T144-N146 PolarHBondContact OG1-N 2.88Å; T144-T164 HydrophobicContact CG2-CG2 3.74Å; T144-T164 WeakPolarHBondContact O-CB 3.47Å; T144-T164 WeakPolarHBondContact O-CG2 3.38Å; T144-T164 PolarHBondContact O-OG1 3.33Å
145	D	96.8	Very high	82.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.232	C	C	.	.			trans	-109.8	17.6	168.2	74.4	-23.7	0	0	0	112.1	S101 D102 A103 A147 F166 H168 K180	S101-D145 WeakPolarHBondContact CB-O 3.33Å; S101-D145 WeakPolarHBondContact CB-OD1 3.45Å; D102-D145 WeakPolarHBondContact CB-OD2 3.48Å; D102-D145 PolarHBondContact N-OD1 3.33Å; D102-D145 PolarHBondContact N-OD2 2.98Å; A103-D145 PolarHBondContact N-OD1 2.91Å; D145-A147 VanDerWaalsContact C-N 3.34Å; D145-A147 PolarHBondContact O-N 2.77Å; D145-F166 HydrophobicContact CB-CB 3.73Å; D145-F166 HydrophobicContact CB-CD2 4.05Å; D145-F166 HydrophobicContact CB-CG 4.08Å; D145-H168 PolarHBondContact O-CD2 2.95Å; D145-H168 PolarHBondContact O-NE2 2.61Å; D145-H168 IonicContact OD2-CE1 3.58Å; D145-H168 PolarHBondContact OD2-CE1 3.32Å; D145-H168 VanDerWaalsContact OD2-CE1 3.31Å; D145-H168 IonicContact OD2-NE2 3.45Å; D145-K180 VanDerWaalsContact CG-NZ 3.33Å; D145-K180 WeakPolarHBondContact OD2-CE 3.46Å; D145-K180 IonicContact OD2-NZ 2.94Å; D145-K180 PolarHBondContact OD2-NZ 3.29Å
146	N	97.9	Very high	84.7	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.011	23%	0.234	C	C	.	.			trans	-68.4	88.1	170.1	-177.4	27.3	0	0	0	110.8	D77 G78 M79 A80 A103 T144 S148 T162	D77-N146 PolarHBondContact O-ND2 3.32Å; G78-N146 PolarHBondContact O-ND2 3.09Å; M79-N146 HydrophobicContact CE-CB 3.96Å; M79-N146 VanDerWaalsContact CE-ND2 3.27Å; M79-N146 WeakPolarHBondContact CE-ND2 3.39Å; A80-N146 WeakPolarHBondContact CB-OD1 3.47Å; A80-N146 PolarHBondContact N-OD1 2.96Å; A103-N146 HydrophobicContact CB-CB 4.45Å; T144-N146 VanDerWaalsContact OG1-CB 3.3Å; T144-N146 WeakPolarHBondContact OG1-CB 3.41Å; T144-N146 PolarHBondContact OG1-N 2.88Å; N146-S148 VanDerWaalsContact C-N 3.32Å; N146-S148 PolarHBondContact O-N 2.73Å; N146-T162 VanDerWaalsContact O-CB 3.29Å; N146-T162 WeakPolarHBondContact O-CB 3.4Å; N146-T162 WeakPolarHBondContact O-CG2 3.44Å
147	A	97.8	Very high	86.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.			trans	-84.7	68.1	-177.7	0	0	0	0	0	112.3	N60 A80 L99 D145 V160	N60-A147 PolarHBondContact ND2-O 3.13Å; A80-A147 WeakPolarHBondContact CB-O 3.28Å; L99-A147 HydrophobicContact CD2-CB 3.77Å; D145-A147 VanDerWaalsContact C-N 3.34Å; D145-A147 PolarHBondContact O-N 2.77Å; A147-V160 HydrophobicContact CB-CB 4.2Å; A147-V160 HydrophobicContact CB-CG2 3.85Å; A147-V160 WeakPolarHBondContact CB-O 3.42Å
148	S	97.2	Very high	88.4	Confident	1 Å²	1	43 Å²	43	1%	0.007	22%	0.221	C	C	.	.			trans	-91.7	0.7	-173.2	58.8	0	0	0	0	115.2	G61 N146 F541	G61-S148 VanDerWaalsContact CA-O 3.24Å; G61-S148 WeakPolarHBondContact CA-O 3.34Å; G61-S148 PolarHBondContact N-O 3.45Å; N146-S148 VanDerWaalsContact C-N 3.32Å; N146-S148 PolarHBondContact O-N 2.73Å; S148-F541 WeakPolarHBondContact O-CD2 3.17Å
149	V	97.1	Very high	90.5	Very high	15 Å²	15	37.5 Å²	37.5	9%	0.091	20%	0.196	C	C	.	.	S	Bend	trans	-90.7	-66	-167.9	-175.7	0	0	0	0	112.3	S161 A194 H542	V149-S161 WeakPolarHBondContact CB-O 3.29Å; V149-S161 PolarHBondContact N-O 3.02Å; V149-S161 VanDerWaalsContact N-O 3.16Å; V149-A194 HydrophobicContact CB-CB 3.82Å; V149-A194 HydrophobicContact CG1-CB 3.56Å; V149-H542 PolarHBondContact O-CD2 3.47Å; V149-H542 PolarHBondContact O-N 2.93Å
150	S	97.6	Very high	92.3	Very high	11 Å²	11	32.6 Å²	32.6	8%	0.077	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	157.1	-167.6	-169.8	0	0	0	0	113.6	V160 S161 A194	S150-V160 VanDerWaalsContact O-CA 3.3Å; S150-V160 WeakPolarHBondContact O-CA 3.32Å; S150-S161 PolarHBondContact N-O 2.9Å; S150-S161 PolarHBondContact O-N 3.22Å; S150-A194 WeakPolarHBondContact CB-O 3.29Å
151	F	97.9	Very high	94.1	Very high	13 Å²	13	24.5 Å²	24.5	6%	0.057	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127.9	161.4	-80.2	-94.4	0	0	0	109.2	L58 N60 L82 Y158 Y159 V160 V170 A544	L58-F151 HydrophobicContact CB-CD1 4.44Å; L58-F151 HydrophobicContact CB-CD2 4.03Å; L58-F151 HydrophobicContact CB-CE1 4.2Å; L58-F151 HydrophobicContact CB-CE2 3.78Å; L58-F151 HydrophobicContact CB-CG 4.35Å; L58-F151 HydrophobicContact CB-CZ 3.87Å; L58-F151 HydrophobicContact CD1-CD1 4.03Å; L58-F151 HydrophobicContact CD1-CE1 3.89Å; L58-F151 HydrophobicContact CD1-CZ 4.36Å; N60-F151 HydrophobicContact CB-CD2 3.98Å; N60-F151 HydrophobicContact CB-CE2 3.84Å; L82-F151 HydrophobicContact CB-CZ 4.37Å; L82-F151 HydrophobicContact CD1-CZ 4.46Å; L82-F151 HydrophobicContact CD2-CE2 4.25Å; L82-F151 HydrophobicContact CD2-CZ 3.97Å; F151-Y158 HydrophobicContact CD1-CD1 4.47Å; F151-Y159 CarbonylContact C-O 3.48Å; F151-Y159 VanDerWaalsContact CA-O 3.32Å; F151-Y159 WeakPolarHBondContact CA-O 3.36Å; F151-V160 HydrophobicContact CD1-CG1 3.81Å; F151-V160 HydrophobicContact CD2-CG1 4.27Å; F151-V160 HydrophobicContact CE1-CG1 3.7Å; F151-V160 HydrophobicContact CE2-CG1 4.15Å; F151-V160 HydrophobicContact CG-CG1 4.1Å; F151-V160 HydrophobicContact CZ-CG1 3.87Å; F151-V170 HydrophobicContact CD1-CG2 4.21Å; F151-V170 HydrophobicContact CE1-CG2 3.76Å; F151-A544 HydrophobicContact CB-CB 4.01Å
152	V	97.6	Very high	95.4	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.024	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	150.2	178.3	-57.1	0	0	0	0	110.2	Y154 Y159 A194 P196	V152-Y154 HydrophobicContact CB-CE2 4.25Å; V152-Y154 HydrophobicContact CG2-CD2 4.16Å; V152-Y154 HydrophobicContact CG2-CE2 3.64Å; V152-Y159 PolarHBondContact N-O 3.07Å; V152-Y159 PolarHBondContact O-N 2.95Å; V152-A194 WeakPolarHBondContact CG1-O 3.31Å; V152-P196 HydrophobicContact CB-CG 3.85Å; V152-P196 HydrophobicContact CG1-CG 3.76Å
153	K	96.2	Very high	96.1	Very high	91 Å²	91	20 Å²	20	40%	0.396	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.5	178.6	-164.6	169.2	-179	173.8	0	111	G156 D157 Y198	K153-G156 VanDerWaalsContact CE-CA 3.45Å; K153-G156 WeakPolarHBondContact CE-O 3.21Å; K153-D157 VanDerWaalsContact CA-O 3.26Å; K153-D157 WeakPolarHBondContact CA-O 3.39Å; K153-Y198 WeakPolarHBondContact CA-OH 3.14Å; K153-Y198 HydrophobicContact CB-CE1 4.27Å; K153-Y198 PolarHBondContact N-OH 3.13Å; K153-Y198 WeakPolarHBondContact O-CE1 3.28Å; K153-Y198 PolarHBondContact O-OH 2.99Å
154	Y	97.3	Very high	96.5	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.008	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	132	165.7	-66.7	-76.6	0	0	0	108.6	V152 G156 D157 Y159 M167 W183 P196 A204 N206 V223 L234	V152-Y154 HydrophobicContact CB-CE2 4.25Å; V152-Y154 HydrophobicContact CG2-CD2 4.16Å; V152-Y154 HydrophobicContact CG2-CE2 3.64Å; Y154-G156 PolarHBondContact O-N 3.26Å; Y154-D157 PolarHBondContact N-O 3.49Å; Y154-D157 PolarHBondContact O-N 3.06Å; Y154-Y159 AromaticContact CD2-CD2 3.92Å; Y154-Y159 HydrophobicContact CD2-CD2 3.92Å; Y154-Y159 HydrophobicContact CD2-CE2 4.24Å; Y154-M167 HydrophobicContact CD2-CE 4.17Å; Y154-M167 HydrophobicContact CD2-SD 4.07Å; Y154-M167 HydrophobicContact CE2-SD 3.95Å; Y154-W183 AromaticContact CE1-CH2 3.89Å; Y154-W183 HydrophobicContact CE1-CH2 3.89Å; Y154-W183 HydrophobicContact CE1-CZ2 4.12Å; Y154-W183 HydrophobicContact CE2-CH2 4.42Å; Y154-W183 AromaticContact CE2-CZ2 3.87Å; Y154-W183 HydrophobicContact CE2-CZ2 3.87Å; Y154-W183 AromaticContact CZ-CH2 3.82Å; Y154-W183 AromaticContact CZ-CZ2 3.56Å; Y154-W183 WeakPolarHBondContact OH-CZ2 3.46Å; Y154-P196 HydrophobicContact CE1-CB 4.48Å; Y154-P196 WeakPolarHBondContact OH-CB 3.23Å; Y154-A204 HydrophobicContact CD1-CB 3.62Å; Y154-A204 HydrophobicContact CE1-CB 3.61Å; Y154-N206 PolarHBondContact OH-ND2 3.11Å; Y154-V223 HydrophobicContact CD1-CB 4.04Å; Y154-V223 HydrophobicContact CD1-CG1 4.15Å; Y154-V223 HydrophobicContact CD1-CG2 3.92Å; Y154-V223 HydrophobicContact CE1-CB 4.44Å; Y154-V223 HydrophobicContact CE1-CG2 3.94Å; Y154-L234 HydrophobicContact CD1-CD2 4.14Å; Y154-L234 HydrophobicContact CD2-CD2 4.22Å; Y154-L234 HydrophobicContact CG-CD2 3.93Å
155	K	94.7	Very high	96.5	Very high	17 Å²	17	18.3 Å²	18.3	7%	0.074	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	34.3	-179.9	-57.2	-174.2	-178.5	-70.9	0	114.4	D157 P224 P225 E226 K227 D232 T233 Q235	K155-D157 VanDerWaalsContact C-N 3.33Å; K155-D157 PolarHBondContact O-N 2.77Å; K155-P224 WeakPolarHBondContact CG-O 3.37Å; K155-P224 PolarHBondContact NZ-O 3.45Å; K155-P225 WeakPolarHBondContact CA-O 3.19Å; K155-E226 PolarHBondContact NZ-O 3.01Å; K155-K227 HydrophobicContact CB-CG 3.8Å; K155-K227 HydrophobicContact CD-CG 4.02Å; K155-K227 WeakPolarHBondContact O-CE 3.24Å; K155-D232 HydrophobicContact CD-CB 4.07Å; K155-T233 WeakPolarHBondContact CD-O 3.46Å; K155-T233 WeakPolarHBondContact CE-O 3.41Å; K155-Q235 WeakPolarHBondContact CE-O 3.44Å; K155-Q235 PolarHBondContact NZ-O 2.78Å
156	G	92	Very high	96.5	Very high	46 Å²	46	19.8 Å²	19.8	47%	0.474	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-19.2	-177.9	0	0	0	0	0	115.9	K153 Y154	K153-G156 VanDerWaalsContact CE-CA 3.45Å; K153-G156 WeakPolarHBondContact CE-O 3.21Å; Y154-G156 PolarHBondContact O-N 3.26Å
157	D	95	Very high	96.5	Very high	29 Å²	29	19.7 Å²	19.7	16%	0.155	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	151.4	-178	-67.6	-26	0	0	0	112.4	K153 Y154 K155 Y159 K169 K227	K153-D157 VanDerWaalsContact CA-O 3.26Å; K153-D157 WeakPolarHBondContact CA-O 3.39Å; Y154-D157 PolarHBondContact N-O 3.49Å; Y154-D157 PolarHBondContact O-N 3.06Å; K155-D157 VanDerWaalsContact C-N 3.33Å; K155-D157 PolarHBondContact O-N 2.77Å; D157-Y159 HydrophobicContact CB-CD2 4.49Å; D157-Y159 HydrophobicContact CB-CE2 3.67Å; D157-Y159 WeakPolarHBondContact O-CD2 3.4Å; D157-K169 IonicContact OD1-NZ 3.22Å; D157-K169 VanDerWaalsContact OD2-CE 3.25Å; D157-K169 WeakPolarHBondContact OD2-CE 3.49Å; D157-K169 IonicContact OD2-NZ 3.39Å; D157-K169 PolarHBondContact OD2-NZ 2.93Å; D157-K227 IonicContact OD1-NZ 2.65Å; D157-K227 PolarHBondContact OD1-NZ 3.29Å; D157-K227 VanDerWaalsContact OD2-CE 3.25Å; D157-K227 WeakPolarHBondContact OD2-CE 3.31Å; D157-K227 IonicContact OD2-NZ 2.82Å; D157-K227 PolarHBondContact OD2-NZ 3.27Å
158	Y	96.9	Very high	96.5	Very high	37 Å²	37	19.7 Å²	19.7	15%	0.145	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137.1	173.7	-71.1	-89.5	0	0	0	111.6	F151 V170 P172 S546	F151-Y158 HydrophobicContact CD1-CD1 4.47Å; Y158-V170 PolarHBondContact O-N 2.88Å; Y158-P172 HydrophobicContact CD2-CB 4.01Å; Y158-P172 HydrophobicContact CD2-CG 3.66Å; Y158-P172 HydrophobicContact CE2-CB 4.32Å; Y158-P172 HydrophobicContact CE2-CG 4.04Å; Y158-P172 HydrophobicContact CG-CB 4.33Å; Y158-P172 HydrophobicContact CG-CG 4.37Å; Y158-S546 WeakPolarHBondContact CE2-OG 3.39Å; Y158-S546 WeakPolarHBondContact OH-CA 3.46Å; Y158-S546 WeakPolarHBondContact OH-CB 3.19Å; Y158-S546 PolarHBondContact OH-OG 3.26Å
159	Y	98.3	Very high	96.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.9	173.3	-58	-98.1	0	0	0	108.9	F151 V152 Y154 D157 M167 H168 K169 V181 T233	F151-Y159 CarbonylContact C-O 3.48Å; F151-Y159 VanDerWaalsContact CA-O 3.32Å; F151-Y159 WeakPolarHBondContact CA-O 3.36Å; V152-Y159 PolarHBondContact N-O 3.07Å; V152-Y159 PolarHBondContact O-N 2.95Å; Y154-Y159 AromaticContact CD2-CD2 3.92Å; Y154-Y159 HydrophobicContact CD2-CD2 3.92Å; Y154-Y159 HydrophobicContact CD2-CE2 4.24Å; D157-Y159 HydrophobicContact CB-CD2 4.49Å; D157-Y159 HydrophobicContact CB-CE2 3.67Å; D157-Y159 WeakPolarHBondContact O-CD2 3.4Å; Y159-M167 HydrophobicContact CD1-CE 3.6Å; Y159-M167 HydrophobicContact CD1-CG 4.1Å; Y159-M167 HydrophobicContact CD1-SD 3.93Å; Y159-M167 HydrophobicContact CE1-CE 3.66Å; Y159-M167 HydrophobicContact CG-CE 4.08Å; Y159-M167 HydrophobicContact CG-SD 4.03Å; Y159-H168 CarbonylContact C-O 3.53Å; Y159-H168 WeakPolarHBondContact CA-O 3.45Å; Y159-K169 VanDerWaalsContact CD1-CA 3.45Å; Y159-K169 HydrophobicContact CD1-CB 3.74Å; Y159-K169 HydrophobicContact CD1-CG 4.31Å; Y159-K169 HydrophobicContact CE1-CB 3.53Å; Y159-K169 HydrophobicContact CE1-CD 4.2Å; Y159-K169 HydrophobicContact CE1-CG 3.89Å; Y159-V181 HydrophobicContact CD1-CG2 4.39Å; Y159-V181 HydrophobicContact CE1-CG2 3.85Å; Y159-T233 WeakPolarHBondContact OH-CA 3.28Å; Y159-T233 WeakPolarHBondContact OH-CB 3.36Å
160	V	98.5	Very high	96.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.4	160.9	-67.6	0	0	0	0	110.1	L82 L99 A147 S150 F151 M167 H168 V170	L82-V160 HydrophobicContact CD1-CG1 4.42Å; L82-V160 HydrophobicContact CD2-CB 4.43Å; L82-V160 HydrophobicContact CD2-CG1 3.6Å; L82-V160 HydrophobicContact CD2-CG2 4.49Å; L99-V160 HydrophobicContact CD1-CG2 3.86Å; L99-V160 HydrophobicContact CD2-CG2 3.89Å; L99-V160 HydrophobicContact CG-CG2 4.49Å; A147-V160 HydrophobicContact CB-CB 4.2Å; A147-V160 HydrophobicContact CB-CG2 3.85Å; A147-V160 WeakPolarHBondContact CB-O 3.42Å; S150-V160 VanDerWaalsContact O-CA 3.3Å; S150-V160 WeakPolarHBondContact O-CA 3.32Å; F151-V160 HydrophobicContact CD1-CG1 3.81Å; F151-V160 HydrophobicContact CD2-CG1 4.27Å; F151-V160 HydrophobicContact CE1-CG1 3.7Å; F151-V160 HydrophobicContact CE2-CG1 4.15Å; F151-V160 HydrophobicContact CG-CG1 4.1Å; F151-V160 HydrophobicContact CZ-CG1 3.87Å; V160-M167 WeakPolarHBondContact O-CA 3.12Å; V160-M167 WeakPolarHBondContact O-CB 3.29Å; V160-H168 HydrophobicContact CG2-CB 3.98Å; V160-H168 PolarHBondContact N-O 3.07Å; V160-H168 PolarHBondContact O-N 3.2Å; V160-V170 HydrophobicContact CG1-CG1 4.41Å; V160-V170 HydrophobicContact CG1-CG2 4.11Å; V160-V170 HydrophobicContact CG2-CG1 3.95Å
161	S	97.5	Very high	96.5	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.007	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.7	-174.5	-158	0	0	0	0	112.1	V149 S150	V149-S161 WeakPolarHBondContact CB-O 3.29Å; V149-S161 PolarHBondContact N-O 3.02Å; V149-S161 VanDerWaalsContact N-O 3.16Å; S150-S161 PolarHBondContact N-O 2.9Å; S150-S161 PolarHBondContact O-N 3.22Å
162	T	96.2	Very high	96.4	Very high	21 Å²	21	22.6 Å²	22.6	13%	0.129	12%	0.123	C	C	.	.			trans	-114.9	-154.4	154.2	-176.4	0	0	0	0	107.4	N146 T164	N146-T162 VanDerWaalsContact O-CB 3.29Å; N146-T162 WeakPolarHBondContact O-CB 3.4Å; N146-T162 WeakPolarHBondContact O-CG2 3.44Å; T162-T164 HydrophobicContact CG2-CG2 4.11Å
163	E	95.6	Very high	96.3	Very high	58 Å²	58	26 Å²	26	27%	0.271	14%	0.138	S	C	.	.	S	Bend	trans	-104.5	14.6	-178.7	-58.6	-169.6	144.7	0	0	114.2	A192 Y253 H255	E163-A192 WeakPolarHBondContact CA-O 3.21Å; E163-Y253 PolarHBondContact OE1-OH 2.9Å; E163-Y253 VanDerWaalsContact OE2-CE2 3.22Å; E163-Y253 WeakPolarHBondContact OE2-CE2 3.38Å; E163-Y253 PolarHBondContact OE2-OH 3.21Å; E163-H255 IonicContact OE1-CE1 3.13Å; E163-H255 IonicContact OE1-CG 2.81Å; E163-H255 IonicContact OE1-ND1 3.39Å; E163-H255 PolarHBondContact OE1-ND1 3.45Å
164	T	94.4	Very high	96.3	Very high	24 Å²	24	23.6 Å²	23.6	15%	0.147	13%	0.13	C	C	.	.	S	Bend	trans	-93.2	-175.2	174.4	71.2	0	0	0	0	111.2	P143 T144 T162 F166 G191 A192	P143-T164 HydrophobicContact CB-CG2 4.45Å; T144-T164 HydrophobicContact CG2-CG2 3.74Å; T144-T164 WeakPolarHBondContact O-CB 3.47Å; T144-T164 WeakPolarHBondContact O-CG2 3.38Å; T144-T164 PolarHBondContact O-OG1 3.33Å; T162-T164 HydrophobicContact CG2-CG2 4.11Å; T164-F166 PolarHBondContact O-N 2.88Å; T164-F166 PolarHBondContact OG1-N 2.98Å; T164-G191 VanDerWaalsContact C-CA 3.46Å; T164-G191 WeakPolarHBondContact O-CA 3.36Å; T164-A192 PolarHBondContact O-N 2.88Å
165	N	94.1	Very high	96.3	Very high	12 Å²	12	23.8 Å²	23.8	6%	0.064	13%	0.131	C	C	.	.	S	Bend	trans	-76.2	-6.1	175	62.6	-61.3	0	0	0	113.2	P143 D182 W183 N190	P143-N165 WeakPolarHBondContact CB-OD1 3.38Å; N165-D182 PolarHBondContact ND2-OD1 2.7Å; N165-D182 WeakPolarHBondContact O-CA 3.31Å; N165-W183 HydrophobicContact CB-CB 4.38Å; N165-W183 PolarHBondContact O-N 2.79Å; N165-N190 PolarHBondContact N-O 3.26Å
166	F	97.4	Very high	96.4	Very high	32 Å²	32	27.2 Å²	27.2	14%	0.14	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135.2	-178.1	-61.2	-59.5	0	0	0	112.1	P143 D145 T164 K180 V181 D182	P143-F166 HydrophobicContact CB-CD2 4.27Å; P143-F166 HydrophobicContact CB-CE2 4.03Å; P143-F166 HydrophobicContact CG-CE2 4.42Å; P143-F166 WeakPolarHBondContact O-CE2 3.38Å; D145-F166 HydrophobicContact CB-CB 3.73Å; D145-F166 HydrophobicContact CB-CD2 4.05Å; D145-F166 HydrophobicContact CB-CG 4.08Å; T164-F166 PolarHBondContact O-N 2.88Å; T164-F166 PolarHBondContact OG1-N 2.98Å; F166-K180 HydrophobicContact CD1-CG 4.49Å; F166-V181 WeakPolarHBondContact CA-O 3.21Å; F166-D182 HydrophobicContact CD1-CB 3.87Å; F166-D182 HydrophobicContact CE1-CB 3.76Å
167	M	97.4	Very high	96.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	164.2	168.4	66.1	179.9	-170.1	0	0	109.3	Y154 Y159 V160 V181 W183 L234	Y154-M167 HydrophobicContact CD2-CE 4.17Å; Y154-M167 HydrophobicContact CD2-SD 4.07Å; Y154-M167 HydrophobicContact CE2-SD 3.95Å; Y159-M167 HydrophobicContact CD1-CE 3.6Å; Y159-M167 HydrophobicContact CD1-CG 4.1Å; Y159-M167 HydrophobicContact CD1-SD 3.93Å; Y159-M167 HydrophobicContact CE1-CE 3.66Å; Y159-M167 HydrophobicContact CG-CE 4.08Å; Y159-M167 HydrophobicContact CG-SD 4.03Å; V160-M167 WeakPolarHBondContact O-CA 3.12Å; V160-M167 WeakPolarHBondContact O-CB 3.29Å; M167-V181 HydrophobicContact CE-CB 3.76Å; M167-V181 HydrophobicContact CE-CG1 3.55Å; M167-V181 HydrophobicContact CE-CG2 4.29Å; M167-V181 HydrophobicContact CG-CB 3.88Å; M167-V181 HydrophobicContact CG-CG1 4.47Å; M167-V181 PolarHBondContact N-O 3.22Å; M167-V181 PolarHBondContact O-N 2.87Å; M167-W183 HydrophobicContact SD-CZ2 4.38Å; M167-L234 HydrophobicContact CE-CD1 3.59Å; M167-L234 HydrophobicContact CE-CD2 3.75Å; M167-L234 HydrophobicContact CE-CG 3.61Å
168	H	98.4	Very high	96.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124	-178.9	-60.9	-94.1	0	0	0	110.5	L99 D145 Y159 V160 M177 E179	L99-H168 HydrophobicContact CD1-CB 3.98Å; D145-H168 PolarHBondContact O-CD2 2.95Å; D145-H168 PolarHBondContact O-NE2 2.61Å; D145-H168 IonicContact OD2-CE1 3.58Å; D145-H168 PolarHBondContact OD2-CE1 3.32Å; D145-H168 VanDerWaalsContact OD2-CE1 3.31Å; D145-H168 IonicContact OD2-NE2 3.45Å; Y159-H168 CarbonylContact C-O 3.53Å; Y159-H168 WeakPolarHBondContact CA-O 3.45Å; V160-H168 HydrophobicContact CG2-CB 3.98Å; V160-H168 PolarHBondContact N-O 3.07Å; V160-H168 PolarHBondContact O-N 3.2Å; H168-M177 HydrophobicContact CB-CG 4.3Å; H168-M177 WeakPolarHBondContact ND1-CE 3.48Å; H168-E179 CarbonylContact C-O 3.5Å; H168-E179 WeakPolarHBondContact CA-O 3.45Å
169	K	97.9	Very high	96.7	Very high	28 Å²	28	32.9 Å²	32.9	12%	0.122	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	131.1	170	-170.7	171.3	170.1	165.3	0	108.5	D157 Y159 L178 E179	D157-K169 IonicContact OD1-NZ 3.22Å; D157-K169 VanDerWaalsContact OD2-CE 3.25Å; D157-K169 WeakPolarHBondContact OD2-CE 3.49Å; D157-K169 IonicContact OD2-NZ 3.39Å; D157-K169 PolarHBondContact OD2-NZ 2.93Å; Y159-K169 VanDerWaalsContact CD1-CA 3.45Å; Y159-K169 HydrophobicContact CD1-CB 3.74Å; Y159-K169 HydrophobicContact CD1-CG 4.31Å; Y159-K169 HydrophobicContact CE1-CB 3.53Å; Y159-K169 HydrophobicContact CE1-CD 4.2Å; Y159-K169 HydrophobicContact CE1-CG 3.89Å; K169-L178 HydrophobicContact CB-CB 4.39Å; K169-L178 HydrophobicContact CG-CB 4.36Å; K169-L178 HydrophobicContact CG-CD1 4.3Å; K169-L178 PolarHBondContact O-N 2.6Å; K169-E179 HydrophobicContact CB-CB 4.13Å; K169-E179 PolarHBondContact N-O 2.72Å; K169-E179 PolarHBondContact O-N 2.83Å
170	V	97.8	Very high	96.6	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.024	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.6	-177.4	-65.9	0	0	0	0	110.7	L82 L99 F151 Y158 V160 P172 E176	L82-V170 HydrophobicContact CD1-CB 4.48Å; L82-V170 HydrophobicContact CD1-CG1 3.95Å; L99-V170 HydrophobicContact CD1-CG1 4.34Å; F151-V170 HydrophobicContact CD1-CG2 4.21Å; F151-V170 HydrophobicContact CE1-CG2 3.76Å; Y158-V170 PolarHBondContact O-N 2.88Å; V160-V170 HydrophobicContact CG1-CG1 4.41Å; V160-V170 HydrophobicContact CG1-CG2 4.11Å; V160-V170 HydrophobicContact CG2-CG1 3.95Å; V170-P172 WeakPolarHBondContact O-CD 3.41Å; V170-E176 VanDerWaalsContact CA-O 3.31Å; V170-E176 WeakPolarHBondContact CA-O 3.49Å
171	N	96.6	Very high	96.6	Very high	47 Å²	47	35.8 Å²	35.8	25%	0.251	18%	0.178	S	C	.	.			trans	-87.3	115.7	172.2	177.4	-5.8	0	0	0	109.7	E173 N174 L175 E176 L178	N171-E173 PolarHBondContact O-N 2.86Å; N171-E173 WeakPolarHBondContact OD1-CB 3.24Å; N171-E173 PolarHBondContact OD1-N 2.93Å; N171-N174 WeakPolarHBondContact CB-OD1 3.24Å; N171-N174 VanDerWaalsContact CG-OD1 3.27Å; N171-N174 PolarHBondContact ND2-ND2 2.99Å; N171-N174 PolarHBondContact ND2-OD1 2.9Å; N171-N174 PolarHBondContact O-N 2.87Å; N171-L175 VanDerWaalsContact O-CA 3.29Å; N171-L175 WeakPolarHBondContact O-CA 3.42Å; N171-L175 PolarHBondContact O-N 3.08Å; N171-E176 PolarHBondContact N-O 2.86Å; N171-L178 HydrophobicContact CB-CD1 4.19Å; N171-L178 HydrophobicContact CB-CD2 4.36Å; N171-L178 HydrophobicContact CB-CG 4.37Å
172	P	95.7	Very high	96.6	Very high	22 Å²	22	36.7 Å²	36.7	14%	0.143	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.5	-178	30.7	-38.3	0	0	0	113.5	L58 Q84 Y158 V170	L58-P172 HydrophobicContact CD1-CB 3.67Å; Q84-P172 PolarHBondContact NE2-O 3.28Å; Y158-P172 HydrophobicContact CD2-CB 4.01Å; Y158-P172 HydrophobicContact CD2-CG 3.66Å; Y158-P172 HydrophobicContact CE2-CB 4.32Å; Y158-P172 HydrophobicContact CE2-CG 4.04Å; Y158-P172 HydrophobicContact CG-CB 4.33Å; Y158-P172 HydrophobicContact CG-CG 4.37Å; V170-P172 WeakPolarHBondContact O-CD 3.41Å
173	E	95.3	Very high	96.5	Very high	74 Å²	74	35.7 Å²	35.7	35%	0.346	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-30.5	178.8	-71.2	-62.1	138.3	0	0	113	N56 Q84 K86 K95 N171	N56-E173 VanDerWaalsContact ND2-CD 3.34Å; N56-E173 PolarHBondContact ND2-OE1 2.95Å; Q84-E173 PolarHBondContact NE2-O 3.38Å; K86-E173 IonicContact NZ-OE2 2.7Å; K86-E173 PolarHBondContact NZ-OE2 2.81Å; K86-E173 VanDerWaalsContact NZ-OE2 3.08Å; K95-E173 PolarHBondContact NZ-O 3.12Å; N171-E173 PolarHBondContact O-N 2.86Å; N171-E173 WeakPolarHBondContact OD1-CB 3.24Å; N171-E173 PolarHBondContact OD1-N 2.93Å
174	N	94.9	Very high	96.5	Very high	41 Å²	41	36 Å²	36	22%	0.219	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-3.3	-174.9	72.3	5.1	0	0	0	115.3	K95 R97 N171 E176	K95-N174 VanDerWaalsContact CE-C 3.45Å; K95-N174 VanDerWaalsContact CE-CA 3.42Å; K95-N174 WeakPolarHBondContact CE-O 3.41Å; R97-N174 PolarHBondContact NE-O 3.43Å; N171-N174 WeakPolarHBondContact CB-OD1 3.24Å; N171-N174 VanDerWaalsContact CG-OD1 3.27Å; N171-N174 PolarHBondContact ND2-ND2 2.99Å; N171-N174 PolarHBondContact ND2-OD1 2.9Å; N171-N174 PolarHBondContact O-N 2.87Å; N174-E176 PolarHBondContact ND2-OE2 2.83Å; N174-E176 PolarHBondContact O-N 2.81Å; N174-E176 VanDerWaalsContact OD1-CB 3.3Å; N174-E176 WeakPolarHBondContact OD1-CB 3.17Å; N174-E176 WeakPolarHBondContact OD1-CG 2.98Å; N174-E176 PolarHBondContact OD1-N 2.87Å
175	L	97.7	Very high	96.5	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	21%	0.211	C	C	.	.			trans	64.6	14.1	-177.5	-52.7	177.9	0	0	0	114.7	L58 L82 Q84 K95 R97 N171	L58-L175 HydrophobicContact CD2-CD2 3.94Å; L82-L175 HydrophobicContact CB-CB 4.27Å; L82-L175 HydrophobicContact CB-CD1 4.08Å; L82-L175 HydrophobicContact CB-CD2 4.04Å; L82-L175 HydrophobicContact CB-CG 4.37Å; L82-L175 HydrophobicContact CD1-CB 4.4Å; L82-L175 WeakPolarHBondContact O-CD1 3.31Å; Q84-L175 HydrophobicContact CB-CD1 3.86Å; Q84-L175 HydrophobicContact CB-CD2 4.04Å; Q84-L175 HydrophobicContact CB-CG 4.07Å; K95-L175 HydrophobicContact CD-CD1 4.38Å; K95-L175 HydrophobicContact CG-CD1 4.15Å; R97-L175 HydrophobicContact CB-CB 4.25Å; R97-L175 HydrophobicContact CG-CB 4.3Å; N171-L175 VanDerWaalsContact O-CA 3.29Å; N171-L175 WeakPolarHBondContact O-CA 3.42Å; N171-L175 PolarHBondContact O-N 3.08Å
176	E	97	Very high	96.6	Very high	89 Å²	89	44.8 Å²	44.8	42%	0.416	22%	0.221	S	C	.	.			trans	-72	135.1	176.6	-70.2	176.5	165.1	0	0	111.2	V170 N171 N174 L178	V170-E176 VanDerWaalsContact CA-O 3.31Å; V170-E176 WeakPolarHBondContact CA-O 3.49Å; N171-E176 PolarHBondContact N-O 2.86Å; N174-E176 PolarHBondContact ND2-OE2 2.83Å; N174-E176 PolarHBondContact O-N 2.81Å; N174-E176 VanDerWaalsContact OD1-CB 3.3Å; N174-E176 WeakPolarHBondContact OD1-CB 3.17Å; N174-E176 WeakPolarHBondContact OD1-CG 2.98Å; N174-E176 PolarHBondContact OD1-N 2.87Å; E176-L178 PolarHBondContact O-N 2.83Å
177	M	96.9	Very high	96.5	Very high	50 Å²	50	44.1 Å²	44.1	25%	0.246	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	124.6	166.3	177.5	-165.7	164	0	0	109.2	L99 Q100 H168 K180	L99-M177 HydrophobicContact CD1-CB 4.18Å; L99-M177 HydrophobicContact CD1-CG 4.32Å; Q100-M177 HydrophobicContact CB-SD 4.21Å; H168-M177 HydrophobicContact CB-CG 4.3Å; H168-M177 WeakPolarHBondContact ND1-CE 3.48Å; M177-K180 HydrophobicContact CE-CB 3.88Å
178	L	96.6	Very high	96.2	Very high	96 Å²	96	48 Å²	48	50%	0.503	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-47.2	-179.7	-57.8	-178.9	0	0	0	112.1	K169 N171 E176	K169-L178 HydrophobicContact CB-CB 4.39Å; K169-L178 HydrophobicContact CG-CB 4.36Å; K169-L178 HydrophobicContact CG-CD1 4.3Å; K169-L178 PolarHBondContact O-N 2.6Å; N171-L178 HydrophobicContact CB-CD1 4.19Å; N171-L178 HydrophobicContact CB-CD2 4.36Å; N171-L178 HydrophobicContact CB-CG 4.37Å; E176-L178 PolarHBondContact O-N 2.83Å
179	E	96.3	Very high	95.9	Very high	86 Å²	86	48.1 Å²	48.1	40%	0.402	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	138.7	-172.2	-174.8	178.4	-176.2	0	0	111.3	H168 K169 V181	H168-E179 CarbonylContact C-O 3.5Å; H168-E179 WeakPolarHBondContact CA-O 3.45Å; K169-E179 HydrophobicContact CB-CB 4.13Å; K169-E179 PolarHBondContact N-O 2.72Å; K169-E179 PolarHBondContact O-N 2.83Å; E179-V181 HydrophobicContact CG-CG2 4.28Å
180	K	97.5	Very high	95.5	Very high	56 Å²	56	50.6 Å²	50.6	24%	0.243	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.1	167.3	178	174.1	177.2	163.9	0	109.7	D102 D145 F166 M177	D102-K180 IonicContact OD2-NZ 3.38Å; D102-K180 PolarHBondContact OD2-NZ 2.84Å; D145-K180 VanDerWaalsContact CG-NZ 3.33Å; D145-K180 WeakPolarHBondContact OD2-CE 3.46Å; D145-K180 IonicContact OD2-NZ 2.94Å; D145-K180 PolarHBondContact OD2-NZ 3.29Å; F166-K180 HydrophobicContact CD1-CG 4.49Å; M177-K180 HydrophobicContact CE-CB 3.88Å
181	V	97.3	Very high	95.2	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.024	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.6	-179.5	-174.1	0	0	0	0	110	Y159 F166 M167 E179 F186 T233 L234	Y159-V181 HydrophobicContact CD1-CG2 4.39Å; Y159-V181 HydrophobicContact CE1-CG2 3.85Å; F166-V181 WeakPolarHBondContact CA-O 3.21Å; M167-V181 HydrophobicContact CE-CB 3.76Å; M167-V181 HydrophobicContact CE-CG1 3.55Å; M167-V181 HydrophobicContact CE-CG2 4.29Å; M167-V181 HydrophobicContact CG-CB 3.88Å; M167-V181 HydrophobicContact CG-CG1 4.47Å; M167-V181 PolarHBondContact N-O 3.22Å; M167-V181 PolarHBondContact O-N 2.87Å; E179-V181 HydrophobicContact CG-CG2 4.28Å; V181-F186 HydrophobicContact CG1-CE2 3.85Å; V181-F186 HydrophobicContact CG1-CZ 4.49Å; V181-T233 HydrophobicContact CG2-CG2 3.91Å; V181-L234 HydrophobicContact CG1-CD1 3.88Å; V181-L234 HydrophobicContact CG1-CG 4.18Å
182	D	96.9	Very high	95.1	Very high	21 Å²	21	48.7 Å²	48.7	11%	0.112	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.7	-178.7	179	-3.4	0	0	0	109.7	N165 F166 S184 K185 F186	N165-D182 PolarHBondContact ND2-OD1 2.7Å; N165-D182 WeakPolarHBondContact O-CA 3.31Å; F166-D182 HydrophobicContact CD1-CB 3.87Å; F166-D182 HydrophobicContact CE1-CB 3.76Å; D182-S184 PolarHBondContact O-N 3.27Å; D182-S184 VanDerWaalsContact O-N 3.17Å; D182-S184 VanDerWaalsContact OD1-CB 3.31Å; D182-S184 WeakPolarHBondContact OD1-CB 3.4Å; D182-S184 PolarHBondContact OD1-N 3.3Å; D182-S184 PolarHBondContact OD1-OG 3.46Å; D182-S184 PolarHBondContact OD2-OG 2.86Å; D182-S184 VanDerWaalsContact OD2-OG 3.08Å; D182-K185 HydrophobicContact CB-CD 4.06Å; D182-K185 HydrophobicContact CB-CG 4.06Å; D182-K185 WeakPolarHBondContact O-CB 3.47Å; D182-K185 PolarHBondContact O-N 2.84Å; D182-K185 VanDerWaalsContact O-N 3.15Å; D182-F186 VanDerWaalsContact O-CD2 3.31Å; D182-F186 WeakPolarHBondContact O-CD2 3.18Å; D182-F186 WeakPolarHBondContact O-CE2 3.45Å
183	W	95.9	Very high	95.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-52.5	-35.8	178.3	-81.5	101.1	0	0	0	113	Y154 N165 M167 K185 F186 I187 V189 A192 I221 V223 L234 A237	Y154-W183 AromaticContact CE1-CH2 3.89Å; Y154-W183 HydrophobicContact CE1-CH2 3.89Å; Y154-W183 HydrophobicContact CE1-CZ2 4.12Å; Y154-W183 HydrophobicContact CE2-CH2 4.42Å; Y154-W183 AromaticContact CE2-CZ2 3.87Å; Y154-W183 HydrophobicContact CE2-CZ2 3.87Å; Y154-W183 AromaticContact CZ-CH2 3.82Å; Y154-W183 AromaticContact CZ-CZ2 3.56Å; Y154-W183 WeakPolarHBondContact OH-CZ2 3.46Å; N165-W183 HydrophobicContact CB-CB 4.38Å; N165-W183 PolarHBondContact O-N 2.79Å; M167-W183 HydrophobicContact SD-CZ2 4.38Å; W183-K185 PolarHBondContact O-N 3.01Å; W183-K185 VanDerWaalsContact O-N 3.16Å; W183-F186 PolarHBondContact O-N 3.28Å; W183-I187 HydrophobicContact CE3-CD1 3.86Å; W183-I187 HydrophobicContact CE3-CG1 4.12Å; W183-I187 HydrophobicContact CZ3-CD1 4.05Å; W183-I187 PolarHBondContact O-N 2.87Å; W183-I187 VanDerWaalsContact O-N 3.09Å; W183-V189 HydrophobicContact CB-CG2 3.67Å; W183-V189 HydrophobicContact CG-CG2 4.35Å; W183-A192 HydrophobicContact CD2-CB 4.26Å; W183-A192 HydrophobicContact CG-CB 4.42Å; W183-A192 HydrophobicContact CZ2-CB 4.3Å; W183-I221 HydrophobicContact CH2-CG2 4.18Å; W183-I221 HydrophobicContact CZ3-CG2 3.71Å; W183-V223 HydrophobicContact CH2-CG2 3.8Å; W183-V223 HydrophobicContact CZ3-CG2 4Å; W183-L234 HydrophobicContact CD2-CD1 3.55Å; W183-L234 HydrophobicContact CE3-CD1 3.49Å; W183-L234 VanDerWaalsContact CE3-CD1 3.49Å; W183-L234 HydrophobicContact CG-CD1 4.16Å; W183-L234 HydrophobicContact CH2-CD1 3.99Å; W183-L234 HydrophobicContact CH2-CD2 3.65Å; W183-L234 HydrophobicContact CH2-CG 4.46Å; W183-L234 HydrophobicContact CZ2-CD1 4.04Å; W183-L234 HydrophobicContact CZ2-CD2 4.05Å; W183-L234 HydrophobicContact CZ3-CD1 3.71Å; W183-L234 HydrophobicContact CZ3-CD2 3.93Å; W183-L234 HydrophobicContact CZ3-CG 4.37Å; W183-A237 HydrophobicContact CZ3-CB 4.46Å
184	S	93.9	Very high	95.3	Very high	64 Å²	64	44.3 Å²	44.3	45%	0.448	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-66.6	-17.9	-175.2	75.6	0	0	0	0	113.6	D182 F186 I187	D182-S184 PolarHBondContact O-N 3.27Å; D182-S184 VanDerWaalsContact O-N 3.17Å; D182-S184 VanDerWaalsContact OD1-CB 3.31Å; D182-S184 WeakPolarHBondContact OD1-CB 3.4Å; D182-S184 PolarHBondContact OD1-N 3.3Å; D182-S184 PolarHBondContact OD1-OG 3.46Å; D182-S184 PolarHBondContact OD2-OG 2.86Å; D182-S184 VanDerWaalsContact OD2-OG 3.08Å; S184-F186 VanDerWaalsContact C-N 3.29Å; S184-I187 WeakPolarHBondContact CA-O 3.47Å
185	K	95.9	Very high	95.5	Very high	159 Å²	159	43.9 Å²	43.9	69%	0.691	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-75.5	-16.6	174.3	-64	-178.3	-178.2	175.2	0	113.3	D182 W183	D182-K185 HydrophobicContact CB-CD 4.06Å; D182-K185 HydrophobicContact CB-CG 4.06Å; D182-K185 WeakPolarHBondContact O-CB 3.47Å; D182-K185 PolarHBondContact O-N 2.84Å; D182-K185 VanDerWaalsContact O-N 3.15Å; W183-K185 PolarHBondContact O-N 3.01Å; W183-K185 VanDerWaalsContact O-N 3.16Å
186	F	95.8	Very high	95.5	Very high	62 Å²	62	44.2 Å²	44.2	27%	0.272	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-42.3	-175.5	-57.8	-86.8	0	0	0	112.1	V181 D182 W183 S184 T233 L234 Q235 A237	V181-F186 HydrophobicContact CG1-CE2 3.85Å; V181-F186 HydrophobicContact CG1-CZ 4.49Å; D182-F186 VanDerWaalsContact O-CD2 3.31Å; D182-F186 WeakPolarHBondContact O-CD2 3.18Å; D182-F186 WeakPolarHBondContact O-CE2 3.45Å; W183-F186 PolarHBondContact O-N 3.28Å; S184-F186 VanDerWaalsContact C-N 3.29Å; F186-T233 WeakPolarHBondContact CZ-OG1 3.21Å; F186-L234 HydrophobicContact CB-CB 4.28Å; F186-L234 HydrophobicContact CD1-CB 3.84Å; F186-L234 HydrophobicContact CD2-CB 3.68Å; F186-L234 HydrophobicContact CD2-CD1 3.88Å; F186-L234 HydrophobicContact CD2-CG 4.36Å; F186-L234 HydrophobicContact CE1-CB 4.04Å; F186-L234 HydrophobicContact CE2-CB 3.9Å; F186-L234 HydrophobicContact CE2-CD1 4.18Å; F186-L234 HydrophobicContact CE2-CG 4.44Å; F186-L234 HydrophobicContact CG-CB 3.65Å; F186-L234 HydrophobicContact CZ-CB 4.07Å; F186-Q235 HydrophobicContact CE1-CG 4.36Å; F186-A237 HydrophobicContact CB-CB 4.44Å
187	I	95.1	Very high	95.6	Very high	17 Å²	17	41 Å²	41	9%	0.087	22%	0.22	C	C	.	.	S	Bend	trans	-143.6	153.9	-178.9	55.5	173.1	0	0	0	110.5	W183 S184 V189 I221 A237 V239	W183-I187 HydrophobicContact CE3-CD1 3.86Å; W183-I187 HydrophobicContact CE3-CG1 4.12Å; W183-I187 HydrophobicContact CZ3-CD1 4.05Å; W183-I187 PolarHBondContact O-N 2.87Å; W183-I187 VanDerWaalsContact O-N 3.09Å; S184-I187 WeakPolarHBondContact CA-O 3.47Å; I187-V189 VanDerWaalsContact C-N 3.29Å; I187-V189 HydrophobicContact CD1-CG1 4Å; I187-V189 HydrophobicContact CD1-CG2 4.18Å; I187-V189 HydrophobicContact CG1-CG1 4.17Å; I187-V189 HydrophobicContact CG1-CG2 3.94Å; I187-V189 PolarHBondContact O-N 2.67Å; I187-I221 HydrophobicContact CD1-CB 4.21Å; I187-I221 HydrophobicContact CD1-CD1 3.93Å; I187-I221 HydrophobicContact CD1-CG1 3.75Å; I187-I221 HydrophobicContact CD1-CG2 3.48Å; I187-I221 VanDerWaalsContact CD1-CG2 3.48Å; I187-A237 HydrophobicContact CG2-CB 4.09Å; I187-A237 WeakPolarHBondContact CG2-O 3.49Å; I187-V239 HydrophobicContact CB-CG2 4.35Å; I187-V239 HydrophobicContact CD1-CG2 4.42Å
188	A	91.4	Very high	95.6	Very high	82 Å²	82	41.3 Å²	41.3	68%	0.678	22%	0.218	S	C	*	.	S	Bend	trans	-76.3	74.9	-177.1	0	0	0	0	0	112.4	S210	A188-S210 WeakPolarHBondContact O-CB 3.25Å
189	V	92.1	Very high	95.6	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	20%	0.202	C	C	.	.			trans	-132.6	149	175.6	-56.5	0	0	0	0	111	W183 I187 N209 N219 I221 V239	W183-V189 HydrophobicContact CB-CG2 3.67Å; W183-V189 HydrophobicContact CG-CG2 4.35Å; I187-V189 VanDerWaalsContact C-N 3.29Å; I187-V189 HydrophobicContact CD1-CG1 4Å; I187-V189 HydrophobicContact CD1-CG2 4.18Å; I187-V189 HydrophobicContact CG1-CG1 4.17Å; I187-V189 HydrophobicContact CG1-CG2 3.94Å; I187-V189 PolarHBondContact O-N 2.67Å; V189-N209 CarbonylContact C-O 3.55Å; V189-N209 WeakPolarHBondContact CA-O 3.27Å; V189-N219 HydrophobicContact CG1-CB 4.35Å; V189-I221 HydrophobicContact CG1-CD1 4.11Å; V189-I221 HydrophobicContact CG1-CG1 4.4Å; V189-I221 HydrophobicContact CG2-CD1 4.44Å; V189-V239 HydrophobicContact CG1-CG2 4.39Å
190	N	89.7	Confident	95.5	Very high	80 Å²	80	40.1 Å²	40.1	43%	0.428	22%	0.222	S	C	.	.	S	Bend	trans	-101.6	-7.1	179.8	-65.4	100.4	0	0	0	113	N165 N209 S210 Y211	N165-N190 PolarHBondContact N-O 3.26Å; N190-N209 PolarHBondContact N-O 3.34Å; N190-S210 VanDerWaalsContact OD1-CA 3.32Å; N190-S210 WeakPolarHBondContact OD1-CA 3.32Å; N190-Y211 HydrophobicContact CB-CD2 3.66Å; N190-Y211 HydrophobicContact CB-CE2 3.86Å; N190-Y211 WeakPolarHBondContact OD1-CD2 3.36Å; N190-Y211 PolarHBondContact OD1-N 3.38Å
