A0A087XL03_POEFO Loading...

Lectin, mannose-binding 2

AlphaFold DB , UniProt , Accession A0A087XL03, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 344 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	38.1	Very low	242 Å²	242	157.7 Å²	157.7	100%	1.192	88%	0.883	S	S	*	*				0	108.8	0	-74.3	175.4	-160.6	0	0	109
2	R	28.5	Very low	38.3	Very low	255 Å²	255	156.2 Å²	156.2	96%	0.962	87%	0.867	S	S	*	*			trans	-159.8	114	153.3	-110.5	173.9	-168.8	-171.9	2.6	107.3
3	A	33.1	Very low	38.8	Very low	98 Å²	98	150.3 Å²	150.3	81%	0.81	84%	0.843	S	S	*	*			trans	-81.7	144.1	-178.8	0	0	0	0	0	110.4
4	S	36.7	Very low	39.4	Very low	119 Å²	119	142.8 Å²	142.8	83%	0.832	82%	0.816	S	S	*	*			trans	-65.7	138.2	165.5	-69.7	0	0	0	0	111.4
5	T	35.8	Very low	40	Very low	147 Å²	147	142.5 Å²	142.5	90%	0.902	80%	0.802	S	S	*	*			trans	-123.4	117.3	153.9	46.7	0	0	0	0	108.1
6	C	40.9	Very low	40.5	Very low	134 Å²	134	143.3 Å²	143.3	91%	0.905	79%	0.794	S	S	*	*			trans	-125.1	141.1	176.5	-169.8	0	0	0	0	108
7	G	43.8	Very low	41.4	Very low	72 Å²	72	139.6 Å²	139.6	74%	0.742	78%	0.776	S	S	*	*			trans	93.9	93.6	156.6	0	0	0	0	0	116.7
8	C	39.7	Very low	42.2	Very low	126 Å²	126	139.1 Å²	139.1	85%	0.851	77%	0.765	S	S	*	*	S	Bend	trans	-167.1	18.5	145.5	-124.5	0	0	0	0	115.7
9	F	38.4	Very low	42.9	Very low	190 Å²	190	136.7 Å²	136.7	83%	0.833	75%	0.751	S	S	*	*	S	Bend	trans	-107.3	-13.7	-175	-113.3	-94	0	0	0	116
10	D	43.5	Very low	43.7	Very low	154 Å²	154	133.1 Å²	133.1	82%	0.824	74%	0.736	S	S	*	*	S	Bend	trans	-92	-11.8	-173.2	-71.6	-38.1	0	0	0	115.9
11	K	40.9	Very low	44.3	Very low	198 Å²	198	130 Å²	130	86%	0.861	72%	0.723	S	S	*	*	H	α-helix	trans	-82.9	-20.5	-179.5	-103.3	179.2	177.1	178.1	0	114.6
12	M	40.2	Very low	45.3	Very low	139 Å²	139	122.1 Å²	122.1	69%	0.685	69%	0.685	S	S	*	*	H	α-helix	trans	-85.2	-17.3	-178.8	-96.6	162.8	59.9	0	0	113.9
13	S	45.7	Very low	46.6	Very low	80 Å²	80	116.7 Å²	116.7	56%	0.559	67%	0.669	S	S	*	*	H	α-helix	trans	-76.3	-46	177.9	-175.3	0	0	0	0	111.7	F15 K16 T17	S13-F15 VanDerWaalsContact C-N 3.33Å; S13-F15 PolarHBondContact O-N 3.46Å; S13-K16 PolarHBondContact O-N 2.61Å; S13-T17 PolarHBondContact O-N 3.04Å; S13-T17 PolarHBondContact O-OG1 3.12Å
14	G	46.3	Very low	47.7	Very low	45 Å²	45	116.5 Å²	116.5	46%	0.464	65%	0.653	S	S	.	*	H	α-helix	trans	-66	-28.3	-178.9	0	0	0	0	0	115.1	T17 F18	G14-T17 WeakPolarHBondContact CA-OG1 3.36Å; G14-T17 PolarHBondContact O-OG1 3.16Å; G14-T17 VanDerWaalsContact O-OG1 3.08Å; G14-F18 WeakPolarHBondContact O-CB 3.43Å; G14-F18 PolarHBondContact O-N 3.1Å
15	F	48.7	Very low	48.5	Very low	138 Å²	138	118 Å²	118	61%	0.605	65%	0.645	S	S	*	*	H	α-helix	trans	-76.7	-33.7	179.3	-162.2	-105.9	0	0	0	112.3	S13 L19	S13-F15 VanDerWaalsContact C-N 3.33Å; S13-F15 PolarHBondContact O-N 3.46Å; F15-L19 HydrophobicContact CD1-CD1 3.64Å; F15-L19 HydrophobicContact CD1-CG 4.5Å; F15-L19 HydrophobicContact CE1-CD1 3.47Å; F15-L19 VanDerWaalsContact CE1-CD1 3.47Å; F15-L19 HydrophobicContact CE1-CG 4.33Å; F15-L19 HydrophobicContact CZ-CD1 4.25Å; F15-L19 WeakPolarHBondContact O-CB 3.22Å; F15-L19 WeakPolarHBondContact O-CG 3.48Å; F15-L19 PolarHBondContact O-N 3.46Å; F15-L19 VanDerWaalsContact O-N 3.11Å
16	K	48.7	Very low	49.1	Very low	155 Å²	155	117.6 Å²	117.6	67%	0.674	63%	0.631	S	S	*	*	H	α-helix	trans	-71.1	-39.1	175.8	-76.1	-176	174.9	-175.9	0	112.1	S13 S20	S13-K16 PolarHBondContact O-N 2.61Å; K16-S20 VanDerWaalsContact O-CB 3.3Å; K16-S20 WeakPolarHBondContact O-CB 3.31Å; K16-S20 PolarHBondContact O-N 3.47Å
17	T	55.7	Low	49.5	Very low	81 Å²	81	115.5 Å²	115.5	50%	0.497	61%	0.61	S	S	.	*	H	α-helix	trans	-70	-34.6	176.5	42.2	0	0	0	0	112.6	S13 G14 S21	S13-T17 PolarHBondContact O-N 3.04Å; S13-T17 PolarHBondContact O-OG1 3.12Å; G14-T17 WeakPolarHBondContact CA-OG1 3.36Å; G14-T17 PolarHBondContact O-OG1 3.16Å; G14-T17 VanDerWaalsContact O-OG1 3.08Å; T17-S21 WeakPolarHBondContact O-CB 3.16Å; T17-S21 PolarHBondContact O-N 3.41Å; T17-S21 PolarHBondContact O-OG 3.38Å
18	F	56.1	Low	49.6	Very low	131 Å²	131	116 Å²	116	58%	0.575	60%	0.598	S	S	*	*	H	α-helix	trans	-68	-45	174.6	-169.9	-105.9	0	0	0	112.5	G14 S20 S21 I22	G14-F18 WeakPolarHBondContact O-CB 3.43Å; G14-F18 PolarHBondContact O-N 3.1Å; F18-S20 PolarHBondContact O-N 2.83Å; F18-S21 PolarHBondContact O-N 3.12Å; F18-I22 HydrophobicContact CD1-CD1 3.72Å; F18-I22 HydrophobicContact CE1-CD1 3.34Å; F18-I22 HydrophobicContact CE1-CG1 4.46Å; F18-I22 HydrophobicContact CG-CD1 4.48Å; F18-I22 HydrophobicContact CZ-CD1 3.81Å; F18-I22 WeakPolarHBondContact O-CG1 3.23Å; F18-I22 PolarHBondContact O-N 3.34Å
19	L	54.2	Low	49.8	Very low	94 Å²	94	115.9 Å²	115.9	49%	0.492	59%	0.585	S	S	.	*	H	α-helix	trans	-63.9	-38.9	174.7	-78.4	166.4	0	0	0	112.5	F15 S21 I22 F23	F15-L19 HydrophobicContact CD1-CD1 3.64Å; F15-L19 HydrophobicContact CD1-CG 4.5Å; F15-L19 HydrophobicContact CE1-CD1 3.47Å; F15-L19 VanDerWaalsContact CE1-CD1 3.47Å; F15-L19 HydrophobicContact CE1-CG 4.33Å; F15-L19 HydrophobicContact CZ-CD1 4.25Å; F15-L19 WeakPolarHBondContact O-CB 3.22Å; F15-L19 WeakPolarHBondContact O-CG 3.48Å; F15-L19 PolarHBondContact O-N 3.46Å; F15-L19 VanDerWaalsContact O-N 3.11Å; L19-S21 VanDerWaalsContact C-N 3.34Å; L19-I22 PolarHBondContact O-N 3.36Å; L19-F23 WeakPolarHBondContact O-CB 3.44Å; L19-F23 PolarHBondContact O-N 3.3Å
20	S	59.6	Low	49.8	Very low	64 Å²	64	110.8 Å²	110.8	45%	0.448	57%	0.573	S	S	.	*	H	α-helix	trans	-62.8	-41.4	174.8	-167.7	0	0	0	0	111.6	K16 F18 F23 I24	K16-S20 VanDerWaalsContact O-CB 3.3Å; K16-S20 WeakPolarHBondContact O-CB 3.31Å; K16-S20 PolarHBondContact O-N 3.47Å; F18-S20 PolarHBondContact O-N 2.83Å; S20-F23 PolarHBondContact O-N 3.49Å; S20-I24 WeakPolarHBondContact O-CB 3.5Å; S20-I24 WeakPolarHBondContact O-CD1 3.31Å; S20-I24 WeakPolarHBondContact O-CG1 3.45Å; S20-I24 PolarHBondContact O-N 3.05Å
21	S	57	Low	49.6	Very low	67 Å²	67	107.9 Å²	107.9	47%	0.469	56%	0.563	S	S	.	*	H	α-helix	trans	-69.1	-37.4	179.9	-57.7	0	0	0	0	112.5	T17 F18 L19 F25	T17-S21 WeakPolarHBondContact O-CB 3.16Å; T17-S21 PolarHBondContact O-N 3.41Å; T17-S21 PolarHBondContact O-OG 3.38Å; F18-S21 PolarHBondContact O-N 3.12Å; L19-S21 VanDerWaalsContact C-N 3.34Å; S21-F25 WeakPolarHBondContact O-CB 3.22Å; S21-F25 PolarHBondContact O-N 2.76Å
22	I	58.2	Low	49.4	Very low	78 Å²	78	105.1 Å²	105.1	40%	0.4	56%	0.557	S	S	.	*	H	α-helix	trans	-67.4	-40.3	173.8	-69.2	169.8	0	0	0	110.9	F18 L19 F25 F26	F18-I22 HydrophobicContact CD1-CD1 3.72Å; F18-I22 HydrophobicContact CE1-CD1 3.34Å; F18-I22 HydrophobicContact CE1-CG1 4.46Å; F18-I22 HydrophobicContact CG-CD1 4.48Å; F18-I22 HydrophobicContact CZ-CD1 3.81Å; F18-I22 WeakPolarHBondContact O-CG1 3.23Å; F18-I22 PolarHBondContact O-N 3.34Å; L19-I22 PolarHBondContact O-N 3.36Å; I22-F25 PolarHBondContact O-N 2.94Å; I22-F26 HydrophobicContact CG2-CD2 4.44Å; I22-F26 WeakPolarHBondContact O-CB 3.44Å; I22-F26 PolarHBondContact O-N 3.16Å
23	F	54.7	Low	49.4	Very low	141 Å²	141	103.5 Å²	103.5	62%	0.618	56%	0.555	S	S	*	*	H	α-helix	trans	-67.4	-37	178.5	-158	-100.5	0	0	0	112	L19 S20 L27	L19-F23 WeakPolarHBondContact O-CB 3.44Å; L19-F23 PolarHBondContact O-N 3.3Å; S20-F23 PolarHBondContact O-N 3.49Å; F23-L27 HydrophobicContact CD1-CD1 3.57Å; F23-L27 HydrophobicContact CD1-CG 4.24Å; F23-L27 HydrophobicContact CE1-CD1 3.65Å; F23-L27 HydrophobicContact CE1-CG 4.23Å; F23-L27 VanDerWaalsContact O-CB 3.32Å; F23-L27 WeakPolarHBondContact O-CB 3.45Å; F23-L27 VanDerWaalsContact O-CG 3.29Å; F23-L27 WeakPolarHBondContact O-CG 3.33Å; F23-L27 PolarHBondContact O-N 3Å
24	I	56.8	Low	49.2	Very low	94 Å²	94	102.8 Å²	102.8	48%	0.482	55%	0.554	S	S	.	*	H	α-helix	trans	-67.5	-42.9	173	-68.3	164.3	0	0	0	110.6	S20 L27 V28	S20-I24 WeakPolarHBondContact O-CB 3.5Å; S20-I24 WeakPolarHBondContact O-CD1 3.31Å; S20-I24 WeakPolarHBondContact O-CG1 3.45Å; S20-I24 PolarHBondContact O-N 3.05Å; I24-L27 PolarHBondContact O-N 3.35Å; I24-V28 HydrophobicContact CG2-CG2 4.36Å; I24-V28 WeakPolarHBondContact O-CB 3.27Å; I24-V28 VanDerWaalsContact O-CG2 3.23Å; I24-V28 WeakPolarHBondContact O-CG2 3.34Å; I24-V28 PolarHBondContact O-N 2.85Å
25	F	52.7	Low	49	Very low	149 Å²	149	102.6 Å²	102.6	65%	0.654	55%	0.545	S	S	*	.	H	α-helix	trans	-61.4	-45.2	174.1	-107.6	-89.6	0	0	0	111.7	S21 I22 L27 V28 E29	S21-F25 WeakPolarHBondContact O-CB 3.22Å; S21-F25 PolarHBondContact O-N 2.76Å; I22-F25 PolarHBondContact O-N 2.94Å; F25-L27 VanDerWaalsContact C-N 3.33Å; F25-L27 PolarHBondContact O-N 2.73Å; F25-V28 PolarHBondContact O-N 3.5Å; F25-E29 VanDerWaalsContact O-CB 3.28Å; F25-E29 WeakPolarHBondContact O-CB 3.5Å; F25-E29 PolarHBondContact O-N 2.74Å
26	F	49	Very low	49.1	Very low	140 Å²	140	102.9 Å²	102.9	61%	0.614	55%	0.553	S	S	*	*	H	α-helix	trans	-64.4	-34.9	175.9	-116.4	-88.6	0	0	0	112.9	I22 C30	I22-F26 HydrophobicContact CG2-CD2 4.44Å; I22-F26 WeakPolarHBondContact O-CB 3.44Å; I22-F26 PolarHBondContact O-N 3.16Å; F26-C30 WeakPolarHBondContact O-CB 3.44Å; F26-C30 PolarHBondContact O-N 3.49Å
27	L	49	Very low	49.7	Very low	90 Å²	90	96.9 Å²	96.9	47%	0.471	53%	0.528	S	S	.	.	H	α-helix	trans	-69.7	-39.8	174	-81.8	167.2	0	0	0	111.8	F23 I24 F25 C31	F23-L27 HydrophobicContact CD1-CD1 3.57Å; F23-L27 HydrophobicContact CD1-CG 4.24Å; F23-L27 HydrophobicContact CE1-CD1 3.65Å; F23-L27 HydrophobicContact CE1-CG 4.23Å; F23-L27 VanDerWaalsContact O-CB 3.32Å; F23-L27 WeakPolarHBondContact O-CB 3.45Å; F23-L27 VanDerWaalsContact O-CG 3.29Å; F23-L27 WeakPolarHBondContact O-CG 3.33Å; F23-L27 PolarHBondContact O-N 3Å; I24-L27 PolarHBondContact O-N 3.35Å; F25-L27 VanDerWaalsContact C-N 3.33Å; F25-L27 PolarHBondContact O-N 2.73Å; L27-C31 WeakPolarHBondContact O-CB 3.16Å; L27-C31 PolarHBondContact O-N 3.36Å; L27-C31 PolarHBondContact O-SG 2.62Å
28	V	47.3	Very low	50.1	Low	81 Å²	81	94.5 Å²	94.5	49%	0.491	51%	0.513	S	S	.	.	H	α-helix	trans	-68.2	-39.4	176.1	171.8	0	0	0	0	110.7	I24 F25 C31 L32	I24-V28 HydrophobicContact CG2-CG2 4.36Å; I24-V28 WeakPolarHBondContact O-CB 3.27Å; I24-V28 VanDerWaalsContact O-CG2 3.23Å; I24-V28 WeakPolarHBondContact O-CG2 3.34Å; I24-V28 PolarHBondContact O-N 2.85Å; F25-V28 PolarHBondContact O-N 3.5Å; V28-C31 PolarHBondContact O-N 2.62Å; V28-L32 HydrophobicContact CG1-CD1 4.47Å; V28-L32 WeakPolarHBondContact O-CG 3.48Å; V28-L32 PolarHBondContact O-N 3.13Å; V28-L32 VanDerWaalsContact O-N 3.08Å
29	E	43.9	Very low	50.4	Low	124 Å²	124	95.1 Å²	95.1	58%	0.579	52%	0.522	S	S	*	.	H	α-helix	trans	-75.9	-30.8	179.2	-146	153.8	-163.1	0	0	112	F25	F25-E29 VanDerWaalsContact O-CB 3.28Å; F25-E29 WeakPolarHBondContact O-CB 3.5Å; F25-E29 PolarHBondContact O-N 2.74Å
30	C	37.5	Very low	50.7	Low	84 Å²	84	91.7 Å²	91.7	57%	0.568	51%	0.51	S	S	*	.	H	α-helix	trans	-70.3	-35.6	166.8	-87	0	0	0	0	112.8	F26 L32 V33	F26-C30 WeakPolarHBondContact O-CB 3.44Å; F26-C30 PolarHBondContact O-N 3.49Å; C30-L32 VanDerWaalsContact C-N 3.3Å; C30-L32 PolarHBondContact O-N 3.25Å; C30-V33 PolarHBondContact O-N 3.2Å
31	C	38.6	Very low	51.1	Low	92 Å²	92	91.9 Å²	91.9	62%	0.622	51%	0.506	S	S	*	.	H	α-helix	trans	-68.7	-29	175.5	-78.1	0	0	0	0	112.5	L27 V28 V33 A34	L27-C31 WeakPolarHBondContact O-CB 3.16Å; L27-C31 PolarHBondContact O-N 3.36Å; L27-C31 PolarHBondContact O-SG 2.62Å; V28-C31 PolarHBondContact O-N 2.62Å; C31-V33 PolarHBondContact O-N 3.17Å; C31-A34 PolarHBondContact O-N 3.02Å
32	L	37.9	Very low	52	Low	141 Å²	141	93.9 Å²	93.9	74%	0.738	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-5.5	175.2	-69.7	171.9	0	0	0	113.7	V28 C30	V28-L32 HydrophobicContact CG1-CD1 4.47Å; V28-L32 WeakPolarHBondContact O-CG 3.48Å; V28-L32 PolarHBondContact O-N 3.13Å; V28-L32 VanDerWaalsContact O-N 3.08Å; C30-L32 VanDerWaalsContact C-N 3.3Å; C30-L32 PolarHBondContact O-N 3.25Å
33	V	39.3	Very low	53.2	Low	104 Å²	104	97.1 Å²	97.1	63%	0.63	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	16.1	172	-167.8	0	0	0	0	111.3	C30 C31 C35	C30-V33 PolarHBondContact O-N 3.2Å; C31-V33 PolarHBondContact O-N 3.17Å; V33-C35 PolarHBondContact O-N 3.47Å
34	A	41.2	Very low	55	Low	65 Å²	65	93.2 Å²	93.2	54%	0.537	51%	0.513	S	S	.	.	S	Bend	trans	-71.2	113	153	0	0	0	0	0	106.6	C31 D36	C31-A34 PolarHBondContact O-N 3.02Å; A34-D36 VanDerWaalsContact C-N 3.27Å; A34-D36 PolarHBondContact O-N 3.42Å
35	C	43.6	Very low	56.8	Low	42 Å²	42	90.7 Å²	90.7	28%	0.284	50%	0.5	S	S	.	.			trans	-58.7	99.8	162.3	-86.9	0	0	0	0	106.8	V33 I37 M215	V33-C35 PolarHBondContact O-N 3.47Å; C35-I37 PolarHBondContact O-N 3.2Å; C35-M215 HydrophobicContact CB-SD 4.23Å
36	D	50.5	Low	58.8	Low	144 Å²	144	86.1 Å²	86.1	77%	0.77	48%	0.48	S	S	*	.			trans	-68.6	85.8	170	-120.5	-1.8	0	0	0	106.4	A34	A34-D36 VanDerWaalsContact C-N 3.27Å; A34-D36 PolarHBondContact O-N 3.42Å
37	I	60.4	Low	60.9	Low	28 Å²	28	88.7 Å²	88.7	14%	0.144	49%	0.485	C	S	.	.			trans	-62.5	135.3	163.8	-59.1	173.9	0	0	0	105.3	C35 D39 E100 M215 W224	C35-I37 PolarHBondContact O-N 3.2Å; I37-D39 PolarHBondContact O-N 3.37Å; I37-E100 VanDerWaalsContact CG2-OE1 3.28Å; I37-E100 WeakPolarHBondContact CG2-OE1 3.37Å; I37-M215 HydrophobicContact CD1-CB 4.28Å; I37-M215 HydrophobicContact CD1-CE 3.49Å; I37-M215 VanDerWaalsContact CD1-CE 3.49Å; I37-M215 HydrophobicContact CD1-CG 4.31Å; I37-M215 HydrophobicContact CD1-SD 3.26Å; I37-M215 WeakPolarHBondContact CD1-SD 3.17Å; I37-M215 HydrophobicContact CG1-CE 3.43Å; I37-M215 VanDerWaalsContact CG1-CE 3.43Å; I37-M215 HydrophobicContact CG1-SD 3.54Å; I37-M215 VanDerWaalsContact CG1-SD 3.54Å; I37-W224 HydrophobicContact CD1-CB 3.27Å; I37-W224 HydrophobicContact CD1-CD2 3.82Å; I37-W224 HydrophobicContact CD1-CG 3.17Å
38	T	65.3	Low	63	Low	31 Å²	31	87.8 Å²	87.8	19%	0.19	48%	0.479	C	S	.	.			trans	-57.3	134	176.4	64.1	0	0	0	0	108.9	G40 E100 H102 L264	T38-G40 PolarHBondContact O-N 3.32Å; T38-E100 WeakPolarHBondContact CB-OE1 3.1Å; T38-E100 PolarHBondContact N-OE1 2.84Å; T38-E100 PolarHBondContact OG1-OE1 2.93Å; T38-H102 PolarHBondContact O-CE1 2.92Å; T38-L264 HydrophobicContact CG2-CD2 3.44Å; T38-L264 VanDerWaalsContact CG2-CD2 3.44Å
39	D	61.5	Low	65.3	Low	144 Å²	144	84.4 Å²	84.4	77%	0.77	46%	0.458	S	S	*	.			trans	-65.7	8.2	177.3	66.7	-15.2	0	0	0	113.4	I37 N41	I37-D39 PolarHBondContact O-N 3.37Å; D39-N41 VanDerWaalsContact C-N 3.32Å; D39-N41 WeakPolarHBondContact OD1-CB 3.25Å; D39-N41 PolarHBondContact OD1-N 3.19Å
40	G	60.8	Low	67.8	Low	23 Å²	23	78.9 Å²	78.9	24%	0.237	43%	0.433	C	S	.	.			trans	75.6	18.1	-173.6	0	0	0	0	0	113.3	T38 T42	T38-G40 PolarHBondContact O-N 3.32Å; G40-T42 PolarHBondContact O-N 3.15Å
41	N	67.3	Low	70.6	Confident	67 Å²	67	74.9 Å²	74.9	36%	0.358	41%	0.406	S	S	.	.			trans	-53.1	123.8	174.3	-178.1	4.4	0	0	0	110.8	D39 E43	D39-N41 VanDerWaalsContact C-N 3.32Å; D39-N41 WeakPolarHBondContact OD1-CB 3.25Å; D39-N41 PolarHBondContact OD1-N 3.19Å; N41-E43 PolarHBondContact O-N 2.63Å; N41-E43 VanDerWaalsContact O-N 3.12Å; N41-E43 PolarHBondContact OD1-N 3.05Å
42	T	77.6	Confident	73.2	Confident	109 Å²	109	73.3 Å²	73.3	67%	0.669	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-65	-15.1	-175.6	56.1	0	0	0	0	114.3	G40 H44 L45	G40-T42 PolarHBondContact O-N 3.15Å; T42-H44 VanDerWaalsContact C-N 3.28Å; T42-H44 PolarHBondContact O-N 3.08Å; T42-L45 WeakPolarHBondContact O-CB 3.33Å; T42-L45 PolarHBondContact O-N 2.81Å
43	E	82.9	Confident	75.7	Confident	146 Å²	146	73.6 Å²	73.6	68%	0.682	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-60.2	-36.4	-178.9	-173.9	173	-179.8	0	0	112.8	N41	N41-E43 PolarHBondContact O-N 2.63Å; N41-E43 VanDerWaalsContact O-N 3.12Å; N41-E43 PolarHBondContact OD1-N 3.05Å
44	H	91.4	Very high	78.1	Confident	60 Å²	60	72.2 Å²	72.2	28%	0.278	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-100.6	4.7	-178.1	-57.8	-50.9	0	0	0	113.9	T42 K46 Y262 Q263	T42-H44 VanDerWaalsContact C-N 3.28Å; T42-H44 PolarHBondContact O-N 3.08Å; H44-K46 PolarHBondContact O-N 3.1Å; H44-Y262 WeakPolarHBondContact O-CA 3.25Å; H44-Q263 WeakPolarHBondContact CB-O 3.41Å; H44-Q263 PolarHBondContact O-N 2.77Å
45	L	94.9	Very high	80.3	Confident	41 Å²	41	69.8 Å²	69.8	22%	0.215	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	124.6	-179.7	179.8	70.3	0	0	0	111.3	T42 K260 Y262	T42-L45 WeakPolarHBondContact O-CB 3.33Å; T42-L45 PolarHBondContact O-N 2.81Å; L45-K260 HydrophobicContact CD1-CB 3.81Å; L45-K260 HydrophobicContact CD1-CG 4.31Å; L45-Y262 HydrophobicContact CB-CD1 4.09Å; L45-Y262 HydrophobicContact CB-CE1 3.93Å; L45-Y262 HydrophobicContact CD1-CD1 4.22Å; L45-Y262 HydrophobicContact CD1-CE1 3.8Å; L45-Y262 HydrophobicContact CD1-CE2 4.45Å; L45-Y262 HydrophobicContact CG-CE1 4.43Å
46	K	95.2	Very high	81.5	Confident	53 Å²	53	75.8 Å²	75.8	23%	0.23	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	96.7	174.9	-61.2	-60.3	-177.7	179.1	0	110.6	H44 E48 H49 S50 L96 L261 Q263	H44-K46 PolarHBondContact O-N 3.1Å; K46-E48 VanDerWaalsContact C-N 3.29Å; K46-E48 PolarHBondContact O-N 2.95Å; K46-H49 HydrophobicContact CB-CB 4.48Å; K46-H49 CarbonylContact O-C 3.48Å; K46-H49 PolarHBondContact O-N 2.82Å; K46-S50 WeakPolarHBondContact O-CB 3.23Å; K46-S50 PolarHBondContact O-N 3.47Å; K46-S50 PolarHBondContact O-OG 2.76Å; K46-L96 HydrophobicContact CG-CD1 3.96Å; K46-L261 HydrophobicContact CB-CB 4.48Å; K46-L261 HydrophobicContact CB-CD2 4.37Å; K46-L261 PolarHBondContact N-O 3.15Å; K46-Q263 HydrophobicContact CG-CB 4.4Å
47	R	92.6	Very high	82.3	Confident	193 Å²	193	71.9 Å²	71.9	73%	0.728	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	-36.7	-175	-68.6	-169.4	-178.7	149.2	2.6	112.6	H49 S50	R47-H49 PolarHBondContact O-N 3.01Å; R47-S50 PolarHBondContact O-N 3.44Å
48	E	93.6	Very high	82.8	Confident	72 Å²	72	71.1 Å²	71.1	34%	0.336	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-22.8	178.9	65.8	-84.1	-161	0	0	113.9	K46 N90	K46-E48 VanDerWaalsContact C-N 3.29Å; K46-E48 PolarHBondContact O-N 2.95Å; E48-N90 PolarHBondContact O-ND2 3.3Å
49	H	96.3	Very high	82.9	Confident	9 Å²	9	72 Å²	72	4%	0.042	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	13.2	175.4	-59.9	-55.6	0	0	0	112.4	K46 R47 N90 V92 P93 F241 L261	K46-H49 HydrophobicContact CB-CB 4.48Å; K46-H49 CarbonylContact O-C 3.48Å; K46-H49 PolarHBondContact O-N 2.82Å; R47-H49 PolarHBondContact O-N 3.01Å; H49-N90 PolarHBondContact ND1-OD1 3.31Å; H49-V92 PolarHBondContact CE1-O 2.78Å; H49-V92 VanDerWaalsContact CE1-O 3.31Å; H49-V92 PolarHBondContact ND1-O 2.97Å; H49-P93 PolarHBondContact CE1-O 3.41Å; H49-F241 HydrophobicContact CB-CD2 4.47Å; H49-L261 HydrophobicContact CB-CB 3.86Å; H49-L261 HydrophobicContact CB-CD2 3.36Å; H49-L261 HydrophobicContact CB-CG 4.24Å
50	S	95.6	Very high	83.7	Confident	8 Å²	8	71.9 Å²	71.9	6%	0.056	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.3	-177.6	-61.1	0	0	0	0	111.7	K46 R47 W62 M259 L261	K46-S50 WeakPolarHBondContact O-CB 3.23Å; K46-S50 PolarHBondContact O-N 3.47Å; K46-S50 PolarHBondContact O-OG 2.76Å; R47-S50 PolarHBondContact O-N 3.44Å; S50-W62 PolarHBondContact O-NE1 3.27Å; S50-M259 CarbonylContact C-O 3.59Å; S50-M259 WeakPolarHBondContact CA-O 3.38Å; S50-M259 WeakPolarHBondContact CB-O 3.42Å; S50-L261 PolarHBondContact OG-N 2.75Å; S50-L261 VanDerWaalsContact OG-N 3.07Å
51	L	95.5	Very high	85.1	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.7	172.9	177.8	70.6	0	0	0	108.5	Y55 V58 W62 V75 I88 V256 S258 M259	L51-Y55 HydrophobicContact CD1-CD1 3.54Å; L51-Y55 HydrophobicContact CD1-CE1 4.13Å; L51-Y55 HydrophobicContact CD1-CG 4.49Å; L51-Y55 HydrophobicContact CD2-CE1 4.49Å; L51-Y55 HydrophobicContact CG-CD1 3.86Å; L51-Y55 HydrophobicContact CG-CE1 3.91Å; L51-V58 HydrophobicContact CD1-CB 4.42Å; L51-V58 HydrophobicContact CD1-CG1 3.42Å; L51-V58 VanDerWaalsContact CD1-CG1 3.42Å; L51-V58 HydrophobicContact CD1-CG2 4.2Å; L51-W62 HydrophobicContact CB-CD2 4.38Å; L51-W62 HydrophobicContact CB-CH2 4.46Å; L51-W62 HydrophobicContact CB-CZ2 3.93Å; L51-W62 HydrophobicContact CD1-CG 4.44Å; L51-V75 HydrophobicContact CD2-CG2 4.05Å; L51-I88 HydrophobicContact CD2-CD1 3.53Å; L51-V256 HydrophobicContact CD2-CG1 4.27Å; L51-S258 CarbonylContact O-C 3.59Å; L51-S258 WeakPolarHBondContact O-CA 3.36Å; L51-S258 WeakPolarHBondContact O-CB 3.24Å; L51-M259 HydrophobicContact CB-CB 4.14Å; L51-M259 PolarHBondContact N-O 3.02Å; L51-M259 PolarHBondContact O-N 3.46Å
52	T	93.5	Very high	86.4	Confident	59 Å²	59	71.1 Å²	71.1	36%	0.362	38%	0.376	S	S	.	.			trans	-139	147.5	179.5	56.8	0	0	0	0	111.8	Y55 K260	T52-Y55 VanDerWaalsContact C-CE1 3.43Å; T52-Y55 WeakPolarHBondContact O-CA 3.41Å; T52-Y55 WeakPolarHBondContact O-CD1 3.5Å; T52-Y55 PolarHBondContact O-N 2.82Å; T52-K260 HydrophobicContact CG2-CD 4.42Å; T52-K260 HydrophobicContact CG2-CG 3.88Å
53	K	90.9	Very high	87.3	Confident	148 Å²	148	68.2 Å²	68.2	64%	0.643	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	146.5	173.7	65.9	-176.2	179.3	-173.3	0	110.8	Y55	K53-Y55 VanDerWaalsContact C-N 3.29Å; K53-Y55 HydrophobicContact CB-CE1 4.47Å; K53-Y55 HydrophobicContact CB-CE2 4.08Å
54	P	90	Very high	87.9	Confident	75 Å²	75	64.7 Å²	64.7	49%	0.487	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	cis	-85.7	16.4	5.3	35.9	-37.2	0	0	0	114.2	Q56	P54-Q56 HydrophobicContact CB-CG 4.35Å; P54-Q56 HydrophobicContact CG-CB 4.3Å; P54-Q56 HydrophobicContact CG-CG 3.96Å; P54-Q56 PolarHBondContact O-N 3.33Å; P54-Q56 VanDerWaalsContact O-N 3.09Å
55	Y	87.9	Confident	88.1	Confident	14 Å²	14	66.3 Å²	66.3	6%	0.055	34%	0.342	C	S	.	.			trans	58.1	18	-177.1	-33.8	-77	0	0	0	115.3	L51 T52 K53 G57 V58 V70 T71 S73 Y74 V75 I257	L51-Y55 HydrophobicContact CD1-CD1 3.54Å; L51-Y55 HydrophobicContact CD1-CE1 4.13Å; L51-Y55 HydrophobicContact CD1-CG 4.49Å; L51-Y55 HydrophobicContact CD2-CE1 4.49Å; L51-Y55 HydrophobicContact CG-CD1 3.86Å; L51-Y55 HydrophobicContact CG-CE1 3.91Å; T52-Y55 VanDerWaalsContact C-CE1 3.43Å; T52-Y55 WeakPolarHBondContact O-CA 3.41Å; T52-Y55 WeakPolarHBondContact O-CD1 3.5Å; T52-Y55 PolarHBondContact O-N 2.82Å; K53-Y55 VanDerWaalsContact C-N 3.29Å; K53-Y55 HydrophobicContact CB-CE1 4.47Å; K53-Y55 HydrophobicContact CB-CE2 4.08Å; Y55-G57 PolarHBondContact O-N 2.82Å; Y55-V58 VanDerWaalsContact CA-CG2 3.44Å; Y55-V58 VanDerWaalsContact O-CB 3.3Å; Y55-V58 WeakPolarHBondContact O-CB 3.02Å; Y55-V58 WeakPolarHBondContact O-CG2 3.35Å; Y55-V58 PolarHBondContact O-N 2.88Å; Y55-V70 HydrophobicContact CD2-CG1 4.19Å; Y55-V70 HydrophobicContact CG-CG1 4.4Å; Y55-T71 WeakPolarHBondContact CD2-O 3.26Å; Y55-T71 VanDerWaalsContact CE2-O 3.29Å; Y55-T71 WeakPolarHBondContact CE2-O 3.23Å; Y55-S73 PolarHBondContact OH-O 3.36Å; Y55-Y74 WeakPolarHBondContact OH-CA 3.35Å; Y55-V75 HydrophobicContact CD1-CG2 4.21Å; Y55-V75 HydrophobicContact CD2-CG2 4.44Å; Y55-V75 HydrophobicContact CE1-CG2 4.12Å; Y55-V75 HydrophobicContact CE2-CG2 4.35Å; Y55-V75 HydrophobicContact CG-CG2 4.35Å; Y55-I257 WeakPolarHBondContact CE1-O 3.49Å; Y55-I257 PolarHBondContact OH-O 2.79Å
56	Q	68.1	Low	88.3	Confident	168 Å²	168	66.8 Å²	66.8	79%	0.785	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	128.2	175.2	-72.6	-179.9	-16.9	0	0	110.3	P54 V58	P54-Q56 HydrophobicContact CB-CG 4.35Å; P54-Q56 HydrophobicContact CG-CB 4.3Å; P54-Q56 HydrophobicContact CG-CG 3.96Å; P54-Q56 PolarHBondContact O-N 3.33Å; P54-Q56 VanDerWaalsContact O-N 3.09Å; Q56-V58 PolarHBondContact O-N 2.93Å
57	G	68.1	Low	88.4	Confident	61 Å²	61	66 Å²	66	63%	0.629	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	0.2	-178	0	0	0	0	0	114.9	Y55 G59 N60	Y55-G57 PolarHBondContact O-N 2.82Å; G57-G59 PolarHBondContact O-N 2.85Å; G57-N60 PolarHBondContact O-N 2.96Å
58	V	69.2	Low	88.7	Confident	13 Å²	13	57.9 Å²	57.9	8%	0.079	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-63.8	-27.3	179.1	166.4	0	0	0	0	112.5	L51 Y55 Q56 N60 Q61 W62 F64	L51-V58 HydrophobicContact CD1-CB 4.42Å; L51-V58 HydrophobicContact CD1-CG1 3.42Å; L51-V58 VanDerWaalsContact CD1-CG1 3.42Å; L51-V58 HydrophobicContact CD1-CG2 4.2Å; Y55-V58 VanDerWaalsContact CA-CG2 3.44Å; Y55-V58 VanDerWaalsContact O-CB 3.3Å; Y55-V58 WeakPolarHBondContact O-CB 3.02Å; Y55-V58 WeakPolarHBondContact O-CG2 3.35Å; Y55-V58 PolarHBondContact O-N 2.88Å; Q56-V58 PolarHBondContact O-N 2.93Å; V58-N60 PolarHBondContact O-N 2.9Å; V58-Q61 CarbonylContact O-C 3.55Å; V58-Q61 PolarHBondContact O-N 2.96Å; V58-W62 HydrophobicContact CG1-CB 3.66Å; V58-W62 HydrophobicContact CG1-CG 3.85Å; V58-W62 PolarHBondContact O-N 3.09Å; V58-F64 HydrophobicContact CG1-CE2 4.17Å; V58-F64 HydrophobicContact CG1-CZ 3.64Å
59	G	67.6	Low	88.8	Confident	50 Å²	50	59.1 Å²	59.1	52%	0.515	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-58.8	-12.6	178.1	0	0	0	0	0	115.4	G57	G57-G59 PolarHBondContact O-N 2.85Å
60	N	78.6	Confident	88.8	Confident	141 Å²	141	61.7 Å²	61.7	75%	0.754	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-85.6	-22.7	172.4	-69.1	-9.1	0	0	0	113.3	G57 V58 T91	G57-N60 PolarHBondContact O-N 2.96Å; V58-N60 PolarHBondContact O-N 2.9Å; N60-T91 PolarHBondContact O-OG1 3.12Å
61	Q	89.6	Confident	88.7	Confident	72 Å²	72	63.1 Å²	63.1	34%	0.336	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-17.9	-175.1	-72.4	175.6	-30.7	0	0	112.5	V58 N90 T91	V58-Q61 CarbonylContact O-C 3.55Å; V58-Q61 PolarHBondContact O-N 2.96Å; Q61-N90 CarbonylContact O-C 3.59Å; Q61-N90 WeakPolarHBondContact O-CA 3.36Å; Q61-N90 PolarHBondContact O-ND2 2.94Å; Q61-T91 VanDerWaalsContact C-OG1 3.28Å; Q61-T91 VanDerWaalsContact CA-OG1 3.31Å; Q61-T91 WeakPolarHBondContact CA-OG1 3.44Å; Q61-T91 PolarHBondContact O-N 3.35Å; Q61-T91 PolarHBondContact O-OG1 3.04Å
62	W	95.6	Very high	88.6	Confident	1 Å²	1	67.2 Å²	67.2	0%	0.004	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	130.1	179.6	-65.8	78.6	0	0	0	111	S50 L51 V58 F64 I88 W89 N90 M259	S50-W62 PolarHBondContact O-NE1 3.27Å; L51-W62 HydrophobicContact CB-CD2 4.38Å; L51-W62 HydrophobicContact CB-CH2 4.46Å; L51-W62 HydrophobicContact CB-CZ2 3.93Å; L51-W62 HydrophobicContact CD1-CG 4.44Å; V58-W62 HydrophobicContact CG1-CB 3.66Å; V58-W62 HydrophobicContact CG1-CG 3.85Å; V58-W62 PolarHBondContact O-N 3.09Å; W62-F64 HydrophobicContact CB-CE2 4.5Å; W62-F64 HydrophobicContact CB-CZ 4.37Å; W62-F64 WeakPolarHBondContact O-CE2 3.22Å; W62-I88 HydrophobicContact CE3-CB 4.29Å; W62-I88 HydrophobicContact CE3-CG1 4.5Å; W62-I88 HydrophobicContact CZ3-CD1 4.38Å; W62-I88 HydrophobicContact CZ3-CG1 4.42Å; W62-W89 CarbonylContact C-O 3.52Å; W62-W89 VanDerWaalsContact CA-O 3.23Å; W62-W89 WeakPolarHBondContact CA-O 3.45Å; W62-W89 VanDerWaalsContact CE3-C 3.46Å; W62-N90 HydrophobicContact CD2-CB 4.12Å; W62-N90 HydrophobicContact CE3-CB 4.07Å; W62-N90 VanDerWaalsContact CE3-N 3.33Å; W62-N90 HydrophobicContact CH2-CB 3.94Å; W62-N90 HydrophobicContact CZ2-CB 4Å; W62-N90 HydrophobicContact CZ3-CB 3.97Å; W62-M259 HydrophobicContact CH2-CB 4.42Å; W62-M259 HydrophobicContact CH2-CE 4.12Å; W62-M259 HydrophobicContact CH2-SD 3.74Å; W62-M259 HydrophobicContact CZ3-SD 3.96Å
63	D	95.8	Very high	88.6	Confident	49 Å²	49	67.7 Å²	67.7	26%	0.262	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	140.3	170.7	-67.3	-41.8	0	0	0	109.5	I88 W89 T91 R128 L129	D63-I88 CarbonylContact O-C 3.48Å; D63-I88 VanDerWaalsContact O-CA 3.29Å; D63-I88 WeakPolarHBondContact O-CA 3.34Å; D63-W89 PolarHBondContact N-O 2.7Å; D63-W89 PolarHBondContact O-N 2.81Å; D63-T91 WeakPolarHBondContact OD2-CG2 3.43Å; D63-R128 IonicContact OD2-NE 3.56Å; D63-L129 HydrophobicContact CB-CD1 3.74Å; D63-L129 HydrophobicContact CB-CD2 3.85Å; D63-L129 HydrophobicContact CB-CG 4.19Å; D63-L129 WeakPolarHBondContact OD2-CD1 3.42Å
64	F	95.5	Very high	88.9	Confident	72 Å²	72	63.9 Å²	63.9	32%	0.316	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.7	176.5	-54.4	-91.7	0	0	0	109	V58 W62 T68 V70 V75 I88	V58-F64 HydrophobicContact CG1-CE2 4.17Å; V58-F64 HydrophobicContact CG1-CZ 3.64Å; W62-F64 HydrophobicContact CB-CE2 4.5Å; W62-F64 HydrophobicContact CB-CZ 4.37Å; W62-F64 WeakPolarHBondContact O-CE2 3.22Å; F64-T68 HydrophobicContact CB-CG2 4.25Å; F64-T68 HydrophobicContact CD1-CG2 3.9Å; F64-V70 HydrophobicContact CD1-CG2 3.44Å; F64-V70 VanDerWaalsContact CD1-CG2 3.44Å; F64-V70 HydrophobicContact CD2-CG2 4.43Å; F64-V70 HydrophobicContact CE1-CG2 3.32Å; F64-V70 HydrophobicContact CE2-CG2 4.32Å; F64-V70 HydrophobicContact CG-CG2 4.03Å; F64-V70 HydrophobicContact CZ-CG2 3.79Å; F64-V75 HydrophobicContact CD1-CG1 4.19Å; F64-V75 HydrophobicContact CE1-CG1 4.08Å; F64-V75 HydrophobicContact CE1-CG2 4.21Å; F64-I88 HydrophobicContact CD1-CG2 3.39Å; F64-I88 HydrophobicContact CE1-CG2 3.81Å; F64-I88 HydrophobicContact CG-CG2 4.35Å
65	W	96.9	Very high	89.2	Confident	93 Å²	93	60.3 Å²	60.3	35%	0.352	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.9	-175.2	-176.7	91	0	0	0	113.1	T68 Q85 G86 S87 L129 P131	W65-T68 WeakPolarHBondContact O-CB 3.24Å; W65-T68 PolarHBondContact O-OG1 3.05Å; W65-Q85 HydrophobicContact CZ3-CB 4.18Å; W65-G86 VanDerWaalsContact O-CA 3.32Å; W65-G86 WeakPolarHBondContact O-CA 3.38Å; W65-S87 PolarHBondContact N-O 3.48Å; W65-S87 PolarHBondContact O-N 2.83Å; W65-S87 VanDerWaalsContact O-N 3.08Å; W65-L129 HydrophobicContact CB-CD2 3.81Å; W65-L129 HydrophobicContact CG-CD2 4.46Å; W65-P131 HydrophobicContact CE3-CB 4.3Å; W65-P131 HydrophobicContact CH2-CB 3.22Å; W65-P131 HydrophobicContact CH2-CG 3.71Å; W65-P131 HydrophobicContact CZ2-CB 3.64Å; W65-P131 HydrophobicContact CZ2-CG 3.56Å; W65-P131 HydrophobicContact CZ3-CB 3.59Å; W65-P131 HydrophobicContact CZ3-CG 4.43Å
66	G	97.6	Very high	89.7	Confident	51 Å²	51	61.7 Å²	61.7	53%	0.526	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	74.3	-133.8	172.3	0	0	0	0	0	112.6	T68 Q85	G66-T68 PolarHBondContact O-N 2.92Å; G66-Q85 CarbonylContact C-O 3.4Å; G66-Q85 WeakPolarHBondContact CA-O 3.31Å
67	S	98	Very high	91.2	Very high	36 Å²	36	53.7 Å²	53.7	25%	0.252	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	4.4	178.1	57.8	0	0	0	0	114.5	L69 L77 Q85	S67-L69 PolarHBondContact O-N 3.04Å; S67-L77 CarbonylContact C-O 3.39Å; S67-L77 PolarHBondContact OG-O 2.9Å; S67-Q85 PolarHBondContact N-O 2.81Å; S67-Q85 VanDerWaalsContact OG-C 3.26Å; S67-Q85 PolarHBondContact OG-O 2.81Å; S67-Q85 VanDerWaalsContact OG-O 3.09Å
68	T	98.1	Very high	92.7	Very high	24 Å²	24	50.8 Å²	50.8	15%	0.147	29%	0.294	C	S	.	.			trans	-65.9	128	-172.8	-64	0	0	0	0	112.2	F64 W65 G66 V75 R76 L77 G86 S87 I88	F64-T68 HydrophobicContact CB-CG2 4.25Å; F64-T68 HydrophobicContact CD1-CG2 3.9Å; W65-T68 WeakPolarHBondContact O-CB 3.24Å; W65-T68 PolarHBondContact O-OG1 3.05Å; G66-T68 PolarHBondContact O-N 2.92Å; T68-V75 HydrophobicContact CG2-CG1 3.6Å; T68-R76 CarbonylContact C-O 3.54Å; T68-R76 WeakPolarHBondContact CA-O 3.4Å; T68-L77 HydrophobicContact CG2-CD2 4.33Å; T68-L77 PolarHBondContact N-O 2.62Å; T68-L77 PolarHBondContact OG1-O 2.88Å; T68-G86 WeakPolarHBondContact OG1-CA 3.45Å; T68-S87 PolarHBondContact OG1-N 3.27Å; T68-S87 PolarHBondContact OG1-O 3.18Å; T68-I88 HydrophobicContact CG2-CG2 3.82Å
69	L	96.4	Very high	94	Very high	98 Å²	98	51.4 Å²	51.4	51%	0.513	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.1	178.8	177.2	75.3	0	0	0	109.8	S67 T71 V75 R76	S67-L69 PolarHBondContact O-N 3.04Å; L69-T71 HydrophobicContact CD2-CG2 4.31Å; L69-T71 HydrophobicContact CG-CG2 4.47Å; L69-V75 CarbonylContact O-C 3.39Å; L69-R76 HydrophobicContact CB-CB 4.34Å; L69-R76 PolarHBondContact N-O 2.87Å; L69-R76 PolarHBondContact O-N 3.14Å
70	V	95.4	Very high	95.5	Very high	62 Å²	62	50.9 Å²	50.9	38%	0.376	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.5	177.1	-176.5	0	0	0	0	109.7	Y55 F64 V75	Y55-V70 HydrophobicContact CD2-CG1 4.19Å; Y55-V70 HydrophobicContact CG-CG1 4.4Å; F64-V70 HydrophobicContact CD1-CG2 3.44Å; F64-V70 VanDerWaalsContact CD1-CG2 3.44Å; F64-V70 HydrophobicContact CD2-CG2 4.43Å; F64-V70 HydrophobicContact CE1-CG2 3.32Å; F64-V70 HydrophobicContact CE2-CG2 4.32Å; F64-V70 HydrophobicContact CG-CG2 4.03Å; F64-V70 HydrophobicContact CZ-CG2 3.79Å; V70-V75 HydrophobicContact CG1-CG2 4.21Å; V70-V75 HydrophobicContact CG2-CG1 4.25Å; V70-V75 HydrophobicContact CG2-CG2 4.27Å
71	T	94.4	Very high	96.4	Very high	39 Å²	39	49 Å²	49	24%	0.239	27%	0.27	C	S	.	.			trans	-115.9	177	171.1	74.2	0	0	0	0	109.8	Y55 L69 S73 Y74	Y55-T71 WeakPolarHBondContact CD2-O 3.26Å; Y55-T71 VanDerWaalsContact CE2-O 3.29Å; Y55-T71 WeakPolarHBondContact CE2-O 3.23Å; L69-T71 HydrophobicContact CD2-CG2 4.31Å; L69-T71 HydrophobicContact CG-CG2 4.47Å; T71-S73 PolarHBondContact O-N 2.55Å; T71-S73 PolarHBondContact OG1-N 2.89Å; T71-Y74 HydrophobicContact CG2-CD2 4.18Å; T71-Y74 HydrophobicContact CG2-CE1 4.45Å; T71-Y74 HydrophobicContact CG2-CE2 3.63Å; T71-Y74 PolarHBondContact N-O 3.08Å; T71-Y74 PolarHBondContact OG1-N 2.73Å; T71-Y74 PolarHBondContact OG1-O 2.89Å
72	S	92.9	Very high	96.7	Very high	86 Å²	86	53.4 Å²	53.4	60%	0.601	28%	0.284	S	S	*	.	S	Bend	trans	-68.7	-15	174.2	56.8	0	0	0	0	114.2
73	S	93.8	Very high	96.8	Very high	68 Å²	68	57.9 Å²	57.9	48%	0.476	32%	0.315	S	S	.	.	S	Bend	trans	-117.7	-27.3	-168.6	-56.7	0	0	0	0	113.7	Y55 T71	Y55-S73 PolarHBondContact OH-O 3.36Å; T71-S73 PolarHBondContact O-N 2.55Å; T71-S73 PolarHBondContact OG1-N 2.89Å
74	Y	96.5	Very high	96.9	Very high	69 Å²	69	58.6 Å²	58.6	27%	0.271	32%	0.316	S	S	.	.			trans	-155.2	158.5	-179.7	56.5	-97.8	0	0	0	111.2	Y55 T71 R76 D255	Y55-Y74 WeakPolarHBondContact OH-CA 3.35Å; T71-Y74 HydrophobicContact CG2-CD2 4.18Å; T71-Y74 HydrophobicContact CG2-CE1 4.45Å; T71-Y74 HydrophobicContact CG2-CE2 3.63Å; T71-Y74 PolarHBondContact N-O 3.08Å; T71-Y74 PolarHBondContact OG1-N 2.73Å; T71-Y74 PolarHBondContact OG1-O 2.89Å; Y74-R76 HydrophobicContact CD2-CB 4.08Å; Y74-R76 HydrophobicContact CE2-CB 4.03Å; Y74-D255 HydrophobicContact CD2-CB 4.44Å
75	V	97.9	Very high	97.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	114.7	164.7	179.9	0	0	0	0	108.4	L51 Y55 F64 T68 L69 V70 I88 D255 V256	L51-V75 HydrophobicContact CD2-CG2 4.05Å; Y55-V75 HydrophobicContact CD1-CG2 4.21Å; Y55-V75 HydrophobicContact CD2-CG2 4.44Å; Y55-V75 HydrophobicContact CE1-CG2 4.12Å; Y55-V75 HydrophobicContact CE2-CG2 4.35Å; Y55-V75 HydrophobicContact CG-CG2 4.35Å; F64-V75 HydrophobicContact CD1-CG1 4.19Å; F64-V75 HydrophobicContact CE1-CG1 4.08Å; F64-V75 HydrophobicContact CE1-CG2 4.21Å; T68-V75 HydrophobicContact CG2-CG1 3.6Å; L69-V75 CarbonylContact O-C 3.39Å; V70-V75 HydrophobicContact CG1-CG2 4.21Å; V70-V75 HydrophobicContact CG2-CG1 4.25Å; V70-V75 HydrophobicContact CG2-CG2 4.27Å; V75-I88 HydrophobicContact CG1-CG2 3.83Å; V75-D255 CarbonylContact O-C 3.48Å; V75-D255 WeakPolarHBondContact O-CA 3.24Å; V75-V256 PolarHBondContact N-O 2.78Å; V75-V256 PolarHBondContact O-N 2.73Å