191	G	90.9	Very high	95.3	Very high	7 Å²	7	42.1 Å²	42.1	7%	0.072	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.9	162.9	173.7	0	0	0	0	0	110.5	T164 G208 N209	T164-G191 VanDerWaalsContact C-CA 3.46Å; T164-G191 WeakPolarHBondContact O-CA 3.36Å; G191-G208 CarbonylContact O-C 3.47Å; G191-G208 WeakPolarHBondContact O-CA 3.36Å; G191-N209 PolarHBondContact O-N 2.88Å
192	A	95.2	Very high	95.1	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.033	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151.7	173	0	0	0	0	0	109.2	E163 T164 W183 M207 I221	E163-A192 WeakPolarHBondContact CA-O 3.21Å; T164-A192 PolarHBondContact O-N 2.88Å; W183-A192 HydrophobicContact CD2-CB 4.26Å; W183-A192 HydrophobicContact CG-CB 4.42Å; W183-A192 HydrophobicContact CZ2-CB 4.3Å; A192-M207 CarbonylContact C-O 3.58Å; A192-M207 VanDerWaalsContact CA-O 3.23Å; A192-M207 WeakPolarHBondContact CA-O 3.45Å; A192-I221 HydrophobicContact CB-CD1 4.17Å
193	T	97.8	Very high	95.2	Very high	3 Å²	3	43 Å²	43	2%	0.018	25%	0.249	C	C	.	.			trans	-67.5	157.9	178.9	80	0	0	0	0	111.7	H195 N206 M207 Y254 H255	T193-H195 PolarHBondContact O-N 3.45Å; T193-H195 PolarHBondContact OG1-N 2.71Å; T193-N206 PolarHBondContact N-OD1 2.7Å; T193-N206 PolarHBondContact O-ND2 3.15Å; T193-N206 PolarHBondContact O-OD1 3.28Å; T193-N206 PolarHBondContact OG1-OD1 2.83Å; T193-M207 HydrophobicContact CG2-CB 4.1Å; T193-M207 PolarHBondContact N-O 3.05Å; T193-Y254 HydrophobicContact CG2-CD2 3.86Å; T193-Y254 HydrophobicContact CG2-CE2 3.58Å; T193-H255 VanDerWaalsContact CB-O 3.31Å; T193-H255 WeakPolarHBondContact CB-O 3.35Å
194	A	97.5	Very high	95.3	Very high	1 Å²	1	43 Å²	43	1%	0.008	25%	0.249	C	C	.	.	S	Bend	trans	-81.7	8.1	170.5	0	0	0	0	0	113.3	V149 S150 V152 P196	V149-A194 HydrophobicContact CB-CB 3.82Å; V149-A194 HydrophobicContact CG1-CB 3.56Å; S150-A194 WeakPolarHBondContact CB-O 3.29Å; V152-A194 WeakPolarHBondContact CG1-O 3.31Å; A194-P196 WeakPolarHBondContact O-CD 3.45Å
195	H	98.3	Very high	95.5	Very high	31 Å²	31	40.2 Å²	40.2	14%	0.144	23%	0.229	C	C	.	.			trans	-126.7	60.1	-174.6	-62.3	-83.4	0	0	0	112.2	T193 H255 F257 H326 H542	T193-H195 PolarHBondContact O-N 3.45Å; T193-H195 PolarHBondContact OG1-N 2.71Å; H195-H255 AromaticContact CD2-CD2 3.88Å; H195-H255 AromaticContact CD2-CE1 3.82Å; H195-H255 AromaticContact CD2-NE2 3.61Å; H195-H255 PolarHBondContact CD2-O 2.98Å; H195-H255 AromaticContact CE1-NE2 3.96Å; H195-H255 AromaticContact NE2-CD2 3.77Å; H195-H255 AromaticContact NE2-CE1 3.46Å; H195-H255 PolarHBondContact NE2-CE1 2.84Å; H195-H255 AromaticContact NE2-NE2 3.08Å; H195-H255 PolarHBondContact NE2-NE2 2.96Å; H195-F257 WeakPolarHBondContact O-CE1 3.24Å; H195-H326 AromaticContact CE1-CD2 3.91Å; H195-H326 AromaticContact CE1-NE2 3.91Å; H195-H542 AromaticContact CE1-CD2 3.68Å; H195-H542 AromaticContact CE1-CE1 3.49Å; H195-H542 PolarHBondContact CE1-CE1 3Å; H195-H542 VanDerWaalsContact CE1-CE1 3.49Å; H195-H542 AromaticContact CE1-CG 3.98Å; H195-H542 AromaticContact CE1-ND1 3.87Å; H195-H542 AromaticContact CE1-NE2 3.38Å; H195-H542 PolarHBondContact CE1-NE2 3.48Å; H195-H542 AromaticContact NE2-CD2 3.98Å; H195-H542 AromaticContact NE2-NE2 3.64Å
196	P	98.3	Very high	95.6	Very high	13 Å²	13	32.8 Å²	32.8	8%	0.084	20%	0.197	C	C	.	.			trans	-64.6	153.3	170.8	30.8	-36.9	0	0	0	111.8	V152 Y154 A194 Y198 Y205 N206	V152-P196 HydrophobicContact CB-CG 3.85Å; V152-P196 HydrophobicContact CG1-CG 3.76Å; Y154-P196 HydrophobicContact CE1-CB 4.48Å; Y154-P196 WeakPolarHBondContact OH-CB 3.23Å; A194-P196 WeakPolarHBondContact O-CD 3.45Å; P196-Y198 HydrophobicContact CB-CE1 4.39Å; P196-Y198 HydrophobicContact CG-CE1 4.38Å; P196-Y198 HydrophobicContact CG-CE2 4.39Å; P196-Y198 WeakPolarHBondContact CG-OH 3.08Å; P196-Y205 CarbonylContact C-O 3.6Å; P196-Y205 WeakPolarHBondContact CA-O 3.14Å; P196-Y205 VanDerWaalsContact CB-O 3.27Å; P196-Y205 WeakPolarHBondContact CB-O 3.42Å; P196-N206 HydrophobicContact CB-CB 4.09Å
197	H	98.5	Very high	95.7	Very high	22 Å²	22	29.8 Å²	29.8	10%	0.102	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	157.2	169.2	-80.9	-92.9	0	0	0	111.9	A204 Y205 F257 M259 Y439 N443	H197-A204 CarbonylContact O-C 3.57Å; H197-A204 WeakPolarHBondContact O-CA 3.47Å; H197-Y205 PolarHBondContact N-O 3.19Å; H197-Y205 PolarHBondContact O-N 2.86Å; H197-F257 HydrophobicContact CB-CE2 4.35Å; H197-F257 HydrophobicContact CB-CZ 4.08Å; H197-F257 AromaticContact CD2-CE1 3.99Å; H197-F257 AromaticContact CD2-CE2 3.74Å; H197-F257 AromaticContact CD2-CZ 3.62Å; H197-F257 PolarHBondContact NE2-O 3.15Å; H197-M259 HydrophobicContact CB-CB 4.04Å; H197-M259 HydrophobicContact CB-CE 3.56Å; H197-M259 HydrophobicContact CB-CG 4.44Å; H197-M259 HydrophobicContact CB-SD 3.56Å; H197-M259 VanDerWaalsContact CB-SD 3.56Å; H197-Y439 WeakPolarHBondContact CA-OH 3.48Å; H197-Y439 WeakPolarHBondContact CB-OH 3.28Å; H197-Y439 AromaticContact ND1-CE2 3.81Å; H197-Y439 AromaticContact ND1-CZ 3.85Å; H197-Y439 PolarHBondContact ND1-OH 2.86Å; H197-N443 PolarHBondContact ND1-OD1 3.43Å
198	Y	97.3	Very high	95.7	Very high	56 Å²	56	29 Å²	29	22%	0.22	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132	-176.8	-53.4	-68.9	0	0	0	111.7	K153 P196 T203 A204 Y439 N443	K153-Y198 WeakPolarHBondContact CA-OH 3.14Å; K153-Y198 HydrophobicContact CB-CE1 4.27Å; K153-Y198 PolarHBondContact N-OH 3.13Å; K153-Y198 WeakPolarHBondContact O-CE1 3.28Å; K153-Y198 PolarHBondContact O-OH 2.99Å; P196-Y198 HydrophobicContact CB-CE1 4.39Å; P196-Y198 HydrophobicContact CG-CE1 4.38Å; P196-Y198 HydrophobicContact CG-CE2 4.39Å; P196-Y198 WeakPolarHBondContact CG-OH 3.08Å; Y198-T203 WeakPolarHBondContact CA-O 3.3Å; Y198-A204 HydrophobicContact CD1-CB 3.76Å; Y198-A204 HydrophobicContact CE1-CB 3.65Å; Y198-Y439 HydrophobicContact CD2-CE1 4.08Å; Y198-Y439 PolarHBondContact N-OH 3.34Å; Y198-N443 PolarHBondContact O-ND2 3.37Å
199	D	96.3	Very high	95.7	Very high	31 Å²	31	26.2 Å²	26.2	17%	0.166	15%	0.153	C	C	.	.			trans	-79.7	159.1	162.4	-77.5	-23.5	0	0	0	110.2	D201 G202 T203 Y205 K307	D199-D201 PolarHBondContact O-N 2.89Å; D199-D201 VanDerWaalsContact O-N 3.12Å; D199-G202 PolarHBondContact O-N 3.13Å; D199-T203 PolarHBondContact N-O 2.81Å; D199-Y205 VanDerWaalsContact OD2-CE2 3.28Å; D199-Y205 WeakPolarHBondContact OD2-CE2 3.45Å; D199-K307 VanDerWaalsContact CG-NZ 3.35Å; D199-K307 IonicContact OD1-NZ 3.86Å; D199-K307 PolarHBondContact OD1-NZ 2.77Å; D199-K307 IonicContact OD2-NZ 2.73Å; D199-K307 PolarHBondContact OD2-NZ 2.8Å; D199-K307 VanDerWaalsContact OD2-NZ 3.14Å
200	P	93.4	Very high	95.7	Very high	126 Å²	126	27 Å²	27	82%	0.818	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-24.3	-177.3	-27.6	36.2	0	0	0	115.5	G202	P200-G202 PolarHBondContact O-N 2.73Å
201	D	93.8	Very high	95.6	Very high	99 Å²	99	27.3 Å²	27.3	53%	0.529	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-5.9	175.8	71.3	-11.5	0	0	0	113.1	D199 T203 P225	D199-D201 PolarHBondContact O-N 2.89Å; D199-D201 VanDerWaalsContact O-N 3.12Å; D201-T203 VanDerWaalsContact CG-OG1 3.26Å; D201-T203 WeakPolarHBondContact OD1-CB 3.39Å; D201-T203 PolarHBondContact OD1-N 2.97Å; D201-T203 PolarHBondContact OD1-OG1 3.5Å; D201-T203 PolarHBondContact OD2-OG1 2.95Å; D201-P225 WeakPolarHBondContact O-CB 3.45Å
202	G	94.1	Very high	95.1	Very high	35 Å²	35	29.5 Å²	29.5	36%	0.361	18%	0.177	S	C	.	.	S	Bend	trans	91.1	2.5	-176.4	0	0	0	0	0	114.5	D199 P200 A204	D199-G202 PolarHBondContact O-N 3.13Å; P200-G202 PolarHBondContact O-N 2.73Å; G202-A204 PolarHBondContact O-N 3.43Å
203	T	97.1	Very high	94.2	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.043	22%	0.219	C	C	.	.			trans	-58.9	127.1	171.4	-65	0	0	0	0	108.4	Y198 D199 D201 Y205 K222 P225	Y198-T203 WeakPolarHBondContact CA-O 3.3Å; D199-T203 PolarHBondContact N-O 2.81Å; D201-T203 VanDerWaalsContact CG-OG1 3.26Å; D201-T203 WeakPolarHBondContact OD1-CB 3.39Å; D201-T203 PolarHBondContact OD1-N 2.97Å; D201-T203 PolarHBondContact OD1-OG1 3.5Å; D201-T203 PolarHBondContact OD2-OG1 2.95Å; T203-Y205 HydrophobicContact CG2-CD2 4.11Å; T203-Y205 HydrophobicContact CG2-CE2 3.53Å; T203-K222 HydrophobicContact CG2-CD 4.35Å; T203-K222 HydrophobicContact CG2-CG 3.97Å; T203-P225 WeakPolarHBondContact OG1-CD 3.43Å
204	A	98.1	Very high	93.1	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.017	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.5	178.4	0	0	0	0	0	111.1	Y154 H197 Y198 G202 K222 V223	Y154-A204 HydrophobicContact CD1-CB 3.62Å; Y154-A204 HydrophobicContact CE1-CB 3.61Å; H197-A204 CarbonylContact O-C 3.57Å; H197-A204 WeakPolarHBondContact O-CA 3.47Å; Y198-A204 HydrophobicContact CD1-CB 3.76Å; Y198-A204 HydrophobicContact CE1-CB 3.65Å; G202-A204 PolarHBondContact O-N 3.43Å; A204-K222 CarbonylContact O-C 3.55Å; A204-K222 WeakPolarHBondContact O-CA 3.42Å; A204-V223 HydrophobicContact CB-CB 4.26Å; A204-V223 PolarHBondContact N-O 2.96Å; A204-V223 PolarHBondContact O-N 3.09Å
205	Y	98.6	Very high	92.5	Very high	5 Å²	5	46 Å²	46	2%	0.02	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.3	170.4	-72.6	-98.5	0	0	0	108.9	P196 H197 D199 T203 I220 I221 K222 L240 F257 M259 V264 K307	P196-Y205 CarbonylContact C-O 3.6Å; P196-Y205 WeakPolarHBondContact CA-O 3.14Å; P196-Y205 VanDerWaalsContact CB-O 3.27Å; P196-Y205 WeakPolarHBondContact CB-O 3.42Å; H197-Y205 PolarHBondContact N-O 3.19Å; H197-Y205 PolarHBondContact O-N 2.86Å; D199-Y205 VanDerWaalsContact OD2-CE2 3.28Å; D199-Y205 WeakPolarHBondContact OD2-CE2 3.45Å; T203-Y205 HydrophobicContact CG2-CD2 4.11Å; T203-Y205 HydrophobicContact CG2-CE2 3.53Å; Y205-I220 HydrophobicContact CD1-CG2 4.45Å; Y205-I221 CarbonylContact C-O 3.59Å; Y205-I221 VanDerWaalsContact CA-O 3.3Å; Y205-I221 WeakPolarHBondContact CA-O 3.18Å; Y205-K222 HydrophobicContact CD1-CB 4.49Å; Y205-K222 HydrophobicContact CE1-CB 4.3Å; Y205-K222 HydrophobicContact CE1-CD 4.09Å; Y205-K222 HydrophobicContact CE1-CG 4.2Å; Y205-K222 PolarHBondContact OH-NZ 3.39Å; Y205-K222 VanDerWaalsContact OH-NZ 3.08Å; Y205-L240 HydrophobicContact CE1-CD2 4.08Å; Y205-F257 WeakPolarHBondContact O-CZ 3.15Å; Y205-M259 HydrophobicContact CD2-SD 3.83Å; Y205-M259 HydrophobicContact CG-SD 3.94Å; Y205-V264 HydrophobicContact CD1-CG2 4.28Å; Y205-K307 HydrophobicContact CE1-CB 4.45Å; Y205-K307 HydrophobicContact CE1-CG 4.16Å
206	N	98.4	Very high	92.2	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.011	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	170.5	174	-158.1	-15.3	0	0	0	109.9	Y154 T193 P196 I221	Y154-N206 PolarHBondContact OH-ND2 3.11Å; T193-N206 PolarHBondContact N-OD1 2.7Å; T193-N206 PolarHBondContact O-ND2 3.15Å; T193-N206 PolarHBondContact O-OD1 3.28Å; T193-N206 PolarHBondContact OG1-OD1 2.83Å; P196-N206 HydrophobicContact CB-CB 4.09Å; N206-I221 HydrophobicContact CB-CB 4.36Å; N206-I221 PolarHBondContact N-O 3.39Å; N206-I221 WeakPolarHBondContact O-CB 3.37Å; N206-I221 PolarHBondContact O-N 2.63Å
207	M	97.3	Very high	92.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	143.5	173	-71.7	-158.4	58.5	0	0	111.2	A192 T193 N219 I220 Y254 F257 F266	A192-M207 CarbonylContact C-O 3.58Å; A192-M207 VanDerWaalsContact CA-O 3.23Å; A192-M207 WeakPolarHBondContact CA-O 3.45Å; T193-M207 HydrophobicContact CG2-CB 4.1Å; T193-M207 PolarHBondContact N-O 3.05Å; M207-N219 WeakPolarHBondContact CA-O 3.49Å; M207-I220 HydrophobicContact CE-CD1 3.58Å; M207-I220 HydrophobicContact CG-CD1 3.57Å; M207-I220 HydrophobicContact SD-CD1 3.56Å; M207-I220 VanDerWaalsContact SD-CD1 3.56Å; M207-Y254 HydrophobicContact CB-CD2 4.36Å; M207-Y254 HydrophobicContact CB-CE2 3.56Å; M207-Y254 HydrophobicContact CE-CE2 4.19Å; M207-F257 HydrophobicContact CB-CD1 4.17Å; M207-F257 HydrophobicContact CG-CB 4.05Å; M207-F257 HydrophobicContact CG-CD1 3.64Å; M207-F257 HydrophobicContact CG-CD2 4.35Å; M207-F257 HydrophobicContact CG-CE1 4.17Å; M207-F257 HydrophobicContact CG-CG 3.74Å; M207-F257 HydrophobicContact SD-CB 3.47Å; M207-F257 WeakPolarHBondContact SD-CB 3.39Å; M207-F257 HydrophobicContact SD-CD1 4.23Å; M207-F257 HydrophobicContact SD-CG 3.84Å; M207-F266 HydrophobicContact CE-CB 3.81Å; M207-F266 HydrophobicContact CE-CD1 4.33Å; M207-F266 HydrophobicContact CE-CD2 3.25Å; M207-F266 HydrophobicContact CE-CE2 3.86Å; M207-F266 HydrophobicContact CE-CG 3.53Å; M207-F266 HydrophobicContact SD-CB 3.89Å; M207-F266 HydrophobicContact SD-CD2 3.71Å; M207-F266 HydrophobicContact SD-CG 4.1Å
208	G	94.8	Very high	92	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	155.6	179.9	0	0	0	0	0	113.5	G191 N219 Y254	G191-G208 CarbonylContact O-C 3.47Å; G191-G208 WeakPolarHBondContact O-CA 3.36Å; G208-N219 PolarHBondContact N-O 3.05Å; G208-N219 WeakPolarHBondContact O-CA 3.11Å; G208-N219 VanDerWaalsContact O-CB 3.31Å; G208-N219 WeakPolarHBondContact O-CB 3.49Å; G208-N219 PolarHBondContact O-N 3.23Å; G208-N219 PolarHBondContact O-ND2 2.87Å; G208-Y254 WeakPolarHBondContact CA-OH 3.23Å; G208-Y254 PolarHBondContact N-OH 2.96Å; G208-Y254 PolarHBondContact O-OH 2.91Å
209	N	91.6	Very high	92	Very high	23 Å²	23	41.7 Å²	41.7	12%	0.123	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	150.8	-179.2	-70.3	-53.5	0	0	0	111.3	V189 N190 G191 Y211 L217 Y218 Y254	V189-N209 CarbonylContact C-O 3.55Å; V189-N209 WeakPolarHBondContact CA-O 3.27Å; N190-N209 PolarHBondContact N-O 3.34Å; G191-N209 PolarHBondContact O-N 2.88Å; N209-Y211 HydrophobicContact CB-CE2 4.05Å; N209-L217 CarbonylContact C-O 3.57Å; N209-L217 WeakPolarHBondContact CA-O 3.38Å; N209-Y218 VanDerWaalsContact OD1-CD1 3.26Å; N209-Y218 WeakPolarHBondContact OD1-CD1 3.11Å; N209-Y254 PolarHBondContact N-OH 2.8Å; N209-Y254 PolarHBondContact ND2-OH 3.09Å; N209-Y254 WeakPolarHBondContact OD1-CE1 3.44Å; N209-Y254 PolarHBondContact OD1-OH 2.7Å
210	S	92	Very high	92.1	Very high	19 Å²	19	40.2 Å²	40.2	13%	0.133	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.2	164.6	64	0	0	0	0	111.6	A188 N190 T216 L217 N219	A188-S210 WeakPolarHBondContact O-CB 3.25Å; N190-S210 VanDerWaalsContact OD1-CA 3.32Å; N190-S210 WeakPolarHBondContact OD1-CA 3.32Å; S210-T216 CarbonylContact O-C 3.59Å; S210-T216 WeakPolarHBondContact O-CA 3.49Å; S210-L217 PolarHBondContact N-O 2.59Å; S210-L217 PolarHBondContact O-N 2.9Å; S210-N219 WeakPolarHBondContact CB-ND2 3.15Å; S210-N219 PolarHBondContact N-ND2 3.19Å; S210-N219 PolarHBondContact OG-ND2 2.84Å
211	Y	87.9	Confident	92.4	Very high	87 Å²	87	34.2 Å²	34.2	34%	0.341	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116	179.3	-52.7	-76.5	0	0	0	108.7	N190 N209 T216 L275	N190-Y211 HydrophobicContact CB-CD2 3.66Å; N190-Y211 HydrophobicContact CB-CE2 3.86Å; N190-Y211 WeakPolarHBondContact OD1-CD2 3.36Å; N190-Y211 PolarHBondContact OD1-N 3.38Å; N209-Y211 HydrophobicContact CB-CE2 4.05Å; Y211-T216 HydrophobicContact CD1-CG2 3.8Å; Y211-T216 HydrophobicContact CE1-CG2 3.52Å; Y211-L275 HydrophobicContact CD1-CD1 4.19Å; Y211-L275 HydrophobicContact CE1-CD1 4.02Å; Y211-L275 HydrophobicContact CE1-CD2 3.81Å
212	G	81.1	Confident	92.6	Very high	53 Å²	53	33 Å²	33	55%	0.546	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	-160.6	-178.5	0	0	0	0	0	113.7	R214 G215	G212-R214 PolarHBondContact O-N 3.14Å; G212-R214 VanDerWaalsContact O-N 3.14Å; G212-G215 PolarHBondContact N-O 2.91Å; G212-G215 WeakPolarHBondContact O-CA 3.43Å; G212-G215 PolarHBondContact O-N 3.3Å
213	S	75.1	Confident	92.7	Very high	132 Å²	132	31.5 Å²	31.5	92%	0.923	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.1	-178.4	56.9	0	0	0	0	114.1	G215	S213-G215 PolarHBondContact O-N 3.04Å
214	R	75.9	Confident	92.7	Very high	196 Å²	196	33.1 Å²	33.1	74%	0.74	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-1	174.8	-60	-175.5	-171.6	176.2	2.9	113.2	G212 L217 K248	G212-R214 PolarHBondContact O-N 3.14Å; G212-R214 VanDerWaalsContact O-N 3.14Å; R214-L217 HydrophobicContact CB-CD1 4.5Å; R214-K248 PolarHBondContact O-NZ 2.98Å
215	G	84.9	Confident	92.6	Very high	26 Å²	26	34.6 Å²	34.6	27%	0.268	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	86.4	-159.1	-169.9	0	0	0	0	0	111.8	G212 S213	G212-G215 PolarHBondContact N-O 2.91Å; G212-G215 WeakPolarHBondContact O-CA 3.43Å; G212-G215 PolarHBondContact O-N 3.3Å; S213-G215 PolarHBondContact O-N 3.04Å
216	T	91.9	Very high	92.1	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	136.9	175.6	-50.1	0	0	0	0	111.1	S210 Y211 P245 K248 P251 L275	S210-T216 CarbonylContact O-C 3.59Å; S210-T216 WeakPolarHBondContact O-CA 3.49Å; Y211-T216 HydrophobicContact CD1-CG2 3.8Å; Y211-T216 HydrophobicContact CE1-CG2 3.52Å; T216-P245 HydrophobicContact CG2-CG 3.98Å; T216-P245 WeakPolarHBondContact O-CD 3.48Å; T216-K248 WeakPolarHBondContact CB-O 3.46Å; T216-K248 PolarHBondContact OG1-O 3.06Å; T216-P251 HydrophobicContact CG2-CB 3.89Å; T216-P251 HydrophobicContact CG2-CG 3.97Å; T216-L275 WeakPolarHBondContact OG1-CD1 3.36Å
217	L	95.6	Very high	91.6	Very high	23 Å²	23	44.9 Å²	44.9	12%	0.12	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143	174	-58.5	172.1	0	0	0	110.3	N209 S210 R214 N219 V244	N209-L217 CarbonylContact C-O 3.57Å; N209-L217 WeakPolarHBondContact CA-O 3.38Å; S210-L217 PolarHBondContact N-O 2.59Å; S210-L217 PolarHBondContact O-N 2.9Å; R214-L217 HydrophobicContact CB-CD1 4.5Å; L217-N219 PolarHBondContact O-ND2 2.95Å; L217-V244 HydrophobicContact CD2-CB 4.5Å; L217-V244 HydrophobicContact CD2-CG2 3.8Å
218	Y	97.3	Very high	91	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.3	163.1	-42.7	-69.5	0	0	0	108.3	N209 S242 I243 P245 P251 S252 Y254 F266 E268	N209-Y218 VanDerWaalsContact OD1-CD1 3.26Å; N209-Y218 WeakPolarHBondContact OD1-CD1 3.11Å; Y218-S242 CarbonylContact O-C 3.5Å; Y218-S242 VanDerWaalsContact O-CA 3.24Å; Y218-S242 WeakPolarHBondContact O-CA 3.44Å; Y218-I243 HydrophobicContact CD2-CB 4.14Å; Y218-I243 HydrophobicContact CD2-CG2 4.17Å; Y218-I243 PolarHBondContact N-O 3.48Å; Y218-I243 PolarHBondContact O-N 2.9Å; Y218-P245 HydrophobicContact CD2-CG 4.1Å; Y218-P245 HydrophobicContact CE1-CG 4.2Å; Y218-P245 HydrophobicContact CE2-CB 3.73Å; Y218-P245 HydrophobicContact CE2-CG 3.54Å; Y218-P245 WeakPolarHBondContact OH-CB 3.44Å; Y218-P251 HydrophobicContact CE1-CB 3.93Å; Y218-P251 WeakPolarHBondContact OH-CA 3.33Å; Y218-S252 PolarHBondContact OH-N 3.36Å; Y218-Y254 HydrophobicContact CD1-CD1 4.28Å; Y218-Y254 AromaticContact CD1-CE1 3.66Å; Y218-Y254 HydrophobicContact CD1-CE1 3.66Å; Y218-Y254 HydrophobicContact CE1-CD1 4.39Å; Y218-Y254 HydrophobicContact CE1-CE1 4.11Å; Y218-F266 HydrophobicContact CD1-CE1 4.33Å; Y218-F266 AromaticContact CD1-CZ 3.87Å; Y218-F266 HydrophobicContact CD1-CZ 3.87Å; Y218-F266 HydrophobicContact CD2-CD1 4.22Å; Y218-F266 AromaticContact CD2-CE1 3.3Å; Y218-F266 HydrophobicContact CD2-CE1 3.3Å; Y218-F266 AromaticContact CD2-CZ 3.69Å; Y218-F266 HydrophobicContact CD2-CZ 3.69Å; Y218-F266 AromaticContact CE1-CZ 3.94Å; Y218-F266 HydrophobicContact CE1-CZ 3.94Å; Y218-F266 AromaticContact CE2-CE1 3.47Å; Y218-F266 HydrophobicContact CE2-CE1 3.47Å; Y218-F266 VanDerWaalsContact CE2-CE1 3.47Å; Y218-F266 AromaticContact CE2-CZ 3.7Å; Y218-F266 HydrophobicContact CE2-CZ 3.7Å; Y218-F266 AromaticContact CG-CE1 3.73Å; Y218-F266 HydrophobicContact CG-CE1 3.73Å; Y218-F266 AromaticContact CG-CZ 3.74Å; Y218-F266 HydrophobicContact CG-CZ 3.74Å; Y218-F266 AromaticContact CZ-CZ 3.83Å; Y218-E268 HydrophobicContact CE2-CG 4.4Å; Y218-E268 PolarHBondContact OH-OE1 3.44Å
219	N	97.7	Very high	90.6	Very high	4 Å²	4	57 Å²	57	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.6	-175.3	-56	-74.2	0	0	0	109.9	V189 M207 G208 S210 L217 V239 C241 S242	V189-N219 HydrophobicContact CG1-CB 4.35Å; M207-N219 WeakPolarHBondContact CA-O 3.49Å; G208-N219 PolarHBondContact N-O 3.05Å; G208-N219 WeakPolarHBondContact O-CA 3.11Å; G208-N219 VanDerWaalsContact O-CB 3.31Å; G208-N219 WeakPolarHBondContact O-CB 3.49Å; G208-N219 PolarHBondContact O-N 3.23Å; G208-N219 PolarHBondContact O-ND2 2.87Å; S210-N219 WeakPolarHBondContact CB-ND2 3.15Å; S210-N219 PolarHBondContact N-ND2 3.19Å; S210-N219 PolarHBondContact OG-ND2 2.84Å; L217-N219 PolarHBondContact O-ND2 2.95Å; N219-V239 HydrophobicContact CB-CG1 3.9Å; N219-V239 HydrophobicContact CB-CG2 4.25Å; N219-C241 WeakPolarHBondContact CA-O 3.36Å; N219-S242 PolarHBondContact OD1-OG 3.24Å
220	I	98.3	Very high	90.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.2	165.8	-53	-51.4	0	0	0	107.2	Y205 M207 V239 L240 C241 V264 I305	Y205-I220 HydrophobicContact CD1-CG2 4.45Å; M207-I220 HydrophobicContact CE-CD1 3.58Å; M207-I220 HydrophobicContact CG-CD1 3.57Å; M207-I220 HydrophobicContact SD-CD1 3.56Å; M207-I220 VanDerWaalsContact SD-CD1 3.56Å; I220-V239 CarbonylContact O-C 3.58Å; I220-V239 WeakPolarHBondContact O-CA 3.16Å; I220-L240 HydrophobicContact CB-CB 4.36Å; I220-L240 HydrophobicContact CG2-CB 4.31Å; I220-L240 HydrophobicContact CG2-CD2 4.18Å; I220-L240 PolarHBondContact O-N 2.69Å; I220-C241 VanDerWaalsContact CG1-SG 3.51Å; I220-C241 PolarHBondContact N-O 2.71Å; I220-V264 HydrophobicContact CD1-CG1 3.81Å; I220-V264 HydrophobicContact CG1-CG1 4.33Å; I220-V264 HydrophobicContact CG2-CG1 4.35Å; I220-V264 HydrophobicContact CG2-CG2 4.39Å; I220-I305 HydrophobicContact CD1-CD1 4.42Å; I220-I305 HydrophobicContact CG1-CD1 4.35Å; I220-I305 HydrophobicContact CG1-CG1 4.29Å
221	I	98.1	Very high	89.8	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.4	-176.8	-58.2	167.2	0	0	0	108.1	W183 I187 V189 A192 Y205 N206 V223 K238	W183-I221 HydrophobicContact CH2-CG2 4.18Å; W183-I221 HydrophobicContact CZ3-CG2 3.71Å; I187-I221 HydrophobicContact CD1-CB 4.21Å; I187-I221 HydrophobicContact CD1-CD1 3.93Å; I187-I221 HydrophobicContact CD1-CG1 3.75Å; I187-I221 HydrophobicContact CD1-CG2 3.48Å; I187-I221 VanDerWaalsContact CD1-CG2 3.48Å; V189-I221 HydrophobicContact CG1-CD1 4.11Å; V189-I221 HydrophobicContact CG1-CG1 4.4Å; V189-I221 HydrophobicContact CG2-CD1 4.44Å; A192-I221 HydrophobicContact CB-CD1 4.17Å; Y205-I221 CarbonylContact C-O 3.59Å; Y205-I221 VanDerWaalsContact CA-O 3.3Å; Y205-I221 WeakPolarHBondContact CA-O 3.18Å; N206-I221 HydrophobicContact CB-CB 4.36Å; N206-I221 PolarHBondContact N-O 3.39Å; N206-I221 WeakPolarHBondContact O-CB 3.37Å; N206-I221 PolarHBondContact O-N 2.63Å; I221-V223 HydrophobicContact CG2-CG2 4.22Å; I221-K238 WeakPolarHBondContact CA-O 3.39Å
222	K	97.9	Very high	89.9	Confident	74 Å²	74	64 Å²	64	32%	0.322	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.9	171.6	-178.8	174.3	177.5	155.4	0	109.6	T203 A204 Y205 A237 K238	T203-K222 HydrophobicContact CG2-CD 4.35Å; T203-K222 HydrophobicContact CG2-CG 3.97Å; A204-K222 CarbonylContact O-C 3.55Å; A204-K222 WeakPolarHBondContact O-CA 3.42Å; Y205-K222 HydrophobicContact CD1-CB 4.49Å; Y205-K222 HydrophobicContact CE1-CB 4.3Å; Y205-K222 HydrophobicContact CE1-CD 4.09Å; Y205-K222 HydrophobicContact CE1-CG 4.2Å; Y205-K222 PolarHBondContact OH-NZ 3.39Å; Y205-K222 VanDerWaalsContact OH-NZ 3.08Å; K222-A237 WeakPolarHBondContact O-CA 3.46Å; K222-K238 PolarHBondContact N-O 3.23Å; K222-K238 PolarHBondContact O-N 3.24Å
223	V	97.9	Very high	90.5	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.1	175.1	-172.3	0	0	0	0	108.6	Y154 W183 A204 I221 L234 A237	Y154-V223 HydrophobicContact CD1-CB 4.04Å; Y154-V223 HydrophobicContact CD1-CG1 4.15Å; Y154-V223 HydrophobicContact CD1-CG2 3.92Å; Y154-V223 HydrophobicContact CE1-CB 4.44Å; Y154-V223 HydrophobicContact CE1-CG2 3.94Å; W183-V223 HydrophobicContact CH2-CG2 3.8Å; W183-V223 HydrophobicContact CZ3-CG2 4Å; A204-V223 HydrophobicContact CB-CB 4.26Å; A204-V223 PolarHBondContact N-O 2.96Å; A204-V223 PolarHBondContact O-N 3.09Å; I221-V223 HydrophobicContact CG2-CG2 4.22Å; V223-L234 HydrophobicContact CG1-CD2 4.24Å; V223-L234 HydrophobicContact CG2-CD2 4.23Å; V223-A237 HydrophobicContact CG2-CB 4.02Å
224	P	96.4	Very high	91.4	Very high	42 Å²	42	55.3 Å²	55.3	27%	0.273	28%	0.281	S	S	.	.			trans	-71.2	151	-179.8	27.9	-31.9	0	0	0	111.5	K155 E226 G236	K155-P224 WeakPolarHBondContact CG-O 3.37Å; K155-P224 PolarHBondContact NZ-O 3.45Å; P224-E226 PolarHBondContact O-N 3.08Å; P224-G236 VanDerWaalsContact CD-O 3.27Å; P224-G236 WeakPolarHBondContact CD-O 3.4Å
225	P	95	Very high	92.4	Very high	33 Å²	33	49.4 Å²	49.4	21%	0.214	26%	0.261	C	S	.	.	S	Bend	trans	-71	-33	-172.8	23.7	-29	0	0	0	113.3	K155 D201 T203	K155-P225 WeakPolarHBondContact CA-O 3.19Å; D201-P225 WeakPolarHBondContact O-CB 3.45Å; T203-P225 WeakPolarHBondContact OG1-CD 3.43Å
226	E	88.9	Confident	92.9	Very high	147 Å²	147	50.3 Å²	50.3	69%	0.687	27%	0.27	S	S	*	.			trans	-73.9	142.2	-170	-65.9	166.8	-178.8	0	0	112.4	K155 P224	K155-E226 PolarHBondContact NZ-O 3.01Å; P224-E226 PolarHBondContact O-N 3.08Å
227	K	88.4	Confident	93.1	Very high	76 Å²	76	50.5 Å²	50.5	33%	0.33	27%	0.273	S	S	.	.			trans	-93.8	122.3	162.7	-71.8	-176.1	168.8	165.6	0	108.4	K155 D157 D232	K155-K227 HydrophobicContact CB-CG 3.8Å; K155-K227 HydrophobicContact CD-CG 4.02Å; K155-K227 WeakPolarHBondContact O-CE 3.24Å; D157-K227 IonicContact OD1-NZ 2.65Å; D157-K227 PolarHBondContact OD1-NZ 3.29Å; D157-K227 VanDerWaalsContact OD2-CE 3.25Å; D157-K227 WeakPolarHBondContact OD2-CE 3.31Å; D157-K227 IonicContact OD2-NZ 2.82Å; D157-K227 PolarHBondContact OD2-NZ 3.27Å; K227-D232 HydrophobicContact CB-CB 4.4Å; K227-D232 HydrophobicContact CG-CB 4.24Å
228	T	84.4	Confident	93.2	Very high	122 Å²	122	56.4 Å²	56.4	75%	0.748	30%	0.297	S	S	*	.	S	Bend	trans	-77.5	-35.9	168.9	56.1	0	0	0	0	110.6	D232	T228-D232 WeakPolarHBondContact CA-OD2 3.39Å; T228-D232 WeakPolarHBondContact CB-OD2 3.42Å; T228-D232 PolarHBondContact N-OD2 3.06Å; T228-D232 PolarHBondContact OG1-OD2 2.91Å
229	E	85.6	Confident	93.2	Very high	131 Å²	131	58.8 Å²	58.8	61%	0.612	31%	0.312	S	S	*	.	S	Bend	trans	-128.4	153.4	173.3	-62	-173.5	-174.8	0	0	110.8	K231 D232	E229-K231 PolarHBondContact O-N 3.39Å; E229-K231 VanDerWaalsContact O-N 3.09Å; E229-D232 PolarHBondContact N-OD2 3.16Å; E229-D232 WeakPolarHBondContact O-CB 3.33Å; E229-D232 PolarHBondContact O-N 3.07Å
230	S	81.4	Confident	93.1	Very high	105 Å²	105	60.8 Å²	60.8	73%	0.734	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.6	-179.3	59.2	0	0	0	0	113.9
231	K	85.9	Confident	93	Very high	167 Å²	167	61.5 Å²	61.5	73%	0.726	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-0.3	178.6	-63.8	-175.1	-179.9	-179.9	0	113.7	E229 T233	E229-K231 PolarHBondContact O-N 3.39Å; E229-K231 VanDerWaalsContact O-N 3.09Å; K231-T233 PolarHBondContact O-N 3.22Å
232	D	90.1	Very high	93	Very high	5 Å²	5	64.1 Å²	64.1	3%	0.027	35%	0.346	C	S	.	.			trans	-61.6	135.3	179.5	-76.5	-16.4	0	0	0	111.3	K155 K227 T228 E229 Q235	K155-D232 HydrophobicContact CD-CB 4.07Å; K227-D232 HydrophobicContact CB-CB 4.4Å; K227-D232 HydrophobicContact CG-CB 4.24Å; T228-D232 WeakPolarHBondContact CA-OD2 3.39Å; T228-D232 WeakPolarHBondContact CB-OD2 3.42Å; T228-D232 PolarHBondContact N-OD2 3.06Å; T228-D232 PolarHBondContact OG1-OD2 2.91Å; E229-D232 PolarHBondContact N-OD2 3.16Å; E229-D232 WeakPolarHBondContact O-CB 3.33Å; E229-D232 PolarHBondContact O-N 3.07Å; D232-Q235 VanDerWaalsContact CA-OE1 3.28Å; D232-Q235 HydrophobicContact CB-CB 4.35Å; D232-Q235 VanDerWaalsContact OD1-CD 3.31Å; D232-Q235 WeakPolarHBondContact OD1-CG 3.33Å
233	T	93.2	Very high	92.9	Very high	3 Å²	3	61 Å²	61	2%	0.018	33%	0.332	C	S	.	.	S	Bend	trans	-111	-79.1	172.4	56.1	0	0	0	0	109.2	K155 Y159 V181 F186 K231	K155-T233 WeakPolarHBondContact CD-O 3.46Å; K155-T233 WeakPolarHBondContact CE-O 3.41Å; Y159-T233 WeakPolarHBondContact OH-CA 3.28Å; Y159-T233 WeakPolarHBondContact OH-CB 3.36Å; V181-T233 HydrophobicContact CG2-CG2 3.91Å; F186-T233 WeakPolarHBondContact CZ-OG1 3.21Å; K231-T233 PolarHBondContact O-N 3.22Å
234	L	95.4	Very high	92.8	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.354	C	S	.	.	S	Bend	trans	-113.2	12.7	-177.2	-65.6	179.2	0	0	0	113.3	Y154 M167 V181 W183 F186 V223 G236 A237	Y154-L234 HydrophobicContact CD1-CD2 4.14Å; Y154-L234 HydrophobicContact CD2-CD2 4.22Å; Y154-L234 HydrophobicContact CG-CD2 3.93Å; M167-L234 HydrophobicContact CE-CD1 3.59Å; M167-L234 HydrophobicContact CE-CD2 3.75Å; M167-L234 HydrophobicContact CE-CG 3.61Å; V181-L234 HydrophobicContact CG1-CD1 3.88Å; V181-L234 HydrophobicContact CG1-CG 4.18Å; W183-L234 HydrophobicContact CD2-CD1 3.55Å; W183-L234 HydrophobicContact CE3-CD1 3.49Å; W183-L234 VanDerWaalsContact CE3-CD1 3.49Å; W183-L234 HydrophobicContact CG-CD1 4.16Å; W183-L234 HydrophobicContact CH2-CD1 3.99Å; W183-L234 HydrophobicContact CH2-CD2 3.65Å; W183-L234 HydrophobicContact CH2-CG 4.46Å; W183-L234 HydrophobicContact CZ2-CD1 4.04Å; W183-L234 HydrophobicContact CZ2-CD2 4.05Å; W183-L234 HydrophobicContact CZ3-CD1 3.71Å; W183-L234 HydrophobicContact CZ3-CD2 3.93Å; W183-L234 HydrophobicContact CZ3-CG 4.37Å; F186-L234 HydrophobicContact CB-CB 4.28Å; F186-L234 HydrophobicContact CD1-CB 3.84Å; F186-L234 HydrophobicContact CD2-CB 3.68Å; F186-L234 HydrophobicContact CD2-CD1 3.88Å; F186-L234 HydrophobicContact CD2-CG 4.36Å; F186-L234 HydrophobicContact CE1-CB 4.04Å; F186-L234 HydrophobicContact CE2-CB 3.9Å; F186-L234 HydrophobicContact CE2-CD1 4.18Å; F186-L234 HydrophobicContact CE2-CG 4.44Å; F186-L234 HydrophobicContact CG-CB 3.65Å; F186-L234 HydrophobicContact CZ-CB 4.07Å; V223-L234 HydrophobicContact CG1-CD2 4.24Å; V223-L234 HydrophobicContact CG2-CD2 4.23Å; L234-G236 PolarHBondContact O-N 3.25Å; L234-A237 HydrophobicContact CB-CB 4.42Å; L234-A237 WeakPolarHBondContact O-CB 3.29Å; L234-A237 PolarHBondContact O-N 2.78Å
235	Q	95.5	Very high	92.6	Very high	71 Å²	71	62.9 Å²	62.9	33%	0.332	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	130.4	177.8	-77.9	74	1.4	0	0	110.7	K155 F186 D232 A237	K155-Q235 WeakPolarHBondContact CE-O 3.44Å; K155-Q235 PolarHBondContact NZ-O 2.78Å; F186-Q235 HydrophobicContact CE1-CG 4.36Å; D232-Q235 VanDerWaalsContact CA-OE1 3.28Å; D232-Q235 HydrophobicContact CB-CB 4.35Å; D232-Q235 VanDerWaalsContact OD1-CD 3.31Å; D232-Q235 WeakPolarHBondContact OD1-CG 3.33Å; Q235-A237 VanDerWaalsContact C-N 3.34Å
236	G	95.1	Very high	92.3	Very high	45 Å²	45	65.6 Å²	65.6	46%	0.464	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	2.2	-176.2	0	0	0	0	0	115.2	P224 L234	P224-G236 VanDerWaalsContact CD-O 3.27Å; P224-G236 WeakPolarHBondContact CD-O 3.4Å; L234-G236 PolarHBondContact O-N 3.25Å
237	A	97	Very high	92.5	Very high	10 Å²	10	62 Å²	62	8%	0.083	35%	0.353	C	S	.	.			trans	-57.2	140.6	169.7	0	0	0	0	0	111.2	W183 F186 I187 K222 V223 L234 Q235	W183-A237 HydrophobicContact CZ3-CB 4.46Å; F186-A237 HydrophobicContact CB-CB 4.44Å; I187-A237 HydrophobicContact CG2-CB 4.09Å; I187-A237 WeakPolarHBondContact CG2-O 3.49Å; K222-A237 WeakPolarHBondContact O-CA 3.46Å; V223-A237 HydrophobicContact CG2-CB 4.02Å; L234-A237 HydrophobicContact CB-CB 4.42Å; L234-A237 WeakPolarHBondContact O-CB 3.29Å; L234-A237 PolarHBondContact O-N 2.78Å; Q235-A237 VanDerWaalsContact C-N 3.34Å
238	K	96.9	Very high	92.6	Very high	147 Å²	147	63 Å²	63	64%	0.639	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.3	149.2	-179.5	-63.9	176.4	-171.8	177.8	0	110.6	I221 K222 L240	I221-K238 WeakPolarHBondContact CA-O 3.39Å; K222-K238 PolarHBondContact N-O 3.23Å; K222-K238 PolarHBondContact O-N 3.24Å; K238-L240 PolarHBondContact O-N 3.38Å
239	V	97.2	Very high	93	Very high	50 Å²	50	60.6 Å²	60.6	30%	0.303	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	112.5	162.4	174.6	0	0	0	0	107.2	I187 V189 N219 I220 C241	I187-V239 HydrophobicContact CB-CG2 4.35Å; I187-V239 HydrophobicContact CD1-CG2 4.42Å; V189-V239 HydrophobicContact CG1-CG2 4.39Å; N219-V239 HydrophobicContact CB-CG1 3.9Å; N219-V239 HydrophobicContact CB-CG2 4.25Å; I220-V239 CarbonylContact O-C 3.58Å; I220-V239 WeakPolarHBondContact O-CA 3.16Å; V239-C241 WeakPolarHBondContact CG1-O 3.19Å
240	L	96.6	Very high	93.5	Very high	47 Å²	47	56.4 Å²	56.4	25%	0.246	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-46.2	177.5	-179.2	65.4	0	0	0	110.5	Y205 I220 K238	Y205-L240 HydrophobicContact CE1-CD2 4.08Å; I220-L240 HydrophobicContact CB-CB 4.36Å; I220-L240 HydrophobicContact CG2-CB 4.31Å; I220-L240 HydrophobicContact CG2-CD2 4.18Å; I220-L240 PolarHBondContact O-N 2.69Å; K238-L240 PolarHBondContact O-N 3.38Å
241	C	96.9	Very high	94.2	Very high	15 Å²	15	51.5 Å²	51.5	10%	0.101	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	166.2	175.1	74.6	0	0	0	0	111.3	N219 I220 V239 I305 G310 V312	N219-C241 WeakPolarHBondContact CA-O 3.36Å; I220-C241 VanDerWaalsContact CG1-SG 3.51Å; I220-C241 PolarHBondContact N-O 2.71Å; V239-C241 WeakPolarHBondContact CG1-O 3.19Å; C241-I305 VanDerWaalsContact SG-CG2 3.51Å; C241-G310 WeakPolarHBondContact CB-O 3.31Å; C241-V312 HydrophobicContact CB-CG2 4.33Å
242	S	96.9	Very high	94.6	Very high	55 Å²	55	43.5 Å²	43.5	39%	0.385	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	136.3	174.5	-56.5	0	0	0	0	110.8	Y218 N219	Y218-S242 CarbonylContact O-C 3.5Å; Y218-S242 VanDerWaalsContact O-CA 3.24Å; Y218-S242 WeakPolarHBondContact O-CA 3.44Å; N219-S242 PolarHBondContact OD1-OG 3.24Å
243	I	96.4	Very high	94.9	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.3	178.8	-54.5	163.8	0	0	0	107.8	Y218 F266 H303 I305 V312	Y218-I243 HydrophobicContact CD2-CB 4.14Å; Y218-I243 HydrophobicContact CD2-CG2 4.17Å; Y218-I243 PolarHBondContact N-O 3.48Å; Y218-I243 PolarHBondContact O-N 2.9Å; I243-F266 HydrophobicContact CD1-CB 4.03Å; I243-F266 HydrophobicContact CD1-CD1 3.78Å; I243-F266 HydrophobicContact CD1-CG 4.25Å; I243-F266 HydrophobicContact CG2-CD1 4.48Å; I243-H303 HydrophobicContact CD1-CB 4.17Å; I243-I305 HydrophobicContact CD1-CD1 3.72Å; I243-I305 HydrophobicContact CD1-CG1 4.12Å; I243-V312 HydrophobicContact CG1-CG2 4.11Å
244	V	95	Very high	95	Very high	78 Å²	78	44.6 Å²	44.6	47%	0.473	26%	0.261	S	S	.	.			trans	-88.4	125.8	179	-175.3	0	0	0	0	109.3	L217 K248	L217-V244 HydrophobicContact CD2-CB 4.5Å; L217-V244 HydrophobicContact CD2-CG2 3.8Å; V244-K248 HydrophobicContact CG1-CG 4.34Å
245	P	93.6	Very high	95.1	Very high	6 Å²	6	45.5 Å²	45.5	4%	0.039	27%	0.265	C	S	.	.			trans	-56.7	145.9	172.5	-21.9	30.6	0	0	0	112.5	T216 Y218 N247 P251	T216-P245 HydrophobicContact CG2-CG 3.98Å; T216-P245 WeakPolarHBondContact O-CD 3.48Å; Y218-P245 HydrophobicContact CD2-CG 4.1Å; Y218-P245 HydrophobicContact CE1-CG 4.2Å; Y218-P245 HydrophobicContact CE2-CB 3.73Å; Y218-P245 HydrophobicContact CE2-CG 3.54Å; Y218-P245 WeakPolarHBondContact OH-CB 3.44Å; P245-N247 PolarHBondContact O-N 3.02Å; P245-P251 HydrophobicContact CB-CB 4.26Å; P245-P251 HydrophobicContact CG-CB 4.1Å
246	A	88.3	Confident	95.3	Very high	89 Å²	89	42.5 Å²	42.5	74%	0.736	25%	0.252	S	S	*	.	S	Bend	trans	-58	-36.6	172.7	0	0	0	0	0	111.8	E268	A246-E268 PolarHBondContact N-OE1 3.38Å
247	N	92	Very high	95.4	Very high	71 Å²	71	40.4 Å²	40.4	38%	0.38	23%	0.23	S	C	.	.	S	Bend	trans	-126.4	109.4	170	-176	-22.3	0	0	0	109.7	P245 S249 H250	P245-N247 PolarHBondContact O-N 3.02Å; N247-S249 PolarHBondContact O-N 2.76Å; N247-S249 PolarHBondContact OD1-N 2.89Å; N247-H250 HydrophobicContact CB-CB 4.24Å; N247-H250 CarbonylContact O-C 3.44Å; N247-H250 PolarHBondContact O-N 3.11Å; N247-H250 VanDerWaalsContact O-N 3.11Å; N247-H250 PolarHBondContact OD1-N 2.8Å