76	R	98.5	Very high	97.1	Very high	42 Å²	42	54.3 Å²	54.3	16%	0.158	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	116.6	177.8	176.9	162	-66.8	166.2	7	109.6	T68 L69 Y74 T78 N253 D255	T68-R76 CarbonylContact C-O 3.54Å; T68-R76 WeakPolarHBondContact CA-O 3.4Å; L69-R76 HydrophobicContact CB-CB 4.34Å; L69-R76 PolarHBondContact N-O 2.87Å; L69-R76 PolarHBondContact O-N 3.14Å; Y74-R76 HydrophobicContact CD2-CB 4.08Å; Y74-R76 HydrophobicContact CE2-CB 4.03Å; R76-T78 VanDerWaalsContact CG-O 3.24Å; R76-T78 WeakPolarHBondContact CG-O 3.3Å; R76-N253 PolarHBondContact NH1-OD1 3.32Å; R76-D255 WeakPolarHBondContact CA-OD1 3.45Å; R76-D255 WeakPolarHBondContact CB-OD1 3.34Å; R76-D255 VanDerWaalsContact CG-OD1 3.24Å; R76-D255 WeakPolarHBondContact CG-OD1 3.46Å; R76-D255 IonicContact CZ-OD1 3.78Å; R76-D255 IonicContact CZ-OD2 3.43Å; R76-D255 IonicContact NE-OD1 3.71Å; R76-D255 PolarHBondContact NE-OD1 2.96Å; R76-D255 IonicContact NE-OD2 3.47Å; R76-D255 IonicContact NH2-OD1 2.76Å; R76-D255 PolarHBondContact NH2-OD1 2.96Å; R76-D255 IonicContact NH2-OD2 2.95Å; R76-D255 PolarHBondContact NH2-OD2 3.28Å
77	L	98.7	Very high	97.2	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-50.1	177.7	-59	179.2	0	0	0	110.8	S67 T68 G86 I88 I120 A243 A245 H254 V256	S67-L77 CarbonylContact C-O 3.39Å; S67-L77 PolarHBondContact OG-O 2.9Å; T68-L77 HydrophobicContact CG2-CD2 4.33Å; T68-L77 PolarHBondContact N-O 2.62Å; T68-L77 PolarHBondContact OG1-O 2.88Å; L77-G86 WeakPolarHBondContact O-CA 3.37Å; L77-I88 HydrophobicContact CD2-CB 4.46Å; L77-I88 HydrophobicContact CD2-CD1 4.36Å; L77-I88 HydrophobicContact CD2-CG1 3.97Å; L77-I88 HydrophobicContact CD2-CG2 3.95Å; L77-I120 HydrophobicContact CD1-CG2 4.38Å; L77-A243 HydrophobicContact CD1-CB 4.18Å; L77-A245 HydrophobicContact CB-CB 3.69Å; L77-A245 HydrophobicContact CD1-CB 3.95Å; L77-A245 HydrophobicContact CG-CB 4.49Å; L77-H254 HydrophobicContact CB-CB 4.4Å; L77-H254 WeakPolarHBondContact CB-O 3.23Å; L77-H254 PolarHBondContact N-O 2.67Å; L77-V256 HydrophobicContact CD1-CG2 3.79Å; L77-V256 HydrophobicContact CG-CG2 4.12Å
78	T	98.7	Very high	97.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.8	174.2	56.8	0	0	0	0	110.5	R76 K84 A245 N253 H254	R76-T78 VanDerWaalsContact CG-O 3.24Å; R76-T78 WeakPolarHBondContact CG-O 3.3Å; T78-K84 HydrophobicContact CG2-CB 3.92Å; T78-A245 HydrophobicContact CG2-CB 4.04Å; T78-A245 VanDerWaalsContact CG2-O 3.31Å; T78-A245 WeakPolarHBondContact CG2-O 3.3Å; T78-N253 WeakPolarHBondContact O-CA 3.33Å; T78-H254 PolarHBondContact O-N 3.23Å; T78-H254 PolarHBondContact OG1-ND1 3.28Å
79	P	98.4	Very high	97.2	Very high	26 Å²	26	49.1 Å²	49.1	17%	0.169	26%	0.258	C	S	.	.			trans	-79	166.7	168	34.1	-34.8	0	0	0	111.7	E81 K84 D252	P79-E81 HydrophobicContact CB-CG 4.33Å; P79-E81 HydrophobicContact CG-CB 4.11Å; P79-E81 HydrophobicContact CG-CG 4.12Å; P79-E81 PolarHBondContact O-N 3.25Å; P79-K84 HydrophobicContact CG-CG 4.08Å; P79-D252 CarbonylContact C-O 3.29Å; P79-D252 VanDerWaalsContact O-O 3.13Å
80	D	97.9	Very high	97.3	Very high	39 Å²	39	44.5 Å²	44.5	21%	0.209	23%	0.234	C	C	.	.	S	Bend	trans	-68.2	58.8	167.2	-169	14	0	0	0	111.2	S110 S251 N253	D80-S110 PolarHBondContact OD2-N 2.96Å; D80-S110 PolarHBondContact OD2-OG 2.87Å; D80-S251 WeakPolarHBondContact OD1-CB 3.34Å; D80-S251 PolarHBondContact OD1-OG 3.29Å; D80-N253 PolarHBondContact N-OD1 3.5Å
81	E	97.6	Very high	97.3	Very high	101 Å²	101	43.2 Å²	43.2	47%	0.472	23%	0.226	S	C	.	.	S	Bend	trans	-133.7	149.6	173.2	-63.4	179.2	-167.6	0	0	108.7	P79 K84 T247 S251	P79-E81 HydrophobicContact CB-CG 4.33Å; P79-E81 HydrophobicContact CG-CB 4.11Å; P79-E81 HydrophobicContact CG-CG 4.12Å; P79-E81 PolarHBondContact O-N 3.25Å; E81-K84 HydrophobicContact CB-CG 4.12Å; E81-K84 WeakPolarHBondContact OE2-CE 3.21Å; E81-K84 IonicContact OE2-NZ 2.69Å; E81-K84 PolarHBondContact OE2-NZ 3.23Å; E81-T247 WeakPolarHBondContact O-CB 3.49Å; E81-T247 PolarHBondContact O-OG1 3.32Å; E81-S251 VanDerWaalsContact C-CB 3.48Å; E81-S251 WeakPolarHBondContact O-CB 3.34Å
82	R	96.9	Very high	97.4	Very high	165 Å²	165	43.7 Å²	43.7	62%	0.623	23%	0.229	S	C	*	.	S	Bend	trans	-70.3	154.4	-179.7	-63.8	-179.8	-176.5	179.6	-2.4	112.6	K84 G248 D249	R82-K84 VanDerWaalsContact C-N 3.35Å; R82-K84 PolarHBondContact O-N 2.86Å; R82-G248 WeakPolarHBondContact CA-O 3.32Å; R82-G248 WeakPolarHBondContact CB-O 3.23Å; R82-D249 WeakPolarHBondContact CD-O 3.37Å; R82-D249 WeakPolarHBondContact CG-O 3.34Å; R82-D249 PolarHBondContact NE-O 2.9Å
83	S	96.9	Very high	97.7	Very high	95 Å²	95	41.2 Å²	41.2	66%	0.664	21%	0.21	S	C	*	.	S	Bend	trans	56.2	43.2	170.2	-47.3	0	0	0	0	114	T247 G248	S83-T247 WeakPolarHBondContact CA-O 3.45Å; S83-T247 PolarHBondContact N-O 3.35Å; S83-T247 PolarHBondContact N-OG1 2.95Å; S83-G248 PolarHBondContact N-O 2.82Å
84	K	98.4	Very high	97.9	Very high	64 Å²	64	38 Å²	38	28%	0.278	19%	0.188	S	C	.	.			trans	-107.6	147.9	176	-57	-61.8	179.3	164.8	0	110.3	T78 P79 E81 R82 A246 T247	T78-K84 HydrophobicContact CG2-CB 3.92Å; P79-K84 HydrophobicContact CG-CG 4.08Å; E81-K84 HydrophobicContact CB-CG 4.12Å; E81-K84 WeakPolarHBondContact OE2-CE 3.21Å; E81-K84 IonicContact OE2-NZ 2.69Å; E81-K84 PolarHBondContact OE2-NZ 3.23Å; R82-K84 VanDerWaalsContact C-N 3.35Å; R82-K84 PolarHBondContact O-N 2.86Å; K84-A246 CarbonylContact O-C 3.51Å; K84-A246 VanDerWaalsContact O-CA 3.24Å; K84-A246 WeakPolarHBondContact O-CA 3.06Å; K84-T247 WeakPolarHBondContact CB-OG1 3.22Å; K84-T247 PolarHBondContact N-O 3.36Å; K84-T247 PolarHBondContact N-OG1 3.02Å; K84-T247 PolarHBondContact O-N 3.43Å
85	Q	98.4	Very high	98	Very high	75 Å²	75	41.7 Å²	41.7	35%	0.35	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	132.8	171.7	-63.9	-175.6	-3.3	0	0	108	W65 G66 S67 A245 A246	W65-Q85 HydrophobicContact CZ3-CB 4.18Å; G66-Q85 CarbonylContact C-O 3.4Å; G66-Q85 WeakPolarHBondContact CA-O 3.31Å; S67-Q85 PolarHBondContact N-O 2.81Å; S67-Q85 VanDerWaalsContact OG-C 3.26Å; S67-Q85 PolarHBondContact OG-O 2.81Å; S67-Q85 VanDerWaalsContact OG-O 3.09Å; Q85-A245 WeakPolarHBondContact CA-O 3.42Å; Q85-A246 HydrophobicContact CG-CB 3.98Å
86	G	98.5	Very high	98	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	152.9	176.9	0	0	0	0	0	111.2	W65 T68 L77 S244 A245	W65-G86 VanDerWaalsContact O-CA 3.32Å; W65-G86 WeakPolarHBondContact O-CA 3.38Å; T68-G86 WeakPolarHBondContact OG1-CA 3.45Å; L77-G86 WeakPolarHBondContact O-CA 3.37Å; G86-S244 VanDerWaalsContact O-CA 3.28Å; G86-S244 WeakPolarHBondContact O-CA 3.36Å; G86-A245 PolarHBondContact N-O 2.89Å; G86-A245 VanDerWaalsContact N-O 3.08Å; G86-A245 PolarHBondContact O-N 2.8Å
87	S	98.6	Very high	97.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	156	179.2	68.4	0	0	0	0	112.4	W65 T68 W89 A243	W65-S87 PolarHBondContact N-O 3.48Å; W65-S87 PolarHBondContact O-N 2.83Å; W65-S87 VanDerWaalsContact O-N 3.08Å; T68-S87 PolarHBondContact OG1-N 3.27Å; T68-S87 PolarHBondContact OG1-O 3.18Å; S87-W89 PolarHBondContact OG-NE1 2.79Å; S87-W89 VanDerWaalsContact OG-NE1 3.12Å; S87-A243 CarbonylContact C-O 3.42Å; S87-A243 WeakPolarHBondContact CA-O 3.4Å; S87-A243 WeakPolarHBondContact CB-O 3.36Å
88	I	98.1	Very high	97.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.3	168.9	55.7	175.1	0	0	0	109.5	L51 W62 D63 F64 T68 V75 L77 G242 A243 V256 M259	L51-I88 HydrophobicContact CD2-CD1 3.53Å; W62-I88 HydrophobicContact CE3-CB 4.29Å; W62-I88 HydrophobicContact CE3-CG1 4.5Å; W62-I88 HydrophobicContact CZ3-CD1 4.38Å; W62-I88 HydrophobicContact CZ3-CG1 4.42Å; D63-I88 CarbonylContact O-C 3.48Å; D63-I88 VanDerWaalsContact O-CA 3.29Å; D63-I88 WeakPolarHBondContact O-CA 3.34Å; F64-I88 HydrophobicContact CD1-CG2 3.39Å; F64-I88 HydrophobicContact CE1-CG2 3.81Å; F64-I88 HydrophobicContact CG-CG2 4.35Å; T68-I88 HydrophobicContact CG2-CG2 3.82Å; V75-I88 HydrophobicContact CG1-CG2 3.83Å; L77-I88 HydrophobicContact CD2-CB 4.46Å; L77-I88 HydrophobicContact CD2-CD1 4.36Å; L77-I88 HydrophobicContact CD2-CG1 3.97Å; L77-I88 HydrophobicContact CD2-CG2 3.95Å; I88-G242 CarbonylContact O-C 3.51Å; I88-G242 WeakPolarHBondContact O-CA 3.4Å; I88-A243 HydrophobicContact CD1-CB 4.09Å; I88-A243 HydrophobicContact CG1-CB 3.79Å; I88-A243 PolarHBondContact N-O 3.26Å; I88-A243 PolarHBondContact O-N 3.47Å; I88-V256 HydrophobicContact CD1-CB 4.38Å; I88-V256 HydrophobicContact CD1-CG1 4.27Å; I88-V256 HydrophobicContact CD1-CG2 4.45Å; I88-M259 HydrophobicContact CD1-SD 3.91Å
89	W	98.4	Very high	97.9	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	129	-176.4	-71.5	93.2	0	0	0	111.1	W62 D63 S87 W123 T125 R128 L129 N137 F240	W62-W89 CarbonylContact C-O 3.52Å; W62-W89 VanDerWaalsContact CA-O 3.23Å; W62-W89 WeakPolarHBondContact CA-O 3.45Å; W62-W89 VanDerWaalsContact CE3-C 3.46Å; D63-W89 PolarHBondContact N-O 2.7Å; D63-W89 PolarHBondContact O-N 2.81Å; S87-W89 PolarHBondContact OG-NE1 2.79Å; S87-W89 VanDerWaalsContact OG-NE1 3.12Å; W89-W123 HydrophobicContact CH2-CB 3.54Å; W89-W123 AromaticContact CH2-CD1 3.82Å; W89-W123 HydrophobicContact CH2-CD2 4.25Å; W89-W123 AromaticContact CH2-CG 3.58Å; W89-W123 HydrophobicContact CH2-CG 3.58Å; W89-W123 AromaticContact CZ2-CD1 3.97Å; W89-W123 HydrophobicContact CZ2-CG 4.17Å; W89-W123 HydrophobicContact CZ3-CB 3.75Å; W89-W123 HydrophobicContact CZ3-CG 4.28Å; W89-T125 WeakPolarHBondContact CH2-OG1 3.46Å; W89-T125 VanDerWaalsContact CZ3-OG1 3.23Å; W89-T125 WeakPolarHBondContact CZ3-OG1 3.46Å; W89-R128 HydrophobicContact CB-CB 3.97Å; W89-R128 HydrophobicContact CD2-CB 3.59Å; W89-R128 HydrophobicContact CE3-CB 3.44Å; W89-R128 VanDerWaalsContact CE3-CB 3.44Å; W89-R128 HydrophobicContact CG-CB 3.83Å; W89-R128 HydrophobicContact CZ3-CB 4.15Å; W89-L129 HydrophobicContact CB-CD2 4.31Å; W89-L129 HydrophobicContact CB-CG 4.27Å; W89-L129 HydrophobicContact CG-CD2 4.17Å; W89-L129 HydrophobicContact CG-CG 4.2Å; W89-N137 WeakPolarHBondContact CZ2-OD1 3.4Å; W89-F240 HydrophobicContact CE3-CB 4.49Å
90	N	97.8	Very high	97.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	134.9	170.7	-175	-132.1	0	0	0	109.5	E48 H49 Q61 W62 V92 F240 F241	E48-N90 PolarHBondContact O-ND2 3.3Å; H49-N90 PolarHBondContact ND1-OD1 3.31Å; Q61-N90 CarbonylContact O-C 3.59Å; Q61-N90 WeakPolarHBondContact O-CA 3.36Å; Q61-N90 PolarHBondContact O-ND2 2.94Å; W62-N90 HydrophobicContact CD2-CB 4.12Å; W62-N90 HydrophobicContact CE3-CB 4.07Å; W62-N90 VanDerWaalsContact CE3-N 3.33Å; W62-N90 HydrophobicContact CH2-CB 3.94Å; W62-N90 HydrophobicContact CZ2-CB 4Å; W62-N90 HydrophobicContact CZ3-CB 3.97Å; N90-V92 PolarHBondContact OD1-O 3.14Å; N90-F240 VanDerWaalsContact O-CD1 3.24Å; N90-F240 WeakPolarHBondContact O-CD1 3.4Å; N90-F241 HydrophobicContact CB-CB 4.34Å; N90-F241 WeakPolarHBondContact CB-O 3.23Å; N90-F241 PolarHBondContact N-O 3.44Å
91	T	96.6	Very high	97.9	Very high	35 Å²	35	41 Å²	41	22%	0.215	20%	0.197	C	C	.	.	S	Bend	trans	-83.8	-17.5	-177.7	57.2	0	0	0	0	112.6	N60 Q61 D63 F240	N60-T91 PolarHBondContact O-OG1 3.12Å; Q61-T91 VanDerWaalsContact C-OG1 3.28Å; Q61-T91 VanDerWaalsContact CA-OG1 3.31Å; Q61-T91 WeakPolarHBondContact CA-OG1 3.44Å; Q61-T91 PolarHBondContact O-N 3.35Å; Q61-T91 PolarHBondContact O-OG1 3.04Å; D63-T91 WeakPolarHBondContact OD2-CG2 3.43Å; T91-F240 WeakPolarHBondContact O-CE1 3.15Å
92	V	96.6	Very high	98	Very high	49 Å²	49	37.2 Å²	37.2	30%	0.297	18%	0.18	S	C	.	.	S	Bend	trans	-98.1	122.9	-176.2	-173	0	0	0	0	109.2	H49 N90	H49-V92 PolarHBondContact CE1-O 2.78Å; H49-V92 VanDerWaalsContact CE1-O 3.31Å; H49-V92 PolarHBondContact ND1-O 2.97Å; N90-V92 PolarHBondContact OD1-O 3.14Å
93	P	97.8	Very high	98	Very high	34 Å²	34	29.4 Å²	29.4	22%	0.221	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-68	137.5	174.3	27.4	-31.6	0	0	0	110.5	H49 Y95 G238 Y239 F240	H49-P93 PolarHBondContact CE1-O 3.41Å; P93-Y95 HydrophobicContact CB-CE2 4.17Å; P93-Y95 HydrophobicContact CG-CE2 3.8Å; P93-G238 WeakPolarHBondContact CB-O 3.05Å; P93-Y239 WeakPolarHBondContact CA-O 3.41Å; P93-F240 HydrophobicContact CB-CD1 4.41Å; P93-F240 HydrophobicContact CB-CE1 3.9Å; P93-F240 HydrophobicContact CB-CZ 4.02Å; P93-F240 HydrophobicContact CG-CE1 4.27Å; P93-F240 HydrophobicContact CG-CZ 4.45Å
94	C	98.3	Very high	98.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-89.6	121.3	-178.1	175.2	0	0	0	0	111.2	L96 Y124 G238 Y239 F241	C94-L96 PolarHBondContact SG-N 2.81Å; C94-Y124 HydrophobicContact CB-CE2 4.13Å; C94-G238 WeakPolarHBondContact O-CA 3.2Å; C94-G238 PolarHBondContact O-N 2.9Å; C94-Y239 PolarHBondContact N-O 2.9Å; C94-F241 HydrophobicContact CB-CD2 4.09Å; C94-F241 HydrophobicContact CB-CE2 3.61Å
95	Y	98.1	Very high	98.1	Very high	148 Å²	148	23.3 Å²	23.3	58%	0.58	11%	0.112	S	C	*	.			trans	-102.1	11.8	177.5	-66.6	-82.1	0	0	0	114.1	P93 T278	P93-Y95 HydrophobicContact CB-CE2 4.17Å; P93-Y95 HydrophobicContact CG-CE2 3.8Å; Y95-T278 HydrophobicContact CD1-CG2 4.33Å; Y95-T278 HydrophobicContact CE1-CG2 3.95Å
96	L	98.2	Very high	98.1	Very high	27 Å²	27	22.6 Å²	22.6	14%	0.141	11%	0.108	C	C	.	.			trans	-72.7	131.4	175.4	-53.8	176.9	0	0	0	109.9	K46 C94 W99 L261 Q263	K46-L96 HydrophobicContact CG-CD1 3.96Å; C94-L96 PolarHBondContact SG-N 2.81Å; L96-W99 HydrophobicContact CB-CB 4.23Å; L96-W99 HydrophobicContact CD1-CB 4.15Å; L96-L261 HydrophobicContact CD1-CD2 3.71Å; L96-L261 HydrophobicContact CD1-CG 4.35Å; L96-Q263 HydrophobicContact CD1-CB 4.13Å; L96-Q263 HydrophobicContact CD2-CB 4.26Å; L96-Q263 HydrophobicContact CD2-CG 4.07Å
97	K	97.8	Very high	98.1	Very high	51 Å²	51	22.6 Å²	22.6	22%	0.222	11%	0.108	C	C	.	.	S	Bend	trans	-77.2	-36.4	174.2	-60.1	174.3	-174	174.7	0	111.6	T237 W277	K97-T237 HydrophobicContact CG-CG2 4.27Å; K97-W277 HydrophobicContact CD-CD2 4.21Å; K97-W277 HydrophobicContact CD-CZ2 4.1Å; K97-W277 HydrophobicContact CG-CD2 4.11Å; K97-W277 HydrophobicContact CG-CE3 4.32Å; K97-W277 HydrophobicContact CG-CG 4.44Å
98	D	98.2	Very high	98	Very high	6 Å²	6	24.5 Å²	24.5	3%	0.032	12%	0.117	C	C	.	.	S	Bend	trans	-128.7	123.9	-179.2	-52.5	-98.8	0	0	0	109.2	Y207 S208 R209 L264 V266 H268	D98-Y207 WeakPolarHBondContact CA-O 3.15Å; D98-S208 WeakPolarHBondContact OD1-CA 3.39Å; D98-S208 VanDerWaalsContact OD1-CB 3.22Å; D98-S208 WeakPolarHBondContact OD1-CB 3.19Å; D98-S208 PolarHBondContact OD1-OG 3.23Å; D98-R209 PolarHBondContact OD1-N 2.81Å; D98-L264 HydrophobicContact CB-CB 3.82Å; D98-L264 HydrophobicContact CB-CD1 4.31Å; D98-L264 PolarHBondContact O-N 2.76Å; D98-L264 VanDerWaalsContact O-N 3.14Å; D98-V266 HydrophobicContact CB-CB 4.26Å; D98-V266 HydrophobicContact CB-CG2 3.93Å; D98-H268 IonicContact OD2-CD2 3.88Å; D98-H268 IonicContact OD2-CE1 3.13Å; D98-H268 PolarHBondContact OD2-CE1 2.8Å; D98-H268 IonicContact OD2-NE2 2.62Å; D98-H268 PolarHBondContact OD2-NE2 2.82Å
99	W	98.4	Very high	97.9	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.015	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	157.4	-173.4	53.7	-100	0	0	0	111.7	L96 M101 Y124 L144 I205 Y207 F241 L261 Y262	L96-W99 HydrophobicContact CB-CB 4.23Å; L96-W99 HydrophobicContact CD1-CB 4.15Å; W99-M101 HydrophobicContact CE3-CB 4.4Å; W99-M101 HydrophobicContact CZ3-CB 4.27Å; W99-Y124 HydrophobicContact CZ2-CD1 4.37Å; W99-Y124 HydrophobicContact CZ2-CD2 4.46Å; W99-Y124 HydrophobicContact CZ2-CG 4.2Å; W99-L144 HydrophobicContact CH2-CD2 4.35Å; W99-I205 HydrophobicContact CH2-CG2 4.07Å; W99-I205 HydrophobicContact CZ3-CB 4.34Å; W99-I205 HydrophobicContact CZ3-CG2 3.87Å; W99-I205 WeakPolarHBondContact CZ3-O 3.31Å; W99-Y207 HydrophobicContact CZ2-CD1 4.33Å; W99-Y207 HydrophobicContact CZ2-CG 4.2Å; W99-Y207 PolarHBondContact N-O 2.88Å; W99-Y207 AromaticContact NE1-CD1 3.74Å; W99-Y207 PolarHBondContact O-N 3.42Å; W99-F241 HydrophobicContact CD2-CE1 4.34Å; W99-F241 AromaticContact CD2-CZ 3.81Å; W99-F241 HydrophobicContact CD2-CZ 3.81Å; W99-F241 AromaticContact CE2-CZ 3.88Å; W99-F241 HydrophobicContact CE3-CE1 4.14Å; W99-F241 AromaticContact CE3-CZ 3.96Å; W99-F241 HydrophobicContact CE3-CZ 3.96Å; W99-F241 HydrophobicContact CG-CZ 4.32Å; W99-F241 AromaticContact CH2-CE1 3.9Å; W99-F241 HydrophobicContact CH2-CE1 3.9Å; W99-F241 HydrophobicContact CH2-CZ 4.3Å; W99-F241 HydrophobicContact CZ2-CE1 4.08Å; W99-F241 HydrophobicContact CZ2-CZ 4.14Å; W99-F241 AromaticContact CZ3-CE1 3.93Å; W99-F241 HydrophobicContact CZ3-CE1 3.93Å; W99-F241 HydrophobicContact CZ3-CZ 4.21Å; W99-L261 HydrophobicContact CB-CD1 3.97Å; W99-L261 HydrophobicContact CD2-CD1 4.33Å; W99-L261 HydrophobicContact CE3-CD1 4.07Å; W99-L261 HydrophobicContact CG-CD1 4.33Å; W99-Y262 VanDerWaalsContact CA-O 3.31Å; W99-Y262 WeakPolarHBondContact CA-O 3.44Å
100	E	98.4	Very high	97.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	123.9	174.2	-172.7	171.4	99.9	0	0	109.2	I37 T38 H102 I205 R206 L261 Y262 L264	I37-E100 VanDerWaalsContact CG2-OE1 3.28Å; I37-E100 WeakPolarHBondContact CG2-OE1 3.37Å; T38-E100 WeakPolarHBondContact CB-OE1 3.1Å; T38-E100 PolarHBondContact N-OE1 2.84Å; T38-E100 PolarHBondContact OG1-OE1 2.93Å; E100-H102 IonicContact OE1-CD2 3.49Å; E100-H102 IonicContact OE1-CE1 3.59Å; E100-H102 IonicContact OE1-NE2 3.45Å; E100-H102 PolarHBondContact OE1-NE2 3.06Å; E100-I205 CarbonylContact C-O 3.5Å; E100-I205 WeakPolarHBondContact CA-O 3.31Å; E100-R206 HydrophobicContact CB-CG 4.44Å; E100-R206 HydrophobicContact CG-CB 4.18Å; E100-R206 HydrophobicContact CG-CG 4.43Å; E100-R206 WeakPolarHBondContact OE2-CD 3.47Å; E100-R206 IonicContact OE2-NE 3Å; E100-L261 CarbonylContact O-C 3.46Å; E100-Y262 PolarHBondContact N-O 3.48Å; E100-Y262 PolarHBondContact O-N 3.04Å; E100-L264 HydrophobicContact CB-CD1 4.43Å; E100-L264 HydrophobicContact CB-CD2 4.09Å; E100-L264 HydrophobicContact CB-CG 4.4Å
101	M	98.6	Very high	97.2	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.015	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.3	177.3	179.6	67.8	81.3	0	0	109	W99 V103 A204 I205 F241 M259 K260 L261	W99-M101 HydrophobicContact CE3-CB 4.4Å; W99-M101 HydrophobicContact CZ3-CB 4.27Å; M101-V103 HydrophobicContact CG-CG2 3.7Å; M101-A204 CarbonylContact O-C 3Å; M101-A204 WeakPolarHBondContact O-CA 3.42Å; M101-I205 HydrophobicContact CB-CB 4.47Å; M101-I205 PolarHBondContact N-O 3.48Å; M101-I205 PolarHBondContact O-N 2.83Å; M101-F241 HydrophobicContact CE-CB 4.08Å; M101-F241 HydrophobicContact CE-CD1 3.66Å; M101-F241 HydrophobicContact CE-CD2 4.01Å; M101-F241 HydrophobicContact CE-CE1 4.06Å; M101-F241 HydrophobicContact CE-CE2 4.37Å; M101-F241 HydrophobicContact CE-CG 3.64Å; M101-F241 HydrophobicContact CE-CZ 4.4Å; M101-M259 HydrophobicContact CE-CE 4.21Å; M101-M259 HydrophobicContact SD-CB 3.88Å; M101-M259 HydrophobicContact SD-CE 4.44Å; M101-K260 WeakPolarHBondContact CA-O 3.36Å; M101-K260 VanDerWaalsContact SD-C 3.57Å; M101-L261 HydrophobicContact CB-CD1 4.1Å; M101-L261 HydrophobicContact CE-CB 4.01Å; M101-L261 HydrophobicContact CE-CD1 3.76Å; M101-L261 HydrophobicContact CE-CG 4.45Å; M101-L261 HydrophobicContact SD-CB 4.24Å; M101-L261 HydrophobicContact SD-CD1 4.34Å
102	H	98.1	Very high	96.4	Very high	22 Å²	22	37.5 Å²	37.5	10%	0.102	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.2	168.7	-65.2	178.8	0	0	0	109.3	T38 E100 L203 M259 K260 Y262	T38-H102 PolarHBondContact O-CE1 2.92Å; E100-H102 IonicContact OE1-CD2 3.49Å; E100-H102 IonicContact OE1-CE1 3.59Å; E100-H102 IonicContact OE1-NE2 3.45Å; E100-H102 PolarHBondContact OE1-NE2 3.06Å; H102-L203 CarbonylContact C-O 3.53Å; H102-L203 WeakPolarHBondContact CA-O 3.35Å; H102-M259 CarbonylContact O-C 3.57Å; H102-M259 WeakPolarHBondContact O-CA 3.42Å; H102-K260 HydrophobicContact CB-CB 4.47Å; H102-K260 PolarHBondContact N-O 2.81Å; H102-K260 PolarHBondContact O-N 3.21Å; H102-Y262 HydrophobicContact CB-CE2 4.26Å; H102-Y262 AromaticContact CE1-CE2 3.91Å; H102-Y262 AromaticContact CG-CE2 3.84Å; H102-Y262 AromaticContact ND1-CE2 3.54Å
103	V	98.5	Very high	95.7	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.8	177.9	-174.1	0	0	0	0	108.9	M101 F105 L122 Y202 L203 V256 S258 M259	M101-V103 HydrophobicContact CG-CG2 3.7Å; V103-F105 HydrophobicContact CG1-CB 4.35Å; V103-L122 HydrophobicContact CB-CD1 4.29Å; V103-L122 HydrophobicContact CG1-CD1 4.37Å; V103-L122 HydrophobicContact CG1-CD2 4.19Å; V103-L122 HydrophobicContact CG2-CD1 3.92Å; V103-L122 HydrophobicContact CG2-CD2 4.34Å; V103-Y202 CarbonylContact O-C 3.45Å; V103-Y202 WeakPolarHBondContact O-CA 3.48Å; V103-L203 HydrophobicContact CB-CB 4.45Å; V103-L203 PolarHBondContact N-O 3.5Å; V103-L203 PolarHBondContact O-N 3.05Å; V103-V256 HydrophobicContact CG1-CG1 4.47Å; V103-S258 CarbonylContact C-O 3.51Å; V103-S258 WeakPolarHBondContact CA-O 3.43Å; V103-M259 HydrophobicContact CG1-CG 4.2Å; V103-M259 HydrophobicContact CG2-CE 4.39Å; V103-M259 HydrophobicContact CG2-CG 4.25Å
104	Q	98.2	Very high	94.8	Very high	26 Å²	26	48.6 Å²	48.6	12%	0.121	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.9	165	-173	-176.7	7.2	0	0	107.8	D200 Y202 I257 S258	Q104-D200 PolarHBondContact NE2-OD1 2.87Å; Q104-D200 PolarHBondContact NE2-OD2 2.88Å; Q104-Y202 HydrophobicContact CB-CD1 3.75Å; Q104-Y202 HydrophobicContact CB-CE1 3.64Å; Q104-Y202 HydrophobicContact CG-CD1 3.88Å; Q104-Y202 HydrophobicContact CG-CE1 3.45Å; Q104-Y202 VanDerWaalsContact CG-CE1 3.45Å; Q104-Y202 PolarHBondContact NE2-OH 2.86Å; Q104-I257 HydrophobicContact CB-CB 4.13Å; Q104-I257 HydrophobicContact CG-CB 3.86Å; Q104-I257 HydrophobicContact CG-CD1 4.43Å; Q104-I257 HydrophobicContact CG-CG1 4.43Å; Q104-I257 HydrophobicContact CG-CG2 4.22Å; Q104-I257 PolarHBondContact O-N 3.23Å; Q104-I257 VanDerWaalsContact OE1-CG2 3.31Å; Q104-S258 WeakPolarHBondContact CB-OG 3.34Å; Q104-S258 PolarHBondContact N-O 2.8Å; Q104-S258 PolarHBondContact O-N 2.88Å; Q104-S258 VanDerWaalsContact O-N 3.12Å
105	F	98.4	Very high	94.3	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	170.9	-177.2	68	-82.9	0	0	0	110.1	V103 V107 I120 L148 I194 T201 L203 D255 I257	V103-F105 HydrophobicContact CG1-CB 4.35Å; F105-V107 HydrophobicContact CD2-CG2 4.12Å; F105-V107 HydrophobicContact CE2-CG2 4.31Å; F105-I120 HydrophobicContact CB-CD1 4.38Å; F105-I120 HydrophobicContact CD2-CD1 4.32Å; F105-L148 HydrophobicContact CD1-CD2 4.29Å; F105-L148 HydrophobicContact CD2-CD2 3.92Å; F105-L148 HydrophobicContact CE1-CD2 3.86Å; F105-L148 HydrophobicContact CE2-CD2 3.44Å; F105-L148 VanDerWaalsContact CE2-CD2 3.44Å; F105-L148 HydrophobicContact CG-CD2 4.32Å; F105-L148 HydrophobicContact CZ-CD2 3.41Å; F105-L148 VanDerWaalsContact CZ-CD2 3.41Å; F105-I194 HydrophobicContact CE2-CB 3.98Å; F105-I194 HydrophobicContact CE2-CD1 4.36Å; F105-I194 HydrophobicContact CE2-CG2 4.3Å; F105-I194 HydrophobicContact CZ-CB 4.18Å; F105-I194 HydrophobicContact CZ-CG2 4Å; F105-T201 PolarHBondContact N-O 3.34Å; F105-T201 PolarHBondContact O-OG1 3.34Å; F105-L203 HydrophobicContact CD1-CB 4.42Å; F105-L203 HydrophobicContact CE1-CB 3.98Å; F105-D255 CarbonylContact C-O 3.26Å; F105-D255 VanDerWaalsContact CA-O 3.24Å; F105-D255 WeakPolarHBondContact CA-O 3.17Å; F105-D255 WeakPolarHBondContact CB-O 3.35Å; F105-I257 VanDerWaalsContact C-CD1 3.4Å
106	K	98.2	Very high	94.1	Very high	61 Å²	61	47.9 Å²	47.9	27%	0.265	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	125.1	170.1	-163.1	179.8	-172.2	77.8	0	109.3	R197 D255 I257	K106-R197 PolarHBondContact NZ-O 3.12Å; K106-D255 HydrophobicContact CB-CB 4.38Å; K106-D255 PolarHBondContact N-O 3.31Å; K106-D255 PolarHBondContact O-N 3.43Å; K106-I257 HydrophobicContact CB-CD1 3.87Å
107	V	98.2	Very high	93.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.3	170.1	-172.4	0	0	0	0	108.4	F105 I120 T150 R195 N196 D252 N253	F105-V107 HydrophobicContact CD2-CG2 4.12Å; F105-V107 HydrophobicContact CE2-CG2 4.31Å; V107-I120 HydrophobicContact CG2-CD1 3.83Å; V107-I120 HydrophobicContact CG2-CG1 4.27Å; V107-T150 HydrophobicContact CG1-CG2 4.15Å; V107-R195 HydrophobicContact CG1-CG 4.35Å; V107-R195 WeakPolarHBondContact O-CA 3.36Å; V107-N196 PolarHBondContact O-N 2.87Å; V107-D252 HydrophobicContact CG1-CB 4.03Å; V107-N253 WeakPolarHBondContact CA-O 3.38Å
108	H	97.7	Very high	93.5	Very high	42 Å²	42	45.1 Å²	45.1	19%	0.194	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	149	-176.6	64.7	98.2	0	0	0	113.1	N196 N253 D255	H108-N196 WeakPolarHBondContact CA-OD1 3.34Å; H108-N196 WeakPolarHBondContact CB-OD1 3.41Å; H108-N253 PolarHBondContact CE1-ND2 3.42Å; H108-N253 PolarHBondContact N-O 3.36Å; H108-N253 PolarHBondContact ND1-ND2 3.43Å; H108-N253 WeakPolarHBondContact O-CA 2.92Å; H108-N253 VanDerWaalsContact O-CB 3.23Å; H108-N253 WeakPolarHBondContact O-CB 3.24Å; H108-N253 PolarHBondContact O-N 3.48Å; H108-N253 PolarHBondContact O-ND2 2.93Å; H108-D255 IonicContact CD2-OD2 3.73Å; H108-D255 IonicContact CE1-OD2 3.77Å; H108-D255 IonicContact NE2-OD2 2.79Å; H108-D255 PolarHBondContact NE2-OD2 2.95Å
109	G	96.3	Very high	93.5	Very high	13 Å²	13	44.9 Å²	44.9	13%	0.134	23%	0.23	C	C	.	.			trans	-176.4	170.4	-179.6	0	0	0	0	0	113.6	G111 R195 N196 D252	G109-G111 VanDerWaalsContact C-N 3.34Å; G109-R195 PolarHBondContact O-NH2 3.2Å; G109-N196 PolarHBondContact N-OD1 2.91Å; G109-N196 PolarHBondContact O-ND2 2.94Å; G109-D252 VanDerWaalsContact CA-OD1 3.23Å; G109-D252 WeakPolarHBondContact CA-OD1 3.44Å; G109-D252 PolarHBondContact N-OD1 2.84Å
110	S	93.7	Very high	93.5	Very high	101 Å²	101	44.8 Å²	44.8	71%	0.706	23%	0.23	S	C	*	.	S	Bend	trans	-82.7	-12.4	-173.9	63.4	0	0	0	0	113.7	D80 K112	D80-S110 PolarHBondContact OD2-N 2.96Å; D80-S110 PolarHBondContact OD2-OG 2.87Å; S110-K112 PolarHBondContact O-N 3.16Å
111	G	86.6	Confident	93.5	Very high	19 Å²	19	44.8 Å²	44.8	20%	0.196	23%	0.23	C	C	.	.			trans	-52	123.5	176.7	0	0	0	0	0	112.4	G109 L115 R195	G109-G111 VanDerWaalsContact C-N 3.34Å; G111-L115 WeakPolarHBondContact CA-O 3.39Å; G111-R195 PolarHBondContact O-NH1 2.73Å; G111-R195 PolarHBondContact O-NH2 3.08Å
112	K	80.7	Confident	93.5	Very high	176 Å²	176	45 Å²	45	77%	0.765	23%	0.232	S	C	*	.			trans	-83.8	143.9	179	-66.7	-176.7	-179.3	178.3	0	110.6	S110 N114 L115	S110-K112 PolarHBondContact O-N 3.16Å; K112-N114 PolarHBondContact O-N 3.41Å; K112-L115 PolarHBondContact O-N 3.49Å
113	K	80.9	Confident	93.5	Very high	187 Å²	187	44.2 Å²	44.2	81%	0.813	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	-127.6	-179.8	-55.8	-179.1	178.4	-177.8	0	109.8	H116	K113-H116 PolarHBondContact O-CE1 3.16Å; K113-H116 PolarHBondContact O-ND1 3.27Å
114	N	79.3	Confident	93.5	Very high	128 Å²	128	44.3 Å²	44.3	68%	0.684	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	16.7	-174.8	-54	-5.3	0	0	0	112.9	K112 H116	K112-N114 PolarHBondContact O-N 3.41Å; N114-H116 VanDerWaalsContact C-N 3.31Å; N114-H116 PolarHBondContact O-N 3.41Å
115	L	89.1	Confident	93.6	Very high	117 Å²	117	43.1 Å²	43.1	61%	0.613	22%	0.222	S	C	*	.			trans	-93.2	64.7	178.4	-61.5	177.5	0	0	0	110.1	G111 K112 L250	G111-L115 WeakPolarHBondContact CA-O 3.39Å; K112-L115 PolarHBondContact O-N 3.49Å; L115-L250 HydrophobicContact CB-CD2 3.98Å; L115-L250 HydrophobicContact CD2-CD2 4.2Å
116	H	92.8	Very high	93.6	Very high	17 Å²	17	47.9 Å²	47.9	8%	0.079	24%	0.243	C	C	.	.			trans	-150.6	160.9	179.5	57.4	-101.1	0	0	0	109.9	K113 N114 T150 F151 R195 L250 D252	K113-H116 PolarHBondContact O-CE1 3.16Å; K113-H116 PolarHBondContact O-ND1 3.27Å; N114-H116 VanDerWaalsContact C-N 3.31Å; N114-H116 PolarHBondContact O-N 3.41Å; H116-T150 PolarHBondContact NE2-O 2.86Å; H116-F151 VanDerWaalsContact O-CD2 3.22Å; H116-F151 WeakPolarHBondContact O-CD2 3.19Å; H116-R195 VanDerWaalsContact CB-CZ 3.49Å; H116-R195 WeakPolarHBondContact CD2-CD 3.46Å; H116-R195 PolarHBondContact CD2-NE 2.67Å; H116-R195 VanDerWaalsContact CG-CZ 3.44Å; H116-R195 VanDerWaalsContact CG-NE 3.25Å; H116-R195 PolarHBondContact ND1-NH1 3.11Å; H116-R195 WeakPolarHBondContact NE2-CD 3.44Å; H116-L250 WeakPolarHBondContact O-CD1 3.44Å; H116-D252 WeakPolarHBondContact CB-OD2 3.29Å; H116-D252 IonicContact CD2-OD2 3.78Å; H116-D252 IonicContact CG-OD2 3.86Å
117	G	91.3	Very high	93.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.244	C	C	.	.			trans	166.6	173.4	-177.6	0	0	0	0	0	114.6	S251 D252	G117-S251 CarbonylContact O-C 3.59Å; G117-S251 VanDerWaalsContact O-C 3.29Å; G117-S251 VanDerWaalsContact O-CA 3.26Å; G117-S251 WeakPolarHBondContact O-CA 3.37Å; G117-D252 PolarHBondContact O-N 2.94Å
118	D	92.5	Very high	93.4	Very high	20 Å²	20	51.4 Å²	51.4	11%	0.107	26%	0.259	C	S	.	.			cis	-101.2	-38.5	-2.6	-72.2	10.1	0	0	0	111	F135 T150 H178 A246	D118-F135 HydrophobicContact CB-CE1 4.36Å; D118-T150 VanDerWaalsContact C-OG1 3.29Å; D118-T150 PolarHBondContact O-N 3.06Å; D118-T150 PolarHBondContact O-OG1 3.44Å; D118-H178 IonicContact OD2-CE1 3.57Å; D118-H178 IonicContact OD2-NE2 3.6Å; D118-H178 PolarHBondContact OD2-NE2 3.1Å; D118-A246 PolarHBondContact N-O 2.89Å; D118-A246 VanDerWaalsContact N-O 3.1Å
119	G	96.9	Very high	93.3	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.9	-164.6	174.4	0	0	0	0	0	114.4	L148 A245 H254	G119-L148 VanDerWaalsContact CA-O 3.23Å; G119-L148 WeakPolarHBondContact CA-O 3.43Å; G119-A245 WeakPolarHBondContact O-CA 3.48Å; G119-A245 VanDerWaalsContact O-CB 3.3Å; G119-A245 WeakPolarHBondContact O-CB 3.37Å; G119-H254 WeakPolarHBondContact CA-NE2 3.33Å; G119-H254 PolarHBondContact N-NE2 3.12Å; G119-H254 PolarHBondContact O-CD2 2.98Å
120	I	98.6	Very high	93.2	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.5	176.9	-58.8	-179.9	0	0	0	109.3	L77 F105 V107 L122 L148 S244 A245 H254	L77-I120 HydrophobicContact CD1-CG2 4.38Å; F105-I120 HydrophobicContact CB-CD1 4.38Å; F105-I120 HydrophobicContact CD2-CD1 4.32Å; V107-I120 HydrophobicContact CG2-CD1 3.83Å; V107-I120 HydrophobicContact CG2-CG1 4.27Å; I120-L122 HydrophobicContact CG2-CD2 4.25Å; I120-L122 HydrophobicContact CG2-CG 4.5Å; I120-L148 HydrophobicContact CB-CB 4.33Å; I120-L148 PolarHBondContact N-O 3.12Å; I120-L148 VanDerWaalsContact N-O 3.14Å; I120-L148 PolarHBondContact O-N 2.92Å; I120-S244 CarbonylContact C-O 3.6Å; I120-S244 WeakPolarHBondContact CA-O 3.38Å; I120-A245 HydrophobicContact CG1-CB 4.39Å; I120-H254 HydrophobicContact CD1-CB 4.07Å; I120-H254 HydrophobicContact CG1-CB 3.89Å
121	A	98.8	Very high	93.3	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.3	163.9	0	0	0	0	0	110.7	W123 F135 I146 F147 A243 S244	A121-W123 HydrophobicContact CB-CD2 4.47Å; A121-W123 VanDerWaalsContact CB-CE2 3.48Å; A121-W123 HydrophobicContact CB-CH2 4.31Å; A121-W123 HydrophobicContact CB-CZ2 3.37Å; A121-W123 PolarHBondContact O-NE1 2.73Å; A121-F135 HydrophobicContact CB-CB 3.62Å; A121-F135 HydrophobicContact CB-CD2 4.24Å; A121-F135 HydrophobicContact CB-CG 4.07Å; A121-I146 CarbonylContact C-O 3.58Å; A121-I146 WeakPolarHBondContact CA-O 3.07Å; A121-F147 HydrophobicContact CB-CD1 3.72Å; A121-F147 HydrophobicContact CB-CE1 3.99Å; A121-A243 CarbonylContact O-C 3.59Å; A121-A243 VanDerWaalsContact O-CA 3.25Å; A121-A243 WeakPolarHBondContact O-CA 3.29Å; A121-S244 PolarHBondContact N-O 2.96Å; A121-S244 PolarHBondContact O-N 3.25Å
122	L	98.9	Very high	93.8	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.042	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.9	172.6	-58.7	171.4	0	0	0	109	V103 I120 A145 I146 L148 L203 I205 A243 M259	V103-L122 HydrophobicContact CB-CD1 4.29Å; V103-L122 HydrophobicContact CG1-CD1 4.37Å; V103-L122 HydrophobicContact CG1-CD2 4.19Å; V103-L122 HydrophobicContact CG2-CD1 3.92Å; V103-L122 HydrophobicContact CG2-CD2 4.34Å; I120-L122 HydrophobicContact CG2-CD2 4.25Å; I120-L122 HydrophobicContact CG2-CG 4.5Å; L122-A145 CarbonylContact O-C 3.58Å; L122-A145 WeakPolarHBondContact O-CA 3.39Å; L122-I146 HydrophobicContact CB-CB 4.32Å; L122-I146 PolarHBondContact N-O 2.68Å; L122-I146 PolarHBondContact O-N 2.89Å; L122-L148 HydrophobicContact CD1-CD1 4.23Å; L122-L148 HydrophobicContact CG-CD1 4.48Å; L122-L203 HydrophobicContact CD1-CD2 3.42Å; L122-L203 VanDerWaalsContact CD1-CD2 3.42Å; L122-I205 HydrophobicContact CB-CD1 4.18Å; L122-I205 HydrophobicContact CD1-CD1 3.68Å; L122-A243 HydrophobicContact CD2-CB 3.69Å; L122-M259 HydrophobicContact CD2-CE 4.37Å
123	W	98.9	Very high	94.5	Very high	5 Å²	5	49.7 Å²	49.7	2%	0.019	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.4	-165.8	-56.9	99.4	0	0	0	111.8	W89 A121 T125 V134 N137 F141 A145 F147 F241 G242 S244	W89-W123 HydrophobicContact CH2-CB 3.54Å; W89-W123 AromaticContact CH2-CD1 3.82Å; W89-W123 HydrophobicContact CH2-CD2 4.25Å; W89-W123 AromaticContact CH2-CG 3.58Å; W89-W123 HydrophobicContact CH2-CG 3.58Å; W89-W123 AromaticContact CZ2-CD1 3.97Å; W89-W123 HydrophobicContact CZ2-CG 4.17Å; W89-W123 HydrophobicContact CZ3-CB 3.75Å; W89-W123 HydrophobicContact CZ3-CG 4.28Å; A121-W123 HydrophobicContact CB-CD2 4.47Å; A121-W123 VanDerWaalsContact CB-CE2 3.48Å; A121-W123 HydrophobicContact CB-CH2 4.31Å; A121-W123 HydrophobicContact CB-CZ2 3.37Å; A121-W123 PolarHBondContact O-NE1 2.73Å; W123-T125 HydrophobicContact CB-CG2 4.21Å; W123-T125 HydrophobicContact CE3-CG2 3.76Å; W123-V134 HydrophobicContact CH2-CB 4.24Å; W123-V134 HydrophobicContact CH2-CG1 3.79Å; W123-V134 HydrophobicContact CZ2-CG1 4.37Å; W123-N137 HydrophobicContact CH2-CB 3.94Å; W123-N137 HydrophobicContact CZ2-CB 3.36Å; W123-F141 HydrophobicContact CE3-CD2 4.47Å; W123-F141 HydrophobicContact CE3-CG 4.44Å; W123-F141 HydrophobicContact CH2-CD1 4.22Å; W123-F141 HydrophobicContact CH2-CE1 4.32Å; W123-F141 HydrophobicContact CZ3-CB 4.47Å; W123-F141 AromaticContact CZ3-CD1 3.58Å; W123-F141 HydrophobicContact CZ3-CD1 3.58Å; W123-F141 HydrophobicContact CZ3-CD2 4.13Å; W123-F141 AromaticContact CZ3-CE1 3.73Å; W123-F141 HydrophobicContact CZ3-CE1 3.73Å; W123-F141 HydrophobicContact CZ3-CE2 4.25Å; W123-F141 AromaticContact CZ3-CG 3.8Å; W123-F141 HydrophobicContact CZ3-CG 3.8Å; W123-F141 HydrophobicContact CZ3-CZ 4.06Å; W123-A145 HydrophobicContact CD2-CB 4.49Å; W123-A145 HydrophobicContact CE3-CB 3.62Å; W123-A145 HydrophobicContact CH2-CB 4.11Å; W123-A145 HydrophobicContact CZ3-CB 3.42Å; W123-A145 VanDerWaalsContact CZ3-CB 3.42Å; W123-F147 AromaticContact CH2-CE1 3.89Å; W123-F147 HydrophobicContact CH2-CE1 3.89Å; W123-F147 HydrophobicContact CH2-CZ 4.42Å; W123-F147 HydrophobicContact CZ2-CE1 4.31Å; W123-F147 HydrophobicContact CZ3-CE1 4.45Å; W123-F241 VanDerWaalsContact O-CA 3.31Å; W123-F241 WeakPolarHBondContact O-CA 3.34Å; W123-G242 PolarHBondContact N-O 2.63Å; W123-G242 PolarHBondContact O-N 3.48Å; W123-S244 PolarHBondContact NE1-OG 2.97Å