248	K	92.2	Very high	95.5	Very high	97 Å²	97	40 Å²	40	42%	0.422	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.9	-177.1	-66.5	-173.6	176.2	-167.4	0	114.1	R214 T216 V244 L275	R214-K248 PolarHBondContact O-NZ 2.98Å; T216-K248 WeakPolarHBondContact CB-O 3.46Å; T216-K248 PolarHBondContact OG1-O 3.06Å; V244-K248 HydrophobicContact CG1-CG 4.34Å; K248-L275 WeakPolarHBondContact O-CD1 3.43Å
249	S	91.8	Very high	95.6	Very high	73 Å²	73	33 Å²	33	51%	0.51	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-16.5	179.1	-57.6	0	0	0	0	112.7	N247 P251 L275	N247-S249 PolarHBondContact O-N 2.76Å; N247-S249 PolarHBondContact OD1-N 2.89Å; S249-P251 VanDerWaalsContact C-CD 3.5Å; S249-L275 WeakPolarHBondContact O-CG 3.42Å; S249-L275 PolarHBondContact O-N 3Å
250	H	95.5	Very high	95.6	Very high	43 Å²	43	30.6 Å²	30.6	20%	0.199	18%	0.182	C	C	.	.	S	Bend	trans	-132.6	61.4	179.1	-62.5	-106	0	0	0	110.6	N247 K272 M273 D274 Y293	N247-H250 HydrophobicContact CB-CB 4.24Å; N247-H250 CarbonylContact O-C 3.44Å; N247-H250 PolarHBondContact O-N 3.11Å; N247-H250 VanDerWaalsContact O-N 3.11Å; N247-H250 PolarHBondContact OD1-N 2.8Å; H250-K272 HydrophobicContact CB-CB 4.46Å; H250-M273 WeakPolarHBondContact CA-O 3.31Å; H250-D274 IonicContact CE1-OD2 2.71Å; H250-Y293 AromaticContact ND1-CE1 3.79Å; H250-Y293 AromaticContact ND1-CZ 3.85Å; H250-Y293 PolarHBondContact ND1-OH 2.93Å
251	P	95.8	Very high	95.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-61.9	161.5	175.4	31.5	-39.7	0	0	0	111.2	T216 Y218 P245 S249 K272 M273 L275	T216-P251 HydrophobicContact CG2-CB 3.89Å; T216-P251 HydrophobicContact CG2-CG 3.97Å; Y218-P251 HydrophobicContact CE1-CB 3.93Å; Y218-P251 WeakPolarHBondContact OH-CA 3.33Å; P245-P251 HydrophobicContact CB-CB 4.26Å; P245-P251 HydrophobicContact CG-CB 4.1Å; S249-P251 VanDerWaalsContact C-CD 3.5Å; P251-K272 CarbonylContact O-C 3.58Å; P251-K272 WeakPolarHBondContact O-CA 3.42Å; P251-M273 WeakPolarHBondContact CD-O 3.3Å; P251-M273 HydrophobicContact CG-CB 4.24Å; P251-M273 PolarHBondContact O-N 2.86Å; P251-L275 HydrophobicContact CG-CD1 4.07Å; P251-L275 HydrophobicContact CG-CD2 3.92Å; P251-L275 HydrophobicContact CG-CG 4.06Å
252	S	96.1	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-72.7	137.7	171.9	-169.9	0	0	0	0	110.5	Y218 Q269 I271	Y218-S252 PolarHBondContact OH-N 3.36Å; S252-Q269 WeakPolarHBondContact OG-CG 3.25Å; S252-Q269 PolarHBondContact OG-N 2.82Å; S252-Q269 PolarHBondContact OG-O 2.92Å; S252-I271 CarbonylContact C-O 3.1Å; S252-I271 WeakPolarHBondContact CA-O 3.24Å
253	Y	95.8	Very high	95.8	Very high	18 Å²	18	33.8 Å²	33.8	7%	0.071	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-70.7	142.3	153.3	174.2	-106.6	0	0	0	109.4	E163 H255 Q269 I271 M273 F325	E163-Y253 PolarHBondContact OE1-OH 2.9Å; E163-Y253 VanDerWaalsContact OE2-CE2 3.22Å; E163-Y253 WeakPolarHBondContact OE2-CE2 3.38Å; E163-Y253 PolarHBondContact OE2-OH 3.21Å; Y253-H255 HydrophobicContact CE1-CB 4.27Å; Y253-H255 PolarHBondContact OH-ND1 3.44Å; Y253-Q269 WeakPolarHBondContact O-CG 3.39Å; Y253-Q269 PolarHBondContact O-NE2 2.83Å; Y253-I271 HydrophobicContact CD1-CD1 4.47Å; Y253-I271 HydrophobicContact CD1-CG2 4.08Å; Y253-I271 HydrophobicContact CG-CG2 4.27Å; Y253-I271 PolarHBondContact N-O 2.79Å; Y253-M273 HydrophobicContact CD2-SD 4.47Å; Y253-F325 HydrophobicContact CE1-CD1 4.36Å; Y253-F325 AromaticContact CE1-CE1 3.72Å; Y253-F325 HydrophobicContact CE1-CE1 3.72Å; Y253-F325 HydrophobicContact CE1-CZ 4.31Å
254	Y	96	Very high	95.9	Very high	13 Å²	13	33.4 Å²	33.4	5%	0.051	19%	0.185	C	C	.	.			trans	-149.1	141.6	173.7	60.3	-86.7	0	0	0	108.6	T193 M207 G208 N209 Y218 F266	T193-Y254 HydrophobicContact CG2-CD2 3.86Å; T193-Y254 HydrophobicContact CG2-CE2 3.58Å; M207-Y254 HydrophobicContact CB-CD2 4.36Å; M207-Y254 HydrophobicContact CB-CE2 3.56Å; M207-Y254 HydrophobicContact CE-CE2 4.19Å; G208-Y254 WeakPolarHBondContact CA-OH 3.23Å; G208-Y254 PolarHBondContact N-OH 2.96Å; G208-Y254 PolarHBondContact O-OH 2.91Å; N209-Y254 PolarHBondContact N-OH 2.8Å; N209-Y254 PolarHBondContact ND2-OH 3.09Å; N209-Y254 WeakPolarHBondContact OD1-CE1 3.44Å; N209-Y254 PolarHBondContact OD1-OH 2.7Å; Y218-Y254 HydrophobicContact CD1-CD1 4.28Å; Y218-Y254 AromaticContact CD1-CE1 3.66Å; Y218-Y254 HydrophobicContact CD1-CE1 3.66Å; Y218-Y254 HydrophobicContact CE1-CD1 4.39Å; Y218-Y254 HydrophobicContact CE1-CE1 4.11Å; Y254-F266 AromaticContact CD1-CE2 3.72Å; Y254-F266 HydrophobicContact CD1-CE2 3.72Å; Y254-F266 HydrophobicContact CD1-CZ 4.22Å; Y254-F266 HydrophobicContact CD2-CE2 4.41Å; Y254-F266 HydrophobicContact CE1-CE2 4.31Å; Y254-F266 AromaticContact CG-CE2 3.78Å; Y254-F266 HydrophobicContact CG-CE2 3.78Å
255	H	97.2	Very high	96.1	Very high	18 Å²	18	29.7 Å²	29.7	8%	0.083	16%	0.163	C	C	.	.	S	Bend	trans	-104.4	-36.9	-174.4	-174.4	59.5	0	0	0	112.3	E163 T193 H195 Y253 F325 H326	E163-H255 IonicContact OE1-CE1 3.13Å; E163-H255 IonicContact OE1-CG 2.81Å; E163-H255 IonicContact OE1-ND1 3.39Å; E163-H255 PolarHBondContact OE1-ND1 3.45Å; T193-H255 VanDerWaalsContact CB-O 3.31Å; T193-H255 WeakPolarHBondContact CB-O 3.35Å; H195-H255 AromaticContact CD2-CD2 3.88Å; H195-H255 AromaticContact CD2-CE1 3.82Å; H195-H255 AromaticContact CD2-NE2 3.61Å; H195-H255 PolarHBondContact CD2-O 2.98Å; H195-H255 AromaticContact CE1-NE2 3.96Å; H195-H255 AromaticContact NE2-CD2 3.77Å; H195-H255 AromaticContact NE2-CE1 3.46Å; H195-H255 PolarHBondContact NE2-CE1 2.84Å; H195-H255 AromaticContact NE2-NE2 3.08Å; H195-H255 PolarHBondContact NE2-NE2 2.96Å; Y253-H255 HydrophobicContact CE1-CB 4.27Å; Y253-H255 PolarHBondContact OH-ND1 3.44Å; H255-F325 HydrophobicContact CB-CB 4.3Å; H255-F325 HydrophobicContact CB-CD1 3.74Å; H255-F325 HydrophobicContact CB-CG 4.39Å; H255-F325 WeakPolarHBondContact CB-O 3.29Å; H255-F325 AromaticContact CD2-CD1 3.81Å; H255-F325 PolarHBondContact CD2-O 3.39Å; H255-F325 VanDerWaalsContact CD2-O 3.32Å; H255-F325 AromaticContact CG-CD1 3.67Å; H255-H326 AromaticContact CD2-CD2 3.78Å; H255-H326 AromaticContact CD2-NE2 3.5Å; H255-H326 AromaticContact NE2-CD2 3.98Å; H255-H326 AromaticContact NE2-NE2 3.31Å; H255-H326 PolarHBondContact NE2-NE2 3.07Å
256	S	98.1	Very high	96.3	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.063	16%	0.161	C	C	.	.			trans	-144.7	-176.1	175.3	64.8	0	0	0	0	110.4	F325 Q327	S256-F325 PolarHBondContact OG-O 3.05Å; S256-Q327 PolarHBondContact O-OE1 3.2Å; S256-Q327 PolarHBondContact OG-N 3.18Å; S256-Q327 PolarHBondContact OG-OE1 3.34Å
257	F	98.7	Very high	96.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.			trans	-143.8	165	177.6	65.7	-79.2	0	0	0	109.9	H195 H197 Y205 M207 M259 V264 Q327	H195-F257 WeakPolarHBondContact O-CE1 3.24Å; H197-F257 HydrophobicContact CB-CE2 4.35Å; H197-F257 HydrophobicContact CB-CZ 4.08Å; H197-F257 AromaticContact CD2-CE1 3.99Å; H197-F257 AromaticContact CD2-CE2 3.74Å; H197-F257 AromaticContact CD2-CZ 3.62Å; H197-F257 PolarHBondContact NE2-O 3.15Å; Y205-F257 WeakPolarHBondContact O-CZ 3.15Å; M207-F257 HydrophobicContact CB-CD1 4.17Å; M207-F257 HydrophobicContact CG-CB 4.05Å; M207-F257 HydrophobicContact CG-CD1 3.64Å; M207-F257 HydrophobicContact CG-CD2 4.35Å; M207-F257 HydrophobicContact CG-CE1 4.17Å; M207-F257 HydrophobicContact CG-CG 3.74Å; M207-F257 HydrophobicContact SD-CB 3.47Å; M207-F257 WeakPolarHBondContact SD-CB 3.39Å; M207-F257 HydrophobicContact SD-CD1 4.23Å; M207-F257 HydrophobicContact SD-CG 3.84Å; F257-M259 HydrophobicContact CE2-CB 4.26Å; F257-V264 HydrophobicContact CD2-CG1 3.76Å; F257-V264 HydrophobicContact CE2-CG1 4.15Å; F257-V264 HydrophobicContact CE2-CG2 4.31Å; F257-Q327 PolarHBondContact O-OE1 3.31Å
258	A	98.6	Very high	97.1	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.008	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	147.2	175.1	0	0	0	0	0	111.2	V265 Q327 A330 V339	A258-V265 HydrophobicContact CB-CB 3.88Å; A258-V265 HydrophobicContact CB-CG2 4.38Å; A258-V265 PolarHBondContact N-O 2.87Å; A258-V265 VanDerWaalsContact N-O 3.08Å; A258-V265 PolarHBondContact O-N 3.44Å; A258-Q327 HydrophobicContact CB-CB 4.34Å; A258-Q327 HydrophobicContact CB-CG 3.85Å; A258-A330 HydrophobicContact CB-CB 3.8Å; A258-V339 HydrophobicContact CB-CG1 3.77Å
259	M	98.6	Very high	97.3	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133.6	176.1	-168.1	179.1	82.3	0	0	110.7	H197 Y205 F257 V264 K307 A330 T444	H197-M259 HydrophobicContact CB-CB 4.04Å; H197-M259 HydrophobicContact CB-CE 3.56Å; H197-M259 HydrophobicContact CB-CG 4.44Å; H197-M259 HydrophobicContact CB-SD 3.56Å; H197-M259 VanDerWaalsContact CB-SD 3.56Å; Y205-M259 HydrophobicContact CD2-SD 3.83Å; Y205-M259 HydrophobicContact CG-SD 3.94Å; F257-M259 HydrophobicContact CE2-CB 4.26Å; M259-V264 HydrophobicContact CG-CG2 4.17Å; M259-K307 HydrophobicContact CG-CD 4.07Å; M259-K307 HydrophobicContact SD-CD 4.36Å; M259-A330 VanDerWaalsContact O-O 3.1Å; M259-T444 HydrophobicContact CE-CG2 3.73Å; M259-T444 HydrophobicContact CG-CG2 4.46Å
260	S	98.5	Very high	97.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.066	C	C	.	.			trans	-114.1	-174.2	169.3	61.4	0	0	0	0	109.8	N262 Y263 K307 E332 L337	S260-N262 VanDerWaalsContact C-N 3.32Å; S260-N262 PolarHBondContact O-N 3.49Å; S260-Y263 PolarHBondContact N-O 2.94Å; S260-Y263 WeakPolarHBondContact OG-CA 3.38Å; S260-Y263 WeakPolarHBondContact OG-CB 3.5Å; S260-Y263 PolarHBondContact OG-N 3.38Å; S260-Y263 PolarHBondContact OG-O 3.34Å; S260-K307 WeakPolarHBondContact O-CD 3.39Å; S260-K307 PolarHBondContact O-NZ 3.22Å; S260-E332 PolarHBondContact OG-OE1 3.06Å; S260-L337 WeakPolarHBondContact OG-CD1 3.3Å
261	E	97.2	Very high	97.6	Very high	116 Å²	116	12.3 Å²	12.3	54%	0.542	6%	0.057	S	C	.	.	S	Bend	trans	-59.8	-46.2	-178	-174	174.1	164.3	0	0	110.7	K307	E261-K307 WeakPolarHBondContact O-CD 3.45Å; E261-K307 PolarHBondContact O-NZ 2.78Å
262	N	97.9	Very high	97.6	Very high	28 Å²	28	12.5 Å²	12.5	15%	0.15	6%	0.058	C	C	.	.	S	Bend	trans	-109	-18.7	-174.9	-53.9	-65	0	0	0	114	S260 K307 R308 E332	S260-N262 VanDerWaalsContact C-N 3.32Å; S260-N262 PolarHBondContact O-N 3.49Å; N262-K307 VanDerWaalsContact O-CB 3.31Å; N262-K307 WeakPolarHBondContact O-CB 3.23Å; N262-K307 WeakPolarHBondContact O-CG 3.46Å; N262-K307 PolarHBondContact O-N 3.44Å; N262-R308 VanDerWaalsContact OD1-CZ 3.26Å; N262-R308 PolarHBondContact OD1-NE 3.46Å; N262-R308 VanDerWaalsContact OD1-NE 3.13Å; N262-R308 PolarHBondContact OD1-NH2 2.94Å; N262-E332 WeakPolarHBondContact CA-OE1 3.45Å; N262-E332 WeakPolarHBondContact CB-OE1 3.49Å; N262-E332 PolarHBondContact N-OE1 3.3Å; N262-E332 VanDerWaalsContact ND2-CD 3.34Å; N262-E332 PolarHBondContact ND2-OE1 2.86Å; N262-E332 PolarHBondContact ND2-OE2 3.4Å
263	Y	98.4	Very high	97.6	Very high	40 Å²	40	13.8 Å²	13.8	16%	0.157	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.9	-175.3	-59	-85	0	0	0	114.3	S260 I305 D306 I313 E332 L337 L384	S260-Y263 PolarHBondContact N-O 2.94Å; S260-Y263 WeakPolarHBondContact OG-CA 3.38Å; S260-Y263 WeakPolarHBondContact OG-CB 3.5Å; S260-Y263 PolarHBondContact OG-N 3.38Å; S260-Y263 PolarHBondContact OG-O 3.34Å; Y263-I305 CarbonylContact C-O 3.12Å; Y263-I305 VanDerWaalsContact CA-O 3.27Å; Y263-I305 WeakPolarHBondContact CA-O 3.48Å; Y263-D306 HydrophobicContact CE1-CB 4.43Å; Y263-I313 HydrophobicContact CE1-CD1 4.37Å; Y263-I313 HydrophobicContact CE1-CG1 4.24Å; Y263-E332 HydrophobicContact CD2-CG 4.2Å; Y263-E332 WeakPolarHBondContact CE2-OE2 3.31Å; Y263-L337 HydrophobicContact CG-CD2 4.45Å; Y263-L384 HydrophobicContact CD2-CD2 4Å; Y263-L384 HydrophobicContact CE1-CD2 4.45Å; Y263-L384 HydrophobicContact CE2-CD1 3.89Å; Y263-L384 HydrophobicContact CE2-CD2 3.61Å; Y263-L384 HydrophobicContact CE2-CG 4.37Å
264	V	98.6	Very high	97.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	139.2	157.8	166.9	0	0	0	0	108.4	Y205 I220 F257 M259 I305 K307	Y205-V264 HydrophobicContact CD1-CG2 4.28Å; I220-V264 HydrophobicContact CD1-CG1 3.81Å; I220-V264 HydrophobicContact CG1-CG1 4.33Å; I220-V264 HydrophobicContact CG2-CG1 4.35Å; I220-V264 HydrophobicContact CG2-CG2 4.39Å; F257-V264 HydrophobicContact CD2-CG1 3.76Å; F257-V264 HydrophobicContact CE2-CG1 4.15Å; F257-V264 HydrophobicContact CE2-CG2 4.31Å; M259-V264 HydrophobicContact CG-CG2 4.17Å; V264-I305 HydrophobicContact CB-CB 4.28Å; V264-I305 HydrophobicContact CG1-CD1 4.26Å; V264-I305 PolarHBondContact N-O 3.41Å; V264-I305 WeakPolarHBondContact O-CD1 3.19Å; V264-I305 PolarHBondContact O-N 2.83Å; V264-K307 HydrophobicContact CG2-CD 4.26Å; V264-K307 HydrophobicContact CG2-CG 3.82Å
265	V	98.6	Very high	97.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	111.1	176.6	-173.2	0	0	0	0	109.1	A258 I267 F302 H303 L304 L337 V339	A258-V265 HydrophobicContact CB-CB 3.88Å; A258-V265 HydrophobicContact CB-CG2 4.38Å; A258-V265 PolarHBondContact N-O 2.87Å; A258-V265 VanDerWaalsContact N-O 3.08Å; A258-V265 PolarHBondContact O-N 3.44Å; V265-I267 WeakPolarHBondContact O-CD1 3.43Å; V265-F302 HydrophobicContact CG1-CB 3.94Å; V265-F302 HydrophobicContact CG1-CD1 4.34Å; V265-H303 WeakPolarHBondContact CA-O 3.3Å; V265-L304 HydrophobicContact CG1-CD1 4.28Å; V265-L304 HydrophobicContact CG2-CD1 4.41Å; V265-L304 HydrophobicContact CG2-CG 4.43Å; V265-L337 HydrophobicContact CG2-CD2 3.5Å; V265-L337 VanDerWaalsContact CG2-CD2 3.5Å; V265-L337 HydrophobicContact CG2-CG 4.45Å; V265-V339 HydrophobicContact CG2-CG2 4.21Å
266	F	98.5	Very high	97	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.4	170.8	167.2	-127.6	0	0	0	110.4	M207 Y218 I243 Y254 E268 F302 H303 I305	M207-F266 HydrophobicContact CE-CB 3.81Å; M207-F266 HydrophobicContact CE-CD1 4.33Å; M207-F266 HydrophobicContact CE-CD2 3.25Å; M207-F266 HydrophobicContact CE-CE2 3.86Å; M207-F266 HydrophobicContact CE-CG 3.53Å; M207-F266 HydrophobicContact SD-CB 3.89Å; M207-F266 HydrophobicContact SD-CD2 3.71Å; M207-F266 HydrophobicContact SD-CG 4.1Å; Y218-F266 HydrophobicContact CD1-CE1 4.33Å; Y218-F266 AromaticContact CD1-CZ 3.87Å; Y218-F266 HydrophobicContact CD1-CZ 3.87Å; Y218-F266 HydrophobicContact CD2-CD1 4.22Å; Y218-F266 AromaticContact CD2-CE1 3.3Å; Y218-F266 HydrophobicContact CD2-CE1 3.3Å; Y218-F266 AromaticContact CD2-CZ 3.69Å; Y218-F266 HydrophobicContact CD2-CZ 3.69Å; Y218-F266 AromaticContact CE1-CZ 3.94Å; Y218-F266 HydrophobicContact CE1-CZ 3.94Å; Y218-F266 AromaticContact CE2-CE1 3.47Å; Y218-F266 HydrophobicContact CE2-CE1 3.47Å; Y218-F266 VanDerWaalsContact CE2-CE1 3.47Å; Y218-F266 AromaticContact CE2-CZ 3.7Å; Y218-F266 HydrophobicContact CE2-CZ 3.7Å; Y218-F266 AromaticContact CG-CE1 3.73Å; Y218-F266 HydrophobicContact CG-CE1 3.73Å; Y218-F266 AromaticContact CG-CZ 3.74Å; Y218-F266 HydrophobicContact CG-CZ 3.74Å; Y218-F266 AromaticContact CZ-CZ 3.83Å; I243-F266 HydrophobicContact CD1-CB 4.03Å; I243-F266 HydrophobicContact CD1-CD1 3.78Å; I243-F266 HydrophobicContact CD1-CG 4.25Å; I243-F266 HydrophobicContact CG2-CD1 4.48Å; Y254-F266 AromaticContact CD1-CE2 3.72Å; Y254-F266 HydrophobicContact CD1-CE2 3.72Å; Y254-F266 HydrophobicContact CD1-CZ 4.22Å; Y254-F266 HydrophobicContact CD2-CE2 4.41Å; Y254-F266 HydrophobicContact CE1-CE2 4.31Å; Y254-F266 AromaticContact CG-CE2 3.78Å; Y254-F266 HydrophobicContact CG-CE2 3.78Å; F266-E268 HydrophobicContact CD1-CB 4.43Å; F266-E268 HydrophobicContact CE1-CB 3.69Å; F266-E268 HydrophobicContact CE1-CG 4.17Å; F266-E268 HydrophobicContact CZ-CB 3.85Å; F266-E268 HydrophobicContact CZ-CG 4.18Å; F266-F302 WeakPolarHBondContact O-CA 3.39Å; F266-H303 HydrophobicContact CB-CB 4.26Å; F266-H303 HydrophobicContact CD1-CB 4.23Å; F266-H303 AromaticContact CD1-CD2 3.41Å; F266-H303 VanDerWaalsContact CD1-CD2 3.41Å; F266-H303 WeakPolarHBondContact CD1-CD2 3.24Å; F266-H303 AromaticContact CD1-CG 3.98Å; F266-H303 AromaticContact CE1-CD2 3.85Å; F266-H303 PolarHBondContact N-O 3.16Å; F266-H303 PolarHBondContact O-N 3.3Å; F266-I305 HydrophobicContact CB-CD1 4.31Å
267	I	98.3	Very high	96.7	Very high	4 Å²	4	23 Å²	23	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	98	179	-51.9	92.6	0	0	0	109.2	V265 Q269 T300 F302 T324 Q327	V265-I267 WeakPolarHBondContact O-CD1 3.43Å; I267-Q269 PolarHBondContact O-N 2.8Å; I267-T300 HydrophobicContact CG2-CG2 3.55Å; I267-F302 HydrophobicContact CB-CD1 4.33Å; I267-F302 HydrophobicContact CB-CE1 4.47Å; I267-F302 HydrophobicContact CG1-CD1 3.8Å; I267-F302 HydrophobicContact CG1-CE1 3.98Å; I267-F302 HydrophobicContact CG2-CD1 4.07Å; I267-F302 HydrophobicContact CG2-CE1 3.83Å; I267-T324 HydrophobicContact CG2-CG2 4.07Å; I267-Q327 HydrophobicContact CD1-CG 4.03Å
268	E	97.9	Very high	96.3	Very high	5 Å²	5	24.4 Å²	24.4	2%	0.023	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	97.4	173.9	-168.5	175.6	-162.3	0	0	109.5	Y218 A246 F266 T300 V301 H303	Y218-E268 HydrophobicContact CE2-CG 4.4Å; Y218-E268 PolarHBondContact OH-OE1 3.44Å; A246-E268 PolarHBondContact N-OE1 3.38Å; F266-E268 HydrophobicContact CD1-CB 4.43Å; F266-E268 HydrophobicContact CE1-CB 3.69Å; F266-E268 HydrophobicContact CE1-CG 4.17Å; F266-E268 HydrophobicContact CZ-CB 3.85Å; F266-E268 HydrophobicContact CZ-CG 4.18Å; E268-T300 WeakPolarHBondContact O-CA 3.5Å; E268-V301 HydrophobicContact CB-CB 4.32Å; E268-V301 PolarHBondContact N-O 3.22Å; E268-V301 PolarHBondContact O-N 3.31Å; E268-H303 WeakPolarHBondContact CB-NE2 3.43Å; E268-H303 IonicContact OE2-CE1 3.61Å; E268-H303 PolarHBondContact OE2-CE1 3.03Å; E268-H303 IonicContact OE2-NE2 2.69Å; E268-H303 PolarHBondContact OE2-NE2 3.01Å
269	Q	97.5	Very high	95.7	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	15%	0.151	C	C	.	.			trans	-93	169.5	-173.5	60.5	179.9	-13.5	0	0	113.7	S252 Y253 I267 I271 K272 T300 S323 T324	S252-Q269 WeakPolarHBondContact OG-CG 3.25Å; S252-Q269 PolarHBondContact OG-N 2.82Å; S252-Q269 PolarHBondContact OG-O 2.92Å; Y253-Q269 WeakPolarHBondContact O-CG 3.39Å; Y253-Q269 PolarHBondContact O-NE2 2.83Å; I267-Q269 PolarHBondContact O-N 2.8Å; Q269-I271 HydrophobicContact CG-CB 4.38Å; Q269-I271 PolarHBondContact O-N 3.24Å; Q269-K272 PolarHBondContact O-NZ 2.59Å; Q269-T300 HydrophobicContact CB-CG2 4.4Å; Q269-S323 VanDerWaalsContact OE1-CA 3.25Å; Q269-T324 PolarHBondContact NE2-O 3.49Å; Q269-T324 PolarHBondContact OE1-O 3.16Å
270	P	97.1	Very high	95.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-80.6	11.6	179.1	-4.6	19.8	0	0	0	115.2	K272 W294 D295 Q298 A321 I322	P270-K272 PolarHBondContact O-N 3.29Å; P270-W294 HydrophobicContact CB-CE3 3.81Å; P270-W294 HydrophobicContact CB-CH2 3.95Å; P270-W294 HydrophobicContact CB-CZ3 3.53Å; P270-W294 HydrophobicContact CG-CE3 4.27Å; P270-W294 HydrophobicContact CG-CH2 3.57Å; P270-W294 HydrophobicContact CG-CZ2 4.43Å; P270-W294 HydrophobicContact CG-CZ3 3.48Å; P270-W294 VanDerWaalsContact CG-CZ3 3.48Å; P270-D295 WeakPolarHBondContact CB-O 3.47Å; P270-D295 PolarHBondContact O-N 3.26Å; P270-Q298 HydrophobicContact CB-CB 4.28Å; P270-A321 HydrophobicContact CG-CB 3.84Å; P270-I322 WeakPolarHBondContact CD-O 3.2Å
271	I	96.7	Very high	94.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	104.3	167.5	-57.8	179	0	0	0	107.4	S252 Y253 Q269 I292 Y293 W294	S252-I271 CarbonylContact C-O 3.1Å; S252-I271 WeakPolarHBondContact CA-O 3.24Å; Y253-I271 HydrophobicContact CD1-CD1 4.47Å; Y253-I271 HydrophobicContact CD1-CG2 4.08Å; Y253-I271 HydrophobicContact CG-CG2 4.27Å; Y253-I271 PolarHBondContact N-O 2.79Å; Q269-I271 HydrophobicContact CG-CB 4.38Å; Q269-I271 PolarHBondContact O-N 3.24Å; I271-I292 HydrophobicContact CG2-CG2 3.42Å; I271-I292 VanDerWaalsContact CG2-CG2 3.42Å; I271-Y293 CarbonylContact C-O 3.53Å; I271-Y293 WeakPolarHBondContact CA-O 3.43Å; I271-W294 HydrophobicContact CG1-CE3 3.81Å; I271-W294 HydrophobicContact CG1-CZ3 4.17Å
272	K	96.3	Very high	93.7	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.022	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	147.2	-173.1	-59.4	-47.6	-170	-168.3	0	112.4	H250 P251 Q269 P270 I292 Y293 D295	H250-K272 HydrophobicContact CB-CB 4.46Å; P251-K272 CarbonylContact O-C 3.58Å; P251-K272 WeakPolarHBondContact O-CA 3.42Å; Q269-K272 PolarHBondContact O-NZ 2.59Å; P270-K272 PolarHBondContact O-N 3.29Å; K272-I292 CarbonylContact O-C 3.56Å; K272-I292 VanDerWaalsContact O-CA 3.3Å; K272-I292 WeakPolarHBondContact O-CA 3.09Å; K272-Y293 HydrophobicContact CB-CD1 4.28Å; K272-Y293 HydrophobicContact CB-CE1 3.7Å; K272-Y293 HydrophobicContact CB-CE2 4.13Å; K272-Y293 PolarHBondContact N-O 3.47Å; K272-Y293 WeakPolarHBondContact O-CD1 3.49Å; K272-Y293 PolarHBondContact O-N 3.29Å; K272-D295 HydrophobicContact CG-CB 4.43Å
273	M	94.3	Very high	93.1	Very high	27 Å²	27	31.5 Å²	31.5	13%	0.133	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	107.7	176.5	-61.8	178.3	63.5	0	0	110	H250 P251 Y253 L275 I278 I292	H250-M273 WeakPolarHBondContact CA-O 3.31Å; P251-M273 WeakPolarHBondContact CD-O 3.3Å; P251-M273 HydrophobicContact CG-CB 4.24Å; P251-M273 PolarHBondContact O-N 2.86Å; Y253-M273 HydrophobicContact CD2-SD 4.47Å; M273-L275 HydrophobicContact CB-CD2 4.49Å; M273-L275 PolarHBondContact O-N 3.49Å; M273-L275 VanDerWaalsContact O-N 3.08Å; M273-I278 HydrophobicContact CB-CD1 3.84Å; M273-I278 HydrophobicContact CE-CD1 3.63Å; M273-I278 HydrophobicContact CG-CD1 4.48Å; M273-I292 HydrophobicContact CG-CD1 4.44Å; M273-I292 HydrophobicContact CG-CG1 4.2Å
274	D	95.4	Very high	92.4	Very high	17 Å²	17	35 Å²	35	9%	0.091	18%	0.175	C	C	.	.			trans	-73.7	97.5	173.9	-174.9	-34.9	0	0	0	109.7	H250 L276 K277 I278 G291 Y293	H250-D274 IonicContact CE1-OD2 2.71Å; D274-L276 VanDerWaalsContact C-N 3.28Å; D274-L276 PolarHBondContact O-N 3.24Å; D274-L276 PolarHBondContact OD1-N 2.96Å; D274-K277 HydrophobicContact CB-CB 3.99Å; D274-K277 HydrophobicContact CB-CD 3.93Å; D274-K277 HydrophobicContact CB-CG 4.09Å; D274-K277 VanDerWaalsContact CG-CG 3.4Å; D274-K277 PolarHBondContact O-N 2.9Å; D274-K277 VanDerWaalsContact O-N 3.13Å; D274-K277 WeakPolarHBondContact OD1-CG 3.29Å; D274-K277 PolarHBondContact OD1-N 2.92Å; D274-K277 WeakPolarHBondContact OD2-CD 3.45Å; D274-K277 WeakPolarHBondContact OD2-CE 3.4Å; D274-K277 WeakPolarHBondContact OD2-CG 3.48Å; D274-K277 IonicContact OD2-NZ 3.95Å; D274-K277 PolarHBondContact OD2-NZ 3.19Å; D274-I278 WeakPolarHBondContact O-CG1 3.38Å; D274-I278 PolarHBondContact O-N 2.78Å; D274-G291 WeakPolarHBondContact CB-O 3.3Å; D274-G291 PolarHBondContact N-O 2.87Å; D274-Y293 HydrophobicContact CB-CE1 4.21Å
275	L	91.6	Very high	91.8	Very high	29 Å²	29	37.3 Å²	37.3	15%	0.152	20%	0.199	C	C	.	.	H	α-helix	trans	-63.7	-33.5	-172.2	-62.6	-178.6	0	0	0	112.5	Y211 T216 K248 S249 P251 M273 I278 V279	Y211-L275 HydrophobicContact CD1-CD1 4.19Å; Y211-L275 HydrophobicContact CE1-CD1 4.02Å; Y211-L275 HydrophobicContact CE1-CD2 3.81Å; T216-L275 WeakPolarHBondContact OG1-CD1 3.36Å; K248-L275 WeakPolarHBondContact O-CD1 3.43Å; S249-L275 WeakPolarHBondContact O-CG 3.42Å; S249-L275 PolarHBondContact O-N 3Å; P251-L275 HydrophobicContact CG-CD1 4.07Å; P251-L275 HydrophobicContact CG-CD2 3.92Å; P251-L275 HydrophobicContact CG-CG 4.06Å; M273-L275 HydrophobicContact CB-CD2 4.49Å; M273-L275 PolarHBondContact O-N 3.49Å; M273-L275 VanDerWaalsContact O-N 3.08Å; L275-I278 HydrophobicContact CD2-CD1 4.46Å; L275-I278 PolarHBondContact O-N 3.2Å; L275-V279 WeakPolarHBondContact O-CB 3.48Å; L275-V279 VanDerWaalsContact O-CG2 3.29Å; L275-V279 WeakPolarHBondContact O-CG2 3.4Å; L275-V279 PolarHBondContact O-N 3.27Å
276	L	90.8	Very high	91.3	Very high	128 Å²	128	41.4 Å²	41.4	67%	0.67	22%	0.217	S	C	*	.	H	α-helix	trans	-65.5	-44.2	176.2	-179.5	62.6	0	0	0	110.3	D274 I278 T280	D274-L276 VanDerWaalsContact C-N 3.28Å; D274-L276 PolarHBondContact O-N 3.24Å; D274-L276 PolarHBondContact OD1-N 2.96Å; L276-I278 VanDerWaalsContact C-N 3.32Å; L276-I278 PolarHBondContact O-N 3.42Å; L276-T280 HydrophobicContact CD1-CG2 4.02Å; L276-T280 WeakPolarHBondContact O-CB 3.33Å; L276-T280 VanDerWaalsContact O-CG2 3.31Å; L276-T280 WeakPolarHBondContact O-CG2 3.2Å; L276-T280 PolarHBondContact O-N 2.99Å; L276-T280 PolarHBondContact O-OG1 2.57Å
277	K	92.1	Very high	90.9	Very high	78 Å²	78	41.9 Å²	41.9	34%	0.339	22%	0.221	S	C	.	.	H	α-helix	trans	-63.1	-38.6	175.3	-72.9	-176.5	-171.3	143.7	0	112.5	D274 T280 C281 R284	D274-K277 HydrophobicContact CB-CB 3.99Å; D274-K277 HydrophobicContact CB-CD 3.93Å; D274-K277 HydrophobicContact CB-CG 4.09Å; D274-K277 VanDerWaalsContact CG-CG 3.4Å; D274-K277 PolarHBondContact O-N 2.9Å; D274-K277 VanDerWaalsContact O-N 3.13Å; D274-K277 WeakPolarHBondContact OD1-CG 3.29Å; D274-K277 PolarHBondContact OD1-N 2.92Å; D274-K277 WeakPolarHBondContact OD2-CD 3.45Å; D274-K277 WeakPolarHBondContact OD2-CE 3.4Å; D274-K277 WeakPolarHBondContact OD2-CG 3.48Å; D274-K277 IonicContact OD2-NZ 3.95Å; D274-K277 PolarHBondContact OD2-NZ 3.19Å; K277-T280 PolarHBondContact O-OG1 2.85Å; K277-C281 PolarHBondContact O-N 3.45Å; K277-C281 VanDerWaalsContact O-N 3.17Å; K277-R284 VanDerWaalsContact CB-NH1 3.27Å; K277-R284 VanDerWaalsContact CG-NH1 3.27Å
278	I	88.6	Confident	90.5	Very high	29 Å²	29	43.6 Å²	43.6	15%	0.149	23%	0.23	C	C	.	.	H	α-helix	trans	-65.4	-51.9	177.8	-73.9	170.4	0	0	0	110.8	M273 D274 L275 L276 T280 C281 L288	M273-I278 HydrophobicContact CB-CD1 3.84Å; M273-I278 HydrophobicContact CE-CD1 3.63Å; M273-I278 HydrophobicContact CG-CD1 4.48Å; D274-I278 WeakPolarHBondContact O-CG1 3.38Å; D274-I278 PolarHBondContact O-N 2.78Å; L275-I278 HydrophobicContact CD2-CD1 4.46Å; L275-I278 PolarHBondContact O-N 3.2Å; L276-I278 VanDerWaalsContact C-N 3.32Å; L276-I278 PolarHBondContact O-N 3.42Å; I278-T280 VanDerWaalsContact C-N 3.27Å; I278-T280 PolarHBondContact O-N 3.16Å; I278-C281 VanDerWaalsContact O-CB 3.23Å; I278-C281 WeakPolarHBondContact O-CB 3.38Å; I278-C281 PolarHBondContact O-N 3Å; I278-C281 PolarHBondContact O-SG 3.22Å; I278-L288 HydrophobicContact CG2-CD2 3.84Å
279	V	86.3	Confident	90.2	Very high	115 Å²	115	44.2 Å²	44.2	70%	0.697	23%	0.233	S	C	*	.	H	α-helix	trans	-65.7	-32.4	-178.4	173.3	0	0	0	0	111.6	L275	L275-V279 WeakPolarHBondContact O-CB 3.48Å; L275-V279 VanDerWaalsContact O-CG2 3.29Å; L275-V279 WeakPolarHBondContact O-CG2 3.4Å; L275-V279 PolarHBondContact O-N 3.27Å
280	T	86.5	Confident	89.9	Confident	37 Å²	37	48.8 Å²	48.8	23%	0.227	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	7.5	178.8	61.6	0	0	0	0	114.2	L276 K277 I278 K282 I283 R284	L276-T280 HydrophobicContact CD1-CG2 4.02Å; L276-T280 WeakPolarHBondContact O-CB 3.33Å; L276-T280 VanDerWaalsContact O-CG2 3.31Å; L276-T280 WeakPolarHBondContact O-CG2 3.2Å; L276-T280 PolarHBondContact O-N 2.99Å; L276-T280 PolarHBondContact O-OG1 2.57Å; K277-T280 PolarHBondContact O-OG1 2.85Å; I278-T280 VanDerWaalsContact C-N 3.27Å; I278-T280 PolarHBondContact O-N 3.16Å; T280-K282 PolarHBondContact O-N 2.94Å; T280-I283 PolarHBondContact O-N 2.74Å; T280-R284 WeakPolarHBondContact O-CG 3.37Å; T280-R284 PolarHBondContact O-N 2.73Å; T280-R284 WeakPolarHBondContact OG1-CD 3.18Å
281	C	86.2	Confident	89.7	Confident	4 Å²	4	49 Å²	49	3%	0.027	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-47	-171.5	67.5	0	0	0	0	113.3	K277 I278 I283 R284 G285 K286	K277-C281 PolarHBondContact O-N 3.45Å; K277-C281 VanDerWaalsContact O-N 3.17Å; I278-C281 VanDerWaalsContact O-CB 3.23Å; I278-C281 WeakPolarHBondContact O-CB 3.38Å; I278-C281 PolarHBondContact O-N 3Å; I278-C281 PolarHBondContact O-SG 3.22Å; C281-I283 PolarHBondContact O-N 3.35Å; C281-R284 CarbonylContact O-C 3.58Å; C281-R284 PolarHBondContact O-N 3.26Å; C281-G285 PolarHBondContact O-N 3.07Å; C281-K286 CarbonylContact C-O 3.56Å; C281-K286 WeakPolarHBondContact CB-O 3.48Å; C281-K286 PolarHBondContact O-N 2.75Å
282	K	80.6	Confident	89.7	Confident	48 Å²	48	50 Å²	50	21%	0.209	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-45.9	176.9	-81.1	-175.2	173.1	-176.9	0	112.7	L121 E139 M140 M141 T280 R284 G285	L121-K282 HydrophobicContact CD1-CG 4.06Å; E139-K282 WeakPolarHBondContact O-CD 3.42Å; E139-K282 PolarHBondContact O-NZ 2.83Å; M140-K282 PolarHBondContact O-NZ 3.18Å; M140-K282 VanDerWaalsContact O-NZ 3.15Å; M141-K282 HydrophobicContact CB-CD 4.35Å; T280-K282 PolarHBondContact O-N 2.94Å; K282-R284 PolarHBondContact O-N 2.99Å; K282-G285 PolarHBondContact O-N 2.9Å; K282-G285 VanDerWaalsContact O-N 3.13Å
283	I	83.8	Confident	89.7	Confident	92 Å²	92	53.6 Å²	53.6	47%	0.472	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-38.2	179	-61	173.9	0	0	0	110.2	R137 F138 T280 C281 G285	R137-I283 WeakPolarHBondContact O-CG1 3.37Å; F138-I283 HydrophobicContact CD1-CD1 4.22Å; F138-I283 HydrophobicContact CE1-CD1 4.48Å; T280-I283 PolarHBondContact O-N 2.74Å; C281-I283 PolarHBondContact O-N 3.35Å; I283-G285 VanDerWaalsContact C-N 3.3Å; I283-G285 PolarHBondContact O-N 3.29Å
284	R	84.4	Confident	89.8	Confident	112 Å²	112	54.6 Å²	54.6	42%	0.423	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.6	179.5	-65	170	66.1	-142.7	1.2	113.6	K277 T280 C281 K282 K286	K277-R284 VanDerWaalsContact CB-NH1 3.27Å; K277-R284 VanDerWaalsContact CG-NH1 3.27Å; T280-R284 WeakPolarHBondContact O-CG 3.37Å; T280-R284 PolarHBondContact O-N 2.73Å; T280-R284 WeakPolarHBondContact OG1-CD 3.18Å; C281-R284 CarbonylContact O-C 3.58Å; C281-R284 PolarHBondContact O-N 3.26Å; K282-R284 PolarHBondContact O-N 2.99Å; R284-K286 VanDerWaalsContact C-N 3.26Å; R284-K286 HydrophobicContact CB-CG 4.04Å; R284-K286 PolarHBondContact O-N 3.2Å
285	G	85.6	Confident	89.8	Confident	49 Å²	49	55.6 Å²	55.6	51%	0.505	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	32.9	-174.8	0	0	0	0	0	113.2	C281 K282 I283	C281-G285 PolarHBondContact O-N 3.07Å; K282-G285 PolarHBondContact O-N 2.9Å; K282-G285 VanDerWaalsContact O-N 3.13Å; I283-G285 VanDerWaalsContact C-N 3.3Å; I283-G285 PolarHBondContact O-N 3.29Å
286	K	89.3	Confident	90	Very high	87 Å²	87	58 Å²	58	38%	0.378	30%	0.301	S	S	.	.			trans	-116.2	154.4	-179.1	-59	-49.1	-158.4	167.4	0	110.8	C281 R284	C281-K286 CarbonylContact C-O 3.56Å; C281-K286 WeakPolarHBondContact CB-O 3.48Å; C281-K286 PolarHBondContact O-N 2.75Å; R284-K286 VanDerWaalsContact C-N 3.26Å; R284-K286 HydrophobicContact CB-CG 4.04Å; R284-K286 PolarHBondContact O-N 3.2Å
287	A	90	Very high	90.3	Very high	10 Å²	10	61.3 Å²	61.3	8%	0.083	31%	0.309	C	S	.	.			trans	-80.6	166.2	172.7	0	0	0	0	0	112.1	G119 N289 Q290	G119-A287 VanDerWaalsContact O-CB 3.26Å; G119-A287 WeakPolarHBondContact O-CB 3.39Å; A287-N289 WeakPolarHBondContact CB-OD1 3.41Å; A287-N289 PolarHBondContact O-N 2.96Å; A287-Q290 PolarHBondContact O-N 3.12Å
288	L	89.3	Confident	90.5	Very high	39 Å²	39	60.2 Å²	60.2	20%	0.204	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-62.6	-41.9	-176.9	-71	174.2	0	0	0	113.2	F118 M141 I278 Q290 G291	F118-L288 WeakPolarHBondContact O-CB 3.27Å; F118-L288 PolarHBondContact O-N 2.92Å; M141-L288 HydrophobicContact CE-CD1 3.5Å; M141-L288 HydrophobicContact CE-CD2 3.51Å; M141-L288 HydrophobicContact CE-CG 3.81Å; M141-L288 HydrophobicContact SD-CD1 4.03Å; M141-L288 HydrophobicContact SD-CD2 4.05Å; M141-L288 HydrophobicContact SD-CG 4.01Å; I278-L288 HydrophobicContact CG2-CD2 3.84Å; L288-Q290 PolarHBondContact O-N 3.09Å; L288-G291 PolarHBondContact O-N 2.75Å
289	N	91.6	Very high	90.9	Very high	19 Å²	19	62 Å²	62	10%	0.102	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-56.4	-24.8	-179.3	70.5	-23.5	0	0	0	113.4	F118 A287 G291 I292 I350	F118-N289 HydrophobicContact CD1-CB 4.05Å; F118-N289 HydrophobicContact CE1-CB 3.61Å; F118-N289 HydrophobicContact CE2-CB 4.15Å; F118-N289 HydrophobicContact CZ-CB 3.66Å; F118-N289 PolarHBondContact O-N 2.87Å; A287-N289 WeakPolarHBondContact CB-OD1 3.41Å; A287-N289 PolarHBondContact O-N 2.96Å; N289-G291 PolarHBondContact O-N 2.8Å; N289-I292 PolarHBondContact O-N 3.26Å; N289-I350 HydrophobicContact CB-CG2 4.13Å
290	Q	92.2	Very high	91.5	Very high	98 Å²	98	56.5 Å²	56.5	46%	0.458	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-71.7	-10.2	175.8	-59.8	-169.7	25.4	0	0	113.9	A287 L288 I292	A287-Q290 PolarHBondContact O-N 3.12Å; L288-Q290 PolarHBondContact O-N 3.09Å; Q290-I292 VanDerWaalsContact C-N 3.35Å
291	G	93	Very high	92	Very high	3 Å²	3	55.5 Å²	55.5	3%	0.031	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-84.4	-8.7	168	0	0	0	0	0	113.5	D274 L288 N289	D274-G291 WeakPolarHBondContact CB-O 3.3Å; D274-G291 PolarHBondContact N-O 2.87Å; L288-G291 PolarHBondContact O-N 2.75Å; N289-G291 PolarHBondContact O-N 2.8Å
292	I	95.1	Very high	92.6	Very high	23 Å²	23	55.3 Å²	55.3	12%	0.118	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	134	-176.3	-53.2	-173.6	0	0	0	109.7	F118 I271 K272 M273 N289 Q290 I350	F118-I292 HydrophobicContact CE2-CD1 3.59Å; F118-I292 HydrophobicContact CZ-CD1 3.94Å; I271-I292 HydrophobicContact CG2-CG2 3.42Å; I271-I292 VanDerWaalsContact CG2-CG2 3.42Å; K272-I292 CarbonylContact O-C 3.56Å; K272-I292 VanDerWaalsContact O-CA 3.3Å; K272-I292 WeakPolarHBondContact O-CA 3.09Å; M273-I292 HydrophobicContact CG-CD1 4.44Å; M273-I292 HydrophobicContact CG-CG1 4.2Å; N289-I292 PolarHBondContact O-N 3.26Å; Q290-I292 VanDerWaalsContact C-N 3.35Å; I292-I350 HydrophobicContact CG2-CG1 4.41Å
293	Y	96.1	Very high	93.4	Very high	81 Å²	81	53.3 Å²	53.3	32%	0.318	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	156.3	-179.3	68.4	-80.9	0	0	0	112.4	H250 I271 K272 D274 D295	H250-Y293 AromaticContact ND1-CE1 3.79Å; H250-Y293 AromaticContact ND1-CZ 3.85Å; H250-Y293 PolarHBondContact ND1-OH 2.93Å; I271-Y293 CarbonylContact C-O 3.53Å; I271-Y293 WeakPolarHBondContact CA-O 3.43Å; K272-Y293 HydrophobicContact CB-CD1 4.28Å; K272-Y293 HydrophobicContact CB-CE1 3.7Å; K272-Y293 HydrophobicContact CB-CE2 4.13Å; K272-Y293 PolarHBondContact N-O 3.47Å; K272-Y293 WeakPolarHBondContact O-CD1 3.49Å; K272-Y293 PolarHBondContact O-N 3.29Å; D274-Y293 HydrophobicContact CB-CE1 4.21Å; Y293-D295 HydrophobicContact CD2-CB 4.46Å; Y293-D295 HydrophobicContact CE2-CB 4.03Å
294	W	96.4	Very high	94.1	Very high	49 Å²	49	49 Å²	49	19%	0.186	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130	174.1	173.1	-118.5	0	0	0	111.3	P270 I271 P296 A321	P270-W294 HydrophobicContact CB-CE3 3.81Å; P270-W294 HydrophobicContact CB-CH2 3.95Å; P270-W294 HydrophobicContact CB-CZ3 3.53Å; P270-W294 HydrophobicContact CG-CE3 4.27Å; P270-W294 HydrophobicContact CG-CH2 3.57Å; P270-W294 HydrophobicContact CG-CZ2 4.43Å; P270-W294 HydrophobicContact CG-CZ3 3.48Å; P270-W294 VanDerWaalsContact CG-CZ3 3.48Å; I271-W294 HydrophobicContact CG1-CE3 3.81Å; I271-W294 HydrophobicContact CG1-CZ3 4.17Å; W294-P296 HydrophobicContact CZ2-CB 4.33Å; W294-A321 HydrophobicContact CH2-CB 3.93Å; W294-A321 HydrophobicContact CZ2-CB 3.8Å
295	D	96.8	Very high	94.7	Very high	38 Å²	38	43.7 Å²	43.7	20%	0.203	22%	0.222	C	C	.	.			trans	-118.8	87.9	174.7	-171.3	-3.7	0	0	0	111.5	P270 K272 Y293 K297 Q298	P270-D295 WeakPolarHBondContact CB-O 3.47Å; P270-D295 PolarHBondContact O-N 3.26Å; K272-D295 HydrophobicContact CG-CB 4.43Å; Y293-D295 HydrophobicContact CD2-CB 4.46Å; Y293-D295 HydrophobicContact CE2-CB 4.03Å; D295-K297 PolarHBondContact O-N 2.98Å; D295-K297 WeakPolarHBondContact OD1-CB 3.22Å; D295-K297 PolarHBondContact OD1-N 2.82Å; D295-Q298 HydrophobicContact CB-CG 4.4Å; D295-Q298 PolarHBondContact O-N 2.88Å; D295-Q298 VanDerWaalsContact O-N 3.11Å; D295-Q298 PolarHBondContact OD2-NE2 2.79Å