124	Y	98.9	Very high	95.3	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	92.6	156.8	177.5	-104.3	0	0	0	107.9	C94 W99 G143 L144 L235 P236 T237 Y239 F240 F241	C94-Y124 HydrophobicContact CB-CE2 4.13Å; W99-Y124 HydrophobicContact CZ2-CD1 4.37Å; W99-Y124 HydrophobicContact CZ2-CD2 4.46Å; W99-Y124 HydrophobicContact CZ2-CG 4.2Å; Y124-G143 WeakPolarHBondContact O-CA 3.28Å; Y124-L144 PolarHBondContact N-O 2.78Å; Y124-L144 PolarHBondContact O-N 3.4Å; Y124-L235 HydrophobicContact CD1-CD1 4.24Å; Y124-L235 HydrophobicContact CE1-CB 4.17Å; Y124-P236 VanDerWaalsContact CE1-O 3.25Å; Y124-P236 WeakPolarHBondContact CE1-O 3.4Å; Y124-P236 PolarHBondContact OH-O 2.8Å; Y124-T237 WeakPolarHBondContact OH-CA 3.49Å; Y124-Y239 HydrophobicContact CD1-CD2 4.28Å; Y124-Y239 HydrophobicContact CE1-CD2 4.12Å; Y124-Y239 HydrophobicContact CE1-CG 4.25Å; Y124-F240 CarbonylContact C-O 3.54Å; Y124-F240 VanDerWaalsContact CA-O 3.3Å; Y124-F240 WeakPolarHBondContact CA-O 3.4Å; Y124-F241 AromaticContact CD2-CD1 3.91Å; Y124-F241 HydrophobicContact CD2-CD1 3.91Å; Y124-F241 HydrophobicContact CD2-CD2 4.41Å; Y124-F241 AromaticContact CD2-CE1 3.55Å; Y124-F241 HydrophobicContact CD2-CE1 3.55Å; Y124-F241 HydrophobicContact CD2-CE2 4.09Å; Y124-F241 HydrophobicContact CD2-CG 4.33Å; Y124-F241 AromaticContact CD2-CZ 3.65Å; Y124-F241 HydrophobicContact CD2-CZ 3.65Å; Y124-F241 HydrophobicContact CE2-CE1 4.38Å; Y124-F241 HydrophobicContact CE2-CE2 4.24Å; Y124-F241 HydrophobicContact CE2-CZ 4.02Å; Y124-F241 HydrophobicContact CG-CE1 4.15Å
125	T	98.7	Very high	96.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	156.5	-165.4	55.1	0	0	0	0	114.3	W89 W123 D127 F141 H142 Y239 F240	W89-T125 WeakPolarHBondContact CH2-OG1 3.46Å; W89-T125 VanDerWaalsContact CZ3-OG1 3.23Å; W89-T125 WeakPolarHBondContact CZ3-OG1 3.46Å; W123-T125 HydrophobicContact CB-CG2 4.21Å; W123-T125 HydrophobicContact CE3-CG2 3.76Å; T125-D127 PolarHBondContact OG1-O 3.44Å; T125-F141 HydrophobicContact CG2-CB 4.2Å; T125-F141 HydrophobicContact CG2-CD2 3.78Å; T125-F141 HydrophobicContact CG2-CG 4.29Å; T125-H142 CarbonylContact C-O 3.55Å; T125-H142 VanDerWaalsContact CA-O 3.23Å; T125-H142 WeakPolarHBondContact CA-O 3.35Å; T125-H142 WeakPolarHBondContact CB-O 3.4Å; T125-Y239 VanDerWaalsContact C-CD2 3.43Å; T125-Y239 VanDerWaalsContact C-CG 3.49Å; T125-Y239 WeakPolarHBondContact O-CB 3.49Å; T125-F240 PolarHBondContact N-O 2.03Å; T125-F240 PolarHBondContact O-N 2.83Å
126	K	98.4	Very high	96.6	Very high	105 Å²	105	29.2 Å²	29.2	46%	0.457	15%	0.152	S	C	.	.	S	Bend	trans	-61.2	-47.8	178.1	-173.5	-179.9	174.3	-176	0	112.8	H142 Y239 F240	K126-H142 HydrophobicContact CB-CB 3.88Å; K126-H142 HydrophobicContact CD-CB 4.38Å; K126-H142 PolarHBondContact N-O 2.91Å; K126-Y239 HydrophobicContact CB-CD1 4.03Å; K126-Y239 HydrophobicContact CB-CD2 4.44Å; K126-Y239 HydrophobicContact CB-CE1 3.57Å; K126-Y239 HydrophobicContact CB-CE2 4.02Å; K126-Y239 HydrophobicContact CB-CG 4.43Å; K126-Y239 HydrophobicContact CD-CE1 4.44Å; K126-Y239 HydrophobicContact CG-CD1 4.4Å; K126-Y239 HydrophobicContact CG-CE1 3.83Å; K126-Y239 VanDerWaalsContact N-CD2 3.32Å; K126-F240 VanDerWaalsContact O-CD2 3.27Å; K126-F240 WeakPolarHBondContact O-CD2 3.49Å; K126-F240 WeakPolarHBondContact O-CE2 3.46Å
127	D	97.6	Very high	96.9	Very high	53 Å²	53	28.5 Å²	28.5	28%	0.283	15%	0.149	S	C	.	.			trans	-101.8	149	-177.9	-49.8	-57.7	0	0	0	109.3	T125 Q138	T125-D127 PolarHBondContact OG1-O 3.44Å; D127-Q138 PolarHBondContact OD2-NE2 3Å
128	R	96.1	Very high	97.1	Very high	82 Å²	82	30.4 Å²	30.4	31%	0.309	16%	0.158	S	C	.	.			trans	-127.6	160.2	176	70.8	176.1	-169.6	-74.6	-3.6	109.9	D63 W89 H130 F240	D63-R128 IonicContact OD2-NE 3.56Å; W89-R128 HydrophobicContact CB-CB 3.97Å; W89-R128 HydrophobicContact CD2-CB 3.59Å; W89-R128 HydrophobicContact CE3-CB 3.44Å; W89-R128 VanDerWaalsContact CE3-CB 3.44Å; W89-R128 HydrophobicContact CG-CB 3.83Å; W89-R128 HydrophobicContact CZ3-CB 4.15Å; R128-H130 VanDerWaalsContact C-N 3.31Å; R128-H130 PolarHBondContact O-CE1 3.29Å; R128-H130 PolarHBondContact O-N 3.32Å; R128-H130 PolarHBondContact O-ND1 3.32Å; R128-F240 HydrophobicContact CB-CB 4.37Å; R128-F240 HydrophobicContact CB-CG 4.43Å
129	L	94.1	Very high	97.4	Very high	55 Å²	55	31.3 Å²	31.3	29%	0.288	16%	0.163	S	C	.	.	S	Bend	trans	58.8	33.4	174.6	-61.7	170.3	0	0	0	115.6	D63 W65 W89	D63-L129 HydrophobicContact CB-CD1 3.74Å; D63-L129 HydrophobicContact CB-CD2 3.85Å; D63-L129 HydrophobicContact CB-CG 4.19Å; D63-L129 WeakPolarHBondContact OD2-CD1 3.42Å; W65-L129 HydrophobicContact CB-CD2 3.81Å; W65-L129 HydrophobicContact CG-CD2 4.46Å; W89-L129 HydrophobicContact CB-CD2 4.31Å; W89-L129 HydrophobicContact CB-CG 4.27Å; W89-L129 HydrophobicContact CG-CD2 4.17Å; W89-L129 HydrophobicContact CG-CG 4.2Å
130	H	95.3	Very high	97.4	Very high	93 Å²	93	36 Å²	36	43%	0.431	19%	0.185	S	C	.	.			trans	-110.4	102.5	172.8	-70.8	77.8	0	0	0	109	R128 N137 Q138	R128-H130 VanDerWaalsContact C-N 3.31Å; R128-H130 PolarHBondContact O-CE1 3.29Å; R128-H130 PolarHBondContact O-N 3.32Å; R128-H130 PolarHBondContact O-ND1 3.32Å; H130-N137 CarbonylContact O-C 3.48Å; H130-N137 PolarHBondContact O-OD1 3.19Å; H130-Q138 HydrophobicContact CB-CB 3.91Å; H130-Q138 HydrophobicContact CB-CG 3.93Å; H130-Q138 VanDerWaalsContact CG-OE1 3.3Å; H130-Q138 PolarHBondContact O-N 3.17Å
131	P	96	Very high	97.3	Very high	62 Å²	62	35.9 Å²	35.9	40%	0.403	18%	0.184	S	C	.	.			trans	-69.6	153.9	-178.7	31.1	-37.2	0	0	0	111.8	W65 G136	W65-P131 HydrophobicContact CE3-CB 4.3Å; W65-P131 HydrophobicContact CH2-CB 3.22Å; W65-P131 HydrophobicContact CH2-CG 3.71Å; W65-P131 HydrophobicContact CZ2-CB 3.64Å; W65-P131 HydrophobicContact CZ2-CG 3.56Å; W65-P131 HydrophobicContact CZ3-CB 3.59Å; W65-P131 HydrophobicContact CZ3-CG 4.43Å; P131-G136 WeakPolarHBondContact CA-O 3.3Å
132	G	96.3	Very high	97.3	Very high	16 Å²	16	38.7 Å²	38.7	17%	0.165	20%	0.197	C	C	.	.			trans	-177.3	-170.5	-179	0	0	0	0	0	113.9	V134 G136 N137	G132-V134 VanDerWaalsContact C-N 3.31Å; G132-V134 PolarHBondContact O-N 2.94Å; G132-G136 CarbonylContact O-C 3.52Å; G132-G136 WeakPolarHBondContact O-CA 3.17Å; G132-N137 CarbonylContact C-O 3.54Å; G132-N137 WeakPolarHBondContact CA-O 3.29Å; G132-N137 VanDerWaalsContact N-C 3.34Å; G132-N137 PolarHBondContact N-O 3.43Å
133	P	96.4	Very high	97.3	Very high	89 Å²	89	38.3 Å²	38.3	58%	0.578	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-16.4	-170.5	31.2	-35.3	0	0	0	113.6	F135 D139	P133-F135 PolarHBondContact O-N 2.89Å; P133-D139 HydrophobicContact CG-CB 4.11Å
134	V	97.9	Very high	97.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-90.2	89.4	-173	-169.9	0	0	0	0	109.3	W123 G132 G136 N137 D139 F147 Y176	W123-V134 HydrophobicContact CH2-CB 4.24Å; W123-V134 HydrophobicContact CH2-CG1 3.79Å; W123-V134 HydrophobicContact CZ2-CG1 4.37Å; G132-V134 VanDerWaalsContact C-N 3.31Å; G132-V134 PolarHBondContact O-N 2.94Å; V134-G136 PolarHBondContact O-N 2.73Å; V134-N137 PolarHBondContact N-O 3.12Å; V134-N137 PolarHBondContact O-N 3.07Å; V134-D139 HydrophobicContact CG2-CB 3.82Å; V134-F147 HydrophobicContact CG1-CE1 3.66Å; V134-F147 HydrophobicContact CG1-CZ 3.92Å; V134-Y176 HydrophobicContact CG1-CD1 3.99Å; V134-Y176 HydrophobicContact CG1-CD2 4.33Å; V134-Y176 HydrophobicContact CG1-CG 3.84Å; V134-Y176 HydrophobicContact CG2-CD1 4.34Å; V134-Y176 HydrophobicContact CG2-CG 4.29Å
135	F	98	Very high	97.3	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	36.6	-176.8	-62.5	-89.4	0	0	0	113.1	D118 A121 P133 F147 D149 Y176 S244 A245	D118-F135 HydrophobicContact CB-CE1 4.36Å; A121-F135 HydrophobicContact CB-CB 3.62Å; A121-F135 HydrophobicContact CB-CD2 4.24Å; A121-F135 HydrophobicContact CB-CG 4.07Å; P133-F135 PolarHBondContact O-N 2.89Å; F135-F147 AromaticContact CD2-CD1 3.55Å; F135-F147 HydrophobicContact CD2-CD1 3.55Å; F135-F147 AromaticContact CD2-CE1 3.98Å; F135-F147 HydrophobicContact CD2-CE1 3.98Å; F135-F147 HydrophobicContact CD2-CG 4.37Å; F135-F147 HydrophobicContact CE2-CB 4.12Å; F135-F147 AromaticContact CE2-CD1 3.64Å; F135-F147 HydrophobicContact CE2-CD1 3.64Å; F135-F147 HydrophobicContact CE2-CE1 4.31Å; F135-F147 HydrophobicContact CE2-CG 4.01Å; F135-F147 HydrophobicContact CZ-CB 4.46Å; F135-D149 HydrophobicContact CZ-CB 4Å; F135-Y176 HydrophobicContact CE2-CE1 4.07Å; F135-Y176 AromaticContact CE2-CZ 3.83Å; F135-S244 CarbonylContact O-C 3.6Å; F135-S244 VanDerWaalsContact O-C 3.26Å; F135-S244 WeakPolarHBondContact O-CB 3.32Å; F135-S244 PolarHBondContact O-OG 2.8Å; F135-A245 CarbonylContact O-C 3.59Å; F135-A245 VanDerWaalsContact O-C 3.25Å; F135-A245 VanDerWaalsContact O-CA 3.31Å; F135-A245 WeakPolarHBondContact O-CA 3.36Å; F135-A245 PolarHBondContact O-N 3.07Å; F135-A245 VanDerWaalsContact O-N 3.12Å
136	G	96.9	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	3.8	179.2	0	0	0	0	0	115.6	P131 G132 V134	P131-G136 WeakPolarHBondContact CA-O 3.3Å; G132-G136 CarbonylContact O-C 3.52Å; G132-G136 WeakPolarHBondContact O-CA 3.17Å; V134-G136 PolarHBondContact O-N 2.73Å
137	N	97.8	Very high	97.3	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.011	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-116.3	164.5	174.7	-167.2	32.8	0	0	0	111.8	W89 W123 H130 G132 V134	W89-N137 WeakPolarHBondContact CZ2-OD1 3.4Å; W123-N137 HydrophobicContact CH2-CB 3.94Å; W123-N137 HydrophobicContact CZ2-CB 3.36Å; H130-N137 CarbonylContact O-C 3.48Å; H130-N137 PolarHBondContact O-OD1 3.19Å; G132-N137 CarbonylContact C-O 3.54Å; G132-N137 WeakPolarHBondContact CA-O 3.29Å; G132-N137 VanDerWaalsContact N-C 3.34Å; G132-N137 PolarHBondContact N-O 3.43Å; V134-N137 PolarHBondContact N-O 3.12Å; V134-N137 PolarHBondContact O-N 3.07Å
138	Q	97.3	Very high	97.4	Very high	39 Å²	39	30.7 Å²	30.7	18%	0.182	16%	0.16	C	C	.	.			trans	-58.4	142.4	177.6	68.8	177.4	17	0	0	112.3	D127 H130	D127-Q138 PolarHBondContact OD2-NE2 3Å; H130-Q138 HydrophobicContact CB-CB 3.91Å; H130-Q138 HydrophobicContact CB-CG 3.93Å; H130-Q138 VanDerWaalsContact CG-OE1 3.3Å; H130-Q138 PolarHBondContact O-N 3.17Å
139	D	97.1	Very high	97.4	Very high	40 Å²	40	26.9 Å²	26.9	21%	0.214	15%	0.146	C	C	.	.	S	Bend	trans	-74	167.7	167.6	-167.4	18.7	0	0	0	110.6	P133 V134 F141 S175 Y176	P133-D139 HydrophobicContact CG-CB 4.11Å; V134-D139 HydrophobicContact CG2-CB 3.82Å; D139-F141 VanDerWaalsContact C-N 3.25Å; D139-F141 PolarHBondContact O-N 3.08Å; D139-S175 WeakPolarHBondContact OD1-CA 3.35Å; D139-S175 WeakPolarHBondContact OD2-CA 3.4Å; D139-S175 WeakPolarHBondContact OD2-CB 3.42Å; D139-S175 PolarHBondContact OD2-OG 3.08Å; D139-Y176 PolarHBondContact OD1-N 3.1Å
140	Q	97.1	Very high	97.5	Very high	97 Å²	97	24.5 Å²	24.5	45%	0.453	13%	0.133	S	C	.	.	S	Bend	trans	53	45.7	179	-61.4	-177.1	-52.7	0	0	112	G172 T173	Q140-G172 VanDerWaalsContact O-CA 3.32Å; Q140-G172 WeakPolarHBondContact O-CA 3.21Å; Q140-T173 PolarHBondContact NE2-O 3.46Å
141	F	98.2	Very high	97.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.124	C	C	.	.			trans	-70.3	162.3	176.3	62.3	-87.8	0	0	0	111.8	W123 T125 D139 A145 F147 M168 N170 G172	W123-F141 HydrophobicContact CE3-CD2 4.47Å; W123-F141 HydrophobicContact CE3-CG 4.44Å; W123-F141 HydrophobicContact CH2-CD1 4.22Å; W123-F141 HydrophobicContact CH2-CE1 4.32Å; W123-F141 HydrophobicContact CZ3-CB 4.47Å; W123-F141 AromaticContact CZ3-CD1 3.58Å; W123-F141 HydrophobicContact CZ3-CD1 3.58Å; W123-F141 HydrophobicContact CZ3-CD2 4.13Å; W123-F141 AromaticContact CZ3-CE1 3.73Å; W123-F141 HydrophobicContact CZ3-CE1 3.73Å; W123-F141 HydrophobicContact CZ3-CE2 4.25Å; W123-F141 AromaticContact CZ3-CG 3.8Å; W123-F141 HydrophobicContact CZ3-CG 3.8Å; W123-F141 HydrophobicContact CZ3-CZ 4.06Å; T125-F141 HydrophobicContact CG2-CB 4.2Å; T125-F141 HydrophobicContact CG2-CD2 3.78Å; T125-F141 HydrophobicContact CG2-CG 4.29Å; D139-F141 VanDerWaalsContact C-N 3.25Å; D139-F141 PolarHBondContact O-N 3.08Å; F141-A145 HydrophobicContact CE1-CB 4.11Å; F141-A145 HydrophobicContact CE2-CB 3.85Å; F141-A145 HydrophobicContact CZ-CB 3.46Å; F141-A145 VanDerWaalsContact CZ-CB 3.46Å; F141-F147 HydrophobicContact CE1-CZ 4.39Å; F141-M168 HydrophobicContact CE1-CE 4.31Å; F141-M168 HydrophobicContact CE1-SD 3.9Å; F141-M168 HydrophobicContact CZ-CB 4.29Å; F141-M168 HydrophobicContact CZ-CE 4.46Å; F141-M168 HydrophobicContact CZ-CG 3.96Å; F141-M168 HydrophobicContact CZ-SD 3.88Å; F141-N170 HydrophobicContact CD1-CB 4.47Å; F141-N170 HydrophobicContact CD2-CB 3.92Å; F141-N170 HydrophobicContact CE1-CB 4.18Å; F141-N170 HydrophobicContact CE2-CB 3.6Å; F141-N170 HydrophobicContact CG-CB 4.35Å; F141-N170 HydrophobicContact CZ-CB 3.74Å; F141-N170 CarbonylContact O-C 3.57Å; F141-N170 VanDerWaalsContact O-CB 3.23Å; F141-N170 WeakPolarHBondContact O-CB 3.28Å; F141-N170 VanDerWaalsContact O-CG 3.24Å; F141-N170 PolarHBondContact O-ND2 3.05Å; F141-G172 PolarHBondContact O-N 2.95Å
142	H	98.5	Very high	97.2	Very high	59 Å²	59	23.8 Å²	23.8	27%	0.273	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113	170.1	-61.1	76.1	0	0	0	108.7	T125 K126 N170 N171 Y239	T125-H142 CarbonylContact C-O 3.55Å; T125-H142 VanDerWaalsContact CA-O 3.23Å; T125-H142 WeakPolarHBondContact CA-O 3.35Å; T125-H142 WeakPolarHBondContact CB-O 3.4Å; K126-H142 HydrophobicContact CB-CB 3.88Å; K126-H142 HydrophobicContact CD-CB 4.38Å; K126-H142 PolarHBondContact N-O 2.91Å; H142-N170 CarbonylContact C-O 3.6Å; H142-N170 WeakPolarHBondContact CA-O 3.32Å; H142-N171 PolarHBondContact CD2-O 3.02Å; H142-N171 PolarHBondContact NE2-O 2.81Å; H142-Y239 HydrophobicContact CB-CE2 4.43Å; H142-Y239 WeakPolarHBondContact O-CE2 2.98Å
143	G	98.4	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.6	-144.6	177.8	0	0	0	0	0	113.7	Y124 V169 N170	Y124-G143 WeakPolarHBondContact O-CA 3.28Å; G143-V169 WeakPolarHBondContact O-CA 3.42Å; G143-N170 PolarHBondContact N-O 2.89Å; G143-N170 PolarHBondContact O-N 2.81Å
144	L	98.8	Very high	96.5	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.016	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.2	-179.2	172.7	68.9	0	0	0	110.2	W99 Y124 I146 V169 L212 L235	W99-L144 HydrophobicContact CH2-CD2 4.35Å; Y124-L144 PolarHBondContact N-O 2.78Å; Y124-L144 PolarHBondContact O-N 3.4Å; L144-I146 HydrophobicContact CD1-CD1 3.95Å; L144-I146 HydrophobicContact CD2-CD1 4.31Å; L144-I146 HydrophobicContact CG-CD1 4.21Å; L144-V169 HydrophobicContact CD1-CG2 3.75Å; L144-L212 HydrophobicContact CD1-CD2 3.72Å; L144-L212 HydrophobicContact CD2-CD1 3.83Å; L144-L212 HydrophobicContact CD2-CD2 4.32Å; L144-L235 HydrophobicContact CB-CD1 3.89Å; L144-L235 HydrophobicContact CB-CD2 3.97Å; L144-L235 HydrophobicContact CD2-CD1 3.96Å; L144-L235 HydrophobicContact CG-CD1 4.48Å
145	A	98.7	Very high	95.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.7	167.7	0	0	0	0	0	110.4	L122 W123 F141 F147 A167 M168	L122-A145 CarbonylContact O-C 3.58Å; L122-A145 WeakPolarHBondContact O-CA 3.39Å; W123-A145 HydrophobicContact CD2-CB 4.49Å; W123-A145 HydrophobicContact CE3-CB 3.62Å; W123-A145 HydrophobicContact CH2-CB 4.11Å; W123-A145 HydrophobicContact CZ3-CB 3.42Å; W123-A145 VanDerWaalsContact CZ3-CB 3.42Å; F141-A145 HydrophobicContact CE1-CB 4.11Å; F141-A145 HydrophobicContact CE2-CB 3.85Å; F141-A145 HydrophobicContact CZ-CB 3.46Å; F141-A145 VanDerWaalsContact CZ-CB 3.46Å; A145-F147 HydrophobicContact CB-CD1 4.41Å; A145-F147 HydrophobicContact CB-CE1 3.61Å; A145-F147 HydrophobicContact CB-CE2 4.01Å; A145-F147 HydrophobicContact CB-CZ 3.39Å; A145-A167 WeakPolarHBondContact O-CA 3.39Å; A145-M168 PolarHBondContact N-O 2.85Å; A145-M168 PolarHBondContact O-N 2.79Å
146	I	98.8	Very high	94.8	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	117.3	167.3	-49.8	-58.6	0	0	0	107.6	A121 L122 L144 L148 I165 S166 A167 L203 I205 L212 V214	A121-I146 CarbonylContact C-O 3.58Å; A121-I146 WeakPolarHBondContact CA-O 3.07Å; L122-I146 HydrophobicContact CB-CB 4.32Å; L122-I146 PolarHBondContact N-O 2.68Å; L122-I146 PolarHBondContact O-N 2.89Å; L144-I146 HydrophobicContact CD1-CD1 3.95Å; L144-I146 HydrophobicContact CD2-CD1 4.31Å; L144-I146 HydrophobicContact CG-CD1 4.21Å; I146-L148 HydrophobicContact CG2-CD1 4.31Å; I146-I165 HydrophobicContact CG2-CG2 3.98Å; I146-S166 CarbonylContact C-O 3.57Å; I146-S166 WeakPolarHBondContact CA-O 3.39Å; I146-A167 HydrophobicContact CD1-CB 3.57Å; I146-L203 HydrophobicContact CG2-CD2 4.11Å; I146-I205 HydrophobicContact CB-CD1 4.25Å; I146-I205 HydrophobicContact CG1-CD1 3.71Å; I146-I205 HydrophobicContact CG1-CG1 4.15Å; I146-I205 HydrophobicContact CG1-CG2 4.35Å; I146-L212 HydrophobicContact CD1-CD2 4.43Å; I146-V214 HydrophobicContact CD1-CG2 3.91Å; I146-V214 HydrophobicContact CG2-CG1 4.45Å
147	F	98.7	Very high	93.6	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132.3	-178.6	-54.2	-60.6	0	0	0	109.7	A121 W123 V134 F135 F141 A145 I165 S166 M168 Y176	A121-F147 HydrophobicContact CB-CD1 3.72Å; A121-F147 HydrophobicContact CB-CE1 3.99Å; W123-F147 AromaticContact CH2-CE1 3.89Å; W123-F147 HydrophobicContact CH2-CE1 3.89Å; W123-F147 HydrophobicContact CH2-CZ 4.42Å; W123-F147 HydrophobicContact CZ2-CE1 4.31Å; W123-F147 HydrophobicContact CZ3-CE1 4.45Å; V134-F147 HydrophobicContact CG1-CE1 3.66Å; V134-F147 HydrophobicContact CG1-CZ 3.92Å; F135-F147 AromaticContact CD2-CD1 3.55Å; F135-F147 HydrophobicContact CD2-CD1 3.55Å; F135-F147 AromaticContact CD2-CE1 3.98Å; F135-F147 HydrophobicContact CD2-CE1 3.98Å; F135-F147 HydrophobicContact CD2-CG 4.37Å; F135-F147 HydrophobicContact CE2-CB 4.12Å; F135-F147 AromaticContact CE2-CD1 3.64Å; F135-F147 HydrophobicContact CE2-CD1 3.64Å; F135-F147 HydrophobicContact CE2-CE1 4.31Å; F135-F147 HydrophobicContact CE2-CG 4.01Å; F135-F147 HydrophobicContact CZ-CB 4.46Å; F141-F147 HydrophobicContact CE1-CZ 4.39Å; A145-F147 HydrophobicContact CB-CD1 4.41Å; A145-F147 HydrophobicContact CB-CE1 3.61Å; A145-F147 HydrophobicContact CB-CE2 4.01Å; A145-F147 HydrophobicContact CB-CZ 3.39Å; F147-I165 CarbonylContact O-C 3.46Å; F147-I165 WeakPolarHBondContact O-CA 3.33Å; F147-S166 PolarHBondContact N-O 2.83Å; F147-S166 PolarHBondContact O-N 3.08Å; F147-M168 HydrophobicContact CE2-CB 3.64Å; F147-M168 HydrophobicContact CE2-SD 4.1Å; F147-M168 HydrophobicContact CZ-CB 4.35Å; F147-M168 HydrophobicContact CZ-SD 4.32Å; F147-Y176 HydrophobicContact CD2-CD2 4.35Å; F147-Y176 AromaticContact CD2-CE2 3.72Å; F147-Y176 HydrophobicContact CD2-CE2 3.72Å; F147-Y176 AromaticContact CE2-CD2 3.63Å; F147-Y176 HydrophobicContact CE2-CD2 3.63Å; F147-Y176 AromaticContact CE2-CE2 3.47Å; F147-Y176 HydrophobicContact CE2-CE2 3.47Å; F147-Y176 VanDerWaalsContact CE2-CE2 3.47Å; F147-Y176 HydrophobicContact CG-CE2 4.31Å; F147-Y176 AromaticContact CZ-CD2 3.79Å; F147-Y176 HydrophobicContact CZ-CD2 3.79Å; F147-Y176 AromaticContact CZ-CE2 3.91Å; F147-Y176 HydrophobicContact CZ-CE2 3.91Å