296	P	95.8	Very high	95.3	Very high	80 Å²	80	42.9 Å²	42.9	52%	0.519	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-8.1	-175	25.9	-32.7	0	0	0	114.1	W294 Q298 A321	W294-P296 HydrophobicContact CZ2-CB 4.33Å; P296-Q298 VanDerWaalsContact C-N 3.29Å; P296-A321 WeakPolarHBondContact O-CB 3.35Å
297	K	96.4	Very high	95.6	Very high	196 Å²	196	39 Å²	39	85%	0.852	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-14.6	177.2	-61.7	179.5	-178.5	177.1	0	112.3	D295	D295-K297 PolarHBondContact O-N 2.98Å; D295-K297 WeakPolarHBondContact OD1-CB 3.22Å; D295-K297 PolarHBondContact OD1-N 2.82Å
298	Q	96.4	Very high	95.8	Very high	55 Å²	55	47.7 Å²	47.7	26%	0.257	22%	0.22	S	C	.	.	S	Bend	trans	-92.1	141.9	177.9	-62.1	-171	45.5	0	0	111	P270 D295 P296 A321	P270-Q298 HydrophobicContact CB-CB 4.28Å; D295-Q298 HydrophobicContact CB-CG 4.4Å; D295-Q298 PolarHBondContact O-N 2.88Å; D295-Q298 VanDerWaalsContact O-N 3.11Å; D295-Q298 PolarHBondContact OD2-NE2 2.79Å; P296-Q298 VanDerWaalsContact C-N 3.29Å; Q298-A321 VanDerWaalsContact O-CB 3.31Å; Q298-A321 WeakPolarHBondContact O-CB 3.5Å
299	E	97.1	Very high	96.1	Very high	66 Å²	66	49.4 Å²	49.4	31%	0.308	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-73.5	155.6	169.1	-68.8	173.2	169.8	0	0	110.5	H318 T319 K413	E299-H318 IonicContact OE2-CE1 3.59Å; E299-H318 IonicContact OE2-CG 2.63Å; E299-H318 IonicContact OE2-ND1 3.39Å; E299-H318 PolarHBondContact OE2-ND1 3.08Å; E299-T319 WeakPolarHBondContact CA-O 3.42Å; E299-T319 VanDerWaalsContact CB-O 3.28Å; E299-T319 WeakPolarHBondContact CB-O 3.29Å; E299-K413 IonicContact OE1-NZ 3.25Å; E299-K413 PolarHBondContact OE1-NZ 2.87Å; E299-K413 WeakPolarHBondContact OE2-CE 3.34Å; E299-K413 IonicContact OE2-NZ 3.75Å; E299-K413 PolarHBondContact OE2-NZ 2.8Å
300	T	98.3	Very high	96.3	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	135.7	167.2	-52.7	0	0	0	0	108.8	I267 E268 Q269 F302 H318 T319 K320 I322	I267-T300 HydrophobicContact CG2-CG2 3.55Å; E268-T300 WeakPolarHBondContact O-CA 3.5Å; Q269-T300 HydrophobicContact CB-CG2 4.4Å; T300-F302 HydrophobicContact CG2-CE1 4.39Å; T300-H318 CarbonylContact O-C 3.59Å; T300-H318 WeakPolarHBondContact O-CA 3.31Å; T300-T319 HydrophobicContact CG2-CG2 4.29Å; T300-T319 PolarHBondContact N-O 3.39Å; T300-T319 PolarHBondContact O-N 3.18Å; T300-K320 PolarHBondContact OG1-O 2.92Å; T300-K320 VanDerWaalsContact OG1-O 3.13Å; T300-I322 HydrophobicContact CG2-CD1 4.41Å; T300-I322 HydrophobicContact CG2-CG1 3.93Å; T300-I322 VanDerWaalsContact OG1-CG1 3.29Å; T300-I322 WeakPolarHBondContact OG1-CG1 3.36Å; T300-I322 PolarHBondContact OG1-N 3.26Å; T300-I322 VanDerWaalsContact OG1-N 3.07Å; T300-I322 PolarHBondContact OG1-O 3.06Å
301	V	98.3	Very high	96.5	Very high	17 Å²	17	49.8 Å²	49.8	10%	0.103	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.2	-176.1	-171.3	0	0	0	0	110.4	E268 K316 Y317	E268-V301 HydrophobicContact CB-CB 4.32Å; E268-V301 PolarHBondContact N-O 3.22Å; E268-V301 PolarHBondContact O-N 3.31Å; V301-K316 HydrophobicContact CG1-CB 4.11Å; V301-K316 HydrophobicContact CG1-CD 4.18Å; V301-K316 HydrophobicContact CG1-CG 4.4Å; V301-Y317 CarbonylContact C-O 3.54Å; V301-Y317 WeakPolarHBondContact CA-O 3.32Å
302	F	98.5	Very high	96.7	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	116.4	169.1	-46	-68.2	0	0	0	109.5	V265 F266 I267 T300 L304 Y317 T319 M341 F380 L382	V265-F302 HydrophobicContact CG1-CB 3.94Å; V265-F302 HydrophobicContact CG1-CD1 4.34Å; F266-F302 WeakPolarHBondContact O-CA 3.39Å; I267-F302 HydrophobicContact CB-CD1 4.33Å; I267-F302 HydrophobicContact CB-CE1 4.47Å; I267-F302 HydrophobicContact CG1-CD1 3.8Å; I267-F302 HydrophobicContact CG1-CE1 3.98Å; I267-F302 HydrophobicContact CG2-CD1 4.07Å; I267-F302 HydrophobicContact CG2-CE1 3.83Å; T300-F302 HydrophobicContact CG2-CE1 4.39Å; F302-L304 HydrophobicContact CB-CD1 4.38Å; F302-Y317 PolarHBondContact N-O 3.46Å; F302-Y317 PolarHBondContact O-N 3.48Å; F302-T319 HydrophobicContact CE2-CG2 3.72Å; F302-T319 HydrophobicContact CZ-CG2 3.71Å; F302-M341 HydrophobicContact CD1-CE 4.32Å; F302-M341 HydrophobicContact CE1-CE 3.37Å; F302-M341 HydrophobicContact CE1-SD 4.28Å; F302-M341 HydrophobicContact CZ-CE 3.7Å; F302-F380 AromaticContact CE2-CD1 3.76Å; F302-F380 HydrophobicContact CE2-CD1 3.76Å; F302-F380 HydrophobicContact CE2-CD2 4.48Å; F302-F380 AromaticContact CE2-CE1 3.99Å; F302-F380 HydrophobicContact CE2-CE1 3.99Å; F302-F380 HydrophobicContact CE2-CG 4.02Å; F302-F380 HydrophobicContact CE2-CZ 4.43Å; F302-F380 AromaticContact CZ-CD1 3.98Å; F302-F380 HydrophobicContact CZ-CD1 3.98Å; F302-F380 AromaticContact CZ-CD2 3.94Å; F302-F380 HydrophobicContact CZ-CD2 3.94Å; F302-F380 AromaticContact CZ-CE1 3.99Å; F302-F380 HydrophobicContact CZ-CE1 3.99Å; F302-F380 AromaticContact CZ-CE2 3.94Å; F302-F380 HydrophobicContact CZ-CE2 3.94Å; F302-F380 AromaticContact CZ-CG 3.95Å; F302-F380 HydrophobicContact CZ-CG 3.95Å; F302-F380 AromaticContact CZ-CZ 3.96Å; F302-F380 HydrophobicContact CZ-CZ 3.96Å; F302-L382 HydrophobicContact CB-CD1 4.27Å; F302-L382 HydrophobicContact CD2-CD1 4.48Å; F302-L382 HydrophobicContact CD2-CD2 4.31Å; F302-L382 HydrophobicContact CG-CD1 4.47Å
303	H	98	Very high	96.7	Very high	5 Å²	5	53 Å²	53	2%	0.023	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.3	172.3	-55.9	-102.9	0	0	0	108.4	I243 V265 F266 E268 I305	I243-H303 HydrophobicContact CD1-CB 4.17Å; V265-H303 WeakPolarHBondContact CA-O 3.3Å; F266-H303 HydrophobicContact CB-CB 4.26Å; F266-H303 HydrophobicContact CD1-CB 4.23Å; F266-H303 AromaticContact CD1-CD2 3.41Å; F266-H303 VanDerWaalsContact CD1-CD2 3.41Å; F266-H303 WeakPolarHBondContact CD1-CD2 3.24Å; F266-H303 AromaticContact CD1-CG 3.98Å; F266-H303 AromaticContact CE1-CD2 3.85Å; F266-H303 PolarHBondContact N-O 3.16Å; F266-H303 PolarHBondContact O-N 3.3Å; E268-H303 WeakPolarHBondContact CB-NE2 3.43Å; E268-H303 IonicContact OE2-CE1 3.61Å; E268-H303 PolarHBondContact OE2-CE1 3.03Å; E268-H303 IonicContact OE2-NE2 2.69Å; E268-H303 PolarHBondContact OE2-NE2 3.01Å; H303-I305 HydrophobicContact CB-CD1 4.4Å; H303-I305 WeakPolarHBondContact O-CD1 3.4Å
304	L	97.6	Very high	96.5	Very high	2 Å²	2	53 Å²	53	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.1	177.7	-86.4	61.7	0	0	0	109.8	V265 F302 I313 Y317 L337 L382 L384	V265-L304 HydrophobicContact CG1-CD1 4.28Å; V265-L304 HydrophobicContact CG2-CD1 4.41Å; V265-L304 HydrophobicContact CG2-CG 4.43Å; F302-L304 HydrophobicContact CB-CD1 4.38Å; L304-I313 HydrophobicContact CB-CB 4.04Å; L304-I313 HydrophobicContact CB-CG1 3.99Å; L304-I313 PolarHBondContact O-N 2.8Å; L304-Y317 HydrophobicContact CD1-CD2 3.63Å; L304-Y317 HydrophobicContact CD1-CE2 3.8Å; L304-Y317 HydrophobicContact CD2-CD2 4.38Å; L304-Y317 HydrophobicContact CD2-CE2 3.71Å; L304-Y317 HydrophobicContact CG-CE2 4.31Å; L304-L337 HydrophobicContact CD2-CD2 3.9Å; L304-L337 HydrophobicContact CG-CD2 4.07Å; L304-L382 HydrophobicContact CD1-CD1 3.94Å; L304-L384 HydrophobicContact CD2-CD2 4.02Å
305	I	98.1	Very high	96.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.5	-179.1	-57.3	91.9	0	0	0	107.8	I220 C241 I243 Y263 V264 F266 H303 K307 E311 V312	I220-I305 HydrophobicContact CD1-CD1 4.42Å; I220-I305 HydrophobicContact CG1-CD1 4.35Å; I220-I305 HydrophobicContact CG1-CG1 4.29Å; C241-I305 VanDerWaalsContact SG-CG2 3.51Å; I243-I305 HydrophobicContact CD1-CD1 3.72Å; I243-I305 HydrophobicContact CD1-CG1 4.12Å; Y263-I305 CarbonylContact C-O 3.12Å; Y263-I305 VanDerWaalsContact CA-O 3.27Å; Y263-I305 WeakPolarHBondContact CA-O 3.48Å; V264-I305 HydrophobicContact CB-CB 4.28Å; V264-I305 HydrophobicContact CG1-CD1 4.26Å; V264-I305 PolarHBondContact N-O 3.41Å; V264-I305 WeakPolarHBondContact O-CD1 3.19Å; V264-I305 PolarHBondContact O-N 2.83Å; F266-I305 HydrophobicContact CB-CD1 4.31Å; H303-I305 HydrophobicContact CB-CD1 4.4Å; H303-I305 WeakPolarHBondContact O-CD1 3.4Å; I305-K307 PolarHBondContact O-N 3.42Å; I305-E311 WeakPolarHBondContact CA-O 3.34Å; I305-V312 HydrophobicContact CG1-CG2 4.2Å
306	D	97.4	Very high	96.3	Very high	32 Å²	32	53.4 Å²	53.4	17%	0.171	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	120.3	171.7	-177.8	-69.3	0	0	0	109.5	Y263 R308 S309 G310 E311	Y263-D306 HydrophobicContact CE1-CB 4.43Å; D306-R308 VanDerWaalsContact C-N 3.26Å; D306-R308 PolarHBondContact O-N 3.24Å; D306-R308 WeakPolarHBondContact OD1-CA 3.43Å; D306-R308 VanDerWaalsContact OD1-CB 3.29Å; D306-R308 WeakPolarHBondContact OD1-CB 3.38Å; D306-R308 PolarHBondContact OD1-N 2.99Å; D306-S309 WeakPolarHBondContact CB-OG 3.3Å; D306-S309 PolarHBondContact OD1-N 2.79Å; D306-S309 PolarHBondContact OD1-OG 3.04Å; D306-G310 WeakPolarHBondContact O-CA 3.47Å; D306-G310 PolarHBondContact O-N 3.16Å; D306-E311 PolarHBondContact N-O 2.93Å
307	K	95.8	Very high	96.4	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.026	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-26.6	-176.8	-76.7	172.8	63.3	-165.7	0	113.3	D199 Y205 M259 S260 E261 N262 V264 I305	D199-K307 VanDerWaalsContact CG-NZ 3.35Å; D199-K307 IonicContact OD1-NZ 3.86Å; D199-K307 PolarHBondContact OD1-NZ 2.77Å; D199-K307 IonicContact OD2-NZ 2.73Å; D199-K307 PolarHBondContact OD2-NZ 2.8Å; D199-K307 VanDerWaalsContact OD2-NZ 3.14Å; Y205-K307 HydrophobicContact CE1-CB 4.45Å; Y205-K307 HydrophobicContact CE1-CG 4.16Å; M259-K307 HydrophobicContact CG-CD 4.07Å; M259-K307 HydrophobicContact SD-CD 4.36Å; S260-K307 WeakPolarHBondContact O-CD 3.39Å; S260-K307 PolarHBondContact O-NZ 3.22Å; E261-K307 WeakPolarHBondContact O-CD 3.45Å; E261-K307 PolarHBondContact O-NZ 2.78Å; N262-K307 VanDerWaalsContact O-CB 3.31Å; N262-K307 WeakPolarHBondContact O-CB 3.23Å; N262-K307 WeakPolarHBondContact O-CG 3.46Å; N262-K307 PolarHBondContact O-N 3.44Å; V264-K307 HydrophobicContact CG2-CD 4.26Å; V264-K307 HydrophobicContact CG2-CG 3.82Å; I305-K307 PolarHBondContact O-N 3.42Å
308	R	93.4	Very high	96.5	Very high	193 Å²	193	41.5 Å²	41.5	73%	0.728	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-48.3	-173.5	-56.2	178.3	-177.3	-165.2	-1.1	110.2	N262 D306	N262-R308 VanDerWaalsContact OD1-CZ 3.26Å; N262-R308 PolarHBondContact OD1-NE 3.46Å; N262-R308 VanDerWaalsContact OD1-NE 3.13Å; N262-R308 PolarHBondContact OD1-NH2 2.94Å; D306-R308 VanDerWaalsContact C-N 3.26Å; D306-R308 PolarHBondContact O-N 3.24Å; D306-R308 WeakPolarHBondContact OD1-CA 3.43Å; D306-R308 VanDerWaalsContact OD1-CB 3.29Å; D306-R308 WeakPolarHBondContact OD1-CB 3.38Å; D306-R308 PolarHBondContact OD1-N 2.99Å
309	S	95.3	Very high	96.6	Very high	74 Å²	74	39.1 Å²	39.1	52%	0.517	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-25	-179.1	68.4	0	0	0	0	113.3	D306 E311	D306-S309 WeakPolarHBondContact CB-OG 3.3Å; D306-S309 PolarHBondContact OD1-N 2.79Å; D306-S309 PolarHBondContact OD1-OG 3.04Å; S309-E311 WeakPolarHBondContact OG-CB 3.42Å; S309-E311 PolarHBondContact OG-N 2.71Å
310	G	95.8	Very high	96.6	Very high	10 Å²	10	42.8 Å²	42.8	10%	0.103	21%	0.213	C	C	.	.			trans	73.9	11.7	-167.5	0	0	0	0	0	113.3	C241 D306	C241-G310 WeakPolarHBondContact CB-O 3.31Å; D306-G310 WeakPolarHBondContact O-CA 3.47Å; D306-G310 PolarHBondContact O-N 3.16Å
311	E	96.8	Very high	96.6	Very high	115 Å²	115	43.6 Å²	43.6	54%	0.537	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-74.7	131	179.2	-172.1	178	176.4	0	0	110.9	I305 D306 S309 I313	I305-E311 WeakPolarHBondContact CA-O 3.34Å; D306-E311 PolarHBondContact N-O 2.93Å; S309-E311 WeakPolarHBondContact OG-CB 3.42Å; S309-E311 PolarHBondContact OG-N 2.71Å; E311-I313 PolarHBondContact O-N 3.31Å
312	V	96.8	Very high	96.6	Very high	50 Å²	50	42.9 Å²	42.9	30%	0.303	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-81	116.8	169.8	-176.5	0	0	0	0	107.9	C241 I243 I305 P314	C241-V312 HydrophobicContact CB-CG2 4.33Å; I243-V312 HydrophobicContact CG1-CG2 4.11Å; I305-V312 HydrophobicContact CG1-CG2 4.2Å; V312-P314 WeakPolarHBondContact O-CD 3.34Å
313	I	94.8	Very high	96.5	Very high	43 Å²	43	43.1 Å²	43.1	22%	0.221	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-63.3	125.7	-179.8	-55.5	-57.5	0	0	0	108.9	Y263 L304 E311 M315	Y263-I313 HydrophobicContact CE1-CD1 4.37Å; Y263-I313 HydrophobicContact CE1-CG1 4.24Å; L304-I313 HydrophobicContact CB-CB 4.04Å; L304-I313 HydrophobicContact CB-CG1 3.99Å; L304-I313 PolarHBondContact O-N 2.8Å; E311-I313 PolarHBondContact O-N 3.31Å; I313-M315 HydrophobicContact CG2-CB 4.24Å; I313-M315 PolarHBondContact O-N 2.86Å
314	P	92.6	Very high	96.5	Very high	81 Å²	81	43.2 Å²	43.2	53%	0.526	22%	0.218	S	C	.	.	S	Bend	trans	-63.6	-25.6	-175.6	-26.5	35	0	0	0	114.5	V312 K316 Y412	V312-P314 WeakPolarHBondContact O-CD 3.34Å; P314-K316 PolarHBondContact O-N 2.61Å; P314-Y412 HydrophobicContact CB-CD1 4.38Å
315	M	94.1	Very high	96.5	Very high	11 Å²	11	44.3 Å²	44.3	5%	0.054	22%	0.223	C	C	.	.			trans	-71.2	124	177.4	-173.9	59	60	0	0	110.5	I313 Y317 V386 A411 V414	I313-M315 HydrophobicContact CG2-CB 4.24Å; I313-M315 PolarHBondContact O-N 2.86Å; M315-Y317 HydrophobicContact CG-CE1 4.49Å; M315-Y317 HydrophobicContact CG-CE2 4.2Å; M315-V386 HydrophobicContact CE-CB 4.13Å; M315-V386 HydrophobicContact CE-CG1 3.58Å; M315-V386 HydrophobicContact CG-CB 4.25Å; M315-V386 HydrophobicContact CG-CG1 4.42Å; M315-V386 HydrophobicContact SD-CG1 4.18Å; M315-A411 WeakPolarHBondContact CE-O 3.3Å; M315-V414 HydrophobicContact CG-CG2 4.15Å; M315-V414 HydrophobicContact SD-CG2 3.71Å
316	K	94.3	Very high	96.5	Very high	86 Å²	86	45.1 Å²	45.1	37%	0.374	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.9	176.3	-65.7	-177.5	175.3	-174.7	0	110.9	V301 P314 Y412 V414	V301-K316 HydrophobicContact CG1-CB 4.11Å; V301-K316 HydrophobicContact CG1-CD 4.18Å; V301-K316 HydrophobicContact CG1-CG 4.4Å; P314-K316 PolarHBondContact O-N 2.61Å; K316-Y412 PolarHBondContact N-O 3.32Å; K316-Y412 VanDerWaalsContact N-O 3.08Å; K316-V414 PolarHBondContact O-N 3.25Å
317	Y	98.1	Very high	96.6	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.8	173.7	-55.6	-93.4	0	0	0	108.3	V301 F302 L304 M315 L382 P383 V414	V301-Y317 CarbonylContact C-O 3.54Å; V301-Y317 WeakPolarHBondContact CA-O 3.32Å; F302-Y317 PolarHBondContact N-O 3.46Å; F302-Y317 PolarHBondContact O-N 3.48Å; L304-Y317 HydrophobicContact CD1-CD2 3.63Å; L304-Y317 HydrophobicContact CD1-CE2 3.8Å; L304-Y317 HydrophobicContact CD2-CD2 4.38Å; L304-Y317 HydrophobicContact CD2-CE2 3.71Å; L304-Y317 HydrophobicContact CG-CE2 4.31Å; M315-Y317 HydrophobicContact CG-CE1 4.49Å; M315-Y317 HydrophobicContact CG-CE2 4.2Å; Y317-L382 HydrophobicContact CD1-CB 4.07Å; Y317-L382 HydrophobicContact CD1-CD2 3.89Å; Y317-L382 HydrophobicContact CD1-CG 4.43Å; Y317-L382 HydrophobicContact CD2-CD1 4.26Å; Y317-L382 HydrophobicContact CE1-CB 4.08Å; Y317-L382 HydrophobicContact CG-CB 4.36Å; Y317-L382 HydrophobicContact CG-CD1 4.21Å; Y317-L382 HydrophobicContact CG-CD2 3.94Å; Y317-L382 HydrophobicContact CG-CG 4.4Å; Y317-P383 HydrophobicContact CE1-CG 4.12Å; Y317-P383 PolarHBondContact OH-O 2.92Å; Y317-V414 CarbonylContact C-O 3.55Å; Y317-V414 WeakPolarHBondContact CA-O 3.17Å; Y317-V414 HydrophobicContact CD1-CB 3.76Å; Y317-V414 HydrophobicContact CD1-CG1 3.89Å; Y317-V414 HydrophobicContact CD1-CG2 4.33Å; Y317-V414 HydrophobicContact CE1-CB 4.08Å; Y317-V414 HydrophobicContact CE1-CG1 4.23Å; Y317-V414 HydrophobicContact CE1-CG2 4.15Å
318	H	98.4	Very high	96.7	Very high	25 Å²	25	44.9 Å²	44.9	12%	0.116	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	149	-175.6	-72.5	-116.1	0	0	0	109.5	E299 T300 K413 V414 F415 C416	E299-H318 IonicContact OE2-CE1 3.59Å; E299-H318 IonicContact OE2-CG 2.63Å; E299-H318 IonicContact OE2-ND1 3.39Å; E299-H318 PolarHBondContact OE2-ND1 3.08Å; T300-H318 CarbonylContact O-C 3.59Å; T300-H318 WeakPolarHBondContact O-CA 3.31Å; H318-K413 VanDerWaalsContact ND1-CE 3.35Å; H318-K413 WeakPolarHBondContact ND1-CE 3.35Å; H318-V414 PolarHBondContact N-O 2.96Å; H318-F415 HydrophobicContact CB-CD2 4.24Å; H318-F415 CarbonylContact O-C 3.58Å; H318-F415 WeakPolarHBondContact O-CA 3.28Å; H318-C416 PolarHBondContact O-N 3.3Å
319	T	98.6	Very high	97	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	173.6	167.1	-178.9	0	0	0	0	109.2	E299 T300 F302 I322 F380 C416	E299-T319 WeakPolarHBondContact CA-O 3.42Å; E299-T319 VanDerWaalsContact CB-O 3.28Å; E299-T319 WeakPolarHBondContact CB-O 3.29Å; T300-T319 HydrophobicContact CG2-CG2 4.29Å; T300-T319 PolarHBondContact N-O 3.39Å; T300-T319 PolarHBondContact O-N 3.18Å; F302-T319 HydrophobicContact CE2-CG2 3.72Å; F302-T319 HydrophobicContact CZ-CG2 3.71Å; T319-I322 HydrophobicContact CG2-CD1 3.78Å; T319-I322 HydrophobicContact CG2-CG1 4.09Å; T319-F380 HydrophobicContact CG2-CE1 3.78Å; T319-F380 HydrophobicContact CG2-CZ 3.9Å; T319-F380 WeakPolarHBondContact OG1-CE1 3.41Å; T319-C416 WeakPolarHBondContact CB-O 3.32Å; T319-C416 PolarHBondContact OG1-O 3Å
320	K	97.9	Very high	97.1	Very high	142 Å²	142	32.4 Å²	32.4	62%	0.617	17%	0.166	S	C	*	.	S	Bend	trans	-54.6	163.5	171.6	-66	-174.4	177.8	175.7	0	110.9	T300 I322 F415	T300-K320 PolarHBondContact OG1-O 2.92Å; T300-K320 VanDerWaalsContact OG1-O 3.13Å; K320-I322 PolarHBondContact O-N 2.83Å; K320-F415 HydrophobicContact CG-CZ 3.94Å
321	A	98.1	Very high	97.3	Very high	18 Å²	18	32.2 Å²	32.2	15%	0.149	16%	0.163	C	C	.	.	S	Bend	trans	-53.6	116	172.1	0	0	0	0	0	109.7	P270 W294 P296 Q298	P270-A321 HydrophobicContact CG-CB 3.84Å; W294-A321 HydrophobicContact CH2-CB 3.93Å; W294-A321 HydrophobicContact CZ2-CB 3.8Å; P296-A321 WeakPolarHBondContact O-CB 3.35Å; Q298-A321 VanDerWaalsContact O-CB 3.31Å; Q298-A321 WeakPolarHBondContact O-CB 3.5Å
322	I	97.8	Very high	97.3	Very high	2 Å²	2	29 Å²	29	1%	0.01	15%	0.148	C	C	.	.			trans	-139.3	148.4	173	58.2	171.3	0	0	0	107.5	P270 T300 T319 K320 M341 S344 F380	P270-I322 WeakPolarHBondContact CD-O 3.2Å; T300-I322 HydrophobicContact CG2-CD1 4.41Å; T300-I322 HydrophobicContact CG2-CG1 3.93Å; T300-I322 VanDerWaalsContact OG1-CG1 3.29Å; T300-I322 WeakPolarHBondContact OG1-CG1 3.36Å; T300-I322 PolarHBondContact OG1-N 3.26Å; T300-I322 VanDerWaalsContact OG1-N 3.07Å; T300-I322 PolarHBondContact OG1-O 3.06Å; T319-I322 HydrophobicContact CG2-CD1 3.78Å; T319-I322 HydrophobicContact CG2-CG1 4.09Å; K320-I322 PolarHBondContact O-N 2.83Å; I322-M341 HydrophobicContact CD1-SD 4.4Å; I322-S344 CarbonylContact C-O 3.54Å; I322-S344 VanDerWaalsContact CA-O 3.31Å; I322-S344 WeakPolarHBondContact CA-O 3.12Å; I322-F380 HydrophobicContact CD1-CE2 3.93Å; I322-F380 HydrophobicContact CD1-CZ 3.66Å
323	S	97.5	Very high	97.3	Very high	5 Å²	5	29.9 Å²	29.9	4%	0.035	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-109.2	154.2	166.5	69.4	0	0	0	0	111.1	Q269 C343 S344 G346	Q269-S323 VanDerWaalsContact OE1-CA 3.25Å; S323-C343 WeakPolarHBondContact O-CA 3.48Å; S323-S344 PolarHBondContact N-O 3.09Å; S323-S344 PolarHBondContact O-N 2.76Å; S323-G346 VanDerWaalsContact CB-O 3.23Å; S323-G346 WeakPolarHBondContact CB-O 3.31Å; S323-G346 PolarHBondContact OG-O 3.45Å
324	T	98	Very high	97.3	Very high	6 Å²	6	33.7 Å²	33.7	4%	0.037	17%	0.17	C	C	.	.			trans	-150.3	139.5	177.2	-176.7	0	0	0	0	109.6	I267 Q269 H326 Q327 M341 C342	I267-T324 HydrophobicContact CG2-CG2 4.07Å; Q269-T324 PolarHBondContact NE2-O 3.49Å; Q269-T324 PolarHBondContact OE1-O 3.16Å; T324-H326 PolarHBondContact OG1-O 3.06Å; T324-Q327 PolarHBondContact OG1-NE2 3.22Å; T324-Q327 VanDerWaalsContact OG1-NE2 3.15Å; T324-M341 HydrophobicContact CG2-SD 4.46Å; T324-C342 WeakPolarHBondContact CA-O 3.49Å; T324-C342 WeakPolarHBondContact CB-O 3.4Å; T324-C342 PolarHBondContact OG1-O 2.71Å
325	F	97.2	Very high	97.4	Very high	26 Å²	26	31.5 Å²	31.5	11%	0.114	16%	0.161	C	C	.	.	S	Bend	trans	-99.8	-47.7	167.4	-76.6	-91.8	0	0	0	110	Y253 H255 S256 A349 I350	Y253-F325 HydrophobicContact CE1-CD1 4.36Å; Y253-F325 AromaticContact CE1-CE1 3.72Å; Y253-F325 HydrophobicContact CE1-CE1 3.72Å; Y253-F325 HydrophobicContact CE1-CZ 4.31Å; H255-F325 HydrophobicContact CB-CB 4.3Å; H255-F325 HydrophobicContact CB-CD1 3.74Å; H255-F325 HydrophobicContact CB-CG 4.39Å; H255-F325 WeakPolarHBondContact CB-O 3.29Å; H255-F325 AromaticContact CD2-CD1 3.81Å; H255-F325 PolarHBondContact CD2-O 3.39Å; H255-F325 VanDerWaalsContact CD2-O 3.32Å; H255-F325 AromaticContact CG-CD1 3.67Å; S256-F325 PolarHBondContact OG-O 3.05Å; F325-A349 HydrophobicContact CE2-CB 3.38Å; F325-A349 HydrophobicContact CZ-CB 3.7Å; F325-I350 HydrophobicContact CE1-CD1 4.35Å; F325-I350 HydrophobicContact CZ-CD1 4.1Å
326	H	98.6	Very high	97.6	Very high	17 Å²	17	31.7 Å²	31.7	8%	0.079	16%	0.162	C	C	.	.			trans	-119	131.1	-172.7	-53.3	105.5	0	0	0	113.5	H195 H255 T324 C342 E433 P435 H542	H195-H326 AromaticContact CE1-CD2 3.91Å; H195-H326 AromaticContact CE1-NE2 3.91Å; H255-H326 AromaticContact CD2-CD2 3.78Å; H255-H326 AromaticContact CD2-NE2 3.5Å; H255-H326 AromaticContact NE2-CD2 3.98Å; H255-H326 AromaticContact NE2-NE2 3.31Å; H255-H326 PolarHBondContact NE2-NE2 3.07Å; T324-H326 PolarHBondContact OG1-O 3.06Å; H326-C342 PolarHBondContact O-N 3.04Å; H326-E433 IonicContact CE1-OE2 2.74Å; H326-E433 IonicContact CG-OE2 2.76Å; H326-E433 IonicContact ND1-OE1 3.79Å; H326-E433 IonicContact ND1-OE2 2.66Å; H326-E433 PolarHBondContact ND1-OE2 2.8Å; H326-P435 VanDerWaalsContact CB-CD 3.44Å; H326-P435 HydrophobicContact CB-CG 3.59Å; H326-H542 AromaticContact CE1-CE1 3.93Å; H326-H542 AromaticContact NE2-CE1 3.22Å; H326-H542 PolarHBondContact NE2-CE1 3.13Å; H326-H542 AromaticContact NE2-NE2 3.54Å
327	Q	98.4	Very high	97.8	Very high	20 Å²	20	27.6 Å²	27.6	9%	0.093	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	143.3	163.5	-75.7	69.3	75.3	0	0	109.8	S256 F257 A258 I267 T324 M341	S256-Q327 PolarHBondContact O-OE1 3.2Å; S256-Q327 PolarHBondContact OG-N 3.18Å; S256-Q327 PolarHBondContact OG-OE1 3.34Å; F257-Q327 PolarHBondContact O-OE1 3.31Å; A258-Q327 HydrophobicContact CB-CB 4.34Å; A258-Q327 HydrophobicContact CB-CG 3.85Å; I267-Q327 HydrophobicContact CD1-CG 4.03Å; T324-Q327 PolarHBondContact OG1-NE2 3.22Å; T324-Q327 VanDerWaalsContact OG1-NE2 3.15Å; Q327-M341 HydrophobicContact CG-CB 4.12Å
328	I	98.8	Very high	97.8	Very high	13 Å²	13	27.6 Å²	27.6	7%	0.067	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-57.2	-179.5	-57.6	165.4	0	0	0	109.3	D340 P377 L421 P435 I437 Y447 F450	I328-D340 HydrophobicContact CB-CB 3.9Å; I328-D340 HydrophobicContact CD1-CB 4.3Å; I328-D340 PolarHBondContact N-O 2.94Å; I328-P377 HydrophobicContact CD1-CB 3.62Å; I328-L421 HydrophobicContact CD1-CD1 4.4Å; I328-P435 HydrophobicContact CB-CB 4.27Å; I328-P435 HydrophobicContact CG1-CB 3.64Å; I328-P435 HydrophobicContact CG1-CG 3.95Å; I328-P435 HydrophobicContact CG2-CB 4.35Å; I328-I437 HydrophobicContact CG2-CG2 4.14Å; I328-Y447 HydrophobicContact CG2-CE2 4.36Å; I328-Y447 WeakPolarHBondContact CG2-OH 3.48Å; I328-F450 HydrophobicContact CD1-CD2 4.26Å; I328-F450 HydrophobicContact CD1-CE2 3.93Å; I328-F450 HydrophobicContact CD1-CZ 4.27Å; I328-F450 HydrophobicContact CG2-CB 3.78Å; I328-F450 HydrophobicContact CG2-CD1 4.37Å; I328-F450 HydrophobicContact CG2-CD2 3.98Å; I328-F450 HydrophobicContact CG2-CG 3.81Å
329	N	98.8	Very high	97.9	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.016	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	162.4	176	-163.5	12.7	0	0	0	109.7	D340 I437 F442 T444 R445 Y447	N329-D340 PolarHBondContact N-O 2.95Å; N329-D340 WeakPolarHBondContact O-CB 3.35Å; N329-D340 PolarHBondContact O-N 3.37Å; N329-I437 HydrophobicContact CB-CD1 4.2Å; N329-F442 PolarHBondContact ND2-O 2.66Å; N329-T444 PolarHBondContact OD1-N 3.08Å; N329-T444 VanDerWaalsContact OD1-N 3.12Å; N329-R445 PolarHBondContact ND2-O 2.89Å; N329-R445 VanDerWaalsContact ND2-O 3.08Å; N329-Y447 HydrophobicContact CB-CD1 4.06Å; N329-Y447 HydrophobicContact CB-CE1 3.6Å; N329-Y447 WeakPolarHBondContact ND2-CD1 3.27Å
330	A	98.8	Very high	97.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	140.9	166.9	0	0	0	0	0	110.4	A258 M259 L337 M338 V339 T444	A258-A330 HydrophobicContact CB-CB 3.8Å; M259-A330 VanDerWaalsContact O-O 3.1Å; A330-L337 HydrophobicContact CB-CD1 4.48Å; A330-M338 CarbonylContact C-O 3.54Å; A330-M338 WeakPolarHBondContact CA-O 3.44Å; A330-M338 VanDerWaalsContact CB-O 3.3Å; A330-M338 WeakPolarHBondContact CB-O 3.39Å; A330-V339 HydrophobicContact CB-CG2 4.49Å; A330-T444 CarbonylContact O-C 3.46Å; A330-T444 WeakPolarHBondContact O-CA 3.41Å
331	F	98.7	Very high	97.9	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.026	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	157.1	-177.4	64.3	-89.8	0	0	0	111.8	E333 M338 T444 P446 Y447	F331-E333 HydrophobicContact CD2-CB 4.23Å; F331-E333 HydrophobicContact CE2-CB 4.12Å; F331-M338 HydrophobicContact CD1-CB 4.08Å; F331-M338 HydrophobicContact CD1-CG 4.47Å; F331-M338 HydrophobicContact CD2-CB 4.37Å; F331-M338 HydrophobicContact CD2-CG 3.94Å; F331-M338 HydrophobicContact CE1-CB 3.75Å; F331-M338 HydrophobicContact CE1-CG 4.03Å; F331-M338 HydrophobicContact CE2-CB 4.09Å; F331-M338 HydrophobicContact CE2-CG 3.45Å; F331-M338 VanDerWaalsContact CE2-CG 3.45Å; F331-M338 HydrophobicContact CG-CB 4.37Å; F331-M338 HydrophobicContact CG-CG 4.43Å; F331-M338 HydrophobicContact CZ-CB 3.77Å; F331-M338 HydrophobicContact CZ-CG 3.51Å; F331-M338 PolarHBondContact N-O 2.76Å; F331-M338 PolarHBondContact O-N 3.21Å; F331-T444 WeakPolarHBondContact CB-O 3.43Å; F331-P446 HydrophobicContact CD2-CB 3.99Å; F331-P446 HydrophobicContact CD2-CG 3.62Å; F331-P446 HydrophobicContact CE2-CB 3.9Å; F331-P446 HydrophobicContact CE2-CG 3.91Å; F331-P446 HydrophobicContact CG-CG 4.35Å; F331-P446 HydrophobicContact CZ-CB 4.44Å; F331-Y447 HydrophobicContact CD1-CD1 4.09Å; F331-Y447 HydrophobicContact CD1-CE1 4.25Å; F331-Y447 AromaticContact CE1-CD1 3.87Å; F331-Y447 HydrophobicContact CE1-CD1 3.87Å; F331-Y447 AromaticContact CE1-CE1 3.88Å; F331-Y447 HydrophobicContact CE1-CE1 3.88Å
332	E	98.2	Very high	97.9	Very high	49 Å²	49	18.6 Å²	18.6	23%	0.229	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.5	-179.6	-63.5	165.4	-114.9	0	0	110.2	S260 N262 Y263 F336 L337 L384	S260-E332 PolarHBondContact OG-OE1 3.06Å; N262-E332 WeakPolarHBondContact CA-OE1 3.45Å; N262-E332 WeakPolarHBondContact CB-OE1 3.49Å; N262-E332 PolarHBondContact N-OE1 3.3Å; N262-E332 VanDerWaalsContact ND2-CD 3.34Å; N262-E332 PolarHBondContact ND2-OE1 2.86Å; N262-E332 PolarHBondContact ND2-OE2 3.4Å; Y263-E332 HydrophobicContact CD2-CG 4.2Å; Y263-E332 WeakPolarHBondContact CE2-OE2 3.31Å; E332-F336 CarbonylContact C-O 3.54Å; E332-F336 WeakPolarHBondContact CA-O 3.27Å; E332-L337 HydrophobicContact CG-CD1 4.01Å; E332-L384 HydrophobicContact CG-CD1 4.23Å
333	E	96.2	Very high	98	Very high	67 Å²	67	18.5 Å²	18.5	31%	0.313	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	132.3	176.4	-169.7	177.8	-114.3	0	0	110.8	F331 G335 F336 M338 R399	F331-E333 HydrophobicContact CD2-CB 4.23Å; F331-E333 HydrophobicContact CE2-CB 4.12Å; E333-G335 PolarHBondContact O-N 3.1Å; E333-G335 VanDerWaalsContact O-N 3.14Å; E333-F336 PolarHBondContact N-O 3.28Å; E333-F336 PolarHBondContact O-N 2.97Å; E333-M338 HydrophobicContact CB-CE 3.88Å; E333-R399 IonicContact OE2-CZ 3.69Å; E333-R399 VanDerWaalsContact OE2-CZ 3.25Å; E333-R399 IonicContact OE2-NH1 3.57Å; E333-R399 PolarHBondContact OE2-NH1 2.94Å; E333-R399 IonicContact OE2-NH2 3.68Å; E333-R399 PolarHBondContact OE2-NH2 2.97Å
334	D	94.5	Very high	98	Very high	124 Å²	124	18.6 Å²	18.6	66%	0.663	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	35.3	177	-52.2	-45.6	0	0	0	115	F336 R399	D334-F336 WeakPolarHBondContact O-CD2 3.45Å; D334-F336 WeakPolarHBondContact O-CE2 3.14Å; D334-R399 IonicContact OD2-CZ 3.31Å; D334-R399 IonicContact OD2-NH1 2.8Å; D334-R399 PolarHBondContact OD2-NH1 3.33Å; D334-R399 IonicContact OD2-NH2 2.67Å
335	G	95.6	Very high	97.9	Very high	34 Å²	34	22.8 Å²	22.8	35%	0.351	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	13	-179.2	0	0	0	0	0	114.9	E333 L384	E333-G335 PolarHBondContact O-N 3.1Å; E333-G335 VanDerWaalsContact O-N 3.14Å; G335-L384 WeakPolarHBondContact O-CB 3.38Å; G335-L384 PolarHBondContact O-N 2.84Å
336	F	97.8	Very high	97.7	Very high	15 Å²	15	21.7 Å²	21.7	7%	0.066	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	149.7	173.9	-60.5	-91.2	0	0	0	110.6	E332 E333 D334 M338 V381 L382 P383 L396 T398 R399	E332-F336 CarbonylContact C-O 3.54Å; E332-F336 WeakPolarHBondContact CA-O 3.27Å; E333-F336 PolarHBondContact N-O 3.28Å; E333-F336 PolarHBondContact O-N 2.97Å; D334-F336 WeakPolarHBondContact O-CD2 3.45Å; D334-F336 WeakPolarHBondContact O-CE2 3.14Å; F336-M338 HydrophobicContact CB-CE 3.53Å; F336-M338 HydrophobicContact CB-SD 3.96Å; F336-M338 HydrophobicContact CG-CE 4.47Å; F336-V381 HydrophobicContact CB-CG1 3.94Å; F336-V381 HydrophobicContact CD1-CG1 3.62Å; F336-V381 HydrophobicContact CE1-CG1 4.4Å; F336-V381 HydrophobicContact CG-CG1 3.92Å; F336-L382 CarbonylContact C-O 3.58Å; F336-L382 WeakPolarHBondContact CA-O 3.22Å; F336-P383 HydrophobicContact CD1-CB 3.92Å; F336-P383 HydrophobicContact CE1-CB 3.81Å; F336-L396 WeakPolarHBondContact CE1-O 3.38Å; F336-T398 WeakPolarHBondContact CZ-OG1 3.5Å; F336-R399 HydrophobicContact CD2-CG 4.13Å; F336-R399 HydrophobicContact CE2-CG 4.1Å
337	L	98.5	Very high	97.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.7	169.3	173.9	60.5	0	0	0	109	S260 Y263 V265 L304 A330 E332 V339 L382 L384	S260-L337 WeakPolarHBondContact OG-CD1 3.3Å; Y263-L337 HydrophobicContact CG-CD2 4.45Å; V265-L337 HydrophobicContact CG2-CD2 3.5Å; V265-L337 VanDerWaalsContact CG2-CD2 3.5Å; V265-L337 HydrophobicContact CG2-CG 4.45Å; L304-L337 HydrophobicContact CD2-CD2 3.9Å; L304-L337 HydrophobicContact CG-CD2 4.07Å; A330-L337 HydrophobicContact CB-CD1 4.48Å; E332-L337 HydrophobicContact CG-CD1 4.01Å; L337-V339 HydrophobicContact CG-CG2 4.08Å; L337-L382 HydrophobicContact CB-CB 4.32Å; L337-L382 PolarHBondContact N-O 3Å; L337-L382 PolarHBondContact O-N 2.95Å; L337-L384 HydrophobicContact CB-CD2 3.85Å; L337-L384 HydrophobicContact CB-CG 4.22Å; L337-L384 HydrophobicContact CD2-CD2 4.46Å
338	M	98.5	Very high	96.9	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.5	175.9	-42.5	-43.1	170.2	0	0	108.4	A330 F331 E333 F336 F380 V381	A330-M338 CarbonylContact C-O 3.54Å; A330-M338 WeakPolarHBondContact CA-O 3.44Å; A330-M338 VanDerWaalsContact CB-O 3.3Å; A330-M338 WeakPolarHBondContact CB-O 3.39Å; F331-M338 HydrophobicContact CD1-CB 4.08Å; F331-M338 HydrophobicContact CD1-CG 4.47Å; F331-M338 HydrophobicContact CD2-CB 4.37Å; F331-M338 HydrophobicContact CD2-CG 3.94Å; F331-M338 HydrophobicContact CE1-CB 3.75Å; F331-M338 HydrophobicContact CE1-CG 4.03Å; F331-M338 HydrophobicContact CE2-CB 4.09Å; F331-M338 HydrophobicContact CE2-CG 3.45Å; F331-M338 VanDerWaalsContact CE2-CG 3.45Å; F331-M338 HydrophobicContact CG-CB 4.37Å; F331-M338 HydrophobicContact CG-CG 4.43Å; F331-M338 HydrophobicContact CZ-CB 3.77Å; F331-M338 HydrophobicContact CZ-CG 3.51Å; F331-M338 PolarHBondContact N-O 2.76Å; F331-M338 PolarHBondContact O-N 3.21Å; E333-M338 HydrophobicContact CB-CE 3.88Å; F336-M338 HydrophobicContact CB-CE 3.53Å; F336-M338 HydrophobicContact CB-SD 3.96Å; F336-M338 HydrophobicContact CG-CE 4.47Å; M338-F380 WeakPolarHBondContact CA-O 3.21Å; M338-V381 HydrophobicContact SD-CB 4.24Å; M338-V381 HydrophobicContact SD-CG1 3.8Å; M338-V381 HydrophobicContact SD-CG2 3.97Å
339	V	98.8	Very high	96.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	110.3	178.1	-171.6	0	0	0	0	108.7	A258 V265 A330 L337 M341 R379 F380 L382	A258-V339 HydrophobicContact CB-CG1 3.77Å; V265-V339 HydrophobicContact CG2-CG2 4.21Å; A330-V339 HydrophobicContact CB-CG2 4.49Å; L337-V339 HydrophobicContact CG-CG2 4.08Å; V339-M341 HydrophobicContact CB-CE 4.21Å; V339-M341 HydrophobicContact CG1-CE 3.52Å; V339-R379 WeakPolarHBondContact O-CA 3.35Å; V339-F380 HydrophobicContact CB-CB 4.45Å; V339-F380 PolarHBondContact N-O 2.88Å; V339-F380 PolarHBondContact O-N 2.91Å; V339-L382 HydrophobicContact CG2-CD1 3.89Å; V339-L382 HydrophobicContact CG2-CG 4.34Å
340	D	98.9	Very high	95.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.3	-179.3	-61.7	-15.6	0	0	0	109.8	I328 N329 R378 R379 L421 Y447	I328-D340 HydrophobicContact CB-CB 3.9Å; I328-D340 HydrophobicContact CD1-CB 4.3Å; I328-D340 PolarHBondContact N-O 2.94Å; N329-D340 PolarHBondContact N-O 2.95Å; N329-D340 WeakPolarHBondContact O-CB 3.35Å; N329-D340 PolarHBondContact O-N 3.37Å; D340-R378 WeakPolarHBondContact CA-O 3.4Å; D340-R379 WeakPolarHBondContact OD1-CB 3.03Å; D340-R379 WeakPolarHBondContact OD1-CD 3.25Å; D340-R379 WeakPolarHBondContact OD1-CG 3.25Å; D340-R379 IonicContact OD1-CZ 3.59Å; D340-R379 IonicContact OD1-NE 3.99Å; D340-R379 PolarHBondContact OD1-NE 3.08Å; D340-R379 IonicContact OD1-NH2 3.92Å; D340-R379 IonicContact OD2-CZ 3.53Å; D340-R379 IonicContact OD2-NE 3.05Å; D340-R379 PolarHBondContact OD2-NE 2.81Å; D340-R379 IonicContact OD2-NH2 3.99Å; D340-R379 PolarHBondContact OD2-NH2 2.84Å; D340-L421 HydrophobicContact CB-CD1 3.83Å; D340-Y447 WeakPolarHBondContact OD2-CE1 3.49Å; D340-Y447 VanDerWaalsContact OD2-CZ 3.29Å; D340-Y447 PolarHBondContact OD2-OH 2.75Å
341	M	98.6	Very high	95.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	153.3	-173.1	52.4	175.6	105.9	0	0	112.1	F302 I322 T324 Q327 V339 C343 P377 R378 F380	F302-M341 HydrophobicContact CD1-CE 4.32Å; F302-M341 HydrophobicContact CE1-CE 3.37Å; F302-M341 HydrophobicContact CE1-SD 4.28Å; F302-M341 HydrophobicContact CZ-CE 3.7Å; I322-M341 HydrophobicContact CD1-SD 4.4Å; T324-M341 HydrophobicContact CG2-SD 4.46Å; Q327-M341 HydrophobicContact CG-CB 4.12Å; V339-M341 HydrophobicContact CB-CE 4.21Å; V339-M341 HydrophobicContact CG1-CE 3.52Å; M341-C343 WeakPolarHBondContact CG-SG 3.35Å; M341-P377 WeakPolarHBondContact O-CA 3.4Å; M341-R378 PolarHBondContact N-O 3.21Å; M341-R378 PolarHBondContact O-N 2.76Å; M341-F380 HydrophobicContact CE-CD2 3.33Å; M341-F380 HydrophobicContact CE-CE2 3.65Å; M341-F380 HydrophobicContact CE-CG 4.28Å; M341-F380 HydrophobicContact CG-CD2 4.46Å; M341-F380 HydrophobicContact CG-CE2 4.37Å; M341-F380 HydrophobicContact SD-CD2 4.14Å; M341-F380 HydrophobicContact SD-CE2 3.88Å
342	C	98.6	Very high	95.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	114.8	169.1	-65.8	0	0	0	0	108.4	T324 H326 T375 E433	T324-C342 WeakPolarHBondContact CA-O 3.49Å; T324-C342 WeakPolarHBondContact CB-O 3.4Å; T324-C342 PolarHBondContact OG1-O 2.71Å; H326-C342 PolarHBondContact O-N 3.04Å; C342-T375 VanDerWaalsContact C-CG2 3.44Å; C342-T375 HydrophobicContact CB-CG2 3.54Å; C342-E433 HydrophobicContact CB-CG 4.44Å
343	C	98.5	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.6	-174.8	-66.6	0	0	0	0	112.9	S323 M341 T375 F376 R378	S323-C343 WeakPolarHBondContact O-CA 3.48Å; M341-C343 WeakPolarHBondContact CG-SG 3.35Å; C343-T375 CarbonylContact O-C 3.52Å; C343-T375 VanDerWaalsContact O-CA 3.31Å; C343-T375 WeakPolarHBondContact O-CA 3.3Å; C343-F376 PolarHBondContact N-O 2.66Å; C343-F376 PolarHBondContact O-N 2.74Å; C343-R378 HydrophobicContact CB-CB 4.45Å; C343-R378 VanDerWaalsContact CB-CD 3.46Å; C343-R378 HydrophobicContact CB-CG 4.11Å
344	S	97.3	Very high	95.1	Very high	8 Å²	8	25.5 Å²	25.5	6%	0.056	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.5	166.2	177.2	0	0	0	0	110.2	I322 S323 G346 D373	I322-S344 CarbonylContact C-O 3.54Å; I322-S344 VanDerWaalsContact CA-O 3.31Å; I322-S344 WeakPolarHBondContact CA-O 3.12Å; S323-S344 PolarHBondContact N-O 3.09Å; S323-S344 PolarHBondContact O-N 2.76Å; S344-G346 PolarHBondContact OG-N 2.93Å; S344-G346 VanDerWaalsContact OG-N 3.15Å; S344-D373 VanDerWaalsContact OG-CB 3.28Å; S344-D373 WeakPolarHBondContact OG-CB 3.5Å
345	D	95.8	Very high	95.2	Very high	94 Å²	94	19.9 Å²	19.9	50%	0.503	12%	0.119	S	C	.	.	S	Bend	trans	-80.3	-8.4	172.3	-62.7	-46.1	0	0	0	112.2	R378	D345-R378 VanDerWaalsContact CG-NH2 3.25Å; D345-R378 IonicContact OD1-CZ 3.64Å; D345-R378 IonicContact OD1-NH1 3.08Å; D345-R378 PolarHBondContact OD1-NH1 3.29Å; D345-R378 IonicContact OD1-NH2 2.81Å; D345-R378 PolarHBondContact OD1-NH2 2.8Å; D345-R378 VanDerWaalsContact OD1-NH2 3.13Å; D345-R378 IonicContact OD2-CZ 3.32Å; D345-R378 IonicContact OD2-NH1 3.12Å; D345-R378 IonicContact OD2-NH2 3.24Å; D345-R378 PolarHBondContact OD2-NH2 2.92Å
346	G	93.8	Very high	95.2	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.021	13%	0.132	C	C	.	.			trans	-102.9	-173.3	172	0	0	0	0	0	113.2	S323 S344 D373	S323-G346 VanDerWaalsContact CB-O 3.23Å; S323-G346 WeakPolarHBondContact CB-O 3.31Å; S323-G346 PolarHBondContact OG-O 3.45Å; S344-G346 PolarHBondContact OG-N 2.93Å; S344-G346 VanDerWaalsContact OG-N 3.15Å; G346-D373 WeakPolarHBondContact CA-OD2 3.45Å
347	G	90.8	Very high	95.2	Very high	7 Å²	7	25 Å²	25	7%	0.072	13%	0.134	C	C	.	.			trans	-150.7	23.7	179.2	0	0	0	0	0	114.3	A349	G347-A349 VanDerWaalsContact C-N 3.35Å
348	Q	89.3	Confident	95.1	Very high	72 Å²	72	25 Å²	25	34%	0.336	13%	0.134	S	C	.	.			trans	-90	2.7	-173.4	-51.9	84.6	-21.5	0	0	112.6	I350 S351 N352 D373	Q348-I350 VanDerWaalsContact C-N 3.27Å; Q348-I350 PolarHBondContact O-N 3.13Å; Q348-S351 PolarHBondContact O-N 3.02Å; Q348-S351 PolarHBondContact O-OG 3.32Å; Q348-N352 PolarHBondContact O-N 2.92Å; Q348-N352 PolarHBondContact O-ND2 3.35Å; Q348-N352 PolarHBondContact O-OD1 3.26Å; Q348-D373 VanDerWaalsContact CD-OD2 3.24Å; Q348-D373 PolarHBondContact NE2-OD2 2.93Å; Q348-D373 PolarHBondContact OE1-OD2 3.41Å
349	A	86.4	Confident	95	Very high	18 Å²	18	29.2 Å²	29.2	15%	0.149	15%	0.15	C	C	.	.	H	α-helix	trans	-49.6	-47.1	-177.9	0	0	0	0	0	112.3	F325 G347 S351 N352 Y353	F325-A349 HydrophobicContact CE2-CB 3.38Å; F325-A349 HydrophobicContact CZ-CB 3.7Å; G347-A349 VanDerWaalsContact C-N 3.35Å; A349-S351 VanDerWaalsContact C-N 3.28Å; A349-S351 PolarHBondContact O-N 3.21Å; A349-N352 PolarHBondContact O-N 3.48Å; A349-Y353 HydrophobicContact CB-CD2 4.46Å; A349-Y353 HydrophobicContact CB-CE2 4.4Å; A349-Y353 WeakPolarHBondContact O-CD2 3.49Å; A349-Y353 PolarHBondContact O-N 3Å; A349-Y353 VanDerWaalsContact O-N 3.14Å
350	I	88.9	Confident	94.9	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.062	16%	0.164	C	C	.	.	H	α-helix	trans	-57.9	-35.9	177.9	-60.5	-54.3	0	0	0	113	H74 F76 F118 N289 I292 F325 Q348	H74-I350 PolarHBondContact CD2-O 3.49Å; H74-I350 PolarHBondContact NE2-O 2.89Å; F76-I350 HydrophobicContact CE2-CD1 4.03Å; F118-I350 HydrophobicContact CE1-CD1 4.35Å; F118-I350 HydrophobicContact CE1-CG2 3.84Å; F118-I350 HydrophobicContact CZ-CD1 3.95Å; F118-I350 HydrophobicContact CZ-CG2 3.63Å; N289-I350 HydrophobicContact CB-CG2 4.13Å; I292-I350 HydrophobicContact CG2-CG1 4.41Å; F325-I350 HydrophobicContact CE1-CD1 4.35Å; F325-I350 HydrophobicContact CZ-CD1 4.1Å; Q348-I350 VanDerWaalsContact C-N 3.27Å; Q348-I350 PolarHBondContact O-N 3.13Å
351	S	91	Very high	94.8	Very high	60 Å²	60	35.9 Å²	35.9	42%	0.42	19%	0.188	S	C	.	.	H	α-helix	trans	-82.3	-27.4	175.7	45.6	0	0	0	0	113	Q348 A349 L354 N357	Q348-S351 PolarHBondContact O-N 3.02Å; Q348-S351 PolarHBondContact O-OG 3.32Å; A349-S351 VanDerWaalsContact C-N 3.28Å; A349-S351 PolarHBondContact O-N 3.21Å; S351-L354 WeakPolarHBondContact O-CD1 3.29Å; S351-L354 WeakPolarHBondContact O-CG 3.31Å; S351-N357 PolarHBondContact O-ND2 3.05Å
352	N	92.9	Very high	94.8	Very high	20 Å²	20	37.8 Å²	37.8	11%	0.107	21%	0.208	C	C	.	.	H	α-helix	trans	-74.5	-31.7	-175.4	-66.8	-11.3	0	0	0	111.6	Q348 A349 L354 N357 N372 M458	Q348-N352 PolarHBondContact O-N 2.92Å; Q348-N352 PolarHBondContact O-ND2 3.35Å; Q348-N352 PolarHBondContact O-OD1 3.26Å; A349-N352 PolarHBondContact O-N 3.48Å; N352-L354 VanDerWaalsContact C-N 3.28Å; N352-L354 PolarHBondContact O-N 3.06Å; N352-N357 VanDerWaalsContact O-CB 3.3Å; N352-N357 WeakPolarHBondContact O-CB 3.16Å; N352-N372 PolarHBondContact ND2-OD1 3.32Å; N352-M458 HydrophobicContact CB-CE 4.17Å
353	Y	94.9	Very high	94.7	Very high	32 Å²	32	46 Å²	46	13%	0.125	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	22.3	-180	-69.5	-69.6	0	0	0	115.2	W75 A349 L358 M458	W75-Y353 WeakPolarHBondContact CB-O 3.48Å; W75-Y353 HydrophobicContact CD2-CD1 4.49Å; W75-Y353 AromaticContact CE3-CD1 3.38Å; W75-Y353 HydrophobicContact CE3-CD1 3.38Å; W75-Y353 AromaticContact CE3-CE1 3.89Å; W75-Y353 HydrophobicContact CE3-CE1 3.89Å; W75-Y353 HydrophobicContact CE3-CG 4.02Å; W75-Y353 AromaticContact CZ3-CD1 3.7Å; W75-Y353 HydrophobicContact CZ3-CD1 3.7Å; W75-Y353 AromaticContact CZ3-CE1 3.69Å; W75-Y353 HydrophobicContact CZ3-CE1 3.69Å; W75-Y353 PolarHBondContact N-O 2.95Å; A349-Y353 HydrophobicContact CB-CD2 4.46Å; A349-Y353 HydrophobicContact CB-CE2 4.4Å; A349-Y353 WeakPolarHBondContact O-CD2 3.49Å; A349-Y353 PolarHBondContact O-N 3Å; A349-Y353 VanDerWaalsContact O-N 3.14Å; Y353-L358 HydrophobicContact CD1-CD1 4.15Å; Y353-L358 HydrophobicContact CD1-CD2 3.79Å; Y353-L358 HydrophobicContact CD1-CG 4.44Å; Y353-L358 HydrophobicContact CE1-CD2 4.18Å; Y353-M458 WeakPolarHBondContact CE1-O 3.41Å; Y353-M458 PolarHBondContact OH-O 3.49Å
354	L	96.8	Very high	94.7	Very high	36 Å²	36	48 Å²	48	19%	0.188	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-63.5	137.8	163.3	-67.6	169.2	0	0	0	110	N73 H74 S351 N352 Q356 N357 L358	N73-L354 CarbonylContact O-C 3.56Å; N73-L354 WeakPolarHBondContact O-CA 3.13Å; H74-L354 HydrophobicContact CB-CD2 4.47Å; S351-L354 WeakPolarHBondContact O-CD1 3.29Å; S351-L354 WeakPolarHBondContact O-CG 3.31Å; N352-L354 VanDerWaalsContact C-N 3.28Å; N352-L354 PolarHBondContact O-N 3.06Å; L354-Q356 HydrophobicContact CB-CG 4.05Å; L354-Q356 PolarHBondContact O-N 3.45Å; L354-N357 HydrophobicContact CB-CB 4.47Å; L354-N357 WeakPolarHBondContact O-CA 3.26Å; L354-N357 VanDerWaalsContact O-CB 3.31Å; L354-N357 WeakPolarHBondContact O-CB 3.37Å; L354-N357 PolarHBondContact O-N 3.29Å; L354-L358 PolarHBondContact O-N 2.77Å; L354-L358 VanDerWaalsContact O-N 3.11Å
355	I	97.1	Very high	94.7	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-58.1	-37.9	-177.5	-75.3	166.6	0	0	0	111.4	I31 F65 Y72 N73 H74 N357 L358 R359	I31-I355 HydrophobicContact CG2-CG1 4.27Å; F65-I355 HydrophobicContact CD1-CD1 3.68Å; F65-I355 HydrophobicContact CD1-CG1 4.5Å; F65-I355 HydrophobicContact CE1-CD1 4.3Å; Y72-I355 WeakPolarHBondContact O-CD1 3.44Å; N73-I355 PolarHBondContact O-N 3.5Å; H74-I355 WeakPolarHBondContact O-CD1 3.36Å; I355-N357 PolarHBondContact O-N 2.85Å; I355-L358 PolarHBondContact O-N 3.3Å; I355-R359 HydrophobicContact CG2-CG 4.17Å; I355-R359 WeakPolarHBondContact O-CB 3.31Å; I355-R359 WeakPolarHBondContact O-CG 3.47Å; I355-R359 PolarHBondContact O-N 3.27Å
356	Q	96.4	Very high	94.7	Very high	134 Å²	134	44 Å²	44	63%	0.626	24%	0.24	S	C	*	.	H	α-helix	trans	-59.5	-32.2	175.4	68.6	-177.8	2.5	0	0	113.1	L354	L354-Q356 HydrophobicContact CB-CG 4.05Å; L354-Q356 PolarHBondContact O-N 3.45Å
357	N	97	Very high	94.9	Very high	22 Å²	22	50.1 Å²	50.1	12%	0.118	27%	0.269	C	S	.	.	H	α-helix	trans	-76.8	-44.6	177.9	-75.3	-16.5	0	0	0	110.3	S351 N352 L354 I355 R359 K360 L368	S351-N357 PolarHBondContact O-ND2 3.05Å; N352-N357 VanDerWaalsContact O-CB 3.3Å; N352-N357 WeakPolarHBondContact O-CB 3.16Å; L354-N357 HydrophobicContact CB-CB 4.47Å; L354-N357 WeakPolarHBondContact O-CA 3.26Å; L354-N357 VanDerWaalsContact O-CB 3.31Å; L354-N357 WeakPolarHBondContact O-CB 3.37Å; L354-N357 PolarHBondContact O-N 3.29Å; I355-N357 PolarHBondContact O-N 2.85Å; N357-R359 PolarHBondContact O-N 3.01Å; N357-K360 WeakPolarHBondContact O-CB 3.37Å; N357-K360 WeakPolarHBondContact O-CG 3.26Å; N357-K360 PolarHBondContact O-N 3.23Å; N357-K360 VanDerWaalsContact O-N 3.14Å; N357-L368 HydrophobicContact CB-CD1 4.48Å; N357-L368 HydrophobicContact CB-CD2 3.7Å; N357-L368 WeakPolarHBondContact O-CD2 3.5Å
358	L	96.7	Very high	95.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-22.8	178	-59.5	177.8	0	0	0	113.4	I27 I31 W75 Y353 L354 I355 M458	I27-L358 WeakPolarHBondContact CG1-O 3.5Å; I31-L358 HydrophobicContact CD1-CD1 4.36Å; I31-L358 HydrophobicContact CG1-CB 4.16Å; I31-L358 HydrophobicContact CG1-CD1 4.42Å; I31-L358 HydrophobicContact CG2-CD1 4.44Å; W75-L358 HydrophobicContact CB-CD1 3.72Å; W75-L358 HydrophobicContact CD2-CD1 4.02Å; W75-L358 HydrophobicContact CE3-CD1 4.24Å; W75-L358 HydrophobicContact CG-CD1 3.82Å; Y353-L358 HydrophobicContact CD1-CD1 4.15Å; Y353-L358 HydrophobicContact CD1-CD2 3.79Å; Y353-L358 HydrophobicContact CD1-CG 4.44Å; Y353-L358 HydrophobicContact CE1-CD2 4.18Å; L354-L358 PolarHBondContact O-N 2.77Å; L354-L358 VanDerWaalsContact O-N 3.11Å; I355-L358 PolarHBondContact O-N 3.3Å; L358-M458 HydrophobicContact CD2-CB 3.88Å; L358-M458 HydrophobicContact CD2-CE 4.4Å; L358-M458 HydrophobicContact CD2-CG 4.5Å
359	R	96.4	Very high	95.4	Very high	91 Å²	91	47.4 Å²	47.4	34%	0.343	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	5.7	175.8	-67.1	-178	176.2	171.2	0.4	114	A28 I31 I355 N357	A28-R359 HydrophobicContact CB-CB 3.98Å; A28-R359 HydrophobicContact CB-CG 3.91Å; I31-R359 PolarHBondContact O-NE 2.85Å; I31-R359 PolarHBondContact O-NH2 2.84Å; I355-R359 HydrophobicContact CG2-CG 4.17Å; I355-R359 WeakPolarHBondContact O-CB 3.31Å; I355-R359 WeakPolarHBondContact O-CG 3.47Å; I355-R359 PolarHBondContact O-N 3.27Å; N357-R359 PolarHBondContact O-N 3.01Å
360	K	97.4	Very high	95.8	Very high	67 Å²	67	49.3 Å²	49.3	29%	0.291	26%	0.262	S	S	.	.			trans	-64.5	158.3	171.8	-71.7	-175.4	178.6	-176.2	0	111	N357 A364 L365 L368	N357-K360 WeakPolarHBondContact O-CB 3.37Å; N357-K360 WeakPolarHBondContact O-CG 3.26Å; N357-K360 PolarHBondContact O-N 3.23Å; N357-K360 VanDerWaalsContact O-N 3.14Å; K360-A364 HydrophobicContact CD-CB 4.14Å; K360-A364 WeakPolarHBondContact CD-O 3.22Å; K360-L365 HydrophobicContact CB-CB 4.11Å; K360-L368 HydrophobicContact CD-CB 4.37Å; K360-L368 HydrophobicContact CD-CD2 4.2Å
361	S	97	Very high	96	Very high	73 Å²	73	53.6 Å²	53.6	51%	0.51	29%	0.289	S	S	.	.			trans	-146.4	165.2	176.1	59.3	0	0	0	0	110.9
362	G	96.9	Very high	96	Very high	39 Å²	39	52 Å²	52	40%	0.402	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	-145.7	-179.2	0	0	0	0	0	112.6	A364 L365 D366	G362-A364 PolarHBondContact O-N 3.12Å; G362-A364 VanDerWaalsContact O-N 3.13Å; G362-L365 WeakPolarHBondContact O-CB 3.4Å; G362-L365 PolarHBondContact O-N 3.13Å; G362-D366 PolarHBondContact O-N 2.98Å
363	E	97.4	Very high	96	Very high	173 Å²	173	53.9 Å²	53.9	81%	0.808	29%	0.285	S	S	*	.	H	α-helix	trans	-56.2	-33.4	-176.1	-63.8	179.7	174.8	0	0	113.4	L365 D366 E367	E363-L365 VanDerWaalsContact C-N 3.31Å; E363-L365 PolarHBondContact O-N 3.21Å; E363-D366 PolarHBondContact O-N 3Å; E363-E367 WeakPolarHBondContact O-CB 3.49Å; E363-E367 PolarHBondContact O-N 3.14Å
364	A	97.5	Very high	96	Very high	41 Å²	41	53.7 Å²	53.7	34%	0.339	29%	0.285	S	S	.	.	H	α-helix	trans	-68.5	-29.6	179.6	0	0	0	0	0	113.1	K360 G362 L368	K360-A364 HydrophobicContact CD-CB 4.14Å; K360-A364 WeakPolarHBondContact CD-O 3.22Å; G362-A364 PolarHBondContact O-N 3.12Å; G362-A364 VanDerWaalsContact O-N 3.13Å; A364-L368 WeakPolarHBondContact O-CB 3.47Å; A364-L368 PolarHBondContact O-N 3.42Å
365	L	97.4	Very high	96	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-75.7	-43.8	173.1	175.1	60.2	0	0	0	110.5	L24 E25 K360 G362 E363 E367 L368 Y369 M458	L24-L365 HydrophobicContact CB-CD2 3.72Å; L24-L365 HydrophobicContact CB-CG 4Å; L24-L365 HydrophobicContact CD1-CG 4.19Å; E25-L365 WeakPolarHBondContact O-CD2 3.25Å; K360-L365 HydrophobicContact CB-CB 4.11Å; G362-L365 WeakPolarHBondContact O-CB 3.4Å; G362-L365 PolarHBondContact O-N 3.13Å; E363-L365 VanDerWaalsContact C-N 3.31Å; E363-L365 PolarHBondContact O-N 3.21Å; L365-E367 VanDerWaalsContact C-N 3.34Å; L365-E367 PolarHBondContact O-N 3.42Å; L365-L368 PolarHBondContact O-N 2.89Å; L365-Y369 PolarHBondContact O-N 2.73Å; L365-M458 HydrophobicContact CD1-CG 4.09Å
366	D	97.1	Very high	96.1	Very high	18 Å²	18	54 Å²	54	10%	0.096	29%	0.287	C	S	.	.	H	α-helix	trans	-58.8	-45.9	176.2	-65.1	-21.5	0	0	0	110.9	T22 G23 L24 G362 E363 Y369 N370	T22-D366 WeakPolarHBondContact CA-OD2 3.22Å; G23-D366 VanDerWaalsContact N-CG 3.34Å; G23-D366 PolarHBondContact N-OD1 3.43Å; G23-D366 PolarHBondContact N-OD2 2.91Å; L24-D366 WeakPolarHBondContact CB-OD1 3.44Å; L24-D366 WeakPolarHBondContact CG-OD1 3.41Å; L24-D366 PolarHBondContact N-OD1 3.3Å; G362-D366 PolarHBondContact O-N 2.98Å; E363-D366 PolarHBondContact O-N 3Å; D366-Y369 PolarHBondContact O-N 3.14Å; D366-N370 WeakPolarHBondContact O-CB 3.34Å; D366-N370 VanDerWaalsContact O-CG 3.31Å; D366-N370 PolarHBondContact O-N 3.36Å; D366-N370 PolarHBondContact O-ND2 3.04Å
367	E	96.5	Very high	96.2	Very high	132 Å²	132	47.6 Å²	47.6	62%	0.617	26%	0.257	S	S	*	.	H	α-helix	trans	-61	-45.8	176.6	-173.7	-174.3	-176.7	0	0	111.8	E363 L365 Y369 N370 T371	E363-E367 WeakPolarHBondContact O-CB 3.49Å; E363-E367 PolarHBondContact O-N 3.14Å; L365-E367 VanDerWaalsContact C-N 3.34Å; L365-E367 PolarHBondContact O-N 3.42Å; E367-Y369 VanDerWaalsContact C-N 3.34Å; E367-Y369 PolarHBondContact O-N 2.91Å; E367-N370 PolarHBondContact O-N 2.67Å; E367-T371 WeakPolarHBondContact O-CB 3.45Å; E367-T371 WeakPolarHBondContact O-CG2 3.46Å; E367-T371 PolarHBondContact O-N 2.81Å; E367-T371 VanDerWaalsContact O-N 3.07Å; E367-T371 PolarHBondContact O-OG1 2.79Å
368	L	95.6	Very high	96.2	Very high	14 Å²	14	47 Å²	47	7%	0.073	25%	0.254	C	S	.	.	H	α-helix	trans	-58.6	-46.8	176.5	174.3	68.2	0	0	0	111.2	N357 K360 A364 L365 T371 N372 M458	N357-L368 HydrophobicContact CB-CD1 4.48Å; N357-L368 HydrophobicContact CB-CD2 3.7Å; N357-L368 WeakPolarHBondContact O-CD2 3.5Å; K360-L368 HydrophobicContact CD-CB 4.37Å; K360-L368 HydrophobicContact CD-CD2 4.2Å; A364-L368 WeakPolarHBondContact O-CB 3.47Å; A364-L368 PolarHBondContact O-N 3.42Å; L365-L368 PolarHBondContact O-N 2.89Å; L368-T371 PolarHBondContact O-OG1 3.32Å; L368-T371 VanDerWaalsContact O-OG1 3.13Å; L368-N372 PolarHBondContact O-N 3.04Å; L368-M458 HydrophobicContact CD2-CE 4.04Å; L368-M458 HydrophobicContact CD2-CG 4.41Å; L368-M458 HydrophobicContact CD2-SD 4.13Å; L368-M458 HydrophobicContact CG-CE 4.2Å; L368-M458 HydrophobicContact CG-SD 4.08Å
369	Y	96	Very high	96.3	Very high	7 Å²	7	48.9 Å²	48.9	3%	0.027	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-45.8	-179.3	177.3	-96	0	0	0	111.9	V21 L24 L365 D366 E367 T371 N372 K374 G430 F455 G456 H457 M458	V21-Y369 HydrophobicContact CB-CD1 3.94Å; V21-Y369 HydrophobicContact CB-CE1 3.95Å; V21-Y369 HydrophobicContact CG2-CD1 4.11Å; V21-Y369 HydrophobicContact CG2-CE1 3.59Å; L24-Y369 HydrophobicContact CD1-CD1 4.1Å; L24-Y369 HydrophobicContact CD1-CD2 4.3Å; L24-Y369 HydrophobicContact CD1-CG 3.7Å; L365-Y369 PolarHBondContact O-N 2.73Å; D366-Y369 PolarHBondContact O-N 3.14Å; E367-Y369 VanDerWaalsContact C-N 3.34Å; E367-Y369 PolarHBondContact O-N 2.91Å; Y369-T371 VanDerWaalsContact C-N 3.27Å; Y369-T371 PolarHBondContact O-N 2.91Å; Y369-N372 PolarHBondContact O-N 2.91Å; Y369-K374 VanDerWaalsContact CZ-CE 3.41Å; Y369-K374 PolarHBondContact O-NZ 3.07Å; Y369-K374 WeakPolarHBondContact OH-CE 3.46Å; Y369-G430 WeakPolarHBondContact OH-CA 3.49Å; Y369-F455 VanDerWaalsContact CE2-O 3.3Å; Y369-F455 WeakPolarHBondContact CE2-O 3.41Å; Y369-F455 PolarHBondContact OH-O 3.2Å; Y369-G456 VanDerWaalsContact CE2-C 3.49Å; Y369-G456 WeakPolarHBondContact CE2-O 3.48Å; Y369-G456 WeakPolarHBondContact OH-CA 3.22Å; Y369-H457 WeakPolarHBondContact CE2-O 3.45Å; Y369-M458 HydrophobicContact CD2-SD 4.32Å
370	N	95.1	Very high	96.5	Very high	59 Å²	59	44.6 Å²	44.6	32%	0.316	24%	0.244	S	C	.	.	H	α-helix	trans	-69	-24.4	-176.9	-73.1	-55.2	0	0	0	113.3	V21 D366 E367	V21-N370 PolarHBondContact N-OD1 2.79Å; V21-N370 PolarHBondContact O-ND2 3.36Å; D366-N370 WeakPolarHBondContact O-CB 3.34Å; D366-N370 VanDerWaalsContact O-CG 3.31Å; D366-N370 PolarHBondContact O-N 3.36Å; D366-N370 PolarHBondContact O-ND2 3.04Å; E367-N370 PolarHBondContact O-N 2.67Å
371	T	92.8	Very high	96.5	Very high	101 Å²	101	41.5 Å²	41.5	62%	0.62	23%	0.231	S	C	*	.	H	α-helix	trans	-89.2	-13.4	176.2	54.2	0	0	0	0	113.5	E367 L368 Y369	E367-T371 WeakPolarHBondContact O-CB 3.45Å; E367-T371 WeakPolarHBondContact O-CG2 3.46Å; E367-T371 PolarHBondContact O-N 2.81Å; E367-T371 VanDerWaalsContact O-N 3.07Å; E367-T371 PolarHBondContact O-OG1 2.79Å; L368-T371 PolarHBondContact O-OG1 3.32Å; L368-T371 VanDerWaalsContact O-OG1 3.13Å; Y369-T371 VanDerWaalsContact C-N 3.27Å; Y369-T371 PolarHBondContact O-N 2.91Å
372	N	91.4	Very high	96.5	Very high	28 Å²	28	38 Å²	38	15%	0.15	21%	0.207	C	C	.	.	S	Bend	trans	-74.2	131.6	178	-173.8	23.9	0	0	0	111.5	N352 L368 Y369 K374	N352-N372 PolarHBondContact ND2-OD1 3.32Å; L368-N372 PolarHBondContact O-N 3.04Å; Y369-N372 PolarHBondContact O-N 2.91Å; N372-K374 PolarHBondContact O-NZ 2.8Å
373	D	93	Very high	96.5	Very high	58 Å²	58	36.6 Å²	36.6	31%	0.31	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-63.8	136.7	171.2	-72.2	-66.3	0	0	0	110.4	S344 G346 Q348	S344-D373 VanDerWaalsContact OG-CB 3.28Å; S344-D373 WeakPolarHBondContact OG-CB 3.5Å; G346-D373 WeakPolarHBondContact CA-OD2 3.45Å; Q348-D373 VanDerWaalsContact CD-OD2 3.24Å; Q348-D373 PolarHBondContact NE2-OD2 2.93Å; Q348-D373 PolarHBondContact OE1-OD2 3.41Å
374	K	94.4	Very high	96.5	Very high	29 Å²	29	29.9 Å²	29.9	13%	0.126	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-94	149.3	-175.5	-58.9	-71.5	173.9	-86.5	0	110.3	Y369 N372 F376 G430	Y369-K374 VanDerWaalsContact CZ-CE 3.41Å; Y369-K374 PolarHBondContact O-NZ 3.07Å; Y369-K374 WeakPolarHBondContact OH-CE 3.46Å; N372-K374 PolarHBondContact O-NZ 2.8Å; K374-F376 HydrophobicContact CB-CD2 4.3Å; K374-F376 HydrophobicContact CB-CE2 3.51Å; K374-F376 HydrophobicContact CB-CZ 3.92Å; K374-G430 WeakPolarHBondContact CD-O 3.44Å
375	T	97.1	Very high	96.2	Very high	30 Å²	30	34.5 Å²	34.5	18%	0.184	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130	-179.4	-55.1	0	0	0	0	110	C342 C343 G431 L432 E433	C342-T375 VanDerWaalsContact C-CG2 3.44Å; C342-T375 HydrophobicContact CB-CG2 3.54Å; C343-T375 CarbonylContact O-C 3.52Å; C343-T375 VanDerWaalsContact O-CA 3.31Å; C343-T375 WeakPolarHBondContact O-CA 3.3Å; T375-G431 CarbonylContact O-C 3.55Å; T375-G431 WeakPolarHBondContact O-CA 3.23Å; T375-L432 PolarHBondContact O-N 2.88Å; T375-E433 HydrophobicContact CG2-CG 3.83Å
376	F	98.3	Very high	96	Very high	17 Å²	17	35.3 Å²	35.3	8%	0.075	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.2	-179	-67.5	-80.2	0	0	0	111.7	C343 K374 R378 H422 L426 Y427	C343-F376 PolarHBondContact N-O 2.66Å; C343-F376 PolarHBondContact O-N 2.74Å; K374-F376 HydrophobicContact CB-CD2 4.3Å; K374-F376 HydrophobicContact CB-CE2 3.51Å; K374-F376 HydrophobicContact CB-CZ 3.92Å; F376-R378 PolarHBondContact O-N 2.88Å; F376-H422 AromaticContact CD1-CE1 3.77Å; F376-H422 AromaticContact CD1-NE2 3.65Å; F376-H422 AromaticContact CG-NE2 3.87Å; F376-L426 HydrophobicContact CD1-CD2 3.96Å; F376-L426 HydrophobicContact CD1-CG 4.26Å; F376-L426 HydrophobicContact CE1-CG 4.34Å; F376-Y427 AromaticContact CE1-CD1 3.71Å; F376-Y427 HydrophobicContact CE1-CD1 3.71Å; F376-Y427 AromaticContact CE1-CE1 3.75Å; F376-Y427 HydrophobicContact CE1-CE1 3.75Å; F376-Y427 HydrophobicContact CE1-CG 4.38Å; F376-Y427 HydrophobicContact CE2-CD1 4.29Å; F376-Y427 AromaticContact CE2-CE1 3.89Å; F376-Y427 HydrophobicContact CE2-CE1 3.89Å; F376-Y427 AromaticContact CZ-CD1 3.38Å; F376-Y427 HydrophobicContact CZ-CD1 3.38Å; F376-Y427 AromaticContact CZ-CE1 3.37Å; F376-Y427 HydrophobicContact CZ-CE1 3.37Å; F376-Y427 HydrophobicContact CZ-CG 4.42Å
377	P	98.6	Very high	95.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	123.2	178.5	31.7	-34.2	0	0	0	110.4	I328 M341 L421 H422 L426 F450	I328-P377 HydrophobicContact CD1-CB 3.62Å; M341-P377 WeakPolarHBondContact O-CA 3.4Å; P377-L421 HydrophobicContact CB-CB 4.1Å; P377-L421 HydrophobicContact CB-CD1 4.47Å; P377-L421 HydrophobicContact CG-CB 4.3Å; P377-L421 PolarHBondContact O-N 3.4Å; P377-H422 HydrophobicContact CG-CB 4.27Å; P377-L426 HydrophobicContact CG-CD2 3.91Å; P377-F450 HydrophobicContact CB-CE2 3.96Å; P377-F450 HydrophobicContact CB-CZ 3.76Å; P377-F450 HydrophobicContact CG-CE2 4.29Å; P377-F450 HydrophobicContact CG-CZ 3.97Å
378	R	98.6	Very high	95.1	Very high	11 Å²	11	35.3 Å²	35.3	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.3	-176.3	-63	178.6	-171.7	-179	-0.1	110.6	D340 M341 C343 D345 F376 H418 E419	D340-R378 WeakPolarHBondContact CA-O 3.4Å; M341-R378 PolarHBondContact N-O 3.21Å; M341-R378 PolarHBondContact O-N 2.76Å; C343-R378 HydrophobicContact CB-CB 4.45Å; C343-R378 VanDerWaalsContact CB-CD 3.46Å; C343-R378 HydrophobicContact CB-CG 4.11Å; D345-R378 VanDerWaalsContact CG-NH2 3.25Å; D345-R378 IonicContact OD1-CZ 3.64Å; D345-R378 IonicContact OD1-NH1 3.08Å; D345-R378 PolarHBondContact OD1-NH1 3.29Å; D345-R378 IonicContact OD1-NH2 2.81Å; D345-R378 PolarHBondContact OD1-NH2 2.8Å; D345-R378 VanDerWaalsContact OD1-NH2 3.13Å; D345-R378 IonicContact OD2-CZ 3.32Å; D345-R378 IonicContact OD2-NH1 3.12Å; D345-R378 IonicContact OD2-NH2 3.24Å; D345-R378 PolarHBondContact OD2-NH2 2.92Å; F376-R378 PolarHBondContact O-N 2.88Å; R378-H418 HydrophobicContact CB-CB 4Å; R378-H418 VanDerWaalsContact CD-CE1 3.4Å; R378-H418 WeakPolarHBondContact CD-CE1 3.22Å; R378-H418 WeakPolarHBondContact CD-ND1 3.35Å; R378-H418 PolarHBondContact NH1-NE2 2.79Å; R378-E419 WeakPolarHBondContact CA-O 3.5Å
379	R	98.8	Very high	94.7	Very high	39 Å²	39	42.7 Å²	42.7	15%	0.147	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128	175.6	173.9	169	-70.3	179.5	0.2	111.2	V339 D340 V381 H418 E419 L421	V339-R379 WeakPolarHBondContact O-CA 3.35Å; D340-R379 WeakPolarHBondContact OD1-CB 3.03Å; D340-R379 WeakPolarHBondContact OD1-CD 3.25Å; D340-R379 WeakPolarHBondContact OD1-CG 3.25Å; D340-R379 IonicContact OD1-CZ 3.59Å; D340-R379 IonicContact OD1-NE 3.99Å; D340-R379 PolarHBondContact OD1-NE 3.08Å; D340-R379 IonicContact OD1-NH2 3.92Å; D340-R379 IonicContact OD2-CZ 3.53Å; D340-R379 IonicContact OD2-NE 3.05Å; D340-R379 PolarHBondContact OD2-NE 2.81Å; D340-R379 IonicContact OD2-NH2 3.99Å; D340-R379 PolarHBondContact OD2-NH2 2.84Å; R379-V381 HydrophobicContact CG-CG2 4.09Å; R379-H418 CarbonylContact O-C 3.5Å; R379-H418 WeakPolarHBondContact O-CA 3.45Å; R379-H418 WeakPolarHBondContact O-CB 3.47Å; R379-E419 HydrophobicContact CB-CG 3.92Å; R379-E419 HydrophobicContact CG-CG 4.42Å; R379-E419 PolarHBondContact N-O 2.95Å; R379-E419 PolarHBondContact O-N 3.45Å; R379-L421 HydrophobicContact CB-CD1 4.11Å; R379-L421 HydrophobicContact CB-CD2 3.52Å; R379-L421 HydrophobicContact CB-CG 3.92Å
380	F	98.7	Very high	94.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140.9	165.8	-66.3	-93.3	0	0	0	109.7	F302 T319 I322 M338 V339 M341 L382 C416 H418	F302-F380 AromaticContact CE2-CD1 3.76Å; F302-F380 HydrophobicContact CE2-CD1 3.76Å; F302-F380 HydrophobicContact CE2-CD2 4.48Å; F302-F380 AromaticContact CE2-CE1 3.99Å; F302-F380 HydrophobicContact CE2-CE1 3.99Å; F302-F380 HydrophobicContact CE2-CG 4.02Å; F302-F380 HydrophobicContact CE2-CZ 4.43Å; F302-F380 AromaticContact CZ-CD1 3.98Å; F302-F380 HydrophobicContact CZ-CD1 3.98Å; F302-F380 AromaticContact CZ-CD2 3.94Å; F302-F380 HydrophobicContact CZ-CD2 3.94Å; F302-F380 AromaticContact CZ-CE1 3.99Å; F302-F380 HydrophobicContact CZ-CE1 3.99Å; F302-F380 AromaticContact CZ-CE2 3.94Å; F302-F380 HydrophobicContact CZ-CE2 3.94Å; F302-F380 AromaticContact CZ-CG 3.95Å; F302-F380 HydrophobicContact CZ-CG 3.95Å; F302-F380 AromaticContact CZ-CZ 3.96Å; F302-F380 HydrophobicContact CZ-CZ 3.96Å; T319-F380 HydrophobicContact CG2-CE1 3.78Å; T319-F380 HydrophobicContact CG2-CZ 3.9Å; T319-F380 WeakPolarHBondContact OG1-CE1 3.41Å; I322-F380 HydrophobicContact CD1-CE2 3.93Å; I322-F380 HydrophobicContact CD1-CZ 3.66Å; M338-F380 WeakPolarHBondContact CA-O 3.21Å; V339-F380 HydrophobicContact CB-CB 4.45Å; V339-F380 PolarHBondContact N-O 2.88Å; V339-F380 PolarHBondContact O-N 2.91Å; M341-F380 HydrophobicContact CE-CD2 3.33Å; M341-F380 HydrophobicContact CE-CE2 3.65Å; M341-F380 HydrophobicContact CE-CG 4.28Å; M341-F380 HydrophobicContact CG-CD2 4.46Å; M341-F380 HydrophobicContact CG-CE2 4.37Å; M341-F380 HydrophobicContact SD-CD2 4.14Å; M341-F380 HydrophobicContact SD-CE2 3.88Å; F380-L382 HydrophobicContact CB-CD2 4.05Å; F380-C416 HydrophobicContact CD1-CB 4.03Å; F380-H418 HydrophobicContact CD1-CB 4.11Å; F380-H418 HydrophobicContact CD2-CB 4.2Å; F380-H418 HydrophobicContact CE1-CB 3.78Å; F380-H418 HydrophobicContact CE2-CB 3.9Å; F380-H418 HydrophobicContact CG-CB 4.31Å; F380-H418 HydrophobicContact CZ-CB 3.67Å
381	V	98.3	Very high	94.5	Very high	2 Å²	2	44 Å²	44	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	94	-177.8	177.3	0	0	0	0	108.7	F336 M338 R379 P383 A404 C406	F336-V381 HydrophobicContact CB-CG1 3.94Å; F336-V381 HydrophobicContact CD1-CG1 3.62Å; F336-V381 HydrophobicContact CE1-CG1 4.4Å; F336-V381 HydrophobicContact CG-CG1 3.92Å; M338-V381 HydrophobicContact SD-CB 4.24Å; M338-V381 HydrophobicContact SD-CG1 3.8Å; M338-V381 HydrophobicContact SD-CG2 3.97Å; R379-V381 HydrophobicContact CG-CG2 4.09Å; V381-P383 WeakPolarHBondContact O-CD 3.48Å; V381-A404 HydrophobicContact CB-CB 4.13Å; V381-A404 HydrophobicContact CG2-CB 3.85Å; V381-C406 PolarHBondContact O-SG 3.06Å
382	L	98.1	Very high	94.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	112	-170	-49.2	-175.6	0	0	0	110.4	F302 L304 Y317 F336 L337 V339 F380 L384	F302-L382 HydrophobicContact CB-CD1 4.27Å; F302-L382 HydrophobicContact CD2-CD1 4.48Å; F302-L382 HydrophobicContact CD2-CD2 4.31Å; F302-L382 HydrophobicContact CG-CD1 4.47Å; L304-L382 HydrophobicContact CD1-CD1 3.94Å; Y317-L382 HydrophobicContact CD1-CB 4.07Å; Y317-L382 HydrophobicContact CD1-CD2 3.89Å; Y317-L382 HydrophobicContact CD1-CG 4.43Å; Y317-L382 HydrophobicContact CD2-CD1 4.26Å; Y317-L382 HydrophobicContact CE1-CB 4.08Å; Y317-L382 HydrophobicContact CG-CB 4.36Å; Y317-L382 HydrophobicContact CG-CD1 4.21Å; Y317-L382 HydrophobicContact CG-CD2 3.94Å; Y317-L382 HydrophobicContact CG-CG 4.4Å; F336-L382 CarbonylContact C-O 3.58Å; F336-L382 WeakPolarHBondContact CA-O 3.22Å; L337-L382 HydrophobicContact CB-CB 4.32Å; L337-L382 PolarHBondContact N-O 3Å; L337-L382 PolarHBondContact O-N 2.95Å; V339-L382 HydrophobicContact CG2-CD1 3.89Å; V339-L382 HydrophobicContact CG2-CG 4.34Å; F380-L382 HydrophobicContact CB-CD2 4.05Å; L382-L384 PolarHBondContact O-N 2.75Å
383	P	96.9	Very high	94.7	Very high	9 Å²	9	47 Å²	47	6%	0.058	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.6	178.5	24.5	-33.7	0	0	0	111.3	Y317 F336 V381 V386 L396 C406	Y317-P383 HydrophobicContact CE1-CG 4.12Å; Y317-P383 PolarHBondContact OH-O 2.92Å; F336-P383 HydrophobicContact CD1-CB 3.92Å; F336-P383 HydrophobicContact CE1-CB 3.81Å; V381-P383 WeakPolarHBondContact O-CD 3.48Å; P383-V386 HydrophobicContact CB-CG2 3.83Å; P383-V386 HydrophobicContact CG-CG2 3.59Å; P383-V386 WeakPolarHBondContact O-CG2 3.48Å; P383-L396 HydrophobicContact CB-CB 4.42Å; P383-L396 HydrophobicContact CG-CB 3.98Å; P383-L396 HydrophobicContact CG-CD1 4.13Å; P383-C406 HydrophobicContact CG-CB 4.29Å
384	L	95.6	Very high	94.7	Very high	32 Å²	32	49.5 Å²	49.5	17%	0.168	27%	0.268	C	S	.	.	S	Bend	trans	-77.1	-30.8	-175.5	-69.3	170.7	0	0	0	113.4	Y263 L304 E332 G335 L337 L382 V386	Y263-L384 HydrophobicContact CD2-CD2 4Å; Y263-L384 HydrophobicContact CE1-CD2 4.45Å; Y263-L384 HydrophobicContact CE2-CD1 3.89Å; Y263-L384 HydrophobicContact CE2-CD2 3.61Å; Y263-L384 HydrophobicContact CE2-CG 4.37Å; L304-L384 HydrophobicContact CD2-CD2 4.02Å; E332-L384 HydrophobicContact CG-CD1 4.23Å; G335-L384 WeakPolarHBondContact O-CB 3.38Å; G335-L384 PolarHBondContact O-N 2.84Å; L337-L384 HydrophobicContact CB-CD2 3.85Å; L337-L384 HydrophobicContact CB-CG 4.22Å; L337-L384 HydrophobicContact CD2-CD2 4.46Å; L382-L384 PolarHBondContact O-N 2.75Å; L384-V386 PolarHBondContact O-N 2.95Å
385	N	91.9	Very high	94.8	Very high	138 Å²	138	51.9 Å²	51.9	74%	0.738	28%	0.282	S	S	*	.			trans	-97.8	53.6	-172.6	-65.1	-43.4	0	0	0	113
386	V	93.1	Very high	94.8	Very high	17 Å²	17	51.7 Å²	51.7	10%	0.103	28%	0.279	C	S	.	.			trans	-99.3	120.3	176.4	-170.9	0	0	0	0	110.5	M315 P383 L384 T390 L396 K408 V414	M315-V386 HydrophobicContact CE-CB 4.13Å; M315-V386 HydrophobicContact CE-CG1 3.58Å; M315-V386 HydrophobicContact CG-CB 4.25Å; M315-V386 HydrophobicContact CG-CG1 4.42Å; M315-V386 HydrophobicContact SD-CG1 4.18Å; P383-V386 HydrophobicContact CB-CG2 3.83Å; P383-V386 HydrophobicContact CG-CG2 3.59Å; P383-V386 WeakPolarHBondContact O-CG2 3.48Å; L384-V386 PolarHBondContact O-N 2.95Å; V386-T390 HydrophobicContact CG1-CG2 4.17Å; V386-L396 HydrophobicContact CG1-CD1 4.21Å; V386-L396 HydrophobicContact CG2-CD1 3.86Å; V386-K408 HydrophobicContact CG1-CD 3.97Å; V386-V414 HydrophobicContact CG1-CG2 4.08Å; V386-V414 HydrophobicContact CG2-CG2 4.48Å
387	T	89.4	Confident	94.6	Very high	72 Å²	72	51.5 Å²	51.5	44%	0.442	28%	0.279	S	S	.	.			trans	-117	174.9	-180	71.8	0	0	0	0	111.4	H389 T390 K408	T387-H389 PolarHBondContact O-N 2.82Å; T387-H389 PolarHBondContact OG1-N 2.86Å; T387-T390 PolarHBondContact N-OG1 3.33Å; T387-T390 WeakPolarHBondContact O-CB 3.42Å; T387-T390 PolarHBondContact O-N 2.63Å; T387-T390 VanDerWaalsContact O-N 3.16Å; T387-T390 PolarHBondContact O-OG1 2.89Å; T387-K408 PolarHBondContact O-NZ 2.77Å
388	S	85.4	Confident	94.4	Very high	78 Å²	78	56.7 Å²	56.7	55%	0.545	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.8	171.2	54.1	0	0	0	0	112.8	K408	S388-K408 PolarHBondContact O-NZ 3.37Å
389	H	87.8	Confident	94.1	Very high	170 Å²	170	58.2 Å²	58.2	79%	0.787	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-14.3	179.9	-57.5	95	0	0	0	114.3	T387	T387-H389 PolarHBondContact O-N 2.82Å; T387-H389 PolarHBondContact OG1-N 2.86Å
390	T	93.7	Very high	93.6	Very high	26 Å²	26	63 Å²	63	16%	0.16	35%	0.353	C	S	.	.	S	Bend	trans	-60	132.6	176.5	-56.1	0	0	0	0	110.1	V386 T387 L396 K408	V386-T390 HydrophobicContact CG1-CG2 4.17Å; T387-T390 PolarHBondContact N-OG1 3.33Å; T387-T390 WeakPolarHBondContact O-CB 3.42Å; T387-T390 PolarHBondContact O-N 2.63Å; T387-T390 VanDerWaalsContact O-N 3.16Å; T387-T390 PolarHBondContact O-OG1 2.89Å; T390-L396 HydrophobicContact CG2-CD1 4.03Å; T390-L396 HydrophobicContact CG2-CD2 3.67Å; T390-K408 HydrophobicContact CG2-CD 4.33Å; T390-K408 WeakPolarHBondContact O-CD 3.27Å; T390-K408 PolarHBondContact O-NZ 3.46Å
391	P	92.1	Very high	93	Very high	68 Å²	68	67.6 Å²	67.6	44%	0.442	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-56.4	143.9	179.5	-26.5	35	0	0	0	113	Q394	P391-Q394 HydrophobicContact CB-CG 4.46Å
392	T	95.3	Very high	92.8	Very high	67 Å²	67	68.3 Å²	68.3	41%	0.411	39%	0.39	S	S	.	.	S	Bend	trans	-88.3	161.6	171.6	53.1	0	0	0	0	111	Q394 K408	T392-Q394 PolarHBondContact O-N 2.94Å; T392-K408 CarbonylContact C-O 3.49Å; T392-K408 WeakPolarHBondContact CA-O 3.43Å; T392-K408 WeakPolarHBondContact CB-O 3.47Å; T392-K408 HydrophobicContact CG2-CD 4.32Å; T392-K408 HydrophobicContact CG2-CG 4.23Å
393	N	93.9	Very high	92.6	Very high	123 Å²	123	76.8 Å²	76.8	66%	0.658	43%	0.427	S	S	*	.	S	Bend	trans	60.5	25.7	175	-54.5	-35.4	0	0	0	114.7	K408	N393-K408 PolarHBondContact N-O 2.95Å
394	Q	93.8	Very high	92.6	Very high	112 Å²	112	76.4 Å²	76.4	52%	0.523	43%	0.425	S	S	.	.	S	Bend	trans	-122.1	143	173.2	-64.5	-180	6.2	0	0	109.4	P391 T392 L396 V407	P391-Q394 HydrophobicContact CB-CG 4.46Å; T392-Q394 PolarHBondContact O-N 2.94Å; Q394-L396 PolarHBondContact O-N 3.48Å; Q394-V407 WeakPolarHBondContact O-CA 3.16Å
395	N	96	Very high	92.8	Very high	79 Å²	79	76.6 Å²	76.6	42%	0.422	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-69.8	118.3	171.1	-175.5	19.1	0	0	0	109.2	N397 T405 C406	N395-N397 PolarHBondContact OD1-N 2.7Å; N395-N397 VanDerWaalsContact OD1-N 3.09Å; N395-T405 WeakPolarHBondContact OD1-CA 3.46Å; N395-C406 PolarHBondContact OD1-N 3.01Å; N395-C406 PolarHBondContact OD1-O 2.77Å
396	L	96.4	Very high	93	Very high	26 Å²	26	70 Å²	70	14%	0.136	39%	0.392	C	S	.	.			trans	-86.7	-13.5	179.6	-57.3	-178	0	0	0	112.4	F336 P383 V386 T390 Q394 T398 C406 K408	F336-L396 WeakPolarHBondContact CE1-O 3.38Å; P383-L396 HydrophobicContact CB-CB 4.42Å; P383-L396 HydrophobicContact CG-CB 3.98Å; P383-L396 HydrophobicContact CG-CD1 4.13Å; V386-L396 HydrophobicContact CG1-CD1 4.21Å; V386-L396 HydrophobicContact CG2-CD1 3.86Å; T390-L396 HydrophobicContact CG2-CD1 4.03Å; T390-L396 HydrophobicContact CG2-CD2 3.67Å; Q394-L396 PolarHBondContact O-N 3.48Å; L396-T398 PolarHBondContact O-N 2.89Å; L396-C406 HydrophobicContact CB-CB 4.47Å; L396-C406 WeakPolarHBondContact CB-O 3.12Å; L396-C406 WeakPolarHBondContact CG-O 3.49Å; L396-C406 PolarHBondContact N-O 2.82Å; L396-K408 HydrophobicContact CD1-CB 4Å
397	N	95.1	Very high	93.2	Very high	13 Å²	13	71 Å²	71	7%	0.07	40%	0.398	C	S	.	.			trans	-74.9	107	172.1	-175	8.5	0	0	0	109.6	N395 R399 S402 A404	N395-N397 PolarHBondContact OD1-N 2.7Å; N395-N397 VanDerWaalsContact OD1-N 3.09Å; N397-R399 WeakPolarHBondContact OD1-CB 3.44Å; N397-R399 WeakPolarHBondContact OD1-CG 3.45Å; N397-R399 PolarHBondContact OD1-N 2.73Å; N397-R399 VanDerWaalsContact OD1-N 3.09Å; N397-S402 PolarHBondContact ND2-OG 2.8Å; N397-A404 PolarHBondContact ND2-O 3.31Å
398	T	92.9	Very high	93.6	Very high	109 Å²	109	67.7 Å²	67.7	67%	0.669	38%	0.378	S	S	*	.			trans	-96.2	5.1	-179.5	59.7	0	0	0	0	113.2	F336 L396 P400	F336-T398 WeakPolarHBondContact CZ-OG1 3.5Å; L396-T398 PolarHBondContact O-N 2.89Å; T398-P400 WeakPolarHBondContact O-CD 3.26Å
399	R	92.2	Very high	94	Very high	43 Å²	43	67.3 Å²	67.3	16%	0.162	37%	0.369	C	S	.	.			trans	-77.3	119.6	-176.9	-62.3	-176.9	71.2	80.8	7.3	110.8	E333 D334 F336 N397 S401 S402	E333-R399 IonicContact OE2-CZ 3.69Å; E333-R399 VanDerWaalsContact OE2-CZ 3.25Å; E333-R399 IonicContact OE2-NH1 3.57Å; E333-R399 PolarHBondContact OE2-NH1 2.94Å; E333-R399 IonicContact OE2-NH2 3.68Å; E333-R399 PolarHBondContact OE2-NH2 2.97Å; D334-R399 IonicContact OD2-CZ 3.31Å; D334-R399 IonicContact OD2-NH1 2.8Å; D334-R399 PolarHBondContact OD2-NH1 3.33Å; D334-R399 IonicContact OD2-NH2 2.67Å; F336-R399 HydrophobicContact CD2-CG 4.13Å; F336-R399 HydrophobicContact CE2-CG 4.1Å; N397-R399 WeakPolarHBondContact OD1-CB 3.44Å; N397-R399 WeakPolarHBondContact OD1-CG 3.45Å; N397-R399 PolarHBondContact OD1-N 2.73Å; N397-R399 VanDerWaalsContact OD1-N 3.09Å; R399-S401 VanDerWaalsContact C-N 3.25Å; R399-S401 PolarHBondContact O-N 3.01Å; R399-S402 PolarHBondContact O-N 3.24Å