148	L	98.5	Very high	92.4	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	81.9	169.5	-72.4	72.3	0	0	0	106	F105 G119 I120 L122 I146 I165 I194 L203	F105-L148 HydrophobicContact CD1-CD2 4.29Å; F105-L148 HydrophobicContact CD2-CD2 3.92Å; F105-L148 HydrophobicContact CE1-CD2 3.86Å; F105-L148 HydrophobicContact CE2-CD2 3.44Å; F105-L148 VanDerWaalsContact CE2-CD2 3.44Å; F105-L148 HydrophobicContact CG-CD2 4.32Å; F105-L148 HydrophobicContact CZ-CD2 3.41Å; F105-L148 VanDerWaalsContact CZ-CD2 3.41Å; G119-L148 VanDerWaalsContact CA-O 3.23Å; G119-L148 WeakPolarHBondContact CA-O 3.43Å; I120-L148 HydrophobicContact CB-CB 4.33Å; I120-L148 PolarHBondContact N-O 3.12Å; I120-L148 VanDerWaalsContact N-O 3.14Å; I120-L148 PolarHBondContact O-N 2.92Å; L122-L148 HydrophobicContact CD1-CD1 4.23Å; L122-L148 HydrophobicContact CG-CD1 4.48Å; I146-L148 HydrophobicContact CG2-CD1 4.31Å; L148-I165 HydrophobicContact CG-CG1 4.27Å; L148-I194 HydrophobicContact CB-CD1 3.81Å; L148-I194 HydrophobicContact CD2-CD1 4.09Å; L148-I194 HydrophobicContact CG-CD1 4.3Å; L148-L203 HydrophobicContact CD1-CD2 4.16Å
149	D	97.3	Very high	91.7	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124	-173.6	-167.1	-12.4	0	0	0	110.3	F135 F151 F162 P163 F164	F135-D149 HydrophobicContact CZ-CB 4Å; D149-F151 PolarHBondContact OD1-N 2.8Å; D149-F151 VanDerWaalsContact OD1-O 3.08Å; D149-F162 HydrophobicContact CB-CE1 4.21Å; D149-P163 CarbonylContact O-C 3.52Å; D149-P163 WeakPolarHBondContact O-CA 3.28Å; D149-P163 WeakPolarHBondContact O-CB 3.4Å; D149-F164 PolarHBondContact N-O 2.82Å; D149-F164 PolarHBondContact O-N 2.87Å
150	T	95.9	Very high	91.1	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.025	23%	0.228	C	C	.	.			trans	-103.3	-13.3	-176.6	59.9	0	0	0	0	113.2	V107 H116 D118 P163 I194	V107-T150 HydrophobicContact CG1-CG2 4.15Å; H116-T150 PolarHBondContact NE2-O 2.86Å; D118-T150 VanDerWaalsContact C-OG1 3.29Å; D118-T150 PolarHBondContact O-N 3.06Å; D118-T150 PolarHBondContact O-OG1 3.44Å; T150-P163 HydrophobicContact CG2-CB 4.23Å; T150-P163 HydrophobicContact CG2-CG 4.29Å; T150-I194 HydrophobicContact CG2-CD1 4.16Å
151	F	93.3	Very high	90.9	Very high	53 Å²	53	45.9 Å²	45.9	23%	0.232	23%	0.23	C	C	.	.	S	Bend	trans	-122.1	127.8	-174.2	-174.6	-104.9	0	0	0	111.3	H116 D149 N153 F162 L250	H116-F151 VanDerWaalsContact O-CD2 3.22Å; H116-F151 WeakPolarHBondContact O-CD2 3.19Å; D149-F151 PolarHBondContact OD1-N 2.8Å; D149-F151 VanDerWaalsContact OD1-O 3.08Å; F151-N153 VanDerWaalsContact CD1-OD1 3.3Å; F151-N153 WeakPolarHBondContact CD1-OD1 3.13Å; F151-N153 WeakPolarHBondContact CE1-OD1 3.31Å; F151-N153 PolarHBondContact O-N 2.73Å; F151-N153 PolarHBondContact O-ND2 2.69Å; F151-F162 WeakPolarHBondContact O-CE1 3.44Å; F151-L250 HydrophobicContact CD2-CD1 3.51Å; F151-L250 HydrophobicContact CE2-CD1 3.24Å; F151-L250 HydrophobicContact CG-CD1 4.27Å; F151-L250 HydrophobicContact CZ-CD1 3.81Å
152	R	92.1	Very high	90.7	Very high	88 Å²	88	47.6 Å²	47.6	33%	0.332	24%	0.237	S	C	.	.			trans	-80.2	110	175.5	-177.8	-170.4	-69.6	-179.9	-3.7	109.9	D154 R160 F162	R152-D154 WeakPolarHBondContact CD-O 3.25Å; R152-D154 WeakPolarHBondContact CG-O 3.44Å; R152-R160 PolarHBondContact NH2-O 2.89Å; R152-F162 HydrophobicContact CB-CD1 4.32Å; R152-F162 HydrophobicContact CB-CD2 3.68Å; R152-F162 HydrophobicContact CB-CE1 4.37Å; R152-F162 HydrophobicContact CB-CE2 3.76Å; R152-F162 HydrophobicContact CB-CG 3.98Å; R152-F162 HydrophobicContact CB-CZ 4.11Å; R152-F162 HydrophobicContact CG-CD2 4.02Å; R152-F162 HydrophobicContact CG-CE2 3.7Å; R152-F162 HydrophobicContact CG-CZ 4.19Å
153	N	90.2	Very high	90.6	Very high	41 Å²	41	45.3 Å²	45.3	22%	0.219	23%	0.227	C	C	.	.			trans	-87.3	-33.3	169.9	-58.3	-77.9	0	0	0	112	F151 L155 H178 D181	F151-N153 VanDerWaalsContact CD1-OD1 3.3Å; F151-N153 WeakPolarHBondContact CD1-OD1 3.13Å; F151-N153 WeakPolarHBondContact CE1-OD1 3.31Å; F151-N153 PolarHBondContact O-N 2.73Å; F151-N153 PolarHBondContact O-ND2 2.69Å; N153-L155 PolarHBondContact O-N 3.05Å; N153-H178 WeakPolarHBondContact CB-O 3.21Å; N153-H178 PolarHBondContact ND2-O 3.25Å; N153-D181 WeakPolarHBondContact CB-OD1 3.37Å; N153-D181 PolarHBondContact N-OD1 2.64Å; N153-D181 PolarHBondContact N-OD2 3.43Å; N153-D181 PolarHBondContact ND2-OD1 2.69Å
154	D	88.1	Confident	90.5	Very high	22 Å²	22	46.2 Å²	46.2	12%	0.118	23%	0.231	C	C	.	.			trans	-73.5	99.6	178.5	-170.2	-6.2	0	0	0	111.7	R152 H156 G157 D181	R152-D154 WeakPolarHBondContact CD-O 3.25Å; R152-D154 WeakPolarHBondContact CG-O 3.44Å; D154-H156 PolarHBondContact O-N 2.9Å; D154-H156 WeakPolarHBondContact OD1-CA 3.4Å; D154-H156 PolarHBondContact OD1-N 3.28Å; D154-G157 PolarHBondContact OD1-N 3.42Å; D154-G157 WeakPolarHBondContact OD2-CA 3.34Å; D154-G157 PolarHBondContact OD2-N 3.19Å; D154-D181 WeakPolarHBondContact CB-OD2 3.23Å; D154-D181 PolarHBondContact N-OD2 3.34Å
155	L	81.3	Confident	90.5	Very high	141 Å²	141	46.1 Å²	46.1	74%	0.738	23%	0.231	S	C	*	.	S	Bend	trans	-70.8	-15.1	177.8	-60.5	179.9	0	0	0	113.5	N153	N153-L155 PolarHBondContact O-N 3.05Å
156	H	78.6	Confident	90.5	Very high	176 Å²	176	46.3 Å²	46.3	82%	0.815	23%	0.232	S	C	*	.	S	Bend	trans	-103.1	-26.1	-177.3	-62.7	-66.5	0	0	0	112.8	D154 M158	D154-H156 PolarHBondContact O-N 2.9Å; D154-H156 WeakPolarHBondContact OD1-CA 3.4Å; D154-H156 PolarHBondContact OD1-N 3.28Å; H156-M158 PolarHBondContact O-N 2.85Å
157	G	71.1	Confident	90.5	Very high	8 Å²	8	46.2 Å²	46.2	8%	0.082	23%	0.232	C	C	.	.			trans	-76.8	73.4	175.2	0	0	0	0	0	113.6	D154 D159	D154-G157 PolarHBondContact OD1-N 3.42Å; D154-G157 WeakPolarHBondContact OD2-CA 3.34Å; D154-G157 PolarHBondContact OD2-N 3.19Å; G157-D159 PolarHBondContact O-N 2.81Å
158	M	71.6	Confident	90.4	Very high	152 Å²	152	46.3 Å²	46.3	75%	0.749	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-2.5	-178.5	-68.7	-164.3	-74.9	0	0	115.2	H156	H156-M158 PolarHBondContact O-N 2.85Å
159	D	82.4	Confident	90.4	Very high	109 Å²	109	47.2 Å²	47.2	58%	0.583	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-12.7	-175.5	63.1	-40.2	0	0	0	114.3	G157 R183	G157-D159 PolarHBondContact O-N 2.81Å; D159-R183 IonicContact OD1-CZ 2.63Å; D159-R183 IonicContact OD1-NH1 2.98Å; D159-R183 PolarHBondContact OD1-NH1 3.42Å; D159-R183 IonicContact OD1-NH2 2.73Å; D159-R183 PolarHBondContact OD1-NH2 3.29Å; D159-R183 IonicContact OD2-CZ 3.69Å; D159-R183 IonicContact OD2-NH1 2.64Å; D159-R183 PolarHBondContact OD2-NH1 2.88Å; D159-R183 IonicContact OD2-NH2 3.96Å; D159-R183 PolarHBondContact OD2-NH2 3.34Å
160	R	86.4	Confident	90.5	Very high	31 Å²	31	47.1 Å²	47.1	12%	0.117	24%	0.237	C	C	.	.			trans	-103.8	130.4	178.5	-64.7	177.3	-175	-158.1	-15.6	112	R152 F162 F164 E186	R152-R160 PolarHBondContact NH2-O 2.89Å; R160-F162 HydrophobicContact CB-CD2 4.4Å; R160-F162 HydrophobicContact CB-CE2 3.9Å; R160-F164 HydrophobicContact CB-CD2 4.29Å; R160-F164 HydrophobicContact CB-CE2 4.44Å; R160-F164 HydrophobicContact CG-CD2 4.49Å; R160-F164 HydrophobicContact CG-CE2 4.22Å; R160-F164 HydrophobicContact CG-CZ 4.46Å; R160-E186 IonicContact CZ-OE2 2.7Å; R160-E186 IonicContact NH1-OE2 2.81Å; R160-E186 PolarHBondContact NH1-OE2 3.47Å; R160-E186 VanDerWaalsContact NH2-CD 3.28Å; R160-E186 IonicContact NH2-OE1 3.48Å; R160-E186 PolarHBondContact NH2-OE1 3.34Å; R160-E186 IonicContact NH2-OE2 3.48Å; R160-E186 PolarHBondContact NH2-OE2 3.05Å
161	S	92.3	Very high	90.5	Very high	69 Å²	69	50 Å²	50	48%	0.483	25%	0.252	S	S	.	.			trans	-89.1	135.7	167.4	-172.9	0	0	0	0	109.7	S191	S161-S191 WeakPolarHBondContact CB-OG 3.42Å; S161-S191 VanDerWaalsContact O-CB 3.28Å; S161-S191 WeakPolarHBondContact O-CB 3.15Å; S161-S191 PolarHBondContact O-OG 3.01Å
162	F	93.5	Very high	90.7	Very high	35 Å²	35	48.3 Å²	48.3	15%	0.154	25%	0.251	C	S	.	.	S	Bend	trans	-106	145.2	178.3	-78.3	-107.6	0	0	0	109.9	D149 F151 R152 R160 F164 D181	D149-F162 HydrophobicContact CB-CE1 4.21Å; F151-F162 WeakPolarHBondContact O-CE1 3.44Å; R152-F162 HydrophobicContact CB-CD1 4.32Å; R152-F162 HydrophobicContact CB-CD2 3.68Å; R152-F162 HydrophobicContact CB-CE1 4.37Å; R152-F162 HydrophobicContact CB-CE2 3.76Å; R152-F162 HydrophobicContact CB-CG 3.98Å; R152-F162 HydrophobicContact CB-CZ 4.11Å; R152-F162 HydrophobicContact CG-CD2 4.02Å; R152-F162 HydrophobicContact CG-CE2 3.7Å; R152-F162 HydrophobicContact CG-CZ 4.19Å; R160-F162 HydrophobicContact CB-CD2 4.4Å; R160-F162 HydrophobicContact CB-CE2 3.9Å; F162-F164 HydrophobicContact CD1-CB 4.15Å; F162-F164 HydrophobicContact CE1-CB 4.18Å; F162-F164 HydrophobicContact CG-CB 4.43Å; F162-F164 HydrophobicContact CZ-CB 4.46Å; F162-D181 HydrophobicContact CE1-CB 4.26Å; F162-D181 HydrophobicContact CZ-CB 3.87Å; F162-D181 WeakPolarHBondContact CZ-OD2 3.48Å
163	P	96.1	Very high	90.8	Very high	11 Å²	11	48.6 Å²	48.6	7%	0.071	26%	0.262	C	S	.	.	S	Bend	cis	-67.5	150.7	4.3	-21.4	34.4	0	0	0	114.7	D149 T150 S191 A192 I194 R195	D149-P163 CarbonylContact O-C 3.52Å; D149-P163 WeakPolarHBondContact O-CA 3.28Å; D149-P163 WeakPolarHBondContact O-CB 3.4Å; T150-P163 HydrophobicContact CG2-CB 4.23Å; T150-P163 HydrophobicContact CG2-CG 4.29Å; P163-S191 WeakPolarHBondContact O-CA 3.21Å; P163-S191 PolarHBondContact O-OG 3.28Å; P163-A192 WeakPolarHBondContact CB-O 3.37Å; P163-A192 PolarHBondContact O-N 3.49Å; P163-A192 VanDerWaalsContact O-N 3.12Å; P163-I194 HydrophobicContact CB-CD1 3.92Å; P163-I194 HydrophobicContact CB-CG1 3.66Å; P163-I194 HydrophobicContact CG-CG1 3.87Å; P163-R195 HydrophobicContact CG-CB 4.46Å
164	F	97.3	Very high	91.1	Very high	20 Å²	20	49.4 Å²	49.4	9%	0.088	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.3	-174.9	-161.1	-97.9	0	0	0	110.5	D149 R160 F162	D149-F164 PolarHBondContact N-O 2.82Å; D149-F164 PolarHBondContact O-N 2.87Å; R160-F164 HydrophobicContact CB-CD2 4.29Å; R160-F164 HydrophobicContact CB-CE2 4.44Å; R160-F164 HydrophobicContact CG-CD2 4.49Å; R160-F164 HydrophobicContact CG-CE2 4.22Å; R160-F164 HydrophobicContact CG-CZ 4.46Å; F162-F164 HydrophobicContact CD1-CB 4.15Å; F162-F164 HydrophobicContact CE1-CB 4.18Å; F162-F164 HydrophobicContact CG-CB 4.43Å; F162-F164 HydrophobicContact CZ-CB 4.46Å
165	I	98.4	Very high	91.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.8	176.2	-57.2	178.1	0	0	0	107.8	I146 F147 L148 G189 C190 A192 I194 L203 V214 V216	I146-I165 HydrophobicContact CG2-CG2 3.98Å; F147-I165 CarbonylContact O-C 3.46Å; F147-I165 WeakPolarHBondContact O-CA 3.33Å; L148-I165 HydrophobicContact CG-CG1 4.27Å; I165-G189 CarbonylContact O-C 3.25Å; I165-G189 WeakPolarHBondContact O-CA 3.45Å; I165-C190 PolarHBondContact N-O 2.83Å; I165-C190 PolarHBondContact O-N 2.85Å; I165-A192 HydrophobicContact CD1-CB 3.79Å; I165-A192 HydrophobicContact CG1-CB 4.29Å; I165-I194 HydrophobicContact CD1-CG2 4.33Å; I165-L203 HydrophobicContact CD1-CD1 3.96Å; I165-V214 HydrophobicContact CG2-CG1 4.46Å; I165-V216 HydrophobicContact CD1-CB 4.41Å; I165-V216 HydrophobicContact CD1-CG2 4.26Å
166	S	98.1	Very high	92.2	Very high	5 Å²	5	45.2 Å²	45.2	4%	0.035	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	159	179.3	65.2	0	0	0	0	112.2	I146 F147 G188	I146-S166 CarbonylContact C-O 3.57Å; I146-S166 WeakPolarHBondContact CA-O 3.39Å; F147-S166 PolarHBondContact N-O 2.83Å; F147-S166 PolarHBondContact O-N 3.08Å; S166-G188 WeakPolarHBondContact CA-O 3.26Å
167	A	98.3	Very high	93	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.7	175	0	0	0	0	0	111.6	A145 I146 L187 G188 L212 I228	A145-A167 WeakPolarHBondContact O-CA 3.39Å; I146-A167 HydrophobicContact CD1-CB 3.57Å; A167-L187 PolarHBondContact O-N 2.82Å; A167-G188 PolarHBondContact N-O 2.96Å; A167-G188 VanDerWaalsContact N-O 3.08Å; A167-L212 HydrophobicContact CB-CD2 4.06Å; A167-I228 HydrophobicContact CB-CD1 3.58Å
168	M	98.1	Very high	93.9	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.1	174.3	-179.9	-177.3	179.2	0	0	109.8	F141 A145 F147 N170 V174 Y176 S185	F141-M168 HydrophobicContact CE1-CE 4.31Å; F141-M168 HydrophobicContact CE1-SD 3.9Å; F141-M168 HydrophobicContact CZ-CB 4.29Å; F141-M168 HydrophobicContact CZ-CE 4.46Å; F141-M168 HydrophobicContact CZ-CG 3.96Å; F141-M168 HydrophobicContact CZ-SD 3.88Å; A145-M168 PolarHBondContact N-O 2.85Å; A145-M168 PolarHBondContact O-N 2.79Å; F147-M168 HydrophobicContact CE2-CB 3.64Å; F147-M168 HydrophobicContact CE2-SD 4.1Å; F147-M168 HydrophobicContact CZ-CB 4.35Å; F147-M168 HydrophobicContact CZ-SD 4.32Å; M168-N170 HydrophobicContact CE-CB 4.13Å; M168-N170 WeakPolarHBondContact CE-ND2 3.33Å; M168-V174 HydrophobicContact CE-CB 4Å; M168-V174 HydrophobicContact CE-CG1 3.83Å; M168-Y176 HydrophobicContact SD-CD2 4.02Å; M168-S185 PolarHBondContact SD-OG 3.08Å
169	V	98.3	Very high	94.9	Very high	20 Å²	20	36.8 Å²	36.8	12%	0.121	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.2	168.2	171.2	0	0	0	0	108	G143 L144 L187 V233 L235 P282 V284	G143-V169 WeakPolarHBondContact O-CA 3.42Å; L144-V169 HydrophobicContact CD1-CG2 3.75Å; V169-L187 HydrophobicContact CB-CD1 3.91Å; V169-L187 HydrophobicContact CG2-CD1 3.52Å; V169-V233 HydrophobicContact CG2-CG1 4Å; V169-L235 HydrophobicContact CG1-CD2 4.31Å; V169-L235 HydrophobicContact CG2-CD2 4.39Å; V169-P282 HydrophobicContact CG1-CB 3.92Å; V169-V284 HydrophobicContact CB-CG2 4Å; V169-V284 HydrophobicContact CG1-CG2 4.33Å; V169-V284 HydrophobicContact CG2-CG2 4.18Å
170	N	98.1	Very high	95.4	Very high	2 Å²	2	37 Å²	37	1%	0.011	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	143.6	-174.6	-162.1	-1.8	0	0	0	111.1	F141 H142 G143 M168 G172 T173 V174 P282	F141-N170 HydrophobicContact CD1-CB 4.47Å; F141-N170 HydrophobicContact CD2-CB 3.92Å; F141-N170 HydrophobicContact CE1-CB 4.18Å; F141-N170 HydrophobicContact CE2-CB 3.6Å; F141-N170 HydrophobicContact CG-CB 4.35Å; F141-N170 HydrophobicContact CZ-CB 3.74Å; F141-N170 CarbonylContact O-C 3.57Å; F141-N170 VanDerWaalsContact O-CB 3.23Å; F141-N170 WeakPolarHBondContact O-CB 3.28Å; F141-N170 VanDerWaalsContact O-CG 3.24Å; F141-N170 PolarHBondContact O-ND2 3.05Å; H142-N170 CarbonylContact C-O 3.6Å; H142-N170 WeakPolarHBondContact CA-O 3.32Å; G143-N170 PolarHBondContact N-O 2.89Å; G143-N170 PolarHBondContact O-N 2.81Å; M168-N170 HydrophobicContact CE-CB 4.13Å; M168-N170 WeakPolarHBondContact CE-ND2 3.33Å; N170-G172 PolarHBondContact OD1-N 3.3Å; N170-T173 PolarHBondContact OD1-N 3.23Å; N170-V174 PolarHBondContact ND2-O 3.49Å; N170-V174 PolarHBondContact OD1-N 3.26Å; N170-P282 VanDerWaalsContact O-CB 3.23Å; N170-P282 WeakPolarHBondContact O-CB 3.38Å
171	N	97.3	Very high	95.7	Very high	63 Å²	63	35.8 Å²	35.8	34%	0.337	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	20.1	177.2	67.1	-8	0	0	0	111.9	H142 T173 P282	H142-N171 PolarHBondContact CD2-O 3.02Å; H142-N171 PolarHBondContact NE2-O 2.81Å; N171-T173 WeakPolarHBondContact OD1-CB 3.44Å; N171-T173 WeakPolarHBondContact OD1-CG2 3.3Å; N171-T173 PolarHBondContact OD1-N 3.32Å; N171-T173 PolarHBondContact OD1-OG1 2.83Å; N171-P282 WeakPolarHBondContact CB-O 3.24Å
172	G	97.2	Very high	95.7	Very high	19 Å²	19	32.6 Å²	32.6	20%	0.196	19%	0.191	C	C	.	.	S	Bend	trans	87.1	7.6	-178.3	0	0	0	0	0	115.7	Q140 F141 N170	Q140-G172 VanDerWaalsContact O-CA 3.32Å; Q140-G172 WeakPolarHBondContact O-CA 3.21Å; F141-G172 PolarHBondContact O-N 2.95Å; N170-G172 PolarHBondContact OD1-N 3.3Å
173	T	95.1	Very high	95.6	Very high	93 Å²	93	35.3 Å²	35.3	57%	0.571	20%	0.201	S	C	*	.			trans	-105.9	-29.6	-176.9	63.6	0	0	0	0	113.7	Q140 N170 N171	Q140-T173 PolarHBondContact NE2-O 3.46Å; N170-T173 PolarHBondContact OD1-N 3.23Å; N171-T173 WeakPolarHBondContact OD1-CB 3.44Å; N171-T173 WeakPolarHBondContact OD1-CG2 3.3Å; N171-T173 PolarHBondContact OD1-N 3.32Å; N171-T173 PolarHBondContact OD1-OG1 2.83Å
174	V	94.8	Very high	95.4	Very high	59 Å²	59	39.2 Å²	39.2	36%	0.358	23%	0.229	S	C	.	.			trans	-96.2	130.6	-173.2	-174.6	0	0	0	0	109.9	M168 N170	M168-V174 HydrophobicContact CE-CB 4Å; M168-V174 HydrophobicContact CE-CG1 3.83Å; N170-V174 PolarHBondContact ND2-O 3.49Å; N170-V174 PolarHBondContact OD1-N 3.26Å
175	S	96.8	Very high	95.2	Very high	63 Å²	63	39.2 Å²	39.2	44%	0.441	23%	0.231	S	C	.	.			trans	-87	139.8	172.7	176.2	0	0	0	0	110	D139 D177	D139-S175 WeakPolarHBondContact OD1-CA 3.35Å; D139-S175 WeakPolarHBondContact OD2-CA 3.4Å; D139-S175 WeakPolarHBondContact OD2-CB 3.42Å; D139-S175 PolarHBondContact OD2-OG 3.08Å; S175-D177 PolarHBondContact O-N 3.39Å
176	Y	96.9	Very high	95	Very high	12 Å²	12	41.4 Å²	41.4	5%	0.047	24%	0.241	C	C	.	.			trans	-76.2	113.8	172.1	-179.4	-90.8	0	0	0	110.3	V134 F135 D139 F147 M168 H178 D181	V134-Y176 HydrophobicContact CG1-CD1 3.99Å; V134-Y176 HydrophobicContact CG1-CD2 4.33Å; V134-Y176 HydrophobicContact CG1-CG 3.84Å; V134-Y176 HydrophobicContact CG2-CD1 4.34Å; V134-Y176 HydrophobicContact CG2-CG 4.29Å; F135-Y176 HydrophobicContact CE2-CE1 4.07Å; F135-Y176 AromaticContact CE2-CZ 3.83Å; D139-Y176 PolarHBondContact OD1-N 3.1Å; F147-Y176 HydrophobicContact CD2-CD2 4.35Å; F147-Y176 AromaticContact CD2-CE2 3.72Å; F147-Y176 HydrophobicContact CD2-CE2 3.72Å; F147-Y176 AromaticContact CE2-CD2 3.63Å; F147-Y176 HydrophobicContact CE2-CD2 3.63Å; F147-Y176 AromaticContact CE2-CE2 3.47Å; F147-Y176 HydrophobicContact CE2-CE2 3.47Å; F147-Y176 VanDerWaalsContact CE2-CE2 3.47Å; F147-Y176 HydrophobicContact CG-CE2 4.31Å; F147-Y176 AromaticContact CZ-CD2 3.79Å; F147-Y176 HydrophobicContact CZ-CD2 3.79Å; F147-Y176 AromaticContact CZ-CE2 3.91Å; F147-Y176 HydrophobicContact CZ-CE2 3.91Å; M168-Y176 HydrophobicContact SD-CD2 4.02Å; Y176-H178 HydrophobicContact CD1-CB 4.4Å; Y176-H178 HydrophobicContact CE1-CB 4.26Å; Y176-H178 AromaticContact CE1-ND1 3.6Å; Y176-H178 PolarHBondContact O-N 3.26Å; Y176-H178 VanDerWaalsContact O-N 3.12Å; Y176-D181 VanDerWaalsContact OH-C 3.3Å
177	D	94.8	Very high	94.7	Very high	59 Å²	59	43.4 Å²	43.4	32%	0.316	25%	0.251	S	S	.	.			trans	-80.2	90.8	178.1	-173.6	-3.1	0	0	0	111	S175 G179 K180 D181 G182	S175-D177 PolarHBondContact O-N 3.39Å; D177-G179 PolarHBondContact O-N 3.17Å; D177-G179 PolarHBondContact OD1-N 3.08Å; D177-G179 VanDerWaalsContact OD1-N 3.1Å; D177-K180 HydrophobicContact CB-CB 4.5Å; D177-K180 CarbonylContact O-C 3.54Å; D177-K180 PolarHBondContact O-N 3.21Å; D177-K180 VanDerWaalsContact O-N 3.08Å; D177-K180 PolarHBondContact OD1-N 3.39Å; D177-K180 WeakPolarHBondContact OD2-CD 2.9Å; D177-K180 WeakPolarHBondContact OD2-CG 3.2Å; D177-D181 PolarHBondContact O-N 3.03Å; D177-D181 VanDerWaalsContact O-N 3.17Å; D177-G182 PolarHBondContact O-N 2.9Å
178	H	91.1	Very high	94.5	Very high	54 Å²	54	44.2 Å²	44.2	25%	0.25	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-59.7	-29.6	177.2	-154.2	72.9	0	0	0	112.5	D118 N153 Y176 K180 D181	D118-H178 IonicContact OD2-CE1 3.57Å; D118-H178 IonicContact OD2-NE2 3.6Å; D118-H178 PolarHBondContact OD2-NE2 3.1Å; N153-H178 WeakPolarHBondContact CB-O 3.21Å; N153-H178 PolarHBondContact ND2-O 3.25Å; Y176-H178 HydrophobicContact CD1-CB 4.4Å; Y176-H178 HydrophobicContact CE1-CB 4.26Å; Y176-H178 AromaticContact CE1-ND1 3.6Å; Y176-H178 PolarHBondContact O-N 3.26Å; Y176-H178 VanDerWaalsContact O-N 3.12Å; H178-K180 PolarHBondContact O-N 3.45Å; H178-D181 PolarHBondContact O-N 2.93Å
179	G	91	Very high	94.4	Very high	46 Å²	46	45.4 Å²	45.4	47%	0.474	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-70.6	-13.9	178.4	0	0	0	0	0	113.7	D177	D177-G179 PolarHBondContact O-N 3.17Å; D177-G179 PolarHBondContact OD1-N 3.08Å; D177-G179 VanDerWaalsContact OD1-N 3.1Å
180	K	92.6	Very high	94.3	Very high	113 Å²	113	45.6 Å²	45.6	49%	0.491	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-127.1	22.6	177	-61.5	-173.3	-174.7	172.8	0	112.7	D177 H178 G182 R183	D177-K180 HydrophobicContact CB-CB 4.5Å; D177-K180 CarbonylContact O-C 3.54Å; D177-K180 PolarHBondContact O-N 3.21Å; D177-K180 VanDerWaalsContact O-N 3.08Å; D177-K180 PolarHBondContact OD1-N 3.39Å; D177-K180 WeakPolarHBondContact OD2-CD 2.9Å; D177-K180 WeakPolarHBondContact OD2-CG 3.2Å; H178-K180 PolarHBondContact O-N 3.45Å; K180-G182 PolarHBondContact O-N 2.86Å; K180-G182 VanDerWaalsContact O-N 3.1Å; K180-R183 HydrophobicContact CB-CB 4.47Å; K180-R183 WeakPolarHBondContact O-CB 3.45Å; K180-R183 PolarHBondContact O-N 3.24Å
181	D	93.3	Very high	94.3	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.027	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	35.6	177.2	-48.1	-51.8	0	0	0	112.5	N153 D154 F162 Y176 D177 H178 R183	N153-D181 WeakPolarHBondContact CB-OD1 3.37Å; N153-D181 PolarHBondContact N-OD1 2.64Å; N153-D181 PolarHBondContact N-OD2 3.43Å; N153-D181 PolarHBondContact ND2-OD1 2.69Å; D154-D181 WeakPolarHBondContact CB-OD2 3.23Å; D154-D181 PolarHBondContact N-OD2 3.34Å; F162-D181 HydrophobicContact CE1-CB 4.26Å; F162-D181 HydrophobicContact CZ-CB 3.87Å; F162-D181 WeakPolarHBondContact CZ-OD2 3.48Å; Y176-D181 VanDerWaalsContact OH-C 3.3Å; D177-D181 PolarHBondContact O-N 3.03Å; D177-D181 VanDerWaalsContact O-N 3.17Å; H178-D181 PolarHBondContact O-N 2.93Å; D181-R183 PolarHBondContact O-N 2.87Å
182	G	93.4	Very high	94.2	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.021	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	11.6	179	0	0	0	0	0	116	D177 K180 S184 S185 E186	D177-G182 PolarHBondContact O-N 2.9Å; K180-G182 PolarHBondContact O-N 2.86Å; K180-G182 VanDerWaalsContact O-N 3.1Å; G182-S184 VanDerWaalsContact C-N 3.27Å; G182-S184 PolarHBondContact O-N 2.83Å; G182-S184 VanDerWaalsContact O-N 3.12Å; G182-S185 PolarHBondContact O-N 2.95Å; G182-S185 PolarHBondContact O-OG 2.93Å; G182-E186 PolarHBondContact O-N 2.99Å
183	R	91.1	Very high	94.1	Very high	92 Å²	92	48.5 Å²	48.5	35%	0.347	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-54	-35.2	-170.4	178.4	166.7	-168.4	140.3	9.3	115.4	D159 K180 D181 S185	D159-R183 IonicContact OD1-CZ 2.63Å; D159-R183 IonicContact OD1-NH1 2.98Å; D159-R183 PolarHBondContact OD1-NH1 3.42Å; D159-R183 IonicContact OD1-NH2 2.73Å; D159-R183 PolarHBondContact OD1-NH2 3.29Å; D159-R183 IonicContact OD2-CZ 3.69Å; D159-R183 IonicContact OD2-NH1 2.64Å; D159-R183 PolarHBondContact OD2-NH1 2.88Å; D159-R183 IonicContact OD2-NH2 3.96Å; D159-R183 PolarHBondContact OD2-NH2 3.34Å; K180-R183 HydrophobicContact CB-CB 4.47Å; K180-R183 WeakPolarHBondContact O-CB 3.45Å; K180-R183 PolarHBondContact O-N 3.24Å; D181-R183 PolarHBondContact O-N 2.87Å; R183-S185 VanDerWaalsContact C-N 3.28Å; R183-S185 PolarHBondContact O-N 2.84Å
184	S	91.3	Very high	94.1	Very high	94 Å²	94	44.1 Å²	44.1	66%	0.657	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-72.2	-21.1	-177.6	52	0	0	0	0	113.7	G182	G182-S184 VanDerWaalsContact C-N 3.27Å; G182-S184 PolarHBondContact O-N 2.83Å; G182-S184 VanDerWaalsContact O-N 3.12Å
185	S	92.8	Very high	94.2	Very high	20 Å²	20	43 Å²	43	14%	0.14	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-116.9	9	-176.3	56	0	0	0	0	113.6	M168 G182 R183	M168-S185 PolarHBondContact SD-OG 3.08Å; G182-S185 PolarHBondContact O-N 2.95Å; G182-S185 PolarHBondContact O-OG 2.93Å; R183-S185 VanDerWaalsContact C-N 3.28Å; R183-S185 PolarHBondContact O-N 2.84Å
186	E	93.8	Very high	94.2	Very high	45 Å²	45	43.5 Å²	43.5	21%	0.21	25%	0.25	C	C	.	.			trans	-72.9	133.6	179.2	176	177.6	146.2	0	0	111.5	R160 G182	R160-E186 IonicContact CZ-OE2 2.7Å; R160-E186 IonicContact NH1-OE2 2.81Å; R160-E186 PolarHBondContact NH1-OE2 3.47Å; R160-E186 VanDerWaalsContact NH2-CD 3.28Å; R160-E186 IonicContact NH2-OE1 3.48Å; R160-E186 PolarHBondContact NH2-OE1 3.34Å; R160-E186 IonicContact NH2-OE2 3.48Å; R160-E186 PolarHBondContact NH2-OE2 3.05Å; G182-E186 PolarHBondContact O-N 2.99Å
187	L	93.3	Very high	94.1	Very high	48 Å²	48	45.9 Å²	45.9	25%	0.251	26%	0.259	S	S	.	.			trans	-83.4	-36.8	171	-61.2	179.9	0	0	0	111.9	A167 V169 I230 V284	A167-L187 PolarHBondContact O-N 2.82Å; V169-L187 HydrophobicContact CB-CD1 3.91Å; V169-L187 HydrophobicContact CG2-CD1 3.52Å; L187-I230 VanDerWaalsContact C-CD1 3.46Å; L187-I230 HydrophobicContact CB-CD1 3.84Å; L187-I230 WeakPolarHBondContact O-CD1 3.23Å; L187-V284 HydrophobicContact CD1-CG2 3.73Å; L187-V284 HydrophobicContact CD2-CB 4.24Å; L187-V284 HydrophobicContact CD2-CG1 4.47Å; L187-V284 HydrophobicContact CD2-CG2 3.65Å; L187-V284 HydrophobicContact CG-CG2 4.36Å
188	G	93.7	Very high	94	Very high	17 Å²	17	51 Å²	51	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.1	173.1	176.7	0	0	0	0	0	110	S166 A167 I228	S166-G188 WeakPolarHBondContact CA-O 3.26Å; A167-G188 PolarHBondContact N-O 2.96Å; A167-G188 VanDerWaalsContact N-O 3.08Å; G188-I228 WeakPolarHBondContact O-CD1 3.34Å
189	G	95.9	Very high	94.1	Very high	27 Å²	27	50.6 Å²	50.6	28%	0.278	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	174.4	-177.6	0	0	0	0	0	113.6	I165	I165-G189 CarbonylContact O-C 3.25Å; I165-G189 WeakPolarHBondContact O-CA 3.45Å
190	C	97	Very high	94.2	Very high	24 Å²	24	52.4 Å²	52.4	16%	0.162	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.4	177.4	76.4	0	0	0	0	111.1	I165 C227	I165-C190 PolarHBondContact N-O 2.83Å; I165-C190 PolarHBondContact O-N 2.85Å; C190-C227 HydrophobicContact CB-CB 3.99Å; C190-C227 WeakPolarHBondContact CB-SG 3.43Å; C190-C227 PolarHBondContact N-SG 2.79Å; C190-C227 VanDerWaalsContact SG-CA 3.52Å; C190-C227 WeakPolarHBondContact SG-CB 3.3Å; C190-C227 CovalentContact SG-SG 2.03Å; C190-C227 PolarHBondContact SG-SG 2.86Å
191	S	97	Very high	94.4	Very high	42 Å²	42	47 Å²	47	29%	0.294	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	135.6	168.2	-174.1	0	0	0	0	110.4	S161 P163	S161-S191 WeakPolarHBondContact CB-OG 3.42Å; S161-S191 VanDerWaalsContact O-CB 3.28Å; S161-S191 WeakPolarHBondContact O-CB 3.15Å; S161-S191 PolarHBondContact O-OG 3.01Å; P163-S191 WeakPolarHBondContact O-CA 3.21Å; P163-S191 PolarHBondContact O-OG 3.28Å
192	A	95.8	Very high	94.6	Very high	8 Å²	8	50.1 Å²	50.1	7%	0.066	27%	0.271	C	S	.	.			trans	-144.9	130.5	178.8	0	0	0	0	0	111	P163 I165 I194 V216	P163-A192 WeakPolarHBondContact CB-O 3.37Å; P163-A192 PolarHBondContact O-N 3.49Å; P163-A192 VanDerWaalsContact O-N 3.12Å; I165-A192 HydrophobicContact CD1-CB 3.79Å; I165-A192 HydrophobicContact CG1-CB 4.29Å; A192-I194 VanDerWaalsContact C-N 3.31Å; A192-I194 HydrophobicContact CB-CG2 3.89Å; A192-I194 PolarHBondContact O-N 2.99Å; A192-V216 HydrophobicContact CB-CG2 4.33Å
193	D	94.7	Very high	94.8	Very high	95 Å²	95	50 Å²	50	51%	0.508	27%	0.27	S	S	.	.			trans	-77.1	81.1	177.6	-71.9	-21.8	0	0	0	110.3	R197	D193-R197 WeakPolarHBondContact O-CD 3.49Å; D193-R197 WeakPolarHBondContact O-CG 3.38Å; D193-R197 PolarHBondContact O-NE 3.29Å
194	I	95.9	Very high	95.2	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.254	C	S	.	.			trans	-94.5	-15.7	-174.3	63.1	175.4	0	0	0	114.5	F105 L148 T150 P163 I165 A192 V218	F105-I194 HydrophobicContact CE2-CB 3.98Å; F105-I194 HydrophobicContact CE2-CD1 4.36Å; F105-I194 HydrophobicContact CE2-CG2 4.3Å; F105-I194 HydrophobicContact CZ-CB 4.18Å; F105-I194 HydrophobicContact CZ-CG2 4Å; L148-I194 HydrophobicContact CB-CD1 3.81Å; L148-I194 HydrophobicContact CD2-CD1 4.09Å; L148-I194 HydrophobicContact CG-CD1 4.3Å; T150-I194 HydrophobicContact CG2-CD1 4.16Å; P163-I194 HydrophobicContact CB-CD1 3.92Å; P163-I194 HydrophobicContact CB-CG1 3.66Å; P163-I194 HydrophobicContact CG-CG1 3.87Å; I165-I194 HydrophobicContact CD1-CG2 4.33Å; A192-I194 VanDerWaalsContact C-N 3.31Å; A192-I194 HydrophobicContact CB-CG2 3.89Å; A192-I194 PolarHBondContact O-N 2.99Å; I194-V218 HydrophobicContact CG2-CG1 3.91Å
195	R	96.6	Very high	95.5	Very high	36 Å²	36	41.6 Å²	41.6	14%	0.136	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-93.8	138.4	-170.9	-174.3	178.7	-179.8	-92.7	-5.4	111.8	V107 G109 G111 H116 P163 R197 D252	V107-R195 HydrophobicContact CG1-CG 4.35Å; V107-R195 WeakPolarHBondContact O-CA 3.36Å; G109-R195 PolarHBondContact O-NH2 3.2Å; G111-R195 PolarHBondContact O-NH1 2.73Å; G111-R195 PolarHBondContact O-NH2 3.08Å; H116-R195 VanDerWaalsContact CB-CZ 3.49Å; H116-R195 WeakPolarHBondContact CD2-CD 3.46Å; H116-R195 PolarHBondContact CD2-NE 2.67Å; H116-R195 VanDerWaalsContact CG-CZ 3.44Å; H116-R195 VanDerWaalsContact CG-NE 3.25Å; H116-R195 PolarHBondContact ND1-NH1 3.11Å; H116-R195 WeakPolarHBondContact NE2-CD 3.44Å; P163-R195 HydrophobicContact CG-CB 4.46Å; R195-R197 VanDerWaalsContact C-N 3.26Å; R195-R197 PolarHBondContact O-N 3.37Å; R195-D252 WeakPolarHBondContact CD-OD2 3.34Å; R195-D252 IonicContact CZ-OD1 3.29Å; R195-D252 VanDerWaalsContact CZ-OD1 3.29Å; R195-D252 IonicContact CZ-OD2 3.64Å; R195-D252 VanDerWaalsContact NE-CG 3.27Å; R195-D252 IonicContact NE-OD1 3.05Å; R195-D252 PolarHBondContact NE-OD1 2.89Å; R195-D252 IonicContact NE-OD2 2.7Å; R195-D252 PolarHBondContact NE-OD2 2.7Å; R195-D252 IonicContact NH2-OD1 2.71Å; R195-D252 PolarHBondContact NH2-OD1 3.05Å; R195-D252 IonicContact NH2-OD2 3.76Å
196	N	96.2	Very high	95.8	Very high	73 Å²	73	43.1 Å²	43.1	39%	0.39	23%	0.227	S	C	.	.	S	Bend	trans	53.5	39.6	175.9	-74.8	-24	0	0	0	113.3	V107 H108 G109	V107-N196 PolarHBondContact O-N 2.87Å; H108-N196 WeakPolarHBondContact CA-OD1 3.34Å; H108-N196 WeakPolarHBondContact CB-OD1 3.41Å; G109-N196 PolarHBondContact N-OD1 2.91Å; G109-N196 PolarHBondContact O-ND2 2.94Å
197	R	95.3	Very high	96	Very high	63 Å²	63	41.5 Å²	41.5	24%	0.238	22%	0.219	C	C	.	.			trans	-77.6	138.9	172.2	-54.9	-60	-81.5	-179.9	-15.1	110.5	K106 D193 R195 F199 T201 V218 D219	K106-R197 PolarHBondContact NZ-O 3.12Å; D193-R197 WeakPolarHBondContact O-CD 3.49Å; D193-R197 WeakPolarHBondContact O-CG 3.38Å; D193-R197 PolarHBondContact O-NE 3.29Å; R195-R197 VanDerWaalsContact C-N 3.26Å; R195-R197 PolarHBondContact O-N 3.37Å; R197-F199 HydrophobicContact CB-CD2 4.28Å; R197-F199 HydrophobicContact CB-CE2 4.07Å; R197-F199 HydrophobicContact CB-CZ 4.46Å; R197-F199 HydrophobicContact CG-CE2 4.44Å; R197-F199 VanDerWaalsContact NE-CZ 3.33Å; R197-F199 PolarHBondContact O-N 3.14Å; R197-T201 HydrophobicContact CB-CG2 3.86Å; R197-T201 HydrophobicContact CG-CG2 3.72Å; R197-V218 PolarHBondContact NE-O 3.12Å; R197-V218 PolarHBondContact NH2-O 2.87Å; R197-D219 IonicContact NH2-OD1 3.1Å; R197-D219 PolarHBondContact NH2-OD1 2.94Å; R197-D219 VanDerWaalsContact NH2-OD1 3.1Å
198	D	93.1	Very high	96.2	Very high	165 Å²	165	39.6 Å²	39.6	88%	0.882	21%	0.21	S	C	*	.	S	Bend	trans	-74.6	-15.7	179.7	-69.4	-39.6	0	0	0	112.8
199	F	92.6	Very high	96.3	Very high	47 Å²	47	46.5 Å²	46.5	21%	0.206	23%	0.23	C	C	.	.	S	Bend	trans	-118.9	-179.3	-179.5	46.6	-103.7	0	0	0	110.8	R197 V218 D220	R197-F199 HydrophobicContact CB-CD2 4.28Å; R197-F199 HydrophobicContact CB-CE2 4.07Å; R197-F199 HydrophobicContact CB-CZ 4.46Å; R197-F199 HydrophobicContact CG-CE2 4.44Å; R197-F199 VanDerWaalsContact NE-CZ 3.33Å; R197-F199 PolarHBondContact O-N 3.14Å; F199-V218 WeakPolarHBondContact CE2-O 3.24Å; F199-V218 VanDerWaalsContact CZ-O 3.24Å; F199-V218 WeakPolarHBondContact CZ-O 3.4Å; F199-D220 HydrophobicContact CB-CB 4.2Å; F199-D220 HydrophobicContact CD1-CB 3.61Å; F199-D220 HydrophobicContact CD2-CB 3.87Å; F199-D220 HydrophobicContact CE1-CB 3.8Å; F199-D220 HydrophobicContact CE2-CB 4.07Å; F199-D220 HydrophobicContact CG-CB 3.61Å; F199-D220 HydrophobicContact CZ-CB 3.99Å
200	D	93.1	Very high	96.3	Very high	83 Å²	83	45.9 Å²	45.9	44%	0.444	23%	0.225	S	C	.	.			trans	-73.7	139.8	-176.9	-71.6	-29.4	0	0	0	111.6	Q104 Y202	Q104-D200 PolarHBondContact NE2-OD1 2.87Å; Q104-D200 PolarHBondContact NE2-OD2 2.88Å; D200-Y202 HydrophobicContact CB-CD2 4.26Å; D200-Y202 HydrophobicContact CB-CE2 3.33Å; D200-Y202 WeakPolarHBondContact CB-OH 3.41Å; D200-Y202 PolarHBondContact OD2-OH 3.32Å; D200-Y202 VanDerWaalsContact OD2-OH 3.09Å
201	T	97.1	Very high	96.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.2	177	47.6	0	0	0	0	110.7	F105 R197 V218	F105-T201 PolarHBondContact N-O 3.34Å; F105-T201 PolarHBondContact O-OG1 3.34Å; R197-T201 HydrophobicContact CB-CG2 3.86Å; R197-T201 HydrophobicContact CG-CG2 3.72Å; T201-V218 HydrophobicContact CG2-CB 4.16Å; T201-V218 HydrophobicContact CG2-CG1 3.79Å
202	Y	97.4	Very high	96.4	Very high	70 Å²	70	47.4 Å²	47.4	28%	0.275	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.8	-174.9	-58.8	-89.9	0	0	0	112.2	V103 Q104 D200 V216 D217	V103-Y202 CarbonylContact O-C 3.45Å; V103-Y202 WeakPolarHBondContact O-CA 3.48Å; Q104-Y202 HydrophobicContact CB-CD1 3.75Å; Q104-Y202 HydrophobicContact CB-CE1 3.64Å; Q104-Y202 HydrophobicContact CG-CD1 3.88Å; Q104-Y202 HydrophobicContact CG-CE1 3.45Å; Q104-Y202 VanDerWaalsContact CG-CE1 3.45Å; Q104-Y202 PolarHBondContact NE2-OH 2.86Å; D200-Y202 HydrophobicContact CB-CD2 4.26Å; D200-Y202 HydrophobicContact CB-CE2 3.33Å; D200-Y202 WeakPolarHBondContact CB-OH 3.41Å; D200-Y202 PolarHBondContact OD2-OH 3.32Å; D200-Y202 VanDerWaalsContact OD2-OH 3.09Å; Y202-V216 WeakPolarHBondContact O-CA 3.47Å; Y202-D217 PolarHBondContact N-O 3.01Å; Y202-D217 PolarHBondContact O-N 3.39Å
203	L	98.1	Very high	96.5	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.4	171	-163.7	80.5	0	0	0	109	H102 V103 F105 L122 I146 L148 I165 I205 V214 M215 V216	H102-L203 CarbonylContact C-O 3.53Å; H102-L203 WeakPolarHBondContact CA-O 3.35Å; V103-L203 HydrophobicContact CB-CB 4.45Å; V103-L203 PolarHBondContact N-O 3.5Å; V103-L203 PolarHBondContact O-N 3.05Å; F105-L203 HydrophobicContact CD1-CB 4.42Å; F105-L203 HydrophobicContact CE1-CB 3.98Å; L122-L203 HydrophobicContact CD1-CD2 3.42Å; L122-L203 VanDerWaalsContact CD1-CD2 3.42Å; I146-L203 HydrophobicContact CG2-CD2 4.11Å; L148-L203 HydrophobicContact CD1-CD2 4.16Å; I165-L203 HydrophobicContact CD1-CD1 3.96Å; L203-I205 HydrophobicContact CD2-CD1 3.93Å; L203-I205 HydrophobicContact CD2-CG1 3.86Å; L203-I205 HydrophobicContact CG-CG1 4.33Å; L203-V214 HydrophobicContact CD1-CG1 3.76Å; L203-V214 HydrophobicContact CD2-CG1 4.33Å; L203-V214 HydrophobicContact CG-CG1 4.07Å; L203-M215 CarbonylContact C-O 3.58Å; L203-M215 WeakPolarHBondContact CA-O 3.33Å; L203-M215 WeakPolarHBondContact CD1-O 3.44Å; L203-V216 HydrophobicContact CD1-CB 4.26Å