400	P	88.4	Confident	94.3	Very high	139 Å²	139	61.9 Å²	61.9	90%	0.903	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.6	-178.8	-22.2	33.6	0	0	0	114.3	T398	T398-P400 WeakPolarHBondContact O-CD 3.26Å
401	S	86.8	Confident	94.1	Very high	97 Å²	97	63 Å²	63	68%	0.678	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-10	-176.9	52.8	0	0	0	0	114.1	R399	R399-S401 VanDerWaalsContact C-N 3.25Å; R399-S401 PolarHBondContact O-N 3.01Å
402	S	93.2	Very high	94	Very high	17 Å²	17	67 Å²	67	12%	0.119	37%	0.369	C	S	.	.			trans	-107.1	136	-174.2	-178.3	0	0	0	0	111.3	N397 R399 A404 E419	N397-S402 PolarHBondContact ND2-OG 2.8Å; R399-S402 PolarHBondContact O-N 3.24Å; S402-A404 WeakPolarHBondContact OG-CB 3.47Å; S402-A404 PolarHBondContact OG-N 2.78Å; S402-E419 VanDerWaalsContact CB-OE1 3.31Å; S402-E419 WeakPolarHBondContact CB-OE1 3.1Å; S402-E419 PolarHBondContact OG-OE1 2.89Å
403	K	95.1	Very high	94	Very high	177 Å²	177	66 Å²	66	77%	0.77	36%	0.359	S	S	*	.			trans	-91.3	-4.2	172	-63	-176.7	-178.1	179.3	0	113.3	E419	K403-E419 HydrophobicContact CB-CB 4.08Å; K403-E419 PolarHBondContact N-OE2 2.97Å
404	A	97.6	Very high	94.1	Very high	2 Å²	2	60.1 Å²	60.1	2%	0.017	33%	0.328	C	S	.	.			trans	-66.1	148.6	178.6	0	0	0	0	0	110.2	V381 N397 S402 Q417 E419	V381-A404 HydrophobicContact CB-CB 4.13Å; V381-A404 HydrophobicContact CG2-CB 3.85Å; N397-A404 PolarHBondContact ND2-O 3.31Å; S402-A404 WeakPolarHBondContact OG-CB 3.47Å; S402-A404 PolarHBondContact OG-N 2.78Å; A404-Q417 CarbonylContact C-O 3.36Å; A404-Q417 VanDerWaalsContact CA-O 3.28Å; A404-Q417 WeakPolarHBondContact CA-O 3.4Å; A404-Q417 WeakPolarHBondContact CB-O 3.38Å; A404-E419 HydrophobicContact CB-CB 4.36Å; A404-E419 HydrophobicContact CB-CG 4.37Å
405	T	98	Very high	94.4	Very high	35 Å²	35	56.9 Å²	56.9	22%	0.215	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	148	175.9	68.3	0	0	0	0	110.4	N395 C416 Q417	N395-T405 WeakPolarHBondContact OD1-CA 3.46Å; T405-C416 CarbonylContact O-C 3.48Å; T405-C416 VanDerWaalsContact O-CA 3.24Å; T405-C416 WeakPolarHBondContact O-CA 3.16Å; T405-Q417 PolarHBondContact N-O 3Å; T405-Q417 PolarHBondContact O-N 2.77Å; T405-Q417 WeakPolarHBondContact OG1-CB 3.39Å; T405-Q417 WeakPolarHBondContact OG1-CG 3.34Å; T405-Q417 PolarHBondContact OG1-OE1 3.46Å; T405-Q417 VanDerWaalsContact OG1-OE1 3.11Å
406	C	96.6	Very high	94.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	106.8	175.6	-83.9	0	0	0	0	109.1	V381 P383 N395 L396 V414 F415 C416	V381-C406 PolarHBondContact O-SG 3.06Å; P383-C406 HydrophobicContact CG-CB 4.29Å; N395-C406 PolarHBondContact OD1-N 3.01Å; N395-C406 PolarHBondContact OD1-O 2.77Å; L396-C406 HydrophobicContact CB-CB 4.47Å; L396-C406 WeakPolarHBondContact CB-O 3.12Å; L396-C406 WeakPolarHBondContact CG-O 3.49Å; L396-C406 PolarHBondContact N-O 2.82Å; C406-V414 HydrophobicContact CB-CG1 3.92Å; C406-F415 CarbonylContact C-O 3.57Å; C406-F415 WeakPolarHBondContact CA-O 3.34Å; C406-C416 PolarHBondContact SG-SG 2.8Å
407	V	97.8	Very high	94.6	Very high	38 Å²	38	56.7 Å²	56.7	23%	0.23	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.8	-176.1	-178.8	0	0	0	0	109.3	Q394 I409 V414 F415	Q394-V407 WeakPolarHBondContact O-CA 3.16Å; V407-I409 HydrophobicContact CG1-CG2 4.17Å; V407-I409 PolarHBondContact O-N 3.11Å; V407-V414 CarbonylContact O-C 3.44Å; V407-V414 WeakPolarHBondContact O-CA 3.43Å; V407-F415 PolarHBondContact N-O 3.44Å; V407-F415 PolarHBondContact O-N 2.88Å
408	K	96.8	Very high	94.7	Very high	3 Å²	3	58.7 Å²	58.7	1%	0.013	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	119.7	171.2	-175.1	-175.8	168.7	-167	0	109.4	V386 T387 S388 T390 T392 N393 L396 S410 V414	V386-K408 HydrophobicContact CG1-CD 3.97Å; T387-K408 PolarHBondContact O-NZ 2.77Å; S388-K408 PolarHBondContact O-NZ 3.37Å; T390-K408 HydrophobicContact CG2-CD 4.33Å; T390-K408 WeakPolarHBondContact O-CD 3.27Å; T390-K408 PolarHBondContact O-NZ 3.46Å; T392-K408 CarbonylContact C-O 3.49Å; T392-K408 WeakPolarHBondContact CA-O 3.43Å; T392-K408 WeakPolarHBondContact CB-O 3.47Å; T392-K408 HydrophobicContact CG2-CD 4.32Å; T392-K408 HydrophobicContact CG2-CG 4.23Å; N393-K408 PolarHBondContact N-O 2.95Å; L396-K408 HydrophobicContact CD1-CB 4Å; K408-S410 WeakPolarHBondContact CE-O 3.38Å; K408-S410 VanDerWaalsContact CG-O 3.3Å; K408-S410 WeakPolarHBondContact CG-O 3.44Å; K408-V414 HydrophobicContact CB-CG2 4.2Å; K408-V414 HydrophobicContact CG-CG2 4.4Å
409	I	95.7	Very high	94.9	Very high	70 Å²	70	54.3 Å²	54.3	36%	0.359	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-19.1	-176.4	55.8	169.1	0	0	0	113	V407 K413 F415	V407-I409 HydrophobicContact CG1-CG2 4.17Å; V407-I409 PolarHBondContact O-N 3.11Å; I409-K413 HydrophobicContact CD1-CD 3.47Å; I409-K413 VanDerWaalsContact CD1-CD 3.47Å; I409-K413 HydrophobicContact CD1-CG 3.78Å; I409-K413 HydrophobicContact CG1-CB 4.02Å; I409-K413 HydrophobicContact CG1-CD 3.92Å; I409-K413 HydrophobicContact CG1-CG 3.75Å; I409-K413 WeakPolarHBondContact CG1-O 3.43Å; I409-K413 PolarHBondContact N-O 2.77Å; I409-F415 HydrophobicContact CD1-CB 4.02Å; I409-F415 HydrophobicContact CG1-CB 4.42Å; I409-F415 HydrophobicContact CG2-CB 4.29Å
410	S	92.9	Very high	95.2	Very high	56 Å²	56	55 Å²	55	39%	0.392	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	-178.9	171	82.6	0	0	0	0	111.4	K408 Y412 K413	K408-S410 WeakPolarHBondContact CE-O 3.38Å; K408-S410 VanDerWaalsContact CG-O 3.3Å; K408-S410 WeakPolarHBondContact CG-O 3.44Å; S410-Y412 PolarHBondContact O-N 2.83Å; S410-Y412 VanDerWaalsContact O-N 3.11Å; S410-K413 PolarHBondContact N-O 3.04Å; S410-K413 PolarHBondContact O-N 2.74Å; S410-K413 WeakPolarHBondContact OG-CB 3.13Å
411	A	88.7	Confident	95.6	Very high	49 Å²	49	48.5 Å²	48.5	41%	0.405	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-33.5	-176.7	0	0	0	0	0	114.1	M315	M315-A411 WeakPolarHBondContact CE-O 3.3Å
412	Y	90	Very high	96.1	Very high	151 Å²	151	44.4 Å²	44.4	59%	0.592	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.3	17.7	-174.8	-55.9	-71.5	0	0	0	113.2	P314 K316 S410	P314-Y412 HydrophobicContact CB-CD1 4.38Å; K316-Y412 PolarHBondContact N-O 3.32Å; K316-Y412 VanDerWaalsContact N-O 3.08Å; S410-Y412 PolarHBondContact O-N 2.83Å; S410-Y412 VanDerWaalsContact O-N 3.11Å
413	K	95.2	Very high	96.2	Very high	47 Å²	47	44.8 Å²	44.8	20%	0.204	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	121.1	-175.8	-168.7	175.7	-178.1	-169.4	0	111.5	E299 H318 I409 S410	E299-K413 IonicContact OE1-NZ 3.25Å; E299-K413 PolarHBondContact OE1-NZ 2.87Å; E299-K413 WeakPolarHBondContact OE2-CE 3.34Å; E299-K413 IonicContact OE2-NZ 3.75Å; E299-K413 PolarHBondContact OE2-NZ 2.8Å; H318-K413 VanDerWaalsContact ND1-CE 3.35Å; H318-K413 WeakPolarHBondContact ND1-CE 3.35Å; I409-K413 HydrophobicContact CD1-CD 3.47Å; I409-K413 VanDerWaalsContact CD1-CD 3.47Å; I409-K413 HydrophobicContact CD1-CG 3.78Å; I409-K413 HydrophobicContact CG1-CB 4.02Å; I409-K413 HydrophobicContact CG1-CD 3.92Å; I409-K413 HydrophobicContact CG1-CG 3.75Å; I409-K413 WeakPolarHBondContact CG1-O 3.43Å; I409-K413 PolarHBondContact N-O 2.77Å; S410-K413 PolarHBondContact N-O 3.04Å; S410-K413 PolarHBondContact O-N 2.74Å; S410-K413 WeakPolarHBondContact OG-CB 3.13Å
414	V	97.8	Very high	96.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.8	167.8	178.7	0	0	0	0	108.5	M315 K316 Y317 H318 V386 C406 V407 K408	M315-V414 HydrophobicContact CG-CG2 4.15Å; M315-V414 HydrophobicContact SD-CG2 3.71Å; K316-V414 PolarHBondContact O-N 3.25Å; Y317-V414 CarbonylContact C-O 3.55Å; Y317-V414 WeakPolarHBondContact CA-O 3.17Å; Y317-V414 HydrophobicContact CD1-CB 3.76Å; Y317-V414 HydrophobicContact CD1-CG1 3.89Å; Y317-V414 HydrophobicContact CD1-CG2 4.33Å; Y317-V414 HydrophobicContact CE1-CB 4.08Å; Y317-V414 HydrophobicContact CE1-CG1 4.23Å; Y317-V414 HydrophobicContact CE1-CG2 4.15Å; H318-V414 PolarHBondContact N-O 2.96Å; V386-V414 HydrophobicContact CG1-CG2 4.08Å; V386-V414 HydrophobicContact CG2-CG2 4.48Å; C406-V414 HydrophobicContact CB-CG1 3.92Å; V407-V414 CarbonylContact O-C 3.44Å; V407-V414 WeakPolarHBondContact O-CA 3.43Å; K408-V414 HydrophobicContact CB-CG2 4.2Å; K408-V414 HydrophobicContact CG-CG2 4.4Å
415	F	98.4	Very high	96	Very high	44 Å²	44	44.9 Å²	44.9	19%	0.193	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.5	174	-167.6	-90.9	0	0	0	109.9	H318 K320 C406 V407 I409 Q417	H318-F415 HydrophobicContact CB-CD2 4.24Å; H318-F415 CarbonylContact O-C 3.58Å; H318-F415 WeakPolarHBondContact O-CA 3.28Å; K320-F415 HydrophobicContact CG-CZ 3.94Å; C406-F415 CarbonylContact C-O 3.57Å; C406-F415 WeakPolarHBondContact CA-O 3.34Å; V407-F415 PolarHBondContact N-O 3.44Å; V407-F415 PolarHBondContact O-N 2.88Å; I409-F415 HydrophobicContact CD1-CB 4.02Å; I409-F415 HydrophobicContact CG1-CB 4.42Å; I409-F415 HydrophobicContact CG2-CB 4.29Å; F415-Q417 HydrophobicContact CE1-CG 4.25Å
416	C	98.4	Very high	96	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.9	-169.2	-48.3	0	0	0	0	109.8	H318 T319 F380 T405 C406	H318-C416 PolarHBondContact O-N 3.3Å; T319-C416 WeakPolarHBondContact CB-O 3.32Å; T319-C416 PolarHBondContact OG1-O 3Å; F380-C416 HydrophobicContact CD1-CB 4.03Å; T405-C416 CarbonylContact O-C 3.48Å; T405-C416 VanDerWaalsContact O-CA 3.24Å; T405-C416 WeakPolarHBondContact O-CA 3.16Å; C406-C416 PolarHBondContact SG-SG 2.8Å
417	Q	98.3	Very high	95.9	Very high	100 Å²	100	45 Å²	45	47%	0.467	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.3	165.7	-57.1	177.1	-18.7	0	0	108	A404 T405 F415	A404-Q417 CarbonylContact C-O 3.36Å; A404-Q417 VanDerWaalsContact CA-O 3.28Å; A404-Q417 WeakPolarHBondContact CA-O 3.4Å; A404-Q417 WeakPolarHBondContact CB-O 3.38Å; T405-Q417 PolarHBondContact N-O 3Å; T405-Q417 PolarHBondContact O-N 2.77Å; T405-Q417 WeakPolarHBondContact OG1-CB 3.39Å; T405-Q417 WeakPolarHBondContact OG1-CG 3.34Å; T405-Q417 PolarHBondContact OG1-OE1 3.46Å; T405-Q417 VanDerWaalsContact OG1-OE1 3.11Å; F415-Q417 HydrophobicContact CE1-CG 4.25Å
418	H	98.3	Very high	95.8	Very high	55 Å²	55	49.7 Å²	49.7	26%	0.255	25%	0.254	S	S	.	.			trans	-75.6	166.3	179.8	61.8	86.2	0	0	0	111.8	R378 R379 F380 N420	R378-H418 HydrophobicContact CB-CB 4Å; R378-H418 VanDerWaalsContact CD-CE1 3.4Å; R378-H418 WeakPolarHBondContact CD-CE1 3.22Å; R378-H418 WeakPolarHBondContact CD-ND1 3.35Å; R378-H418 PolarHBondContact NH1-NE2 2.79Å; R379-H418 CarbonylContact O-C 3.5Å; R379-H418 WeakPolarHBondContact O-CA 3.45Å; R379-H418 WeakPolarHBondContact O-CB 3.47Å; F380-H418 HydrophobicContact CD1-CB 4.11Å; F380-H418 HydrophobicContact CD2-CB 4.2Å; F380-H418 HydrophobicContact CE1-CB 3.78Å; F380-H418 HydrophobicContact CE2-CB 3.9Å; F380-H418 HydrophobicContact CG-CB 4.31Å; F380-H418 HydrophobicContact CZ-CB 3.67Å; H418-N420 PolarHBondContact CE1-OD1 2.94Å; H418-N420 VanDerWaalsContact CE1-OD1 3.27Å; H418-N420 PolarHBondContact ND1-OD1 2.96Å
419	E	97.6	Very high	95.8	Very high	17 Å²	17	52.2 Å²	52.2	8%	0.079	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	152.7	154.1	66.5	-180	134	0	0	110.7	R378 R379 S402 K403 A404 K471	R378-E419 WeakPolarHBondContact CA-O 3.5Å; R379-E419 HydrophobicContact CB-CG 3.92Å; R379-E419 HydrophobicContact CG-CG 4.42Å; R379-E419 PolarHBondContact N-O 2.95Å; R379-E419 PolarHBondContact O-N 3.45Å; S402-E419 VanDerWaalsContact CB-OE1 3.31Å; S402-E419 WeakPolarHBondContact CB-OE1 3.1Å; S402-E419 PolarHBondContact OG-OE1 2.89Å; K403-E419 HydrophobicContact CB-CB 4.08Å; K403-E419 PolarHBondContact N-OE2 2.97Å; A404-E419 HydrophobicContact CB-CB 4.36Å; A404-E419 HydrophobicContact CB-CG 4.37Å; E419-K471 IonicContact OE2-NZ 2.66Å; E419-K471 PolarHBondContact OE2-NZ 3.36Å; E419-K471 VanDerWaalsContact OE2-NZ 3.12Å
420	N	97.7	Very high	95.7	Very high	56 Å²	56	49 Å²	49	30%	0.299	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	142.4	173.8	-66.5	-13.6	0	0	0	110.2	H418 H422 K471	H418-N420 PolarHBondContact CE1-OD1 2.94Å; H418-N420 VanDerWaalsContact CE1-OD1 3.27Å; H418-N420 PolarHBondContact ND1-OD1 2.96Å; N420-H422 VanDerWaalsContact C-N 3.33Å; N420-K471 WeakPolarHBondContact O-CE 3.46Å; N420-K471 PolarHBondContact O-NZ 3.31Å
421	L	97.8	Very high	95.9	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	23%	0.229	C	C	.	.	S	Bend	trans	-96.1	17.9	177.2	-63.8	-179.4	0	0	0	113	I328 D340 P377 R379 F450 L468	I328-L421 HydrophobicContact CD1-CD1 4.4Å; D340-L421 HydrophobicContact CB-CD1 3.83Å; P377-L421 HydrophobicContact CB-CB 4.1Å; P377-L421 HydrophobicContact CB-CD1 4.47Å; P377-L421 HydrophobicContact CG-CB 4.3Å; P377-L421 PolarHBondContact O-N 3.4Å; R379-L421 HydrophobicContact CB-CD1 4.11Å; R379-L421 HydrophobicContact CB-CD2 3.52Å; R379-L421 HydrophobicContact CB-CG 3.92Å; L421-F450 HydrophobicContact CB-CZ 4.45Å; L421-L468 HydrophobicContact CB-CD2 3.84Å; L421-L468 HydrophobicContact CD1-CD2 4.2Å; L421-L468 HydrophobicContact CD2-CD2 3.74Å; L421-L468 HydrophobicContact CG-CD2 4.13Å
422	H	97.3	Very high	96.4	Very high	12 Å²	12	44 Å²	44	6%	0.056	21%	0.21	C	C	.	.	S	Bend	trans	-142.4	158.9	-173.9	66.3	90.1	0	0	0	111.5	F376 P377 N420 L426 M466	F376-H422 AromaticContact CD1-CE1 3.77Å; F376-H422 AromaticContact CD1-NE2 3.65Å; F376-H422 AromaticContact CG-NE2 3.87Å; P377-H422 HydrophobicContact CG-CB 4.27Å; N420-H422 VanDerWaalsContact C-N 3.33Å; H422-L426 HydrophobicContact CB-CB 3.97Å; H422-L426 HydrophobicContact CB-CD2 3.52Å; H422-L426 HydrophobicContact CB-CG 4.39Å; H422-M466 HydrophobicContact CB-CE 3.68Å
423	G	95.2	Very high	96.8	Very high	24 Å²	24	37.5 Å²	37.5	25%	0.247	19%	0.185	C	C	.	.			trans	-84.3	-175.3	164.5	0	0	0	0	0	112.9	D425 K471	G423-D425 WeakPolarHBondContact CA-OD1 3.2Å; G423-D425 PolarHBondContact O-N 3.47Å; G423-K471 PolarHBondContact N-O 3.22Å; G423-K471 VanDerWaalsContact N-O 3.09Å
424	D	94.1	Very high	96.9	Very high	124 Å²	124	36 Å²	36	66%	0.663	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-74.2	-15.3	179.8	-69	-23	0	0	0	113.1	L426 Y427	D424-L426 VanDerWaalsContact C-N 3.27Å; D424-L426 PolarHBondContact O-N 3.18Å; D424-Y427 HydrophobicContact CB-CD2 4.27Å; D424-Y427 WeakPolarHBondContact O-CB 3.26Å; D424-Y427 VanDerWaalsContact O-CD2 3.28Å; D424-Y427 WeakPolarHBondContact O-CD2 3.37Å; D424-Y427 PolarHBondContact O-N 2.97Å
425	D	94.4	Very high	96.9	Very high	57 Å²	57	36.6 Å²	36.6	31%	0.305	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-60.4	-33	174.6	51.9	-9.6	0	0	0	112.9	G423 Y427 E428 L473	G423-D425 WeakPolarHBondContact CA-OD1 3.2Å; G423-D425 PolarHBondContact O-N 3.47Å; D425-Y427 PolarHBondContact O-N 3.32Å; D425-E428 WeakPolarHBondContact O-CB 3.36Å; D425-E428 PolarHBondContact O-N 3.32Å; D425-L473 HydrophobicContact CB-CD2 4.11Å; D425-L473 WeakPolarHBondContact OD1-CD2 3.47Å; D425-L473 WeakPolarHBondContact OD2-CD2 3.42Å; D425-L473 WeakPolarHBondContact OD2-CG 3.41Å
426	L	96.9	Very high	96.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-63.2	-23.9	178.9	-174.8	59	0	0	0	113.4	F376 P377 H422 D424 E428 Y429 G431 L432 L464 M466 L473	F376-L426 HydrophobicContact CD1-CD2 3.96Å; F376-L426 HydrophobicContact CD1-CG 4.26Å; F376-L426 HydrophobicContact CE1-CG 4.34Å; P377-L426 HydrophobicContact CG-CD2 3.91Å; H422-L426 HydrophobicContact CB-CB 3.97Å; H422-L426 HydrophobicContact CB-CD2 3.52Å; H422-L426 HydrophobicContact CB-CG 4.39Å; D424-L426 VanDerWaalsContact C-N 3.27Å; D424-L426 PolarHBondContact O-N 3.18Å; L426-E428 PolarHBondContact O-N 2.85Å; L426-Y429 PolarHBondContact O-N 3.5Å; L426-Y429 VanDerWaalsContact O-N 3.11Å; L426-G431 PolarHBondContact O-N 3.13Å; L426-L432 HydrophobicContact CD1-CB 4.43Å; L426-L432 HydrophobicContact CD2-CB 4.3Å; L426-L464 HydrophobicContact CD1-CD1 3.48Å; L426-L464 VanDerWaalsContact CD1-CD1 3.48Å; L426-M466 HydrophobicContact CD2-CE 4.46Å; L426-L473 HydrophobicContact CB-CD2 3.91Å; L426-L473 HydrophobicContact CD1-CD2 4.22Å
427	Y	95.6	Very high	96.9	Very high	39 Å²	39	36.8 Å²	36.8	15%	0.153	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-63.6	-24.4	175.8	-69	-74.7	0	0	0	112.6	A16 F376 D424 D425 Y429 G430	A16-Y427 HydrophobicContact CB-CD2 4.27Å; A16-Y427 HydrophobicContact CB-CE2 4.38Å; F376-Y427 AromaticContact CE1-CD1 3.71Å; F376-Y427 HydrophobicContact CE1-CD1 3.71Å; F376-Y427 AromaticContact CE1-CE1 3.75Å; F376-Y427 HydrophobicContact CE1-CE1 3.75Å; F376-Y427 HydrophobicContact CE1-CG 4.38Å; F376-Y427 HydrophobicContact CE2-CD1 4.29Å; F376-Y427 AromaticContact CE2-CE1 3.89Å; F376-Y427 HydrophobicContact CE2-CE1 3.89Å; F376-Y427 AromaticContact CZ-CD1 3.38Å; F376-Y427 HydrophobicContact CZ-CD1 3.38Å; F376-Y427 AromaticContact CZ-CE1 3.37Å; F376-Y427 HydrophobicContact CZ-CE1 3.37Å; F376-Y427 HydrophobicContact CZ-CG 4.42Å; D424-Y427 HydrophobicContact CB-CD2 4.27Å; D424-Y427 WeakPolarHBondContact O-CB 3.26Å; D424-Y427 VanDerWaalsContact O-CD2 3.28Å; D424-Y427 WeakPolarHBondContact O-CD2 3.37Å; D424-Y427 PolarHBondContact O-N 2.97Å; D425-Y427 PolarHBondContact O-N 3.32Å; Y427-Y429 PolarHBondContact O-N 2.74Å; Y427-G430 PolarHBondContact O-N 3.14Å
428	E	94.4	Very high	96.9	Very high	135 Å²	135	32.2 Å²	32.2	63%	0.631	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-71.1	-20.1	176.8	-56.3	-163.6	149.9	0	0	112.7	D425 L426	D425-E428 WeakPolarHBondContact O-CB 3.36Å; D425-E428 PolarHBondContact O-N 3.32Å; L426-E428 PolarHBondContact O-N 2.85Å
429	Y	96.3	Very high	96.9	Very high	56 Å²	56	32.8 Å²	32.8	22%	0.22	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-109.3	16.6	-178.8	-56.2	-74.1	0	0	0	112.7	L426 Y427 G431 G454 F455 G456 L464 L473 V475	L426-Y429 PolarHBondContact O-N 3.5Å; L426-Y429 VanDerWaalsContact O-N 3.11Å; Y427-Y429 PolarHBondContact O-N 2.74Å; Y429-G431 PolarHBondContact O-N 3.13Å; Y429-G454 CarbonylContact O-C 3.51Å; Y429-F455 CarbonylContact O-C 3.57Å; Y429-F455 PolarHBondContact O-N 2.79Å; Y429-G456 PolarHBondContact O-N 2.95Å; Y429-G456 VanDerWaalsContact O-N 3.12Å; Y429-L464 HydrophobicContact CD1-CD2 4.49Å; Y429-L464 HydrophobicContact CD2-CD2 4.28Å; Y429-L464 HydrophobicContact CG-CD2 4.05Å; Y429-L473 HydrophobicContact CD2-CD1 4.3Å; Y429-L473 HydrophobicContact CE2-CD1 4.01Å; Y429-V475 HydrophobicContact CD1-CG1 4.07Å; Y429-V475 HydrophobicContact CD2-CG2 4.24Å; Y429-V475 HydrophobicContact CE1-CB 4.33Å; Y429-V475 HydrophobicContact CE1-CG1 3.61Å; Y429-V475 HydrophobicContact CE1-CG2 4.09Å; Y429-V475 HydrophobicContact CE2-CG2 3.66Å
430	G	95.4	Very high	96.7	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.021	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	19.2	172.7	0	0	0	0	0	115.4	Y369 K374 Y427 F455	Y369-G430 WeakPolarHBondContact OH-CA 3.49Å; K374-G430 WeakPolarHBondContact CD-O 3.44Å; Y427-G430 PolarHBondContact O-N 3.14Å; G430-F455 WeakPolarHBondContact CA-O 3.48Å
431	G	96.8	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	95.6	-161.1	-178.1	0	0	0	0	0	113.2	T375 L426 Y429 G454	T375-G431 CarbonylContact O-C 3.55Å; T375-G431 WeakPolarHBondContact O-CA 3.23Å; L426-G431 PolarHBondContact O-N 3.13Å; Y429-G431 PolarHBondContact O-N 3.13Å; G431-G454 WeakPolarHBondContact O-CA 3.46Å
432	L	97.9	Very high	96.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	133.7	-175.9	-171.6	152.1	0	0	0	111.1	T375 L426 P435 F450 C453 L464 M466	T375-L432 PolarHBondContact O-N 2.88Å; L426-L432 HydrophobicContact CD1-CB 4.43Å; L426-L432 HydrophobicContact CD2-CB 4.3Å; L432-P435 HydrophobicContact CD2-CB 4.31Å; L432-F450 HydrophobicContact CD1-CD2 4.36Å; L432-F450 HydrophobicContact CD1-CE2 3.73Å; L432-F450 HydrophobicContact CD2-CD2 4.45Å; L432-F450 HydrophobicContact CD2-CE2 4.03Å; L432-C453 WeakPolarHBondContact CA-O 3.22Å; L432-L464 HydrophobicContact CB-CD1 4.32Å; L432-L464 HydrophobicContact CD1-CB 4.2Å; L432-L464 HydrophobicContact CD1-CD1 3.94Å; L432-L464 HydrophobicContact CG-CD1 4.27Å; L432-M466 HydrophobicContact CD1-CG 3.73Å; L432-M466 HydrophobicContact CD1-SD 4.11Å
433	E	98.1	Very high	96.6	Very high	14 Å²	14	40.3 Å²	40.3	7%	0.065	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	178	170.1	-103.8	-62.1	-172.6	0	0	110.6	H326 C342 T375 C453 F455	H326-E433 IonicContact CE1-OE2 2.74Å; H326-E433 IonicContact CG-OE2 2.76Å; H326-E433 IonicContact ND1-OE1 3.79Å; H326-E433 IonicContact ND1-OE2 2.66Å; H326-E433 PolarHBondContact ND1-OE2 2.8Å; C342-E433 HydrophobicContact CB-CG 4.44Å; T375-E433 HydrophobicContact CG2-CG 3.83Å; E433-C453 PolarHBondContact N-O 3.27Å; E433-C453 VanDerWaalsContact N-O 3.07Å; E433-C453 PolarHBondContact O-N 3.36Å; E433-F455 HydrophobicContact CB-CD2 3.71Å; E433-F455 HydrophobicContact CB-CE1 4.43Å; E433-F455 HydrophobicContact CB-CE2 3.17Å; E433-F455 HydrophobicContact CB-CZ 3.57Å; E433-F455 HydrophobicContact CG-CE2 4.43Å
434	F	98.3	Very high	96.7	Very high	15 Å²	15	39.8 Å²	39.8	7%	0.066	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.8	54	-171.6	-64.2	-65.9	0	0	0	112.8	G452 C453 F455 E485 H542	F434-G452 WeakPolarHBondContact O-CA 3.35Å; F434-C453 HydrophobicContact CD2-CB 4.31Å; F434-F455 AromaticContact CD2-CE2 3.83Å; F434-F455 HydrophobicContact CD2-CE2 3.83Å; F434-F455 AromaticContact CD2-CZ 3.62Å; F434-F455 HydrophobicContact CD2-CZ 3.62Å; F434-F455 HydrophobicContact CE2-CE2 4.25Å; F434-F455 AromaticContact CE2-CZ 3.56Å; F434-F455 HydrophobicContact CE2-CZ 3.56Å; F434-E485 HydrophobicContact CB-CB 4.01Å; F434-E485 HydrophobicContact CB-CG 4.04Å; F434-E485 HydrophobicContact CD1-CB 4.4Å; F434-E485 HydrophobicContact CG-CB 4.29Å; F434-H542 AromaticContact CD1-CE1 3.45Å; F434-H542 VanDerWaalsContact CD1-CE1 3.45Å; F434-H542 WeakPolarHBondContact CD1-CE1 3.49Å; F434-H542 AromaticContact CD1-ND1 3.91Å; F434-H542 AromaticContact CE1-CE1 3.48Å; F434-H542 VanDerWaalsContact CE1-CE1 3.48Å; F434-H542 WeakPolarHBondContact CE1-CE1 3.28Å; F434-H542 AromaticContact CE1-NE2 3.87Å
435	P	98.5	Very high	96.9	Very high	13 Å²	13	40.5 Å²	40.5	8%	0.084	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	141.3	-176.1	32.1	-36.4	0	0	0	111.9	H326 I328 L432 Y451	H326-P435 VanDerWaalsContact CB-CD 3.44Å; H326-P435 HydrophobicContact CB-CG 3.59Å; I328-P435 HydrophobicContact CB-CB 4.27Å; I328-P435 HydrophobicContact CG1-CB 3.64Å; I328-P435 HydrophobicContact CG1-CG 3.95Å; I328-P435 HydrophobicContact CG2-CB 4.35Å; L432-P435 HydrophobicContact CD2-CB 4.31Å; P435-Y451 CarbonylContact C-O 3.56Å; P435-Y451 VanDerWaalsContact CA-O 3.24Å; P435-Y451 WeakPolarHBondContact CA-O 3.35Å
436	Q	98.4	Very high	97	Very high	45 Å²	45	40.7 Å²	40.7	21%	0.21	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	149.3	176.4	-74.7	-70.1	-19.2	0	0	110	F450 Y451 E485 P486	Q436-F450 CarbonylContact O-C 3.59Å; Q436-F450 WeakPolarHBondContact O-CA 3.3Å; Q436-Y451 PolarHBondContact N-O 2.94Å; Q436-Y451 PolarHBondContact O-N 3.39Å; Q436-E485 HydrophobicContact CG-CG 3.85Å; Q436-E485 VanDerWaalsContact NE2-CD 3.28Å; Q436-E485 PolarHBondContact NE2-OE1 3.49Å; Q436-P486 WeakPolarHBondContact CB-O 3.33Å; Q436-P486 VanDerWaalsContact CG-O 3.24Å; Q436-P486 WeakPolarHBondContact CG-O 3.33Å
437	I	98.6	Very high	97.1	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	20%	0.198	C	C	.	.			trans	-131.8	176.7	176.1	56.3	160.5	0	0	0	109.4	I328 N329 Y439 N443 Y447 F450	I328-I437 HydrophobicContact CG2-CG2 4.14Å; N329-I437 HydrophobicContact CB-CD1 4.2Å; I437-Y439 HydrophobicContact CG1-CD2 4.4Å; I437-Y439 PolarHBondContact O-N 2.95Å; I437-N443 HydrophobicContact CD1-CB 4.36Å; I437-Y447 HydrophobicContact CG2-CD2 4.11Å; I437-Y447 HydrophobicContact CG2-CE2 3.96Å; I437-F450 HydrophobicContact CG2-CB 3.62Å
438	N	98	Very high	97.2	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	21%	0.206	C	C	.	.			trans	-70	72.3	160.4	-174.9	-10.1	0	0	0	110	S440 K441 F442 F488 E497	N438-S440 VanDerWaalsContact C-N 3.3Å; N438-S440 PolarHBondContact O-N 3.16Å; N438-S440 PolarHBondContact OD1-OG 2.76Å; N438-K441 PolarHBondContact O-N 3.32Å; N438-F442 HydrophobicContact CB-CD2 3.79Å; N438-F442 HydrophobicContact CB-CE2 4.44Å; N438-F442 WeakPolarHBondContact O-CB 3.14Å; N438-F442 PolarHBondContact O-N 2.9Å; N438-F488 HydrophobicContact CB-CD1 3.78Å; N438-F488 HydrophobicContact CB-CE1 3.54Å; N438-F488 HydrophobicContact CB-CZ 4.09Å; N438-F488 WeakPolarHBondContact ND2-CE1 3.41Å; N438-E497 PolarHBondContact ND2-O 3.45Å
439	Y	96.9	Very high	97.4	Very high	68 Å²	68	38.7 Å²	38.7	27%	0.267	18%	0.181	S	C	.	.	H	α-helix	trans	-57.5	-42.7	-167.9	-171.6	-83.8	0	0	0	112	H197 Y198 I437 K441 N443	H197-Y439 WeakPolarHBondContact CA-OH 3.48Å; H197-Y439 WeakPolarHBondContact CB-OH 3.28Å; H197-Y439 AromaticContact ND1-CE2 3.81Å; H197-Y439 AromaticContact ND1-CZ 3.85Å; H197-Y439 PolarHBondContact ND1-OH 2.86Å; Y198-Y439 HydrophobicContact CD2-CE1 4.08Å; Y198-Y439 PolarHBondContact N-OH 3.34Å; I437-Y439 HydrophobicContact CG1-CD2 4.4Å; I437-Y439 PolarHBondContact O-N 2.95Å; Y439-K441 PolarHBondContact O-N 3.4Å; Y439-K441 VanDerWaalsContact O-N 3.16Å; Y439-N443 HydrophobicContact CD1-CB 3.97Å; Y439-N443 HydrophobicContact CD2-CB 3.76Å; Y439-N443 HydrophobicContact CE1-CB 3.94Å; Y439-N443 HydrophobicContact CE2-CB 3.77Å; Y439-N443 WeakPolarHBondContact CE2-OD1 3.11Å; Y439-N443 HydrophobicContact CG-CB 3.87Å; Y439-N443 VanDerWaalsContact CZ-ND2 3.31Å; Y439-N443 WeakPolarHBondContact O-CB 3.31Å; Y439-N443 PolarHBondContact O-N 3Å; Y439-N443 PolarHBondContact OH-ND2 3.11Å
440	S	93.5	Very high	97.5	Very high	92 Å²	92	36 Å²	36	64%	0.643	17%	0.171	S	C	*	.	H	α-helix	trans	-57.9	-31.4	-176.9	69.4	0	0	0	0	114.5	N438	N438-S440 VanDerWaalsContact C-N 3.3Å; N438-S440 PolarHBondContact O-N 3.16Å; N438-S440 PolarHBondContact OD1-OG 2.76Å
441	K	95.2	Very high	97.7	Very high	96 Å²	96	36 Å²	36	42%	0.417	17%	0.17	S	C	.	.	H	α-helix	trans	-109.5	-27.1	-177.4	-72.1	-175.3	178.5	179.4	0	113.3	N438 Y439 R445 A494	N438-K441 PolarHBondContact O-N 3.32Å; Y439-K441 PolarHBondContact O-N 3.4Å; Y439-K441 VanDerWaalsContact O-N 3.16Å; K441-R445 WeakPolarHBondContact O-CD 3.38Å; K441-A494 PolarHBondContact NZ-O 3.45Å
442	F	97.4	Very high	97.8	Very high	45 Å²	45	36 Å²	36	20%	0.197	17%	0.17	C	C	.	.	H	α-helix	trans	-122.2	-7.3	-167.1	-67.1	-91	0	0	0	115.4	N329 N438 T444 R445 P446 E497	N329-F442 PolarHBondContact ND2-O 2.66Å; N438-F442 HydrophobicContact CB-CD2 3.79Å; N438-F442 HydrophobicContact CB-CE2 4.44Å; N438-F442 WeakPolarHBondContact O-CB 3.14Å; N438-F442 PolarHBondContact O-N 2.9Å; F442-T444 PolarHBondContact O-N 2.81Å; F442-R445 PolarHBondContact O-N 2.96Å; F442-R445 VanDerWaalsContact O-N 3.07Å; F442-P446 WeakPolarHBondContact CD1-O 3.41Å; F442-E497 HydrophobicContact CD1-CG 4.25Å; F442-E497 HydrophobicContact CD2-CG 3.84Å; F442-E497 HydrophobicContact CE1-CB 4.18Å; F442-E497 HydrophobicContact CE1-CG 3.98Å; F442-E497 HydrophobicContact CE2-CB 3.78Å; F442-E497 HydrophobicContact CE2-CG 3.56Å; F442-E497 HydrophobicContact CG-CG 4.18Å; F442-E497 HydrophobicContact CZ-CB 3.55Å; F442-E497 HydrophobicContact CZ-CG 3.62Å
443	N	97.9	Very high	97.8	Very high	12 Å²	12	36 Å²	36	6%	0.064	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	138	166.6	177.6	57.6	0	0	0	109	H197 Y198 I437 Y439 R445	H197-N443 PolarHBondContact ND1-OD1 3.43Å; Y198-N443 PolarHBondContact O-ND2 3.37Å; I437-N443 HydrophobicContact CD1-CB 4.36Å; Y439-N443 HydrophobicContact CD1-CB 3.97Å; Y439-N443 HydrophobicContact CD2-CB 3.76Å; Y439-N443 HydrophobicContact CE1-CB 3.94Å; Y439-N443 HydrophobicContact CE2-CB 3.77Å; Y439-N443 WeakPolarHBondContact CE2-OD1 3.11Å; Y439-N443 HydrophobicContact CG-CB 3.87Å; Y439-N443 VanDerWaalsContact CZ-ND2 3.31Å; Y439-N443 WeakPolarHBondContact O-CB 3.31Å; Y439-N443 PolarHBondContact O-N 3Å; Y439-N443 PolarHBondContact OH-ND2 3.11Å; N443-R445 PolarHBondContact O-N 3.45Å
444	T	98.1	Very high	97.8	Very high	13 Å²	13	35.3 Å²	35.3	8%	0.08	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	1.2	-175	74.1	0	0	0	0	116.9	M259 N329 A330 F331 F442	M259-T444 HydrophobicContact CE-CG2 3.73Å; M259-T444 HydrophobicContact CG-CG2 4.46Å; N329-T444 PolarHBondContact OD1-N 3.08Å; N329-T444 VanDerWaalsContact OD1-N 3.12Å; A330-T444 CarbonylContact O-C 3.46Å; A330-T444 WeakPolarHBondContact O-CA 3.41Å; F331-T444 WeakPolarHBondContact CB-O 3.43Å; F442-T444 PolarHBondContact O-N 2.81Å
445	R	97.8	Very high	97.8	Very high	140 Å²	140	35.7 Å²	35.7	53%	0.528	17%	0.169	S	C	.	.	S	Bend	trans	-125	157.4	-172.6	-61.9	-174.6	179.3	-153.9	-3.3	112.4	N329 K441 F442 N443 Y447	N329-R445 PolarHBondContact ND2-O 2.89Å; N329-R445 VanDerWaalsContact ND2-O 3.08Å; K441-R445 WeakPolarHBondContact O-CD 3.38Å; F442-R445 PolarHBondContact O-N 2.96Å; F442-R445 VanDerWaalsContact O-N 3.07Å; N443-R445 PolarHBondContact O-N 3.45Å; R445-Y447 PolarHBondContact O-N 2.84Å
446	P	97.8	Very high	97.7	Very high	60 Å²	60	35.6 Å²	35.6	39%	0.39	17%	0.17	S	C	.	.			trans	-53.9	137.2	168.6	-22.8	31.7	0	0	0	111	F331 F442	F331-P446 HydrophobicContact CD2-CB 3.99Å; F331-P446 HydrophobicContact CD2-CG 3.62Å; F331-P446 HydrophobicContact CE2-CB 3.9Å; F331-P446 HydrophobicContact CE2-CG 3.91Å; F331-P446 HydrophobicContact CG-CG 4.35Å; F331-P446 HydrophobicContact CZ-CB 4.44Å; F442-P446 WeakPolarHBondContact CD1-O 3.41Å
447	Y	98.4	Very high	97.5	Very high	20 Å²	20	33.8 Å²	33.8	8%	0.078	16%	0.162	C	C	.	.			trans	-148.2	163.8	-172.3	78.6	-71	0	0	0	110.3	I328 N329 F331 D340 I437 R445 Y449 F450 L468	I328-Y447 HydrophobicContact CG2-CE2 4.36Å; I328-Y447 WeakPolarHBondContact CG2-OH 3.48Å; N329-Y447 HydrophobicContact CB-CD1 4.06Å; N329-Y447 HydrophobicContact CB-CE1 3.6Å; N329-Y447 WeakPolarHBondContact ND2-CD1 3.27Å; F331-Y447 HydrophobicContact CD1-CD1 4.09Å; F331-Y447 HydrophobicContact CD1-CE1 4.25Å; F331-Y447 AromaticContact CE1-CD1 3.87Å; F331-Y447 HydrophobicContact CE1-CD1 3.87Å; F331-Y447 AromaticContact CE1-CE1 3.88Å; F331-Y447 HydrophobicContact CE1-CE1 3.88Å; D340-Y447 WeakPolarHBondContact OD2-CE1 3.49Å; D340-Y447 VanDerWaalsContact OD2-CZ 3.29Å; D340-Y447 PolarHBondContact OD2-OH 2.75Å; I437-Y447 HydrophobicContact CG2-CD2 4.11Å; I437-Y447 HydrophobicContact CG2-CE2 3.96Å; R445-Y447 PolarHBondContact O-N 2.84Å; Y447-Y449 WeakPolarHBondContact CD2-O 3.44Å; Y447-F450 HydrophobicContact CE2-CB 4.06Å; Y447-F450 HydrophobicContact CE2-CD1 4.08Å; Y447-F450 HydrophobicContact CE2-CG 4.48Å; Y447-L468 HydrophobicContact CD2-CD1 4.19Å; Y447-L468 HydrophobicContact CE1-CD1 3.99Å; Y447-L468 HydrophobicContact CE2-CD1 3.6Å; Y447-L468 VanDerWaalsContact CZ-CD1 3.49Å
448	R	98.1	Very high	97.4	Very high	85 Å²	85	33.6 Å²	33.6	32%	0.321	16%	0.16	S	C	.	.	S	Bend	trans	-116	-35.3	-177.5	-177.7	174.6	174.8	-169.3	-8.6	113.4	D467 L468 E497	R448-D467 WeakPolarHBondContact CG-OD1 3.42Å; R448-D467 IonicContact CZ-OD1 2.68Å; R448-D467 IonicContact CZ-OD2 3.17Å; R448-D467 IonicContact NE-OD1 3.62Å; R448-D467 PolarHBondContact NE-OD1 2.96Å; R448-D467 IonicContact NE-OD2 2.67Å; R448-D467 PolarHBondContact NE-OD2 3.27Å; R448-D467 IonicContact NH2-OD1 3.91Å; R448-D467 IonicContact NH2-OD2 3.65Å; R448-D467 PolarHBondContact NH2-OD2 2.82Å; R448-L468 VanDerWaalsContact O-CB 3.28Å; R448-L468 WeakPolarHBondContact O-CB 3.22Å; R448-L468 WeakPolarHBondContact O-CG 3.11Å; R448-L468 PolarHBondContact O-N 3.11Å; R448-E497 WeakPolarHBondContact CB-OE2 3.4Å; R448-E497 VanDerWaalsContact N-CD 3.29Å; R448-E497 PolarHBondContact N-OE1 3.04Å; R448-E497 PolarHBondContact N-OE2 3.1Å
449	Y	98.8	Very high	97.3	Very high	27 Å²	27	33.5 Å²	33.5	11%	0.106	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137	-170.7	-53	-68.3	0	0	0	112.1	Y447 M466 D467 E497 D498	Y447-Y449 WeakPolarHBondContact CD2-O 3.44Å; Y449-M466 WeakPolarHBondContact CA-O 3.11Å; Y449-D467 HydrophobicContact CD1-CB 4.12Å; Y449-D467 HydrophobicContact CE1-CB 3.96Å; Y449-D467 WeakPolarHBondContact CE1-OD2 2.93Å; Y449-E497 HydrophobicContact CD2-CB 4.04Å; Y449-E497 HydrophobicContact CD2-CG 3.98Å; Y449-E497 HydrophobicContact CE2-CB 4.38Å; Y449-E497 PolarHBondContact N-OE1 3.22Å; Y449-D498 HydrophobicContact CD2-CB 3.61Å; Y449-D498 HydrophobicContact CE2-CB 3.83Å; Y449-D498 VanDerWaalsContact CE2-OD2 3.32Å; Y449-D498 WeakPolarHBondContact CE2-OD2 3.34Å; Y449-D498 HydrophobicContact CG-CB 4.24Å
450	F	98.8	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	160.4	163.3	65.4	-78	0	0	0	110.1	I328 P377 L421 L432 Q436 I437 Y447 M466 L468	I328-F450 HydrophobicContact CD1-CD2 4.26Å; I328-F450 HydrophobicContact CD1-CE2 3.93Å; I328-F450 HydrophobicContact CD1-CZ 4.27Å; I328-F450 HydrophobicContact CG2-CB 3.78Å; I328-F450 HydrophobicContact CG2-CD1 4.37Å; I328-F450 HydrophobicContact CG2-CD2 3.98Å; I328-F450 HydrophobicContact CG2-CG 3.81Å; P377-F450 HydrophobicContact CB-CE2 3.96Å; P377-F450 HydrophobicContact CB-CZ 3.76Å; P377-F450 HydrophobicContact CG-CE2 4.29Å; P377-F450 HydrophobicContact CG-CZ 3.97Å; L421-F450 HydrophobicContact CB-CZ 4.45Å; L432-F450 HydrophobicContact CD1-CD2 4.36Å; L432-F450 HydrophobicContact CD1-CE2 3.73Å; L432-F450 HydrophobicContact CD2-CD2 4.45Å; L432-F450 HydrophobicContact CD2-CE2 4.03Å; Q436-F450 CarbonylContact O-C 3.59Å; Q436-F450 WeakPolarHBondContact O-CA 3.3Å; I437-F450 HydrophobicContact CG2-CB 3.62Å; Y447-F450 HydrophobicContact CE2-CB 4.06Å; Y447-F450 HydrophobicContact CE2-CD1 4.08Å; Y447-F450 HydrophobicContact CE2-CG 4.48Å; F450-M466 HydrophobicContact CD1-CB 3.67Å; F450-M466 HydrophobicContact CD1-CG 4.38Å; F450-M466 HydrophobicContact CD2-CB 4.18Å; F450-M466 HydrophobicContact CD2-CG 4.03Å; F450-M466 HydrophobicContact CE1-CB 3.28Å; F450-M466 HydrophobicContact CE1-CG 3.85Å; F450-M466 HydrophobicContact CE2-CB 3.88Å; F450-M466 HydrophobicContact CE2-CG 3.48Å; F450-M466 VanDerWaalsContact CE2-CG 3.48Å; F450-M466 HydrophobicContact CG-CB 4.1Å; F450-M466 HydrophobicContact CG-CG 4.45Å; F450-M466 HydrophobicContact CZ-CB 3.41Å; F450-M466 VanDerWaalsContact CZ-CB 3.41Å; F450-M466 HydrophobicContact CZ-CG 3.38Å; F450-M466 PolarHBondContact N-O 3.25Å; F450-M466 PolarHBondContact O-N 3.5Å; F450-L468 HydrophobicContact CD1-CD1 4.44Å; F450-L468 HydrophobicContact CD1-CD2 4.26Å; F450-L468 HydrophobicContact CD1-CG 4.2Å; F450-L468 HydrophobicContact CE1-CD2 3.64Å; F450-L468 HydrophobicContact CE1-CG 4.06Å
451	Y	98.8	Very high	97.5	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.008	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.6	-177.9	-48.7	-87.2	0	0	0	108.7	P435 Q436 L464 K465 F488 D498 I502 A522 F525	P435-Y451 CarbonylContact C-O 3.56Å; P435-Y451 VanDerWaalsContact CA-O 3.24Å; P435-Y451 WeakPolarHBondContact CA-O 3.35Å; Q436-Y451 PolarHBondContact N-O 2.94Å; Q436-Y451 PolarHBondContact O-N 3.39Å; Y451-L464 CarbonylContact C-O 3.49Å; Y451-L464 WeakPolarHBondContact CA-O 3.32Å; Y451-K465 HydrophobicContact CD1-CB 3.83Å; Y451-K465 HydrophobicContact CD1-CG 3.94Å; Y451-K465 HydrophobicContact CE1-CB 3.98Å; Y451-K465 HydrophobicContact CE1-CD 3.84Å; Y451-K465 HydrophobicContact CE1-CG 3.63Å; Y451-F488 HydrophobicContact CD2-CB 4.41Å; Y451-F488 HydrophobicContact CD2-CD2 4.45Å; Y451-F488 HydrophobicContact CE2-CB 4.32Å; Y451-F488 AromaticContact CE2-CD2 3.62Å; Y451-F488 HydrophobicContact CE2-CD2 3.62Å; Y451-F488 HydrophobicContact CE2-CE2 4.31Å; Y451-F488 HydrophobicContact CE2-CG 4.22Å; Y451-F488 AromaticContact CZ-CD2 3.88Å; Y451-D498 WeakPolarHBondContact OH-CB 3.29Å; Y451-I502 HydrophobicContact CD1-CD1 3.59Å; Y451-I502 HydrophobicContact CD1-CG1 3.91Å; Y451-I502 HydrophobicContact CD2-CD1 3.79Å; Y451-I502 HydrophobicContact CE1-CD1 3.71Å; Y451-I502 HydrophobicContact CE1-CG1 4Å; Y451-I502 HydrophobicContact CE2-CD1 3.93Å; Y451-I502 HydrophobicContact CG-CD1 3.63Å; Y451-I502 HydrophobicContact CG-CG1 4.38Å; Y451-A522 HydrophobicContact CE1-CB 4.35Å; Y451-F525 HydrophobicContact CD1-CE2 4.07Å
452	G	98.6	Very high	97.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	177.1	174.7	0	0	0	0	0	112.2	F434 L464	F434-G452 WeakPolarHBondContact O-CA 3.35Å; G452-L464 PolarHBondContact N-O 2.88Å; G452-L464 PolarHBondContact O-N 3.31Å
453	C	98.8	Very high	97.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.1	169.1	-68.7	0	0	0	0	109.4	L432 E433 F434 F455 S462	L432-C453 WeakPolarHBondContact CA-O 3.22Å; E433-C453 PolarHBondContact N-O 3.27Å; E433-C453 VanDerWaalsContact N-O 3.07Å; E433-C453 PolarHBondContact O-N 3.36Å; F434-C453 HydrophobicContact CD2-CB 4.31Å; C453-F455 HydrophobicContact CB-CD2 4.16Å; C453-F455 HydrophobicContact CB-CE2 3.72Å; C453-F455 WeakPolarHBondContact O-CD2 3.48Å; C453-S462 CarbonylContact C-O 3.45Å; C453-S462 VanDerWaalsContact CA-O 3.25Å; C453-S462 WeakPolarHBondContact CA-O 3.23Å
454	G	98.3	Very high	97.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	146.2	159.6	0	0	0	0	0	110	Y429 G431 G460 D461 S462	Y429-G454 CarbonylContact O-C 3.51Å; G431-G454 WeakPolarHBondContact O-CA 3.46Å; G454-G460 WeakPolarHBondContact O-CA 3.3Å; G454-D461 PolarHBondContact O-N 2.91Å; G454-D461 VanDerWaalsContact O-N 3.07Å; G454-S462 VanDerWaalsContact CA-OG 3.29Å; G454-S462 WeakPolarHBondContact CA-OG 3.26Å; G454-S462 PolarHBondContact N-O 3.43Å
455	F	96.6	Very high	97.9	Very high	24 Å²	24	19.6 Å²	19.6	11%	0.105	9%	0.089	C	C	.	.			trans	-116.7	53.9	-177.5	-85.2	-110.3	0	0	0	110.4	Y369 Y429 G430 E433 F434 C453 H457	Y369-F455 VanDerWaalsContact CE2-O 3.3Å; Y369-F455 WeakPolarHBondContact CE2-O 3.41Å; Y369-F455 PolarHBondContact OH-O 3.2Å; Y429-F455 CarbonylContact O-C 3.57Å; Y429-F455 PolarHBondContact O-N 2.79Å; G430-F455 WeakPolarHBondContact CA-O 3.48Å; E433-F455 HydrophobicContact CB-CD2 3.71Å; E433-F455 HydrophobicContact CB-CE1 4.43Å; E433-F455 HydrophobicContact CB-CE2 3.17Å; E433-F455 HydrophobicContact CB-CZ 3.57Å; E433-F455 HydrophobicContact CG-CE2 4.43Å; F434-F455 AromaticContact CD2-CE2 3.83Å; F434-F455 HydrophobicContact CD2-CE2 3.83Å; F434-F455 AromaticContact CD2-CZ 3.62Å; F434-F455 HydrophobicContact CD2-CZ 3.62Å; F434-F455 HydrophobicContact CE2-CE2 4.25Å; F434-F455 AromaticContact CE2-CZ 3.56Å; F434-F455 HydrophobicContact CE2-CZ 3.56Å; C453-F455 HydrophobicContact CB-CD2 4.16Å; C453-F455 HydrophobicContact CB-CE2 3.72Å; C453-F455 WeakPolarHBondContact O-CD2 3.48Å; F455-H457 PolarHBondContact O-N 3.38Å; F455-H457 VanDerWaalsContact O-N 3.16Å
456	G	96.1	Very high	97.9	Very high	11 Å²	11	12.9 Å²	12.9	11%	0.113	6%	0.064	C	C	.	.	S	Bend	trans	-65.6	-4.2	166.3	0	0	0	0	0	113.2	Y369 Y429 D461	Y369-G456 VanDerWaalsContact CE2-C 3.49Å; Y369-G456 WeakPolarHBondContact CE2-O 3.48Å; Y369-G456 WeakPolarHBondContact OH-CA 3.22Å; Y429-G456 PolarHBondContact O-N 2.95Å; Y429-G456 VanDerWaalsContact O-N 3.12Å; G456-D461 WeakPolarHBondContact CA-OD2 3.34Å; G456-D461 PolarHBondContact N-OD1 3.32Å
457	H	96.1	Very high	97.9	Very high	7 Å²	7	11 Å²	11	3%	0.032	5%	0.05	C	C	.	.	S	Bend	trans	-136.3	-174.3	174.7	-153.1	-66.5	0	0	0	110.7	E25 I27 Y369 F455 V459 D461 Y482	E25-H457 PolarHBondContact O-NE2 3.44Å; I27-H457 WeakPolarHBondContact CG2-CE1 3.48Å; Y369-H457 WeakPolarHBondContact CE2-O 3.45Å; F455-H457 PolarHBondContact O-N 3.38Å; F455-H457 VanDerWaalsContact O-N 3.16Å; H457-V459 CarbonylContact C-O 3.5Å; H457-V459 PolarHBondContact O-N 3.31Å; H457-D461 HydrophobicContact CB-CB 4.18Å; H457-Y482 HydrophobicContact CB-CE1 4.34Å; H457-Y482 AromaticContact CD2-CE1 3.76Å
458	M	95.6	Very high	97.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-68.9	-21.4	173.5	-63.6	-57.6	-61.4	0	0	113.1	I27 N352 Y353 L358 L365 L368 Y369	I27-M458 HydrophobicContact CD1-CB 4.05Å; N352-M458 HydrophobicContact CB-CE 4.17Å; Y353-M458 WeakPolarHBondContact CE1-O 3.41Å; Y353-M458 PolarHBondContact OH-O 3.49Å; L358-M458 HydrophobicContact CD2-CB 3.88Å; L358-M458 HydrophobicContact CD2-CE 4.4Å; L358-M458 HydrophobicContact CD2-CG 4.5Å; L365-M458 HydrophobicContact CD1-CG 4.09Å; L368-M458 HydrophobicContact CD2-CE 4.04Å; L368-M458 HydrophobicContact CD2-CG 4.41Å; L368-M458 HydrophobicContact CD2-SD 4.13Å; L368-M458 HydrophobicContact CG-CE 4.2Å; L368-M458 HydrophobicContact CG-SD 4.08Å; Y369-M458 HydrophobicContact CD2-SD 4.32Å
459	V	96.3	Very high	97.7	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.012	7%	0.071	C	C	.	.	S	Bend	trans	-120.4	177.1	171.1	-61.9	0	0	0	0	109.5	I27 W75 H457 D461 Y482 Y539	I27-V459 HydrophobicContact CD1-CG1 3.9Å; I27-V459 HydrophobicContact CD1-CG2 3.99Å; I27-V459 HydrophobicContact CG2-CG2 4.35Å; W75-V459 HydrophobicContact CH2-CG1 4.25Å; H457-V459 CarbonylContact C-O 3.5Å; H457-V459 PolarHBondContact O-N 3.31Å; V459-D461 PolarHBondContact O-N 3.17Å; V459-Y482 HydrophobicContact CG2-CD1 3.83Å; V459-Y482 HydrophobicContact CG2-CG 4.49Å; V459-Y539 HydrophobicContact CB-CD1 4.45Å; V459-Y539 HydrophobicContact CB-CD2 4.14Å; V459-Y539 HydrophobicContact CB-CE1 4.11Å; V459-Y539 HydrophobicContact CB-CE2 3.79Å; V459-Y539 HydrophobicContact CB-CG 4.46Å; V459-Y539 HydrophobicContact CG1-CD1 4.34Å; V459-Y539 HydrophobicContact CG1-CD2 4.47Å; V459-Y539 HydrophobicContact CG1-CE1 4.41Å; V459-Y539 HydrophobicContact CG1-CG 4.37Å; V459-Y539 HydrophobicContact CG2-CD2 4Å; V459-Y539 HydrophobicContact CG2-CE2 3.77Å
460	G	97.4	Very high	97.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.09	C	C	.	.			trans	-61.3	127.5	175.3	0	0	0	0	0	111.7	G454 Y482 Y539	G454-G460 WeakPolarHBondContact O-CA 3.3Å; G460-Y482 WeakPolarHBondContact O-CA 3.45Å; G460-Y482 WeakPolarHBondContact O-CB 3.29Å; G460-Y539 VanDerWaalsContact CA-OH 3.28Å; G460-Y539 WeakPolarHBondContact CA-OH 3.44Å; G460-Y539 PolarHBondContact N-OH 3.36Å
461	D	97.8	Very high	97.4	Very high	25 Å²	25	20.8 Å²	20.8	13%	0.134	10%	0.102	C	C	.	.			trans	-116.7	-13.8	178.8	76.1	-32.1	0	0	0	112.8	G454 G456 H457 V459 H477 Y482 P483	G454-D461 PolarHBondContact O-N 2.91Å; G454-D461 VanDerWaalsContact O-N 3.07Å; G456-D461 WeakPolarHBondContact CA-OD2 3.34Å; G456-D461 PolarHBondContact N-OD1 3.32Å; H457-D461 HydrophobicContact CB-CB 4.18Å; V459-D461 PolarHBondContact O-N 3.17Å; D461-H477 PolarHBondContact O-CD2 3.06Å; D461-Y482 HydrophobicContact CB-CD1 4.41Å; D461-P483 VanDerWaalsContact C-CD 3.44Å
462	S	98.6	Very high	97.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	158	-179.1	49.9	0	0	0	0	110.4	C453 G454 W476	C453-S462 CarbonylContact C-O 3.45Å; C453-S462 VanDerWaalsContact CA-O 3.25Å; C453-S462 WeakPolarHBondContact CA-O 3.23Å; G454-S462 VanDerWaalsContact CA-OG 3.29Å; G454-S462 WeakPolarHBondContact CA-OG 3.26Å; G454-S462 PolarHBondContact N-O 3.43Å; S462-W476 WeakPolarHBondContact CA-O 3.34Å
463	L	98.9	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	142.2	167.3	-61.7	177	0	0	0	108.5	V475 W476 P483 P486 L518 L520 F525	L463-V475 WeakPolarHBondContact O-CA 3.5Å; L463-W476 HydrophobicContact CB-CB 4.3Å; L463-W476 HydrophobicContact CD1-CE3 4.24Å; L463-W476 HydrophobicContact CG-CE3 4.21Å; L463-W476 PolarHBondContact N-O 3.47Å; L463-W476 PolarHBondContact O-N 3.35Å; L463-P483 HydrophobicContact CD1-CB 4.12Å; L463-P483 HydrophobicContact CD2-CB 3.63Å; L463-P483 HydrophobicContact CD2-CG 3.86Å; L463-P483 HydrophobicContact CG-CB 3.64Å; L463-P483 HydrophobicContact CG-CG 3.8Å; L463-P486 HydrophobicContact CD2-CB 3.91Å; L463-P486 HydrophobicContact CD2-CG 4.08Å; L463-L518 HydrophobicContact CD1-CD2 3.89Å; L463-L520 HydrophobicContact CD1-CD1 3.92Å; L463-F525 HydrophobicContact CB-CE1 4.13Å; L463-F525 HydrophobicContact CB-CZ 3.72Å; L463-F525 VanDerWaalsContact O-CE1 3.3Å; L463-F525 WeakPolarHBondContact O-CE1 3.32Å
464	L	98.8	Very high	97.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.1	-176.5	-55.3	175.7	0	0	0	109.4	L426 Y429 L432 Y451 G452 L473 K474 V475	L426-L464 HydrophobicContact CD1-CD1 3.48Å; L426-L464 VanDerWaalsContact CD1-CD1 3.48Å; Y429-L464 HydrophobicContact CD1-CD2 4.49Å; Y429-L464 HydrophobicContact CD2-CD2 4.28Å; Y429-L464 HydrophobicContact CG-CD2 4.05Å; L432-L464 HydrophobicContact CB-CD1 4.32Å; L432-L464 HydrophobicContact CD1-CB 4.2Å; L432-L464 HydrophobicContact CD1-CD1 3.94Å; L432-L464 HydrophobicContact CG-CD1 4.27Å; Y451-L464 CarbonylContact C-O 3.49Å; Y451-L464 WeakPolarHBondContact CA-O 3.32Å; G452-L464 PolarHBondContact N-O 2.88Å; G452-L464 PolarHBondContact O-N 3.31Å; L464-L473 HydrophobicContact CD2-CD1 4.39Å; L464-K474 WeakPolarHBondContact CA-O 3.35Å; L464-V475 HydrophobicContact CD2-CB 4.29Å; L464-V475 HydrophobicContact CD2-CG1 3.97Å; L464-V475 HydrophobicContact CD2-CG2 3.68Å
465	K	98.8	Very high	97.2	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.035	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.7	162	173.3	-175.7	-178.2	172.4	0	108	Y451 L473 K474 D498 A522 K523 F525	Y451-K465 HydrophobicContact CD1-CB 3.83Å; Y451-K465 HydrophobicContact CD1-CG 3.94Å; Y451-K465 HydrophobicContact CE1-CB 3.98Å; Y451-K465 HydrophobicContact CE1-CD 3.84Å; Y451-K465 HydrophobicContact CE1-CG 3.63Å; K465-L473 CarbonylContact O-C 3.53Å; K465-L473 WeakPolarHBondContact O-CA 3.39Å; K465-L473 WeakPolarHBondContact O-CB 3.37Å; K465-K474 HydrophobicContact CB-CB 4.32Å; K465-K474 HydrophobicContact CD-CD 4.49Å; K465-K474 PolarHBondContact N-O 3.13Å; K465-K474 PolarHBondContact O-N 2.95Å; K465-D498 IonicContact NZ-OD2 2.73Å; K465-D498 PolarHBondContact NZ-OD2 2.83Å; K465-A522 VanDerWaalsContact CD-O 3.3Å; K465-A522 WeakPolarHBondContact CD-O 3.31Å; K465-A522 WeakPolarHBondContact CE-O 3.43Å; K465-A522 PolarHBondContact NZ-O 2.98Å; K465-K523 VanDerWaalsContact NZ-CA 3.34Å; K465-K523 PolarHBondContact NZ-O 3.09Å; K465-F525 HydrophobicContact CB-CD1 4.44Å; K465-F525 HydrophobicContact CB-CD2 3.78Å; K465-F525 HydrophobicContact CB-CE1 4.44Å; K465-F525 HydrophobicContact CB-CE2 3.82Å; K465-F525 HydrophobicContact CB-CG 4.1Å; K465-F525 HydrophobicContact CB-CZ 4.14Å; K465-F525 HydrophobicContact CD-CD2 4.43Å
466	M	98.6	Very high	97.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.3	-179.9	-57.3	-61.7	-59.4	0	0	110.1	H422 L426 L432 Y449 F450 L473	H422-M466 HydrophobicContact CB-CE 3.68Å; L426-M466 HydrophobicContact CD2-CE 4.46Å; L432-M466 HydrophobicContact CD1-CG 3.73Å; L432-M466 HydrophobicContact CD1-SD 4.11Å; Y449-M466 WeakPolarHBondContact CA-O 3.11Å; F450-M466 HydrophobicContact CD1-CB 3.67Å; F450-M466 HydrophobicContact CD1-CG 4.38Å; F450-M466 HydrophobicContact CD2-CB 4.18Å; F450-M466 HydrophobicContact CD2-CG 4.03Å; F450-M466 HydrophobicContact CE1-CB 3.28Å; F450-M466 HydrophobicContact CE1-CG 3.85Å; F450-M466 HydrophobicContact CE2-CB 3.88Å; F450-M466 HydrophobicContact CE2-CG 3.48Å; F450-M466 VanDerWaalsContact CE2-CG 3.48Å; F450-M466 HydrophobicContact CG-CB 4.1Å; F450-M466 HydrophobicContact CG-CG 4.45Å; F450-M466 HydrophobicContact CZ-CB 3.41Å; F450-M466 VanDerWaalsContact CZ-CB 3.41Å; F450-M466 HydrophobicContact CZ-CG 3.38Å; F450-M466 PolarHBondContact N-O 3.25Å; F450-M466 PolarHBondContact O-N 3.5Å; M466-L473 HydrophobicContact CE-CB 4.09Å; M466-L473 HydrophobicContact CE-CD2 4.4Å; M466-L473 HydrophobicContact SD-CB 3.47Å; M466-L473 WeakPolarHBondContact SD-CB 3.46Å; M466-L473 HydrophobicContact SD-CD2 4.21Å; M466-L473 HydrophobicContact SD-CG 4.47Å
467	D	98.3	Very high	97.4	Very high	20 Å²	20	35.5 Å²	35.5	11%	0.107	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	111	171.3	-172.9	-16.8	0	0	0	110	R448 Y449 K469 K471 T472	R448-D467 WeakPolarHBondContact CG-OD1 3.42Å; R448-D467 IonicContact CZ-OD1 2.68Å; R448-D467 IonicContact CZ-OD2 3.17Å; R448-D467 IonicContact NE-OD1 3.62Å; R448-D467 PolarHBondContact NE-OD1 2.96Å; R448-D467 IonicContact NE-OD2 2.67Å; R448-D467 PolarHBondContact NE-OD2 3.27Å; R448-D467 IonicContact NH2-OD1 3.91Å; R448-D467 IonicContact NH2-OD2 3.65Å; R448-D467 PolarHBondContact NH2-OD2 2.82Å; Y449-D467 HydrophobicContact CD1-CB 4.12Å; Y449-D467 HydrophobicContact CE1-CB 3.96Å; Y449-D467 WeakPolarHBondContact CE1-OD2 2.93Å; D467-K469 PolarHBondContact O-N 3.28Å; D467-K469 WeakPolarHBondContact OD1-CB 3.45Å; D467-K469 PolarHBondContact OD1-N 2.8Å; D467-K471 WeakPolarHBondContact O-CA 3.43Å; D467-K471 PolarHBondContact O-N 3.18Å; D467-T472 PolarHBondContact N-O 3.02Å; D467-T472 PolarHBondContact O-N 2.94Å
468	L	97.3	Very high	97.4	Very high	25 Å²	25	39 Å²	39	13%	0.131	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-15	-177.9	-69.7	178.6	0	0	0	114.3	L421 Y447 R448 F450	L421-L468 HydrophobicContact CB-CD2 3.84Å; L421-L468 HydrophobicContact CD1-CD2 4.2Å; L421-L468 HydrophobicContact CD2-CD2 3.74Å; L421-L468 HydrophobicContact CG-CD2 4.13Å; Y447-L468 HydrophobicContact CD2-CD1 4.19Å; Y447-L468 HydrophobicContact CE1-CD1 3.99Å; Y447-L468 HydrophobicContact CE2-CD1 3.6Å; Y447-L468 VanDerWaalsContact CZ-CD1 3.49Å; R448-L468 VanDerWaalsContact O-CB 3.28Å; R448-L468 WeakPolarHBondContact O-CB 3.22Å; R448-L468 WeakPolarHBondContact O-CG 3.11Å; R448-L468 PolarHBondContact O-N 3.11Å; F450-L468 HydrophobicContact CD1-CD1 4.44Å; F450-L468 HydrophobicContact CD1-CD2 4.26Å; F450-L468 HydrophobicContact CD1-CG 4.2Å; F450-L468 HydrophobicContact CE1-CD2 3.64Å; F450-L468 HydrophobicContact CE1-CG 4.06Å
469	K	95.2	Very high	97.3	Very high	161 Å²	161	47.3 Å²	47.3	70%	0.7	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-44.3	-179	-176.6	-177	176	-174.3	0	111.5	D467	D467-K469 PolarHBondContact O-N 3.28Å; D467-K469 WeakPolarHBondContact OD1-CB 3.45Å; D467-K469 PolarHBondContact OD1-N 2.8Å
470	D	93.4	Very high	97.3	Very high	96 Å²	96	47.5 Å²	47.5	51%	0.513	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	2.3	-178	56	16.1	0	0	0	113.4	T472	D470-T472 HydrophobicContact CB-CG2 4.26Å; D470-T472 VanDerWaalsContact CG-CG2 3.5Å; D470-T472 PolarHBondContact O-N 2.65Å; D470-T472 WeakPolarHBondContact OD1-CB 3.44Å; D470-T472 VanDerWaalsContact OD1-CG2 3.28Å; D470-T472 WeakPolarHBondContact OD1-CG2 3.41Å; D470-T472 PolarHBondContact OD1-N 3.25Å; D470-T472 PolarHBondContact OD1-OG1 3.08Å
471	K	96.2	Very high	97.3	Very high	56 Å²	56	48.2 Å²	48.2	24%	0.243	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	28.3	-179.7	-51.7	-177.2	-177.5	-169.7	0	112.8	E419 N420 G423 D467	E419-K471 IonicContact OE2-NZ 2.66Å; E419-K471 PolarHBondContact OE2-NZ 3.36Å; E419-K471 VanDerWaalsContact OE2-NZ 3.12Å; N420-K471 WeakPolarHBondContact O-CE 3.46Å; N420-K471 PolarHBondContact O-NZ 3.31Å; G423-K471 PolarHBondContact N-O 3.22Å; G423-K471 VanDerWaalsContact N-O 3.09Å; D467-K471 WeakPolarHBondContact O-CA 3.43Å; D467-K471 PolarHBondContact O-N 3.18Å
472	T	97	Very high	97.3	Very high	63 Å²	63	47.5 Å²	47.5	39%	0.387	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	163	173.4	62.7	0	0	0	0	111.5	D467 D470	D467-T472 PolarHBondContact N-O 3.02Å; D467-T472 PolarHBondContact O-N 2.94Å; D470-T472 HydrophobicContact CB-CG2 4.26Å; D470-T472 VanDerWaalsContact CG-CG2 3.5Å; D470-T472 PolarHBondContact O-N 2.65Å; D470-T472 WeakPolarHBondContact OD1-CB 3.44Å; D470-T472 VanDerWaalsContact OD1-CG2 3.28Å; D470-T472 WeakPolarHBondContact OD1-CG2 3.41Å; D470-T472 PolarHBondContact OD1-N 3.25Å; D470-T472 PolarHBondContact OD1-OG1 3.08Å
473	L	97.4	Very high	97.3	Very high	26 Å²	26	47.5 Å²	47.5	14%	0.136	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.6	178.6	67.5	91.6	0	0	0	113	D425 L426 Y429 L464 K465 M466 V475	D425-L473 HydrophobicContact CB-CD2 4.11Å; D425-L473 WeakPolarHBondContact OD1-CD2 3.47Å; D425-L473 WeakPolarHBondContact OD2-CD2 3.42Å; D425-L473 WeakPolarHBondContact OD2-CG 3.41Å; L426-L473 HydrophobicContact CB-CD2 3.91Å; L426-L473 HydrophobicContact CD1-CD2 4.22Å; Y429-L473 HydrophobicContact CD2-CD1 4.3Å; Y429-L473 HydrophobicContact CE2-CD1 4.01Å; L464-L473 HydrophobicContact CD2-CD1 4.39Å; K465-L473 CarbonylContact O-C 3.53Å; K465-L473 WeakPolarHBondContact O-CA 3.39Å; K465-L473 WeakPolarHBondContact O-CB 3.37Å; M466-L473 HydrophobicContact CE-CB 4.09Å; M466-L473 HydrophobicContact CE-CD2 4.4Å; M466-L473 HydrophobicContact SD-CB 3.47Å; M466-L473 WeakPolarHBondContact SD-CB 3.46Å; M466-L473 HydrophobicContact SD-CD2 4.21Å; M466-L473 HydrophobicContact SD-CG 4.47Å; L473-V475 HydrophobicContact CD1-CG2 3.07Å
474	K	98.6	Very high	97.3	Very high	92 Å²	92	47.6 Å²	47.6	40%	0.4	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148.2	166	-59.9	-173.8	176	-174.4	0	109.5	L464 K465 K523 T524 F525	L464-K474 WeakPolarHBondContact CA-O 3.35Å; K465-K474 HydrophobicContact CB-CB 4.32Å; K465-K474 HydrophobicContact CD-CD 4.49Å; K465-K474 PolarHBondContact N-O 3.13Å; K465-K474 PolarHBondContact O-N 2.95Å; K474-K523 PolarHBondContact NZ-O 2.88Å; K474-T524 VanDerWaalsContact CD-O 3.25Å; K474-T524 WeakPolarHBondContact CD-O 3.39Å; K474-T524 PolarHBondContact NZ-O 3.16Å; K474-F525 HydrophobicContact CB-CB 3.86Å; K474-F525 HydrophobicContact CB-CD1 3.95Å; K474-F525 HydrophobicContact CB-CG 4.15Å; K474-F525 HydrophobicContact CD-CB 3.86Å
475	V	98.7	Very high	97.2	Very high	42 Å²	42	47.9 Å²	47.9	26%	0.255	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.7	-171.4	-171.5	0	0	0	0	111.4	Y429 L463 L464 L473 H477	Y429-V475 HydrophobicContact CD1-CG1 4.07Å; Y429-V475 HydrophobicContact CD2-CG2 4.24Å; Y429-V475 HydrophobicContact CE1-CB 4.33Å; Y429-V475 HydrophobicContact CE1-CG1 3.61Å; Y429-V475 HydrophobicContact CE1-CG2 4.09Å; Y429-V475 HydrophobicContact CE2-CG2 3.66Å; L463-V475 WeakPolarHBondContact O-CA 3.5Å; L464-V475 HydrophobicContact CD2-CB 4.29Å; L464-V475 HydrophobicContact CD2-CG1 3.97Å; L464-V475 HydrophobicContact CD2-CG2 3.68Å; L473-V475 HydrophobicContact CD1-CG2 3.07Å; V475-H477 HydrophobicContact CG1-CB 3.84Å
476	W	98.8	Very high	97.2	Very high	24 Å²	24	47.5 Å²	47.5	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.5	157.9	179.9	96.9	0	0	0	107.3	S462 L463 Q478 F481 P483 V506 F516 L518 L520 F525	S462-W476 WeakPolarHBondContact CA-O 3.34Å; L463-W476 HydrophobicContact CB-CB 4.3Å; L463-W476 HydrophobicContact CD1-CE3 4.24Å; L463-W476 HydrophobicContact CG-CE3 4.21Å; L463-W476 PolarHBondContact N-O 3.47Å; L463-W476 PolarHBondContact O-N 3.35Å; W476-Q478 HydrophobicContact CH2-CB 4.45Å; W476-Q478 HydrophobicContact CZ2-CB 4.48Å; W476-F481 HydrophobicContact CH2-CB 4.37Å; W476-P483 HydrophobicContact CE3-CG 4.46Å; W476-P483 HydrophobicContact CZ3-CB 4.05Å; W476-P483 HydrophobicContact CZ3-CG 4.09Å; W476-V506 HydrophobicContact CH2-CB 4.44Å; W476-V506 HydrophobicContact CH2-CG1 3.78Å; W476-V506 HydrophobicContact CH2-CG2 3.8Å; W476-V506 HydrophobicContact CZ3-CG1 4.34Å; W476-V506 HydrophobicContact CZ3-CG2 4.13Å; W476-F516 HydrophobicContact CH2-CZ 4.37Å; W476-F516 HydrophobicContact CZ2-CE2 4.45Å; W476-F516 HydrophobicContact CZ2-CZ 4.3Å; W476-L518 HydrophobicContact CD2-CD2 3.59Å; W476-L518 VanDerWaalsContact CE2-CD2 3.44Å; W476-L518 HydrophobicContact CE3-CD2 3.89Å; W476-L518 HydrophobicContact CG-CD2 4.16Å; W476-L518 HydrophobicContact CH2-CD2 4.03Å; W476-L518 HydrophobicContact CZ2-CD1 4.31Å; W476-L518 HydrophobicContact CZ2-CD2 3.69Å; W476-L518 HydrophobicContact CZ3-CD2 4.11Å; W476-L520 HydrophobicContact CB-CD1 3.78Å; W476-L520 HydrophobicContact CG-CD1 4.07Å; W476-L520 HydrophobicContact CG-CD2 4.18Å; W476-F525 HydrophobicContact CB-CD1 4.31Å; W476-F525 HydrophobicContact CB-CE1 4Å
477	H	98	Very high	97.2	Very high	98 Å²	98	47.9 Å²	47.9	45%	0.454	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	134.5	-178.9	167.4	-103.1	0	0	0	109.3	D461 V475	D461-H477 PolarHBondContact O-CD2 3.06Å; V475-H477 HydrophobicContact CG1-CB 3.84Å
478	Q	96.2	Very high	97.3	Very high	80 Å²	80	47.9 Å²	47.9	37%	0.374	23%	0.228	S	C	.	.			trans	-141	126.9	173.9	-167.6	-179.3	-1.6	0	0	109.3	W476 G480 F481	W476-Q478 HydrophobicContact CH2-CB 4.45Å; W476-Q478 HydrophobicContact CZ2-CB 4.48Å; Q478-G480 PolarHBondContact O-N 3.43Å; Q478-F481 HydrophobicContact CB-CB 4.41Å; Q478-F481 HydrophobicContact CB-CD2 3.8Å; Q478-F481 VanDerWaalsContact CD-CD2 3.44Å; Q478-F481 HydrophobicContact CG-CD2 3.58Å; Q478-F481 HydrophobicContact CG-CE2 3.96Å; Q478-F481 WeakPolarHBondContact O-CB 3.02Å; Q478-F481 PolarHBondContact O-N 3.19Å; Q478-F481 VanDerWaalsContact O-N 3.09Å
479	K	94	Very high	97.3	Very high	175 Å²	175	47 Å²	47	76%	0.761	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	130.3	-176	-174.9	177.6	179.8	177.8	0	112	F481 K513	K479-F481 VanDerWaalsContact C-N 3.32Å; K479-K513 PolarHBondContact O-NZ 3.33Å
480	G	95.1	Very high	97.4	Very high	7 Å²	7	41.5 Å²	41.5	7%	0.072	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	19.7	179.9	0	0	0	0	0	114	E25 Q478	E25-G480 VanDerWaalsContact OE2-CA 3.25Å; E25-G480 WeakPolarHBondContact OE2-CA 3.16Å; Q478-G480 PolarHBondContact O-N 3.43Å
481	F	97.4	Very high	97.5	Very high	15 Å²	15	38.5 Å²	38.5	7%	0.066	19%	0.191	C	C	.	.			trans	-121.9	140	169.7	-72.5	-73.9	0	0	0	109.6	W476 Q478 K479 V506 L507 T508 K513 F516	W476-F481 HydrophobicContact CH2-CB 4.37Å; Q478-F481 HydrophobicContact CB-CB 4.41Å; Q478-F481 HydrophobicContact CB-CD2 3.8Å; Q478-F481 VanDerWaalsContact CD-CD2 3.44Å; Q478-F481 HydrophobicContact CG-CD2 3.58Å; Q478-F481 HydrophobicContact CG-CE2 3.96Å; Q478-F481 WeakPolarHBondContact O-CB 3.02Å; Q478-F481 PolarHBondContact O-N 3.19Å; Q478-F481 VanDerWaalsContact O-N 3.09Å; K479-F481 VanDerWaalsContact C-N 3.32Å; F481-V506 HydrophobicContact CB-CG1 3.56Å; F481-V506 HydrophobicContact CD1-CG1 3.69Å; F481-V506 HydrophobicContact CG-CG1 3.97Å; F481-L507 CarbonylContact C-O 3.51Å; F481-L507 WeakPolarHBondContact CA-O 3.36Å; F481-T508 HydrophobicContact CE1-CG2 4.4Å; F481-K513 HydrophobicContact CE1-CB 4.09Å; F481-K513 HydrophobicContact CE1-CD 4.07Å; F481-K513 HydrophobicContact CE1-CG 4.45Å; F481-K513 HydrophobicContact CE2-CD 3.92Å; F481-K513 HydrophobicContact CZ-CB 4.08Å; F481-K513 HydrophobicContact CZ-CD 3.61Å; F481-K513 HydrophobicContact CZ-CG 3.98Å; F481-F516 AromaticContact CD1-CE1 3.82Å; F481-F516 HydrophobicContact CD1-CE1 3.82Å; F481-F516 HydrophobicContact CD1-CZ 4.29Å; F481-F516 HydrophobicContact CE1-CD1 4.44Å; F481-F516 AromaticContact CE1-CE1 3.55Å; F481-F516 HydrophobicContact CE1-CE1 3.55Å; F481-F516 HydrophobicContact CE1-CZ 4.36Å; F481-F516 HydrophobicContact CZ-CE1 4.18Å
482	Y	98.2	Very high	97.3	Very high	10 Å²	10	40.1 Å²	40.1	4%	0.039	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	94.8	-170.3	-61	-92.2	0	0	0	108.2	E25 I27 L30 H457 V459 G460 D461 L507 P509	E25-Y482 WeakPolarHBondContact CB-OH 3.23Å; E25-Y482 WeakPolarHBondContact OE2-CE2 3.44Å; E25-Y482 PolarHBondContact OE2-OH 3.49Å; I27-Y482 HydrophobicContact CG2-CD1 4.06Å; I27-Y482 HydrophobicContact CG2-CE1 3.52Å; I27-Y482 HydrophobicContact CG2-CE2 4.37Å; L30-Y482 HydrophobicContact CD1-CD1 4.39Å; L30-Y482 HydrophobicContact CD1-CD2 3.66Å; L30-Y482 HydrophobicContact CD1-CE2 4.35Å; L30-Y482 HydrophobicContact CD1-CG 3.69Å; H457-Y482 HydrophobicContact CB-CE1 4.34Å; H457-Y482 AromaticContact CD2-CE1 3.76Å; V459-Y482 HydrophobicContact CG2-CD1 3.83Å; V459-Y482 HydrophobicContact CG2-CG 4.49Å; G460-Y482 WeakPolarHBondContact O-CA 3.45Å; G460-Y482 WeakPolarHBondContact O-CB 3.29Å; D461-Y482 HydrophobicContact CB-CD1 4.41Å; Y482-L507 PolarHBondContact N-O 2.85Å; Y482-L507 PolarHBondContact O-N 2.83Å; Y482-P509 HydrophobicContact CD2-CG 4.44Å; Y482-P509 HydrophobicContact CE2-CG 3.75Å
483	P	98.4	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	141.3	-177.2	32.1	-34.8	0	0	0	111.1	D461 L463 W476 V506 Y539	D461-P483 VanDerWaalsContact C-CD 3.44Å; L463-P483 HydrophobicContact CD1-CB 4.12Å; L463-P483 HydrophobicContact CD2-CB 3.63Å; L463-P483 HydrophobicContact CD2-CG 3.86Å; L463-P483 HydrophobicContact CG-CB 3.64Å; L463-P483 HydrophobicContact CG-CG 3.8Å; W476-P483 HydrophobicContact CE3-CG 4.46Å; W476-P483 HydrophobicContact CZ3-CB 4.05Å; W476-P483 HydrophobicContact CZ3-CG 4.09Å; P483-V506 HydrophobicContact CB-CG2 4.2Å; P483-Y539 PolarHBondContact O-OH 2.66Å
484	S	98.3	Very high	96.6	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.014	22%	0.224	C	C	.	.			trans	-82.2	174	171.6	64.8	0	0	0	0	112.2	R59 S504 V505	R59-S484 PolarHBondContact NE-OG 3.17Å; R59-S484 PolarHBondContact NH1-OG 3.22Å; S484-S504 PolarHBondContact N-OG 3.23Å; S484-S504 PolarHBondContact O-OG 3.03Å; S484-V505 WeakPolarHBondContact CB-O 3.32Å; S484-V505 PolarHBondContact N-O 2.91Å; S484-V505 WeakPolarHBondContact OG-CA 3.2Å; S484-V505 WeakPolarHBondContact OG-CB 3.36Å; S484-V505 PolarHBondContact OG-N 2.75Å; S484-V505 PolarHBondContact OG-O 3.48Å
485	E	98.5	Very high	96.2	Very high	5 Å²	5	45.3 Å²	45.3	2%	0.023	24%	0.244	C	C	.	.			trans	-43	127.2	-179.3	174.6	-176.6	-124	0	0	113	R59 F434 Q436 V487 H542 G543	R59-E485 PolarHBondContact NH1-O 3.36Å; R59-E485 VanDerWaalsContact NH1-O 3.11Å; F434-E485 HydrophobicContact CB-CB 4.01Å; F434-E485 HydrophobicContact CB-CG 4.04Å; F434-E485 HydrophobicContact CD1-CB 4.4Å; F434-E485 HydrophobicContact CG-CB 4.29Å; Q436-E485 HydrophobicContact CG-CG 3.85Å; Q436-E485 VanDerWaalsContact NE2-CD 3.28Å; Q436-E485 PolarHBondContact NE2-OE1 3.49Å; E485-V487 PolarHBondContact O-N 3.38Å; E485-H542 IonicContact OE1-CE1 2.7Å; E485-H542 IonicContact OE1-ND1 2.89Å; E485-H542 PolarHBondContact OE1-ND1 3.03Å; E485-H542 WeakPolarHBondContact OE2-CA 3.31Å; E485-H542 IonicContact OE2-CG 3.48Å; E485-H542 IonicContact OE2-ND1 3.88Å; E485-G543 PolarHBondContact OE2-N 3.06Å
486	P	98.4	Very high	96.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	S	.	.			trans	-79.7	102.8	-178.8	28.5	-31.8	0	0	0	112.4	Q436 L463 I502	Q436-P486 WeakPolarHBondContact CB-O 3.33Å; Q436-P486 VanDerWaalsContact CG-O 3.24Å; Q436-P486 WeakPolarHBondContact CG-O 3.33Å; L463-P486 HydrophobicContact CD2-CB 3.91Å; L463-P486 HydrophobicContact CD2-CG 4.08Å; P486-I502 HydrophobicContact CB-CG2 3.31Å
487	V	98.7	Very high	96	Very high	9 Å²	9	46.8 Å²	46.8	6%	0.055	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.9	179.3	175.7	0	0	0	0	110.8	F57 E485 I502 L503 F545	F57-V487 HydrophobicContact CE2-CB 3.78Å; F57-V487 HydrophobicContact CE2-CG1 4.35Å; F57-V487 HydrophobicContact CE2-CG2 3.66Å; F57-V487 HydrophobicContact CZ-CB 4.42Å; F57-V487 HydrophobicContact CZ-CG2 4.27Å; E485-V487 PolarHBondContact O-N 3.38Å; V487-I502 WeakPolarHBondContact O-CA 3.34Å; V487-L503 PolarHBondContact N-O 2.91Å; V487-L503 PolarHBondContact O-N 2.74Å; V487-F545 HydrophobicContact CG1-CB 4.17Å
488	F	98.6	Very high	96	Very high	19 Å²	19	42.3 Å²	42.3	8%	0.083	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	132.5	176.7	179.3	-89.3	0	0	0	111.9	N438 Y451 P490 E497 V501 I502 A522	N438-F488 HydrophobicContact CB-CD1 3.78Å; N438-F488 HydrophobicContact CB-CE1 3.54Å; N438-F488 HydrophobicContact CB-CZ 4.09Å; N438-F488 WeakPolarHBondContact ND2-CE1 3.41Å; Y451-F488 HydrophobicContact CD2-CB 4.41Å; Y451-F488 HydrophobicContact CD2-CD2 4.45Å; Y451-F488 HydrophobicContact CE2-CB 4.32Å; Y451-F488 AromaticContact CE2-CD2 3.62Å; Y451-F488 HydrophobicContact CE2-CD2 3.62Å; Y451-F488 HydrophobicContact CE2-CE2 4.31Å; Y451-F488 HydrophobicContact CE2-CG 4.22Å; Y451-F488 AromaticContact CZ-CD2 3.88Å; F488-P490 HydrophobicContact CE1-CB 3.8Å; F488-P490 HydrophobicContact CE1-CG 4.36Å; F488-P490 HydrophobicContact CZ-CB 4.4Å; F488-E497 WeakPolarHBondContact CZ-O 3.41Å; F488-V501 WeakPolarHBondContact CA-O 3.05Å; F488-I502 HydrophobicContact CB-CD1 3.84Å; F488-I502 HydrophobicContact CD2-CD1 3.74Å; F488-I502 HydrophobicContact CG-CD1 4.28Å; F488-A522 HydrophobicContact CD2-CB 3.88Å; F488-A522 HydrophobicContact CE2-CB 3.61Å
489	V	98.3	Very high	96.1	Very high	8 Å²	8	39.6 Å²	39.6	5%	0.048	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	114.1	173.5	-174.3	0	0	0	0	108.9	W52 G500 V501 L503 F545	W52-V489 HydrophobicContact CZ3-CG1 4.1Å; V489-G500 CarbonylContact O-C 3.44Å; V489-G500 WeakPolarHBondContact O-CA 3.47Å; V489-V501 HydrophobicContact CB-CG2 3.91Å; V489-V501 PolarHBondContact N-O 3.18Å; V489-V501 PolarHBondContact O-N 3.08Å; V489-L503 HydrophobicContact CG2-CD1 3.72Å; V489-L503 HydrophobicContact CG2-CG 4.06Å; V489-F545 HydrophobicContact CB-CD1 4.46Å; V489-F545 HydrophobicContact CG1-CD1 3.72Å; V489-F545 HydrophobicContact CG1-CE1 3.68Å; V489-F545 HydrophobicContact CG1-CG 4.32Å; V489-F545 HydrophobicContact CG1-CZ 4.25Å; V489-F545 HydrophobicContact CG2-CB 3.84Å; V489-F545 HydrophobicContact CG2-CD1 3.85Å; V489-F545 HydrophobicContact CG2-CD2 3.96Å; V489-F545 HydrophobicContact CG2-CE1 4.41Å; V489-F545 HydrophobicContact CG2-CG 3.59Å
490	P	97.1	Very high	96.3	Very high	45 Å²	45	31.6 Å²	31.6	29%	0.292	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	145	-179.6	26	-32	0	0	0	111.4	W52 F488	W52-P490 VanDerWaalsContact CZ3-O 3.29Å; W52-P490 WeakPolarHBondContact CZ3-O 3.41Å; F488-P490 HydrophobicContact CE1-CB 3.8Å; F488-P490 HydrophobicContact CE1-CG 4.36Å; F488-P490 HydrophobicContact CZ-CB 4.4Å
491	S	95.8	Very high	96.5	Very high	32 Å²	32	31.3 Å²	31.3	22%	0.224	19%	0.186	C	C	.	.			trans	-64.2	144.9	164.5	178.7	0	0	0	0	110	D493 A494 A499	S491-D493 PolarHBondContact O-N 3.09Å; S491-A494 WeakPolarHBondContact O-CB 3.4Å; S491-A494 PolarHBondContact O-N 3.05Å; S491-A494 VanDerWaalsContact O-N 3.07Å; S491-A499 PolarHBondContact N-O 3.34Å
492	P	92.3	Very high	96.6	Very high	91 Å²	91	30.7 Å²	30.7	59%	0.591	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-39.1	179.9	-27.5	34.7	0	0	0	113.5	W52	W52-P492 HydrophobicContact CB-CG 4.19Å; W52-P492 HydrophobicContact CE3-CG 4.29Å
493	D	89.6	Confident	96.6	Very high	144 Å²	144	30.2 Å²	30.2	77%	0.77	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	23.5	-177.7	-56.8	-48.4	0	0	0	112.6	S491 T495	S491-D493 PolarHBondContact O-N 3.09Å; D493-T495 PolarHBondContact O-N 2.86Å; D493-T495 VanDerWaalsContact O-N 3.14Å
494	A	90.8	Very high	96.6	Very high	10 Å²	10	30.2 Å²	30.2	8%	0.083	18%	0.182	C	C	.	.			trans	-60.1	115.3	-175.8	0	0	0	0	0	112.8	K441 S491 A499	K441-A494 PolarHBondContact NZ-O 3.45Å; S491-A494 WeakPolarHBondContact O-CB 3.4Å; S491-A494 PolarHBondContact O-N 3.05Å; S491-A494 VanDerWaalsContact O-N 3.07Å; A494-A499 HydrophobicContact CB-CB 3.75Å; A494-A499 WeakPolarHBondContact CB-O 3.41Å
495	T	89.8	Confident	96.6	Very high	135 Å²	135	30.4 Å²	30.4	83%	0.828	18%	0.183	S	C	*	.			trans	-97.5	-37.6	171.5	48.2	0	0	0	0	112.3	D493	D493-T495 PolarHBondContact O-N 2.86Å; D493-T495 VanDerWaalsContact O-N 3.14Å
496	D	95.9	Very high	96.6	Very high	72 Å²	72	30.2 Å²	30.2	39%	0.385	18%	0.182	S	C	.	.	S	Bend	trans	-83.8	152.9	173.5	-65.2	-26.5	0	0	0	111.5	D498 A499 K523	D496-D498 VanDerWaalsContact C-N 3.3Å; D496-D498 PolarHBondContact O-N 3.17Å; D496-A499 HydrophobicContact CB-CB 4.09Å; D496-A499 WeakPolarHBondContact O-CB 3.37Å; D496-A499 PolarHBondContact O-N 2.8Å; D496-K523 IonicContact OD2-NZ 3.14Å; D496-K523 PolarHBondContact OD2-NZ 3.47Å
497	E	97.8	Very high	96.6	Very high	25 Å²	25	30.3 Å²	30.3	12%	0.117	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-39.1	178.4	176.9	175.4	156.8	0	0	113.1	N438 F442 R448 Y449 F488	N438-E497 PolarHBondContact ND2-O 3.45Å; F442-E497 HydrophobicContact CD1-CG 4.25Å; F442-E497 HydrophobicContact CD2-CG 3.84Å; F442-E497 HydrophobicContact CE1-CB 4.18Å; F442-E497 HydrophobicContact CE1-CG 3.98Å; F442-E497 HydrophobicContact CE2-CB 3.78Å; F442-E497 HydrophobicContact CE2-CG 3.56Å; F442-E497 HydrophobicContact CG-CG 4.18Å; F442-E497 HydrophobicContact CZ-CB 3.55Å; F442-E497 HydrophobicContact CZ-CG 3.62Å; R448-E497 WeakPolarHBondContact CB-OE2 3.4Å; R448-E497 VanDerWaalsContact N-CD 3.29Å; R448-E497 PolarHBondContact N-OE1 3.04Å; R448-E497 PolarHBondContact N-OE2 3.1Å; Y449-E497 HydrophobicContact CD2-CB 4.04Å; Y449-E497 HydrophobicContact CD2-CG 3.98Å; Y449-E497 HydrophobicContact CE2-CB 4.38Å; Y449-E497 PolarHBondContact N-OE1 3.22Å; F488-E497 WeakPolarHBondContact CZ-O 3.41Å
498	D	98.1	Very high	96.4	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	15.1	-178.8	61.2	-11.7	0	0	0	113.5	Y449 Y451 K465 D496 G500 A522	Y449-D498 HydrophobicContact CD2-CB 3.61Å; Y449-D498 HydrophobicContact CE2-CB 3.83Å; Y449-D498 VanDerWaalsContact CE2-OD2 3.32Å; Y449-D498 WeakPolarHBondContact CE2-OD2 3.34Å; Y449-D498 HydrophobicContact CG-CB 4.24Å; Y451-D498 WeakPolarHBondContact OH-CB 3.29Å; K465-D498 IonicContact NZ-OD2 2.73Å; K465-D498 PolarHBondContact NZ-OD2 2.83Å; D496-D498 VanDerWaalsContact C-N 3.3Å; D496-D498 PolarHBondContact O-N 3.17Å; D498-G500 PolarHBondContact O-N 3.28Å; D498-G500 VanDerWaalsContact O-N 3.11Å; D498-A522 WeakPolarHBondContact O-CB 3.42Å
499	A	97.8	Very high	96.1	Very high	23 Å²	23	30.5 Å²	30.5	19%	0.19	19%	0.185	C	C	.	.			trans	-76.1	96.1	172.6	0	0	0	0	0	110.7	S491 A494 D496	S491-A499 PolarHBondContact N-O 3.34Å; A494-A499 HydrophobicContact CB-CB 3.75Å; A494-A499 WeakPolarHBondContact CB-O 3.41Å; D496-A499 HydrophobicContact CB-CB 4.09Å; D496-A499 WeakPolarHBondContact O-CB 3.37Å; D496-A499 PolarHBondContact O-N 2.8Å
500	G	98	Very high	95.6	Very high	7 Å²	7	32.1 Å²	32.1	7%	0.072	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.6	-158.6	-178.1	0	0	0	0	0	111.8	V489 D498 A522	V489-G500 CarbonylContact O-C 3.44Å; V489-G500 WeakPolarHBondContact O-CA 3.47Å; D498-G500 PolarHBondContact O-N 3.28Å; D498-G500 VanDerWaalsContact O-N 3.11Å; G500-A522 WeakPolarHBondContact O-CB 3.19Å; G500-A522 PolarHBondContact O-N 3.4Å
501	V	98.7	Very high	94.7	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	160.6	175.4	-61.8	0	0	0	0	111.8	P50 W52 I53 F488 V489 L503 V519 L520 L528	P50-V501 HydrophobicContact CG-CG1 4.19Å; W52-V501 HydrophobicContact CH2-CB 4.49Å; W52-V501 HydrophobicContact CH2-CG1 4.05Å; W52-V501 HydrophobicContact CH2-CG2 3.95Å; W52-V501 HydrophobicContact CZ2-CG1 3.82Å; I53-V501 HydrophobicContact CD1-CB 4.48Å; I53-V501 HydrophobicContact CD1-CG1 4.17Å; I53-V501 HydrophobicContact CD1-CG2 3.69Å; I53-V501 HydrophobicContact CG1-CG2 4.23Å; F488-V501 WeakPolarHBondContact CA-O 3.05Å; V489-V501 HydrophobicContact CB-CG2 3.91Å; V489-V501 PolarHBondContact N-O 3.18Å; V489-V501 PolarHBondContact O-N 3.08Å; V501-L503 HydrophobicContact CG2-CD2 4.16Å; V501-L503 HydrophobicContact CG2-CG 4.43Å; V501-V519 HydrophobicContact CB-CG1 3.93Å; V501-V519 HydrophobicContact CG1-CG1 3.95Å; V501-V519 HydrophobicContact CG2-CG1 4.28Å; V501-L520 CarbonylContact C-O 3.46Å; V501-L520 WeakPolarHBondContact CA-O 3.19Å; V501-L520 VanDerWaalsContact CB-O 3.27Å; V501-L520 WeakPolarHBondContact CB-O 3.27Å; V501-L528 HydrophobicContact CG1-CD1 3.86Å
502	I	98.8	Very high	94	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.5	165.9	-58.3	-58.2	0	0	0	108.8	Y451 P486 V487 F488 V519 L520 A522 F525	Y451-I502 HydrophobicContact CD1-CD1 3.59Å; Y451-I502 HydrophobicContact CD1-CG1 3.91Å; Y451-I502 HydrophobicContact CD2-CD1 3.79Å; Y451-I502 HydrophobicContact CE1-CD1 3.71Å; Y451-I502 HydrophobicContact CE1-CG1 4Å; Y451-I502 HydrophobicContact CE2-CD1 3.93Å; Y451-I502 HydrophobicContact CG-CD1 3.63Å; Y451-I502 HydrophobicContact CG-CG1 4.38Å; P486-I502 HydrophobicContact CB-CG2 3.31Å; V487-I502 WeakPolarHBondContact O-CA 3.34Å; F488-I502 HydrophobicContact CB-CD1 3.84Å; F488-I502 HydrophobicContact CD2-CD1 3.74Å; F488-I502 HydrophobicContact CG-CD1 4.28Å; I502-V519 WeakPolarHBondContact O-CA 3.24Å; I502-L520 HydrophobicContact CB-CB 4.23Å; I502-L520 PolarHBondContact N-O 2.93Å; I502-L520 PolarHBondContact O-N 2.91Å; I502-A522 HydrophobicContact CD1-CB 4.19Å; I502-A522 HydrophobicContact CG1-CB 4.04Å; I502-F525 HydrophobicContact CG1-CE2 4.2Å
503	L	98.9	Very high	93.6	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.9	173	-57.5	-177.7	0	0	0	109.8	F57 I87 V487 V489 V501 L517 L518 V519 F545	F57-L503 HydrophobicContact CB-CD1 3.98Å; F57-L503 HydrophobicContact CD1-CB 4.17Å; F57-L503 HydrophobicContact CD1-CD1 4.5Å; F57-L503 HydrophobicContact CD2-CB 4.42Å; F57-L503 HydrophobicContact CD2-CD1 4.34Å; F57-L503 HydrophobicContact CE1-CB 4.07Å; F57-L503 HydrophobicContact CE2-CB 4.37Å; F57-L503 HydrophobicContact CG-CB 4.32Å; F57-L503 HydrophobicContact CG-CD1 4.04Å; F57-L503 HydrophobicContact CZ-CB 4.17Å; I87-L503 HydrophobicContact CD1-CD1 3.96Å; I87-L503 HydrophobicContact CD1-CD2 4.36Å; V487-L503 PolarHBondContact N-O 2.91Å; V487-L503 PolarHBondContact O-N 2.74Å; V489-L503 HydrophobicContact CG2-CD1 3.72Å; V489-L503 HydrophobicContact CG2-CG 4.06Å; V501-L503 HydrophobicContact CG2-CD2 4.16Å; V501-L503 HydrophobicContact CG2-CG 4.43Å; L503-L517 HydrophobicContact CB-CD1 4.32Å; L503-L518 WeakPolarHBondContact CA-O 3.33Å; L503-V519 HydrophobicContact CD2-CB 4.33Å; L503-V519 HydrophobicContact CD2-CG1 4.08Å; L503-V519 HydrophobicContact CD2-CG2 3.77Å; L503-F545 HydrophobicContact CD1-CD2 3.75Å; L503-F545 HydrophobicContact CD1-CE2 4.09Å
504	S	98.8	Very high	93.5	Very high	1 Å²	1	38 Å²	38	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	136.8	173.5	176.8	0	0	0	0	110.3	S484 L518	S484-S504 PolarHBondContact N-OG 3.23Å; S484-S504 PolarHBondContact O-OG 3.03Å; S504-L518 PolarHBondContact N-O 2.89Å; S504-L518 WeakPolarHBondContact O-CB 3.35Å; S504-L518 PolarHBondContact O-N 3.25Å
505	V	98.5	Very high	93.7	Very high	6 Å²	6	37.8 Å²	37.8	4%	0.036	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.9	167.8	-178.3	0	0	0	0	108.3	F57 R59 F85 S484 L507 T515 M537	F57-V505 HydrophobicContact CE1-CG2 3.91Å; R59-V505 VanDerWaalsContact CD-CG2 3.44Å; R59-V505 HydrophobicContact CG-CG2 4.43Å; F85-V505 HydrophobicContact CD2-CG2 4.2Å; F85-V505 HydrophobicContact CE1-CG2 4.27Å; F85-V505 HydrophobicContact CE2-CG2 3.35Å; F85-V505 HydrophobicContact CZ-CB 4.39Å; F85-V505 HydrophobicContact CZ-CG1 4.08Å; F85-V505 HydrophobicContact CZ-CG2 3.38Å; S484-V505 WeakPolarHBondContact CB-O 3.32Å; S484-V505 PolarHBondContact N-O 2.91Å; S484-V505 WeakPolarHBondContact OG-CA 3.2Å; S484-V505 WeakPolarHBondContact OG-CB 3.36Å; S484-V505 PolarHBondContact OG-N 2.75Å; S484-V505 PolarHBondContact OG-O 3.48Å; V505-L507 HydrophobicContact CG1-CD2 4.07Å; V505-T515 HydrophobicContact CG1-CG2 3.95Å; V505-M537 HydrophobicContact CG1-SD 3.94Å
506	V	98.4	Very high	94.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.2	-180	-176.3	0	0	0	0	109.4	W476 F481 P483 T515 F516 L518	W476-V506 HydrophobicContact CH2-CB 4.44Å; W476-V506 HydrophobicContact CH2-CG1 3.78Å; W476-V506 HydrophobicContact CH2-CG2 3.8Å; W476-V506 HydrophobicContact CZ3-CG1 4.34Å; W476-V506 HydrophobicContact CZ3-CG2 4.13Å; F481-V506 HydrophobicContact CB-CG1 3.56Å; F481-V506 HydrophobicContact CD1-CG1 3.69Å; F481-V506 HydrophobicContact CG-CG1 3.97Å; P483-V506 HydrophobicContact CB-CG2 4.2Å; V506-T515 WeakPolarHBondContact O-CA 3.44Å; V506-T515 WeakPolarHBondContact O-CG2 3.14Å; V506-F516 HydrophobicContact CB-CD1 4.44Å; V506-F516 HydrophobicContact CB-CD2 3.94Å; V506-F516 HydrophobicContact CB-CE1 4.08Å; V506-F516 HydrophobicContact CB-CE2 3.54Å; V506-F516 HydrophobicContact CB-CG 4.38Å; V506-F516 HydrophobicContact CB-CZ 3.61Å; V506-F516 HydrophobicContact CG1-CE1 3.98Å; V506-F516 HydrophobicContact CG1-CE2 4.02Å; V506-F516 HydrophobicContact CG1-CZ 3.57Å; V506-F516 HydrophobicContact CG2-CD2 4.09Å; V506-F516 HydrophobicContact CG2-CE2 3.52Å; V506-F516 HydrophobicContact CG2-CZ 3.96Å; V506-F516 PolarHBondContact N-O 3.05Å; V506-F516 PolarHBondContact O-N 2.76Å; V506-F516 VanDerWaalsContact O-N 3.12Å; V506-L518 HydrophobicContact CG2-CB 3.71Å; V506-L518 HydrophobicContact CG2-CD2 3.95Å; V506-L518 HydrophobicContact CG2-CG 4.46Å
507	L	97.5	Very high	94.2	Very high	3 Å²	3	28 Å²	28	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	160.9	-176.5	-57.4	170.6	0	0	0	111	L30 F481 Y482 V505 T515 M537 Y539	L30-L507 HydrophobicContact CD1-CB 4.46Å; L30-L507 HydrophobicContact CD2-CB 3.85Å; F481-L507 CarbonylContact C-O 3.51Å; F481-L507 WeakPolarHBondContact CA-O 3.36Å; Y482-L507 PolarHBondContact N-O 2.85Å; Y482-L507 PolarHBondContact O-N 2.83Å; V505-L507 HydrophobicContact CG1-CD2 4.07Å; L507-T515 HydrophobicContact CD2-CG2 3.67Å; L507-M537 HydrophobicContact CD2-CB 3.66Å; L507-Y539 HydrophobicContact CD1-CD2 3.6Å; L507-Y539 HydrophobicContact CD1-CE2 4.41Å; L507-Y539 HydrophobicContact CD1-CG 3.9Å
508	T	95	Very high	94.2	Very high	13 Å²	13	26.9 Å²	26.9	8%	0.08	15%	0.154	C	C	.	.			trans	-143.4	132.6	177.3	166.6	0	0	0	0	109.6	L30 F481 S510 K513	L30-T508 WeakPolarHBondContact CD2-O 3.47Å; F481-T508 HydrophobicContact CE1-CG2 4.4Å; T508-S510 PolarHBondContact O-N 2.63Å; T508-S510 PolarHBondContact OG1-N 2.7Å; T508-S510 VanDerWaalsContact OG1-N 3.07Å; T508-S510 PolarHBondContact OG1-O 2.91Å; T508-K513 HydrophobicContact CG2-CB 3.64Å; T508-K513 VanDerWaalsContact CG2-O 3.23Å; T508-K513 WeakPolarHBondContact CG2-O 3.13Å
509	P	92.3	Very high	94.3	Very high	18 Å²	18	26.7 Å²	26.7	12%	0.117	15%	0.153	C	C	.	.	S	Bend	trans	-75	-14.4	172.8	31.7	-34.7	0	0	0	112	E25 S26 P29 L30 Y482	E25-P509 HydrophobicContact CG-CG 4.08Å; E25-P509 WeakPolarHBondContact OE2-CG 3.3Å; S26-P509 WeakPolarHBondContact O-CB 3.48Å; P29-P509 HydrophobicContact CB-CB 4.16Å; P29-P509 HydrophobicContact CG-CB 3.94Å; L30-P509 HydrophobicContact CD2-CB 4.44Å; L30-P509 HydrophobicContact CG-CB 4.24Å; Y482-P509 HydrophobicContact CD2-CG 4.44Å; Y482-P509 HydrophobicContact CE2-CG 3.75Å
510	S	87.4	Confident	94.3	Very high	42 Å²	42	25.6 Å²	25.6	29%	0.294	14%	0.144	S	C	.	.	S	Bend	trans	-88.4	135.6	-177.4	-160.1	0	0	0	0	112	T508 D512 K513	T508-S510 PolarHBondContact O-N 2.63Å; T508-S510 PolarHBondContact OG1-N 2.7Å; T508-S510 VanDerWaalsContact OG1-N 3.07Å; T508-S510 PolarHBondContact OG1-O 2.91Å; S510-D512 VanDerWaalsContact C-N 3.32Å; S510-D512 WeakPolarHBondContact CB-OD1 3.39Å; S510-D512 PolarHBondContact O-N 2.99Å; S510-D512 PolarHBondContact OG-OD1 3.09Å; S510-K513 PolarHBondContact O-N 3.2Å
511	Q	78.7	Confident	94.4	Very high	196 Å²	196	27.3 Å²	27.3	92%	0.916	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.4	-176.4	-65.2	-173.8	-5.3	0	0	114.2
512	D	81.5	Confident	94.4	Very high	134 Å²	134	27.2 Å²	27.2	72%	0.717	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-10.6	178.7	68.3	-35	0	0	0	113.4	S510	S510-D512 VanDerWaalsContact C-N 3.32Å; S510-D512 WeakPolarHBondContact CB-OD1 3.39Å; S510-D512 PolarHBondContact O-N 2.99Å; S510-D512 PolarHBondContact OG-OD1 3.09Å
513	K	82.8	Confident	94.3	Very high	68 Å²	68	31.8 Å²	31.8	30%	0.296	17%	0.17	S	C	.	.	S	Bend	trans	-110.4	143.7	179.2	-68.1	171.7	176	-177.6	0	109.8	K479 F481 T508 S510	K479-K513 PolarHBondContact O-NZ 3.33Å; F481-K513 HydrophobicContact CE1-CB 4.09Å; F481-K513 HydrophobicContact CE1-CD 4.07Å; F481-K513 HydrophobicContact CE1-CG 4.45Å; F481-K513 HydrophobicContact CE2-CD 3.92Å; F481-K513 HydrophobicContact CZ-CB 4.08Å; F481-K513 HydrophobicContact CZ-CD 3.61Å; F481-K513 HydrophobicContact CZ-CG 3.98Å; T508-K513 HydrophobicContact CG2-CB 3.64Å; T508-K513 VanDerWaalsContact CG2-O 3.23Å; T508-K513 WeakPolarHBondContact CG2-O 3.13Å; S510-K513 PolarHBondContact O-N 3.2Å
514	G	87.5	Confident	94.3	Very high	39 Å²	39	34.6 Å²	34.6	40%	0.402	19%	0.187	S	C	.	.			trans	-87	150.7	175.6	0	0	0	0	0	112.9
515	T	94.9	Very high	94.2	Very high	5 Å²	5	35 Å²	35	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	142.5	162.2	-69	0	0	0	0	109.3	V505 V506 L507 V533 M537	V505-T515 HydrophobicContact CG1-CG2 3.95Å; V506-T515 WeakPolarHBondContact O-CA 3.44Å; V506-T515 WeakPolarHBondContact O-CG2 3.14Å; L507-T515 HydrophobicContact CD2-CG2 3.67Å; T515-V533 PolarHBondContact O-N 2.86Å; T515-M537 HydrophobicContact CG2-CE 3.8Å; T515-M537 HydrophobicContact CG2-CG 4.18Å; T515-M537 HydrophobicContact CG2-SD 3.85Å
516	F	98.1	Very high	94.2	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155	179.3	56.5	-93.3	0	0	0	113	W476 F481 V506 L518 R530 A531	W476-F516 HydrophobicContact CH2-CZ 4.37Å; W476-F516 HydrophobicContact CZ2-CE2 4.45Å; W476-F516 HydrophobicContact CZ2-CZ 4.3Å; F481-F516 AromaticContact CD1-CE1 3.82Å; F481-F516 HydrophobicContact CD1-CE1 3.82Å; F481-F516 HydrophobicContact CD1-CZ 4.29Å; F481-F516 HydrophobicContact CE1-CD1 4.44Å; F481-F516 AromaticContact CE1-CE1 3.55Å; F481-F516 HydrophobicContact CE1-CE1 3.55Å; F481-F516 HydrophobicContact CE1-CZ 4.36Å; F481-F516 HydrophobicContact CZ-CE1 4.18Å; V506-F516 HydrophobicContact CB-CD1 4.44Å; V506-F516 HydrophobicContact CB-CD2 3.94Å; V506-F516 HydrophobicContact CB-CE1 4.08Å; V506-F516 HydrophobicContact CB-CE2 3.54Å; V506-F516 HydrophobicContact CB-CG 4.38Å; V506-F516 HydrophobicContact CB-CZ 3.61Å; V506-F516 HydrophobicContact CG1-CE1 3.98Å; V506-F516 HydrophobicContact CG1-CE2 4.02Å; V506-F516 HydrophobicContact CG1-CZ 3.57Å; V506-F516 HydrophobicContact CG2-CD2 4.09Å; V506-F516 HydrophobicContact CG2-CE2 3.52Å; V506-F516 HydrophobicContact CG2-CZ 3.96Å; V506-F516 PolarHBondContact N-O 3.05Å; V506-F516 PolarHBondContact O-N 2.76Å; V506-F516 VanDerWaalsContact O-N 3.12Å; F516-L518 HydrophobicContact CD2-CB 4.15Å; F516-L518 HydrophobicContact CE2-CB 3.98Å; F516-L518 HydrophobicContact CE2-CD1 4.15Å; F516-R530 HydrophobicContact CB-CB 4.42Å; F516-R530 HydrophobicContact CD2-CB 3.76Å; F516-R530 HydrophobicContact CE2-CB 4.37Å; F516-R530 HydrophobicContact CD2-CG 4.44Å; F516-R530 HydrophobicContact CG-CB 4.31Å; F516-A531 CarbonylContact C-O 3.58Å; F516-A531 VanDerWaalsContact CA-O 3.23Å; F516-A531 WeakPolarHBondContact CA-O 3.35Å; F516-A531 WeakPolarHBondContact CB-O 3.42Å
517	L	98.7	Very high	94.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.1	161.5	171.4	65	0	0	0	108.7	F57 F85 I87 V92 L503 R530 A531	F57-L517 HydrophobicContact CD1-CD1 3.53Å; F57-L517 HydrophobicContact CE1-CD1 3.66Å; F85-L517 HydrophobicContact CB-CD2 3.9Å; F85-L517 HydrophobicContact CD1-CB 3.68Å; F85-L517 HydrophobicContact CD1-CD2 3.98Å; F85-L517 HydrophobicContact CD1-CG 4.33Å; F85-L517 HydrophobicContact CE1-CB 3.77Å; F85-L517 HydrophobicContact CG-CB 4.47Å; F85-L517 HydrophobicContact CG-CD2 4.14Å; I87-L517 HydrophobicContact CD1-CD2 3.84Å; I87-L517 HydrophobicContact CG1-CD2 4.28Å; V92-L517 HydrophobicContact CG1-CD2 4.13Å; V92-L517 HydrophobicContact CG2-CD2 4.39Å; L503-L517 HydrophobicContact CB-CD1 4.32Å; L517-R530 CarbonylContact O-C 3.55Å; L517-R530 WeakPolarHBondContact O-CA 3.48Å; L517-R530 WeakPolarHBondContact O-CB 3.35Å; L517-A531 PolarHBondContact N-O 3.44Å; L517-A531 PolarHBondContact O-N 3.17Å; L517-A531 HydrophobicContact CB-CB 4.28Å
518	L	98.9	Very high	94.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	138.8	174.7	-179.9	65.9	0	0	0	110.6	L463 W476 L503 S504 V506 F516 L520 E527	L463-L518 HydrophobicContact CD1-CD2 3.89Å; W476-L518 HydrophobicContact CD2-CD2 3.59Å; W476-L518 VanDerWaalsContact CE2-CD2 3.44Å; W476-L518 HydrophobicContact CE3-CD2 3.89Å; W476-L518 HydrophobicContact CG-CD2 4.16Å; W476-L518 HydrophobicContact CH2-CD2 4.03Å; W476-L518 HydrophobicContact CZ2-CD1 4.31Å; W476-L518 HydrophobicContact CZ2-CD2 3.69Å; W476-L518 HydrophobicContact CZ3-CD2 4.11Å; L503-L518 WeakPolarHBondContact CA-O 3.33Å; S504-L518 PolarHBondContact N-O 2.89Å; S504-L518 WeakPolarHBondContact O-CB 3.35Å; S504-L518 PolarHBondContact O-N 3.25Å; V506-L518 HydrophobicContact CG2-CB 3.71Å; V506-L518 HydrophobicContact CG2-CD2 3.95Å; V506-L518 HydrophobicContact CG2-CG 4.46Å; F516-L518 HydrophobicContact CD2-CB 4.15Å; F516-L518 HydrophobicContact CE2-CB 3.98Å; F516-L518 HydrophobicContact CE2-CD1 4.15Å; L518-L520 HydrophobicContact CD1-CD2 3.85Å; L518-L520 HydrophobicContact CD2-CD1 4.23Å; L518-L520 HydrophobicContact CD2-CD2 3.84Å; L518-L520 HydrophobicContact CD2-CG 3.97Å; L518-L520 HydrophobicContact CG-CD2 3.83Å; L518-L520 HydrophobicContact CG-CG 4.04Å; L518-E527 HydrophobicContact CD1-CB 4.34Å; L518-E527 WeakPolarHBondContact CD1-OE2 3.39Å; L518-E527 HydrophobicContact CD1-CG 3.59Å; L518-E527 VanDerWaalsContact CD1-CD 3.42Å
519	V	98.9	Very high	94.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.5	171.7	-171.4	0	0	0	0	109	I49 I53 V501 I502 L503 L528 G529	I49-V519 HydrophobicContact CD1-CG2 4.29Å; I49-V519 HydrophobicContact CG1-CG2 4.01Å; I49-V519 HydrophobicContact CG2-CG2 4.34Å; I53-V519 HydrophobicContact CD1-CG1 4.14Å; V501-V519 HydrophobicContact CB-CG1 3.93Å; V501-V519 HydrophobicContact CG1-CG1 3.95Å; V501-V519 HydrophobicContact CG2-CG1 4.28Å; I502-V519 WeakPolarHBondContact O-CA 3.24Å; L503-V519 HydrophobicContact CD2-CB 4.33Å; L503-V519 HydrophobicContact CD2-CG1 4.08Å; L503-V519 HydrophobicContact CD2-CG2 3.77Å; V519-L528 HydrophobicContact CG1-CD1 4.46Å; V519-L528 PolarHBondContact O-N 2.89Å; V519-G529 WeakPolarHBondContact CB-O 3.16Å; V519-G529 PolarHBondContact N-O 2.85Å; V519-G529 PolarHBondContact O-N 2.73Å
520	L	98.9	Very high	94.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	145	173.6	-54.2	-179.1	0	0	0	110.4	L463 W476 V501 I502 L518 A522 F525 E526 E527	L463-L520 HydrophobicContact CD1-CD1 3.92Å; W476-L520 HydrophobicContact CB-CD1 3.78Å; W476-L520 HydrophobicContact CG-CD1 4.07Å; W476-L520 HydrophobicContact CG-CD2 4.18Å; V501-L520 CarbonylContact C-O 3.46Å; V501-L520 WeakPolarHBondContact CA-O 3.19Å; V501-L520 VanDerWaalsContact CB-O 3.27Å; V501-L520 WeakPolarHBondContact CB-O 3.27Å; I502-L520 HydrophobicContact CB-CB 4.23Å; I502-L520 PolarHBondContact N-O 2.93Å; I502-L520 PolarHBondContact O-N 2.91Å; L518-L520 HydrophobicContact CD1-CD2 3.85Å; L518-L520 HydrophobicContact CD2-CD1 4.23Å; L518-L520 HydrophobicContact CD2-CD2 3.84Å; L518-L520 HydrophobicContact CD2-CG 3.97Å; L518-L520 HydrophobicContact CG-CD2 3.83Å; L518-L520 HydrophobicContact CG-CG 4.04Å; L520-A522 PolarHBondContact O-N 2.76Å; L520-F525 HydrophobicContact CD1-CD1 4.38Å; L520-F525 HydrophobicContact CD1-CD2 4.1Å; L520-F525 HydrophobicContact CD1-CE1 4.18Å; L520-F525 HydrophobicContact CD1-CE2 3.86Å; L520-F525 HydrophobicContact CD1-CG 4.36Å; L520-F525 HydrophobicContact CD1-CZ 3.92Å; L520-E526 WeakPolarHBondContact CA-O 3.34Å; L520-E527 HydrophobicContact CD2-CB 3.84Å; L520-E527 HydrophobicContact CD2-CG 4.38Å
521	D	98.6	Very high	95.3	Very high	42 Å²	42	45.4 Å²	45.4	23%	0.225	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	122.1	163.6	175.2	-88.3	0	0	0	108.7	K523 T524 F525 E526 L528	D521-K523 PolarHBondContact O-N 2.72Å; D521-K523 WeakPolarHBondContact OD1-CA 3.49Å; D521-K523 WeakPolarHBondContact OD1-CB 3.31Å; D521-K523 PolarHBondContact OD1-N 2.72Å; D521-T524 VanDerWaalsContact CB-OG1 3.3Å; D521-T524 WeakPolarHBondContact CB-OG1 3.2Å; D521-T524 WeakPolarHBondContact OD1-CB 3.04Å; D521-T524 PolarHBondContact OD1-N 3.01Å; D521-T524 PolarHBondContact OD1-OG1 2.93Å; D521-F525 PolarHBondContact O-N 3.47Å; D521-F525 WeakPolarHBondContact O-CA 3.35Å; D521-E526 PolarHBondContact N-O 3.29Å; D521-L528 HydrophobicContact CB-CD1 3.89Å; D521-L528 HydrophobicContact CB-CD2 3.95Å; D521-L528 HydrophobicContact CB-CG 3.85Å
522	A	98.5	Very high	96.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-19	-171.7	0	0	0	0	0	112.9	Y451 K465 F488 D498 G500 I502 L520	Y451-A522 HydrophobicContact CE1-CB 4.35Å; K465-A522 VanDerWaalsContact CD-O 3.3Å; K465-A522 WeakPolarHBondContact CD-O 3.31Å; K465-A522 WeakPolarHBondContact CE-O 3.43Å; K465-A522 PolarHBondContact NZ-O 2.98Å; F488-A522 HydrophobicContact CD2-CB 3.88Å; F488-A522 HydrophobicContact CE2-CB 3.61Å; D498-A522 WeakPolarHBondContact O-CB 3.42Å; G500-A522 WeakPolarHBondContact O-CB 3.19Å; G500-A522 PolarHBondContact O-N 3.4Å; I502-A522 HydrophobicContact CD1-CB 4.19Å; I502-A522 HydrophobicContact CG1-CB 4.04Å; L520-A522 PolarHBondContact O-N 2.76Å
523	K	97.6	Very high	97	Very high	98 Å²	98	31.5 Å²	31.5	43%	0.426	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-56.7	-178.7	-172.9	164.8	-172.9	168.1	0	112	K465 K474 D496 D521	K465-K523 VanDerWaalsContact NZ-CA 3.34Å; K465-K523 PolarHBondContact NZ-O 3.09Å; K474-K523 PolarHBondContact NZ-O 2.88Å; D496-K523 IonicContact OD2-NZ 3.14Å; D496-K523 PolarHBondContact OD2-NZ 3.47Å; D521-K523 PolarHBondContact O-N 2.72Å; D521-K523 WeakPolarHBondContact OD1-CA 3.49Å; D521-K523 WeakPolarHBondContact OD1-CB 3.31Å; D521-K523 PolarHBondContact OD1-N 2.72Å
524	T	98.2	Very high	97.5	Very high	59 Å²	59	33 Å²	33	36%	0.362	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-31.4	179.8	61.2	0	0	0	0	111.8	K474 D521 E526	K474-T524 VanDerWaalsContact CD-O 3.25Å; K474-T524 WeakPolarHBondContact CD-O 3.39Å; K474-T524 PolarHBondContact NZ-O 3.16Å; D521-T524 VanDerWaalsContact CB-OG1 3.3Å; D521-T524 WeakPolarHBondContact CB-OG1 3.2Å; D521-T524 WeakPolarHBondContact OD1-CB 3.04Å; D521-T524 PolarHBondContact OD1-N 3.01Å; D521-T524 PolarHBondContact OD1-OG1 2.93Å; T524-E526 PolarHBondContact OG1-N 2.94Å
525	F	98.4	Very high	97.8	Very high	10 Å²	10	33 Å²	33	4%	0.044	17%	0.172	C	C	.	.			trans	66.4	21.4	-171.4	-144.5	-119.7	0	0	0	113.9	Y451 L463 K465 K474 W476 I502 L520 D521	Y451-F525 HydrophobicContact CD1-CE2 4.07Å; L463-F525 HydrophobicContact CB-CE1 4.13Å; L463-F525 HydrophobicContact CB-CZ 3.72Å; L463-F525 VanDerWaalsContact O-CE1 3.3Å; L463-F525 WeakPolarHBondContact O-CE1 3.32Å; K465-F525 HydrophobicContact CB-CD1 4.44Å; K465-F525 HydrophobicContact CB-CD2 3.78Å; K465-F525 HydrophobicContact CB-CE1 4.44Å; K465-F525 HydrophobicContact CB-CE2 3.82Å; K465-F525 HydrophobicContact CB-CG 4.1Å; K465-F525 HydrophobicContact CB-CZ 4.14Å; K465-F525 HydrophobicContact CD-CD2 4.43Å; K474-F525 HydrophobicContact CB-CB 3.86Å; K474-F525 HydrophobicContact CB-CD1 3.95Å; K474-F525 HydrophobicContact CB-CG 4.15Å; K474-F525 HydrophobicContact CD-CB 3.86Å; W476-F525 HydrophobicContact CB-CD1 4.31Å; W476-F525 HydrophobicContact CB-CE1 4Å; I502-F525 HydrophobicContact CG1-CE2 4.2Å; L520-F525 HydrophobicContact CD1-CD1 4.38Å; L520-F525 HydrophobicContact CD1-CD2 4.1Å; L520-F525 HydrophobicContact CD1-CE1 4.18Å; L520-F525 HydrophobicContact CD1-CE2 3.86Å; L520-F525 HydrophobicContact CD1-CG 4.36Å; L520-F525 HydrophobicContact CD1-CZ 3.92Å; D521-F525 PolarHBondContact O-N 3.47Å; D521-F525 WeakPolarHBondContact O-CA 3.35Å
526	E	98.5	Very high	97.7	Very high	134 Å²	134	38.6 Å²	38.6	63%	0.626	20%	0.201	S	C	*	.			trans	-88.8	152.1	173.3	-64.9	178.7	178.1	0	0	110.5	L520 D521 T524 L528	L520-E526 WeakPolarHBondContact CA-O 3.34Å; D521-E526 PolarHBondContact N-O 3.29Å; T524-E526 PolarHBondContact OG1-N 2.94Å; E526-L528 PolarHBondContact O-N 3.02Å
527	E	98.7	Very high	97.5	Very high	68 Å²	68	39 Å²	39	32%	0.318	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	123.1	178	-178	175.4	151.5	0	0	111.4	L518 L520 R530	L518-E527 HydrophobicContact CD1-CB 4.34Å; L518-E527 WeakPolarHBondContact CD1-OE2 3.39Å; L518-E527 HydrophobicContact CD1-CG 3.59Å; L518-E527 VanDerWaalsContact CD1-CD 3.42Å; L520-E527 HydrophobicContact CD2-CB 3.84Å; L520-E527 HydrophobicContact CD2-CG 4.38Å; E527-R530 IonicContact OE1-CZ 3.65Å; E527-R530 PolarHBondContact OE2-NH2 2.93Å; E527-R530 IonicContact OE2-NH2 2.69Å; E527-R530 IonicContact OE2-NE 2.66Å; E527-R530 IonicContact OE2-CZ 2.75Å; E527-R530 PolarHBondContact OE1-NH2 2.71Å; E527-R530 IonicContact OE1-NH2 2.87Å; E527-R530 PolarHBondContact OE1-NE 3.26Å; E527-R530 IonicContact OE1-NE 3.51Å
528	L	98.7	Very high	97.4	Very high	60 Å²	60	39.2 Å²	39.2	31%	0.314	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-42.2	174.1	-65.5	177.9	0	0	0	110.9	T48 P50 V501 V519 D521 E526	T48-L528 PolarHBondContact N-O 3.07Å; T48-L528 CarbonylContact O-C 3.46Å; T48-L528 WeakPolarHBondContact O-CB 3.31Å; P50-L528 HydrophobicContact CG-CD1 3.77Å; V501-L528 HydrophobicContact CG1-CD1 3.86Å; V519-L528 HydrophobicContact CG1-CD1 4.46Å; V519-L528 PolarHBondContact O-N 2.89Å; D521-L528 HydrophobicContact CB-CD1 3.89Å; D521-L528 HydrophobicContact CB-CD2 3.95Å; D521-L528 HydrophobicContact CB-CG 3.85Å; E526-L528 PolarHBondContact O-N 3.02Å
529	G	98.4	Very high	97.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	174.8	176.8	0	0	0	0	0	112.2	E46 V519	E46-G529 CarbonylContact O-C 3.5Å; E46-G529 WeakPolarHBondContact O-CA 3.46Å; V519-G529 WeakPolarHBondContact CB-O 3.16Å; V519-G529 PolarHBondContact N-O 2.85Å; V519-G529 PolarHBondContact O-N 2.73Å
530	R	98.5	Very high	97.1	Very high	37 Å²	37	39.7 Å²	39.7	14%	0.14	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.8	177.9	65.4	-179.4	70.8	-171.6	3.6	111.5	V45 E46 F516 L517 E527	V45-R530 CarbonylContact C-O 3.54Å; V45-R530 VanDerWaalsContact CA-O 3.31Å; V45-R530 WeakPolarHBondContact CA-O 3.12Å; E46-R530 HydrophobicContact CB-CG 3.97Å; E46-R530 PolarHBondContact N-O 3.09Å; E46-R530 PolarHBondContact O-N 3.08Å; F516-R530 HydrophobicContact CB-CB 4.42Å; F516-R530 HydrophobicContact CD2-CB 3.76Å; F516-R530 HydrophobicContact CE2-CB 4.37Å; F516-R530 HydrophobicContact CD2-CG 4.44Å; F516-R530 HydrophobicContact CG-CB 4.31Å; L517-R530 CarbonylContact O-C 3.55Å; L517-R530 WeakPolarHBondContact O-CA 3.48Å; L517-R530 WeakPolarHBondContact O-CB 3.35Å; E527-R530 IonicContact OE1-CZ 3.65Å; E527-R530 PolarHBondContact OE2-NH2 2.93Å; E527-R530 IonicContact OE2-NH2 2.69Å; E527-R530 IonicContact OE2-NE 2.66Å; E527-R530 IonicContact OE2-CZ 2.75Å; E527-R530 PolarHBondContact OE1-NH2 2.71Å; E527-R530 IonicContact OE1-NH2 2.87Å; E527-R530 PolarHBondContact OE1-NE 3.26Å; E527-R530 IonicContact OE1-NE 3.51Å
531	A	98.6	Very high	96.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	105.1	173.4	0	0	0	0	0	109.8	T43 V45 I49 V92 F516 L517	T43-A531 HydrophobicContact CG2-CB 4.37Å; T43-A531 WeakPolarHBondContact OG1-CB 3.42Å; V45-A531 HydrophobicContact CG2-CB 4.28Å; I49-A531 HydrophobicContact CD1-CB 4.19Å; V92-A531 HydrophobicContact CB-CB 3.69Å; V92-A531 HydrophobicContact CG1-CB 4.06Å; V92-A531 HydrophobicContact CG2-CB 3.77Å; F516-A531 CarbonylContact C-O 3.58Å; F516-A531 VanDerWaalsContact CA-O 3.23Å; F516-A531 WeakPolarHBondContact CA-O 3.35Å; F516-A531 WeakPolarHBondContact CB-O 3.42Å; L517-A531 PolarHBondContact N-O 3.44Å; L517-A531 PolarHBondContact O-N 3.17Å; L517-A531 HydrophobicContact CB-CB 4.28Å
532	N	98.1	Very high	96.9	Very high	32 Å²	32	38.4 Å²	38.4	17%	0.171	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.8	179.2	-66.2	-68.6	0	0	0	110.8	T43 T44 E46	T43-N532 VanDerWaalsContact CA-O 3.29Å; T43-N532 WeakPolarHBondContact CA-O 3.44Å; T43-N532 WeakPolarHBondContact CB-O 3.4Å; T44-N532 PolarHBondContact N-O 3.3Å; T44-N532 PolarHBondContact O-N 3.15Å; T44-N532 PolarHBondContact O-ND2 2.81Å; E46-N532 VanDerWaalsContact CD-ND2 3.31Å; E46-N532 PolarHBondContact OE1-ND2 3.29Å
533	V	96.9	Very high	96.6	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.03	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.4	-178.9	-168.4	0	0	0	0	109.6	I41 T43 F85 Y94 T515 V535 M537	I41-V533 HydrophobicContact CD1-CG1 4.19Å; T43-V533 HydrophobicContact CG2-CG2 3.97Å; F85-V533 HydrophobicContact CD1-CG2 4.4Å; F85-V533 HydrophobicContact CE1-CG2 3.6Å; F85-V533 HydrophobicContact CZ-CG2 4.43Å; Y94-V533 HydrophobicContact CD1-CG1 3.6Å; Y94-V533 HydrophobicContact CD2-CG1 4.25Å; Y94-V533 HydrophobicContact CE1-CG1 4.19Å; Y94-V533 HydrophobicContact CG-CG1 3.61Å; T515-V533 PolarHBondContact O-N 2.86Å; V533-V535 HydrophobicContact CG1-CG2 3.75Å; V533-V535 PolarHBondContact O-N 2.86Å; V533-M537 HydrophobicContact CB-CE 3.73Å; V533-M537 HydrophobicContact CG1-CE 3.57Å; V533-M537 HydrophobicContact CG2-CE 3.85Å
534	P	94.8	Very high	96.6	Very high	100 Å²	100	35.3 Å²	35.3	65%	0.649	20%	0.196	S	C	*	.	S	Bend	trans	-82.6	36.7	-175	36.1	-37.7	0	0	0	112.9	I41	I41-P534 HydrophobicContact CD1-CG 3.86Å
535	V	93.8	Very high	96.5	Very high	40 Å²	40	34.5 Å²	34.5	24%	0.242	19%	0.187	C	C	.	.	S	Bend	trans	-141.8	154.8	173.9	-59	0	0	0	0	111.1	I41 Y94 V533 M537	I41-V535 HydrophobicContact CD1-CG1 3.98Å; Y94-V535 HydrophobicContact CD1-CG2 4Å; Y94-V535 HydrophobicContact CE1-CG2 3.45Å; Y94-V535 VanDerWaalsContact CE1-CG2 3.45Å; V533-V535 HydrophobicContact CG1-CG2 3.75Å; V533-V535 PolarHBondContact O-N 2.86Å; V535-M537 HydrophobicContact CG2-CE 4.29Å
536	N	91.6	Very high	96.4	Very high	121 Å²	121	34.6 Å²	34.6	65%	0.647	19%	0.189	S	C	*	.			trans	-78.2	149.8	172	-65.8	-29.3	0	0	0	110.7	V34	V34-N536 HydrophobicContact CG1-CB 4.39Å
537	M	95.4	Very high	96.1	Very high	10 Å²	10	31.5 Å²	31.5	5%	0.049	19%	0.186	C	C	.	.			trans	-132.9	145.6	174.7	-56.2	179.9	-159.4	0	0	109.5	F85 Y94 V505 L507 T515 V533 V535	F85-M537 HydrophobicContact CE1-CE 4.25Å; F85-M537 HydrophobicContact CZ-CE 3.75Å; F85-M537 HydrophobicContact CZ-SD 3.97Å; Y94-M537 HydrophobicContact CD1-CE 4.43Å; Y94-M537 HydrophobicContact CD2-CE 3.71Å; Y94-M537 HydrophobicContact CE1-CE 4.07Å; Y94-M537 HydrophobicContact CE2-CE 3.25Å; Y94-M537 HydrophobicContact CE2-SD 3.79Å; Y94-M537 HydrophobicContact CG-CE 4.26Å; Y94-M537 VanDerWaalsContact CZ-CE 3.44Å; V505-M537 HydrophobicContact CG1-SD 3.94Å; L507-M537 HydrophobicContact CD2-CB 3.66Å; T515-M537 HydrophobicContact CG2-CE 3.8Å; T515-M537 HydrophobicContact CG2-CG 4.18Å; T515-M537 HydrophobicContact CG2-SD 3.85Å; V533-M537 HydrophobicContact CB-CE 3.73Å; V533-M537 HydrophobicContact CG1-CE 3.57Å; V533-M537 HydrophobicContact CG2-CE 3.85Å; V535-M537 HydrophobicContact CG2-CE 4.29Å
538	A	95.7	Very high	95.6	Very high	6 Å²	6	29.6 Å²	29.6	5%	0.05	18%	0.181	C	C	.	.			trans	-78.7	154.6	170.3	0	0	0	0	0	110.6	L30 V34 P62 F65 G540	L30-A538 WeakPolarHBondContact O-CA 3.47Å; V34-A538 HydrophobicContact CG1-CB 4.4Å; V34-A538 HydrophobicContact CG2-CB 4.17Å; P62-A538 VanDerWaalsContact O-CB 3.24Å; P62-A538 WeakPolarHBondContact O-CB 3.3Å; F65-A538 HydrophobicContact CE2-CB 4.06Å; A538-G540 PolarHBondContact O-N 3.02Å
539	Y	96.7	Very high	93.9	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	23%	0.225	C	C	.	.			trans	-72.8	117	177.3	-158.7	-67.1	0	0	0	110.7	L30 W75 V459 G460 P483 L507	L30-Y539 HydrophobicContact CD1-CD2 4.3Å; L30-Y539 PolarHBondContact O-N 3.15Å; W75-Y539 HydrophobicContact CH2-CD1 4Å; W75-Y539 HydrophobicContact CH2-CE1 4.24Å; W75-Y539 AromaticContact CZ2-CD1 3.66Å; W75-Y539 HydrophobicContact CZ2-CD1 3.66Å; W75-Y539 HydrophobicContact CZ2-CE1 4.33Å; W75-Y539 HydrophobicContact CZ2-CG 4.48Å; W75-Y539 PolarHBondContact NE1-O 2.95Å; V459-Y539 HydrophobicContact CB-CD1 4.45Å; V459-Y539 HydrophobicContact CB-CD2 4.14Å; V459-Y539 HydrophobicContact CB-CE1 4.11Å; V459-Y539 HydrophobicContact CB-CE2 3.79Å; V459-Y539 HydrophobicContact CB-CG 4.46Å; V459-Y539 HydrophobicContact CG1-CD1 4.34Å; V459-Y539 HydrophobicContact CG1-CD2 4.47Å; V459-Y539 HydrophobicContact CG1-CE1 4.41Å; V459-Y539 HydrophobicContact CG1-CG 4.37Å; V459-Y539 HydrophobicContact CG2-CD2 4Å; V459-Y539 HydrophobicContact CG2-CE2 3.77Å; G460-Y539 VanDerWaalsContact CA-OH 3.28Å; G460-Y539 WeakPolarHBondContact CA-OH 3.44Å; G460-Y539 PolarHBondContact N-OH 3.36Å; P483-Y539 PolarHBondContact O-OH 2.66Å; L507-Y539 HydrophobicContact CD1-CD2 3.6Å; L507-Y539 HydrophobicContact CD1-CE2 4.41Å; L507-Y539 HydrophobicContact CD1-CG 3.9Å
540	G	94.6	Very high	93.6	Very high	9 Å²	9	37.6 Å²	37.6	9%	0.093	24%	0.236	C	C	.	.			trans	-100.6	-170.1	-179.8	0	0	0	0	0	115	A538	A538-G540 PolarHBondContact O-N 3.02Å
541	F	95.1	Very high	93.4	Very high	10 Å²	10	37.6 Å²	37.6	4%	0.044	24%	0.241	C	C	.	.			trans	-108.9	-80.7	-174.4	-53.2	-60.4	0	0	0	112.3	R59 N60 P62 W75 F76 S148	R59-F541 VanDerWaalsContact NH2-C 3.29Å; R59-F541 PolarHBondContact NH2-O 3.47Å; N60-F541 PolarHBondContact O-N 2.92Å; P62-F541 VanDerWaalsContact CD-CE2 3.44Å; P62-F541 HydrophobicContact CG-CE2 4.15Å; P62-F541 HydrophobicContact CG-CZ 4.06Å; W75-F541 AromaticContact CD2-CE1 3.58Å; W75-F541 HydrophobicContact CD2-CE1 3.58Å; W75-F541 AromaticContact CD2-CZ 3.92Å; W75-F541 HydrophobicContact CD2-CZ 3.92Å; W75-F541 AromaticContact CE2-CE1 3.4Å; W75-F541 VanDerWaalsContact CE2-CE1 3.4Å; W75-F541 AromaticContact CE2-CZ 3.82Å; W75-F541 AromaticContact CE3-CE1 3.66Å; W75-F541 HydrophobicContact CE3-CE1 3.66Å; W75-F541 HydrophobicContact CE3-CZ 4.35Å; W75-F541 HydrophobicContact CG-CE1 4.35Å; W75-F541 HydrophobicContact CG-CZ 4.22Å; W75-F541 AromaticContact CH2-CD1 3.78Å; W75-F541 HydrophobicContact CH2-CD1 3.78Å; W75-F541 AromaticContact CH2-CE1 3.45Å; W75-F541 HydrophobicContact CH2-CE1 3.45Å; W75-F541 VanDerWaalsContact CH2-CE1 3.45Å; W75-F541 AromaticContact CZ2-CD1 3.81Å; W75-F541 HydrophobicContact CZ2-CD1 3.81Å; W75-F541 AromaticContact CZ2-CE1 3.32Å; W75-F541 HydrophobicContact CZ2-CE1 3.32Å; W75-F541 HydrophobicContact CZ2-CZ 4.14Å; W75-F541 HydrophobicContact CZ3-CD1 4.23Å; W75-F541 AromaticContact CZ3-CE1 3.62Å; W75-F541 HydrophobicContact CZ3-CE1 3.62Å; F76-F541 AromaticContact CD1-CE1 3.98Å; F76-F541 HydrophobicContact CD1-CE1 3.98Å; F76-F541 HydrophobicContact CD1-CE2 4.37Å; F76-F541 AromaticContact CD1-CZ 3.59Å; F76-F541 HydrophobicContact CD1-CZ 3.59Å; F76-F541 AromaticContact CE1-CE1 4Å; F76-F541 HydrophobicContact CE1-CE1 4Å; F76-F541 HydrophobicContact CE1-CZ 4.09Å; S148-F541 WeakPolarHBondContact O-CD2 3.17Å
542	H	98.1	Very high	93.1	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.028	25%	0.254	C	S	.	.			trans	-114.6	155.9	-169.7	-58.1	-72.4	0	0	0	113.5	N60 V149 H195 H326 F434 E485	N60-H542 PolarHBondContact N-O 2.9Å; V149-H542 PolarHBondContact O-CD2 3.47Å; V149-H542 PolarHBondContact O-N 2.93Å; H195-H542 AromaticContact CE1-CD2 3.68Å; H195-H542 AromaticContact CE1-CE1 3.49Å; H195-H542 PolarHBondContact CE1-CE1 3Å; H195-H542 VanDerWaalsContact CE1-CE1 3.49Å; H195-H542 AromaticContact CE1-CG 3.98Å; H195-H542 AromaticContact CE1-ND1 3.87Å; H195-H542 AromaticContact CE1-NE2 3.38Å; H195-H542 PolarHBondContact CE1-NE2 3.48Å; H195-H542 AromaticContact NE2-CD2 3.98Å; H195-H542 AromaticContact NE2-NE2 3.64Å; H326-H542 AromaticContact CE1-CE1 3.93Å; H326-H542 AromaticContact NE2-CE1 3.22Å; H326-H542 PolarHBondContact NE2-CE1 3.13Å; H326-H542 AromaticContact NE2-NE2 3.54Å; F434-H542 AromaticContact CD1-CE1 3.45Å; F434-H542 VanDerWaalsContact CD1-CE1 3.45Å; F434-H542 WeakPolarHBondContact CD1-CE1 3.49Å; F434-H542 AromaticContact CD1-ND1 3.91Å; F434-H542 AromaticContact CE1-CE1 3.48Å; F434-H542 VanDerWaalsContact CE1-CE1 3.48Å; F434-H542 WeakPolarHBondContact CE1-CE1 3.28Å; F434-H542 AromaticContact CE1-NE2 3.87Å; E485-H542 IonicContact OE1-CE1 2.7Å; E485-H542 IonicContact OE1-ND1 2.89Å; E485-H542 PolarHBondContact OE1-ND1 3.03Å; E485-H542 WeakPolarHBondContact OE2-CA 3.31Å; E485-H542 IonicContact OE2-CG 3.48Å; E485-H542 IonicContact OE2-ND1 3.88Å
543	G	92.9	Very high	92.8	Very high	10 Å²	10	40.2 Å²	40.2	10%	0.103	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	169.8	174.8	0	0	0	0	0	113.7	L58 E485	L58-G543 CarbonylContact O-C 3.53Å; L58-G543 WeakPolarHBondContact O-CA 3.48Å; E485-G543 PolarHBondContact OE2-N 3.06Å
544	A	96.4	Very high	92.5	Very high	23 Å²	23	42.4 Å²	42.4	19%	0.19	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	148.2	173.1	0	0	0	0	0	109.6	L58 F151	L58-A544 PolarHBondContact N-O 2.86Å; L58-A544 PolarHBondContact O-N 3.37Å; F151-A544 HydrophobicContact CB-CB 4.01Å
545	F	97.6	Very high	92.4	Very high	42 Å²	42	38.5 Å²	38.5	18%	0.184	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.3	169.6	-173.5	-103.1	0	0	0	109.8	I53 F57 I87 V487 V489 L503 A547	I53-F545 HydrophobicContact CG2-CE2 4Å; I53-F545 HydrophobicContact CG2-CZ 3.84Å; F57-F545 HydrophobicContact CB-CD2 4.14Å; I87-F545 HydrophobicContact CD1-CE2 4.47Å; V487-F545 HydrophobicContact CG1-CB 4.17Å; V489-F545 HydrophobicContact CB-CD1 4.46Å; V489-F545 HydrophobicContact CG1-CD1 3.72Å; V489-F545 HydrophobicContact CG1-CE1 3.68Å; V489-F545 HydrophobicContact CG1-CG 4.32Å; V489-F545 HydrophobicContact CG1-CZ 4.25Å; V489-F545 HydrophobicContact CG2-CB 3.84Å; V489-F545 HydrophobicContact CG2-CD1 3.85Å; V489-F545 HydrophobicContact CG2-CD2 3.96Å; V489-F545 HydrophobicContact CG2-CE1 4.41Å; V489-F545 HydrophobicContact CG2-CG 3.59Å; L503-F545 HydrophobicContact CD1-CD2 3.75Å; L503-F545 HydrophobicContact CD1-CE2 4.09Å; F545-A547 HydrophobicContact CD1-CB 4.38Å; F545-A547 HydrophobicContact CE1-CB 3.97Å
546	S	96	Very high	92.3	Very high	11 Å²	11	38.4 Å²	38.4	8%	0.077	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	98.5	172.2	-176.1	0	0	0	0	109.2	G55 N56 Y158	G55-S546 CarbonylContact C-O 3.51Å; G55-S546 VanDerWaalsContact CA-O 3.29Å; G55-S546 WeakPolarHBondContact CA-O 3.22Å; N56-S546 PolarHBondContact N-O 2.77Å; N56-S546 PolarHBondContact O-N 2.8Å; Y158-S546 WeakPolarHBondContact CE2-OG 3.39Å; Y158-S546 WeakPolarHBondContact OH-CA 3.46Å; Y158-S546 WeakPolarHBondContact OH-CB 3.19Å; Y158-S546 PolarHBondContact OH-OG 3.26Å
547	A	92.6	Very high	92.4	Very high	69 Å²	69	32.1 Å²	32.1	57%	0.57	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60	138.1	174.8	0	0	0	0	0	111.1	F545	F545-A547 HydrophobicContact CD1-CB 4.38Å; F545-A547 HydrophobicContact CE1-CB 3.97Å
548	S	86.3	Confident	92.1	Very high	29 Å²	29	33.9 Å²	33.9	20%	0.203	23%	0.232	C	C	.	.			trans	-88.8	145.3	167.3	-66.7	0	0	0	0	109.4	N54	N54-S548 PolarHBondContact O-N 3.48Å
549	P	63.2	Low	91.8	Very high	191 Å²	191	36.5 Å²	36.5	100%	1.24	25%	0.249	S	C	*	.			trans	-57.4	0	176.5	-21.3	31.8	0	0	0	114.3	N54	N54-P549 PolarHBondContact ND2-O 3.14Å

Retrieved 549 of 549 residues in 291 ms (Link to these results)

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