204	A	98.2	Very high	96.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.4	169.7	0	0	0	0	0	109	M101 V214 M215 W224	M101-A204 CarbonylContact O-C 3Å; M101-A204 WeakPolarHBondContact O-CA 3.42Å; A204-V214 CarbonylContact O-C 3.58Å; A204-V214 WeakPolarHBondContact O-CA 3.09Å; A204-M215 HydrophobicContact CB-CB 4.4Å; A204-M215 HydrophobicContact CB-CE 4Å; A204-M215 PolarHBondContact N-O 3.47Å; A204-M215 PolarHBondContact O-N 2.98Å; A204-W224 HydrophobicContact CB-CD2 4.47Å; A204-W224 HydrophobicContact CB-CE3 4.06Å; A204-W224 HydrophobicContact CB-CH2 3.72Å; A204-W224 HydrophobicContact CB-CZ2 4.17Å; A204-W224 HydrophobicContact CB-CZ3 3.68Å
205	I	98.7	Very high	96.8	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.046	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	111.5	175.7	-54.7	163.3	0	0	0	107.4	W99 E100 M101 L122 I146 L203 L212 V214	W99-I205 HydrophobicContact CH2-CG2 4.07Å; W99-I205 HydrophobicContact CZ3-CB 4.34Å; W99-I205 HydrophobicContact CZ3-CG2 3.87Å; W99-I205 WeakPolarHBondContact CZ3-O 3.31Å; E100-I205 CarbonylContact C-O 3.5Å; E100-I205 WeakPolarHBondContact CA-O 3.31Å; M101-I205 HydrophobicContact CB-CB 4.47Å; M101-I205 PolarHBondContact N-O 3.48Å; M101-I205 PolarHBondContact O-N 2.83Å; L122-I205 HydrophobicContact CB-CD1 4.18Å; L122-I205 HydrophobicContact CD1-CD1 3.68Å; I146-I205 HydrophobicContact CB-CD1 4.25Å; I146-I205 HydrophobicContact CG1-CD1 3.71Å; I146-I205 HydrophobicContact CG1-CG1 4.15Å; I146-I205 HydrophobicContact CG1-CG2 4.35Å; L203-I205 HydrophobicContact CD2-CD1 3.93Å; L203-I205 HydrophobicContact CD2-CG1 3.86Å; L203-I205 HydrophobicContact CG-CG1 4.33Å; I205-L212 HydrophobicContact CG2-CD1 3.94Å; I205-V214 HydrophobicContact CG2-CG2 4.47Å
206	R	98.5	Very high	96.8	Very high	51 Å²	51	41.2 Å²	41.2	19%	0.192	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.9	-179.3	-173.5	-179.3	178.8	-85.5	-4.7	109.4	E100 L212 T213 L264	E100-R206 HydrophobicContact CB-CG 4.44Å; E100-R206 HydrophobicContact CG-CB 4.18Å; E100-R206 HydrophobicContact CG-CG 4.43Å; E100-R206 WeakPolarHBondContact OE2-CD 3.47Å; E100-R206 IonicContact OE2-NE 3Å; R206-L212 WeakPolarHBondContact O-CA 3.19Å; R206-T213 PolarHBondContact N-O 2.78Å; R206-T213 PolarHBondContact O-N 2.93Å; R206-L264 HydrophobicContact CG-CD1 3.91Å
207	Y	98.5	Very high	96.8	Very high	11 Å²	11	38.3 Å²	38.3	4%	0.043	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.2	170.1	176.6	-103.9	0	0	0	108.8	D98 W99 R211 V233 L235	D98-Y207 WeakPolarHBondContact CA-O 3.15Å; W99-Y207 HydrophobicContact CZ2-CD1 4.33Å; W99-Y207 HydrophobicContact CZ2-CG 4.2Å; W99-Y207 PolarHBondContact N-O 2.88Å; W99-Y207 AromaticContact NE1-CD1 3.74Å; W99-Y207 PolarHBondContact O-N 3.42Å; Y207-R211 WeakPolarHBondContact CA-O 3.47Å; Y207-V233 HydrophobicContact CD2-CG1 4.4Å; Y207-V233 HydrophobicContact CE2-CB 4.19Å; Y207-V233 HydrophobicContact CE2-CG1 3.92Å; Y207-V233 PolarHBondContact OH-O 3.35Å; Y207-L235 HydrophobicContact CD2-CD1 3.94Å; Y207-L235 HydrophobicContact CE1-CB 4.16Å; Y207-L235 HydrophobicContact CE2-CB 4.32Å; Y207-L235 HydrophobicContact CE2-CD1 3.95Å; Y207-L235 HydrophobicContact CE2-CG 4.19Å; Y207-L235 HydrophobicContact CG-CD1 4.24Å; Y207-L235 PolarHBondContact OH-N 3.07Å
208	S	97.9	Very high	96.7	Very high	8 Å²	8	35.8 Å²	35.8	6%	0.056	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	133.9	178.9	175.6	0	0	0	0	110.8	D98 G210 R211	D98-S208 WeakPolarHBondContact OD1-CA 3.39Å; D98-S208 VanDerWaalsContact OD1-CB 3.22Å; D98-S208 WeakPolarHBondContact OD1-CB 3.19Å; D98-S208 PolarHBondContact OD1-OG 3.23Å; S208-G210 PolarHBondContact O-N 3.02Å; S208-G210 VanDerWaalsContact O-N 3.08Å; S208-R211 PolarHBondContact N-O 3.09Å; S208-R211 WeakPolarHBondContact O-CB 3.49Å; S208-R211 PolarHBondContact O-N 3.37Å
209	R	95.4	Very high	96.6	Very high	162 Å²	162	31.3 Å²	31.3	61%	0.611	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.1	40.7	179.7	-55	-170.6	70.4	179	4	114.1	D98 R211 V266	D98-R209 PolarHBondContact OD1-N 2.81Å; R209-R211 VanDerWaalsContact C-N 3.27Å; R209-R211 PolarHBondContact O-N 2.58Å; R209-V266 HydrophobicContact CG-CG1 3.84Å
210	G	95.6	Very high	96.5	Very high	15 Å²	15	34.7 Å²	34.7	16%	0.155	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	15.5	-179.7	0	0	0	0	0	115.6	S208 G231 G232 V233	S208-G210 PolarHBondContact O-N 3.02Å; S208-G210 VanDerWaalsContact O-N 3.08Å; G210-G231 CarbonylContact O-C 3.57Å; G210-G232 PolarHBondContact O-N 3.45Å; G210-V233 CarbonylContact C-O 3.54Å; G210-V233 WeakPolarHBondContact CA-O 3.4Å; G210-V233 PolarHBondContact O-N 3Å
211	R	97.1	Very high	96.2	Very high	98 Å²	98	37.1 Å²	37.1	37%	0.37	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127	168.9	-169.5	174.5	-175.1	176.4	-2.7	109.3	Y207 S208 R209 D229 I230	Y207-R211 WeakPolarHBondContact CA-O 3.47Å; S208-R211 PolarHBondContact N-O 3.09Å; S208-R211 WeakPolarHBondContact O-CB 3.49Å; S208-R211 PolarHBondContact O-N 3.37Å; R209-R211 VanDerWaalsContact C-N 3.27Å; R209-R211 PolarHBondContact O-N 2.58Å; R211-D229 IonicContact CZ-OD1 3.37Å; R211-D229 IonicContact CZ-OD2 3.46Å; R211-D229 IonicContact NE-OD1 3.48Å; R211-D229 PolarHBondContact NE-OD1 3.41Å; R211-D229 IonicContact NE-OD2 2.73Å; R211-D229 PolarHBondContact NE-OD2 2.9Å; R211-D229 IonicContact NH2-OD1 2.67Å; R211-D229 PolarHBondContact NH2-OD1 3.14Å; R211-D229 IonicContact NH2-OD2 3.41Å; R211-D229 PolarHBondContact NH2-OD2 3.09Å; R211-I230 CarbonylContact C-O 3.46Å; R211-I230 WeakPolarHBondContact CA-O 3.35Å
212	L	98.2	Very high	95.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.1	172.9	175.7	65.7	0	0	0	108.5	L144 I146 A167 I205 R206 V214 D229 I230 V233	L144-L212 HydrophobicContact CD1-CD2 3.72Å; L144-L212 HydrophobicContact CD2-CD1 3.83Å; L144-L212 HydrophobicContact CD2-CD2 4.32Å; I146-L212 HydrophobicContact CD1-CD2 4.43Å; A167-L212 HydrophobicContact CB-CD2 4.06Å; I205-L212 HydrophobicContact CG2-CD1 3.94Å; R206-L212 WeakPolarHBondContact O-CA 3.19Å; L212-V214 HydrophobicContact CD1-CG2 4.43Å; L212-V214 HydrophobicContact CG-CG2 4.45Å; L212-D229 WeakPolarHBondContact O-CA 3.19Å; L212-I230 PolarHBondContact N-O 2.87Å; L212-I230 PolarHBondContact O-N 2.84Å; L212-V233 HydrophobicContact CB-CB 4.38Å; L212-V233 HydrophobicContact CB-CG2 3.89Å
213	T	98.4	Very high	95.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.9	175.2	-48.9	0	0	0	0	108.9	R206 M215 I228 D229	R206-T213 PolarHBondContact N-O 2.78Å; R206-T213 PolarHBondContact O-N 2.93Å; T213-M215 HydrophobicContact CG2-CE 3.98Å; T213-M215 HydrophobicContact CG2-CG 4.11Å; T213-M215 HydrophobicContact CG2-SD 3.77Å; T213-I228 CarbonylContact C-O 3.58Å; T213-I228 VanDerWaalsContact CA-O 3.24Å; T213-I228 WeakPolarHBondContact CA-O 3.46Å; T213-D229 HydrophobicContact CG2-CB 4.46Å; T213-D229 PolarHBondContact OG1-OD1 2.78Å
214	V	98.6	Very high	95	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.9	174.7	-176.3	0	0	0	0	108.4	I146 I165 L203 A204 I205 L212 C227 I228	I146-V214 HydrophobicContact CD1-CG2 3.91Å; I146-V214 HydrophobicContact CG2-CG1 4.45Å; I165-V214 HydrophobicContact CG2-CG1 4.46Å; L203-V214 HydrophobicContact CD1-CG1 3.76Å; L203-V214 HydrophobicContact CD2-CG1 4.33Å; L203-V214 HydrophobicContact CG-CG1 4.07Å; A204-V214 CarbonylContact O-C 3.58Å; A204-V214 WeakPolarHBondContact O-CA 3.09Å; I205-V214 HydrophobicContact CG2-CG2 4.47Å; L212-V214 HydrophobicContact CD1-CG2 4.43Å; L212-V214 HydrophobicContact CG-CG2 4.45Å; V214-C227 HydrophobicContact CG1-CB 4.49Å; V214-C227 WeakPolarHBondContact O-CA 3.49Å; V214-C227 VanDerWaalsContact O-CB 3.3Å; V214-C227 WeakPolarHBondContact O-CB 3.46Å; V214-C227 PolarHBondContact O-N 3.08Å; V214-I228 HydrophobicContact CB-CB 3.9Å; V214-I228 HydrophobicContact CB-CD1 4.22Å; V214-I228 HydrophobicContact CB-CG1 4.16Å; V214-I228 HydrophobicContact CG2-CB 4.07Å; V214-I228 HydrophobicContact CG2-CD1 4.07Å; V214-I228 HydrophobicContact CG2-CG1 4.42Å; V214-I228 PolarHBondContact N-O 3.1Å; V214-I228 PolarHBondContact O-N 3.45Å; V214-I228 VanDerWaalsContact O-N 3.08Å
215	M	97.9	Very high	94.9	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.025	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151	-179.5	-65.8	150.2	-54.7	0	0	110	C35 I37 L203 A204 T213 W224 K225	C35-M215 HydrophobicContact CB-SD 4.23Å; I37-M215 HydrophobicContact CD1-CB 4.28Å; I37-M215 HydrophobicContact CD1-CE 3.49Å; I37-M215 VanDerWaalsContact CD1-CE 3.49Å; I37-M215 HydrophobicContact CD1-CG 4.31Å; I37-M215 HydrophobicContact CD1-SD 3.26Å; I37-M215 WeakPolarHBondContact CD1-SD 3.17Å; I37-M215 HydrophobicContact CG1-CE 3.43Å; I37-M215 VanDerWaalsContact CG1-CE 3.43Å; I37-M215 HydrophobicContact CG1-SD 3.54Å; I37-M215 VanDerWaalsContact CG1-SD 3.54Å; L203-M215 CarbonylContact C-O 3.58Å; L203-M215 WeakPolarHBondContact CA-O 3.33Å; L203-M215 WeakPolarHBondContact CD1-O 3.44Å; A204-M215 HydrophobicContact CB-CB 4.4Å; A204-M215 HydrophobicContact CB-CE 4Å; A204-M215 PolarHBondContact N-O 3.47Å; A204-M215 PolarHBondContact O-N 2.98Å; T213-M215 HydrophobicContact CG2-CE 3.98Å; T213-M215 HydrophobicContact CG2-CG 4.11Å; T213-M215 HydrophobicContact CG2-SD 3.77Å; M215-W224 HydrophobicContact CB-CB 4.21Å; M215-W224 HydrophobicContact CB-CE3 4.05Å; M215-K225 CarbonylContact C-O 3.57Å; M215-K225 VanDerWaalsContact CA-O 3.23Å; M215-K225 WeakPolarHBondContact CA-O 3.33Å
216	V	97.4	Very high	94.8	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.024	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.5	-173.4	56.2	0	0	0	0	110.2	I165 A192 Y202 L203 V218 K225 C227	I165-V216 HydrophobicContact CD1-CB 4.41Å; I165-V216 HydrophobicContact CD1-CG2 4.26Å; A192-V216 HydrophobicContact CB-CG2 4.33Å; Y202-V216 WeakPolarHBondContact O-CA 3.47Å; L203-V216 HydrophobicContact CD1-CB 4.26Å; V216-V218 HydrophobicContact CG2-CB 4.13Å; V216-V218 HydrophobicContact CG2-CG1 3.25Å; V216-V218 HydrophobicContact CG2-CG2 3.88Å; V216-K225 HydrophobicContact CG1-CB 4.29Å; V216-K225 PolarHBondContact N-O 2.77Å; V216-K225 PolarHBondContact O-N 2.86Å; V216-C227 HydrophobicContact CG1-CB 4.4Å
217	D	95.5	Very high	94.7	Very high	12 Å²	12	60 Å²	60	6%	0.064	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	104.7	168.6	-178.8	9.6	0	0	0	108.8	Y202 N222 W224	Y202-D217 PolarHBondContact N-O 3.01Å; Y202-D217 PolarHBondContact O-N 3.39Å; D217-N222 VanDerWaalsContact OD2-CA 3.3Å; D217-N222 WeakPolarHBondContact OD2-CA 3.31Å; D217-W224 HydrophobicContact CB-CD2 4.37Å; D217-W224 HydrophobicContact CB-CE3 3.97Å; D217-W224 HydrophobicContact CB-CZ3 4.17Å
218	V	94	Very high	94.7	Very high	10 Å²	10	59.7 Å²	59.7	6%	0.061	28%	0.279	C	S	.	.			trans	-138.9	17	-173.1	-63.4	0	0	0	0	111.9	I194 R197 F199 T201 V216	I194-V218 HydrophobicContact CG2-CG1 3.91Å; R197-V218 PolarHBondContact NE-O 3.12Å; R197-V218 PolarHBondContact NH2-O 2.87Å; F199-V218 WeakPolarHBondContact CE2-O 3.24Å; F199-V218 VanDerWaalsContact CZ-O 3.24Å; F199-V218 WeakPolarHBondContact CZ-O 3.4Å; T201-V218 HydrophobicContact CG2-CB 4.16Å; T201-V218 HydrophobicContact CG2-CG1 3.79Å; V216-V218 HydrophobicContact CG2-CB 4.13Å; V216-V218 HydrophobicContact CG2-CG1 3.25Å; V216-V218 HydrophobicContact CG2-CG2 3.88Å
219	D	91.2	Very high	94.6	Very high	71 Å²	71	61.7 Å²	61.7	38%	0.38	29%	0.289	S	S	.	.	S	Bend	trans	-121.8	7.9	-176	-75.8	-26.7	0	0	0	113.6	R197 K221	R197-D219 IonicContact NH2-OD1 3.1Å; R197-D219 PolarHBondContact NH2-OD1 2.94Å; R197-D219 VanDerWaalsContact NH2-OD1 3.1Å; D219-K221 HydrophobicContact CB-CD 4.16Å; D219-K221 HydrophobicContact CB-CG 4.28Å; D219-K221 PolarHBondContact O-N 2.86Å
220	D	88.8	Confident	94.6	Very high	119 Å²	119	55.9 Å²	55.9	64%	0.636	27%	0.27	S	S	*	.	S	Bend	trans	56.6	33.3	-178.1	-160	35.2	0	0	0	113.3	F199	F199-D220 HydrophobicContact CB-CB 4.2Å; F199-D220 HydrophobicContact CD1-CB 3.61Å; F199-D220 HydrophobicContact CD2-CB 3.87Å; F199-D220 HydrophobicContact CE1-CB 3.8Å; F199-D220 HydrophobicContact CE2-CB 4.07Å; F199-D220 HydrophobicContact CG-CB 3.61Å; F199-D220 HydrophobicContact CZ-CB 3.99Å
221	K	87	Confident	94.6	Very high	134 Å²	134	57.1 Å²	57.1	58%	0.583	28%	0.283	S	S	*	.	S	Bend	trans	-102.9	-7	179.3	-69.4	176.2	-173	165.6	0	112.8	D219 E223	D219-K221 HydrophobicContact CB-CD 4.16Å; D219-K221 HydrophobicContact CB-CG 4.28Å; D219-K221 PolarHBondContact O-N 2.86Å; K221-E223 HydrophobicContact CB-CB 3.98Å; K221-E223 PolarHBondContact O-N 2.89Å
222	N	85.1	Confident	94.6	Very high	149 Å²	149	53.3 Å²	53.3	80%	0.797	28%	0.275	S	S	*	.	S	Bend	trans	51.8	40.2	-170.3	-166.3	70.6	0	0	0	110.5	D217	D217-N222 VanDerWaalsContact OD2-CA 3.3Å; D217-N222 WeakPolarHBondContact OD2-CA 3.31Å
223	E	89.8	Confident	94.5	Very high	133 Å²	133	53.4 Å²	53.4	62%	0.621	28%	0.275	S	S	*	.			trans	-130.6	121.4	-175.8	-175.3	-176.7	179.1	0	0	108.5	K221 K225	K221-E223 HydrophobicContact CB-CB 3.98Å; K221-E223 PolarHBondContact O-N 2.89Å; E223-K225 PolarHBondContact O-N 3.4Å
224	W	93.7	Very high	94.5	Very high	76 Å²	76	59.1 Å²	59.1	29%	0.288	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-78.5	119.1	177.8	-69	106.8	0	0	0	110.8	I37 A204 M215 D217	I37-W224 HydrophobicContact CD1-CB 3.27Å; I37-W224 HydrophobicContact CD1-CD2 3.82Å; I37-W224 HydrophobicContact CD1-CG 3.17Å; A204-W224 HydrophobicContact CB-CD2 4.47Å; A204-W224 HydrophobicContact CB-CE3 4.06Å; A204-W224 HydrophobicContact CB-CH2 3.72Å; A204-W224 HydrophobicContact CB-CZ2 4.17Å; A204-W224 HydrophobicContact CB-CZ3 3.68Å; M215-W224 HydrophobicContact CB-CB 4.21Å; M215-W224 HydrophobicContact CB-CE3 4.05Å; D217-W224 HydrophobicContact CB-CD2 4.37Å; D217-W224 HydrophobicContact CB-CE3 3.97Å; D217-W224 HydrophobicContact CB-CZ3 4.17Å
225	K	95.8	Very high	94.5	Very high	124 Å²	124	59.2 Å²	59.2	54%	0.539	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.1	173.2	-175.6	-177	174.8	-170.6	0	110.1	M215 V216 E223 C227	M215-K225 CarbonylContact C-O 3.57Å; M215-K225 VanDerWaalsContact CA-O 3.23Å; M215-K225 WeakPolarHBondContact CA-O 3.33Å; V216-K225 HydrophobicContact CG1-CB 4.29Å; V216-K225 PolarHBondContact N-O 2.77Å; V216-K225 PolarHBondContact O-N 2.86Å; E223-K225 PolarHBondContact O-N 3.4Å; K225-C227 PolarHBondContact O-N 3.37Å
226	E	96.6	Very high	94.5	Very high	113 Å²	113	59.1 Å²	59.1	53%	0.528	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	132.7	173.8	-170.6	-178.8	94.2	0	0	111.3	D229	E226-D229 HydrophobicContact CG-CB 4.19Å
227	C	96.8	Very high	94.5	Very high	16 Å²	16	59.5 Å²	59.5	11%	0.108	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-48	177.5	-174	0	0	0	0	111.5	C190 V214 V216 K225	C190-C227 HydrophobicContact CB-CB 3.99Å; C190-C227 WeakPolarHBondContact CB-SG 3.43Å; C190-C227 PolarHBondContact N-SG 2.79Å; C190-C227 VanDerWaalsContact SG-CA 3.52Å; C190-C227 WeakPolarHBondContact SG-CB 3.3Å; C190-C227 CovalentContact SG-SG 2.03Å; C190-C227 PolarHBondContact SG-SG 2.86Å; V214-C227 HydrophobicContact CG1-CB 4.49Å; V214-C227 WeakPolarHBondContact O-CA 3.49Å; V214-C227 VanDerWaalsContact O-CB 3.3Å; V214-C227 WeakPolarHBondContact O-CB 3.46Å; V214-C227 PolarHBondContact O-N 3.08Å; V216-C227 HydrophobicContact CG1-CB 4.4Å; K225-C227 PolarHBondContact O-N 3.37Å
228	I	97.7	Very high	94.6	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	134.4	-179.2	-54.6	175.5	0	0	0	107.3	A167 G188 T213 V214 I230	A167-I228 HydrophobicContact CB-CD1 3.58Å; G188-I228 WeakPolarHBondContact O-CD1 3.34Å; T213-I228 CarbonylContact C-O 3.58Å; T213-I228 VanDerWaalsContact CA-O 3.24Å; T213-I228 WeakPolarHBondContact CA-O 3.46Å; V214-I228 HydrophobicContact CB-CB 3.9Å; V214-I228 HydrophobicContact CB-CD1 4.22Å; V214-I228 HydrophobicContact CB-CG1 4.16Å; V214-I228 HydrophobicContact CG2-CB 4.07Å; V214-I228 HydrophobicContact CG2-CD1 4.07Å; V214-I228 HydrophobicContact CG2-CG1 4.42Å; V214-I228 PolarHBondContact N-O 3.1Å; V214-I228 PolarHBondContact O-N 3.45Å; V214-I228 VanDerWaalsContact O-N 3.08Å; I228-I230 HydrophobicContact CG2-CD1 3.75Å; I228-I230 HydrophobicContact CG2-CG1 3.93Å
229	D	96.8	Very high	94.9	Very high	50 Å²	50	60.4 Å²	60.4	27%	0.267	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	102.8	171	-179.5	35.8	0	0	0	110.1	R211 L212 T213 E226	R211-D229 IonicContact CZ-OD1 3.37Å; R211-D229 IonicContact CZ-OD2 3.46Å; R211-D229 IonicContact NE-OD1 3.48Å; R211-D229 PolarHBondContact NE-OD1 3.41Å; R211-D229 IonicContact NE-OD2 2.73Å; R211-D229 PolarHBondContact NE-OD2 2.9Å; R211-D229 IonicContact NH2-OD1 2.67Å; R211-D229 PolarHBondContact NH2-OD1 3.14Å; R211-D229 IonicContact NH2-OD2 3.41Å; R211-D229 PolarHBondContact NH2-OD2 3.09Å; L212-D229 WeakPolarHBondContact O-CA 3.19Å; T213-D229 HydrophobicContact CG2-CB 4.46Å; T213-D229 PolarHBondContact OG1-OD1 2.78Å; E226-D229 HydrophobicContact CG-CB 4.19Å
230	I	95.1	Very high	95.2	Very high	40 Å²	40	58.3 Å²	58.3	21%	0.205	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.3	-169.8	-61.6	175.8	0	0	0	109.8	L187 R211 L212 I228 V233	L187-I230 VanDerWaalsContact C-CD1 3.46Å; L187-I230 HydrophobicContact CB-CD1 3.84Å; L187-I230 WeakPolarHBondContact O-CD1 3.23Å; R211-I230 CarbonylContact C-O 3.46Å; R211-I230 WeakPolarHBondContact CA-O 3.35Å; L212-I230 PolarHBondContact N-O 2.87Å; L212-I230 PolarHBondContact O-N 2.84Å; I228-I230 HydrophobicContact CG2-CD1 3.75Å; I228-I230 HydrophobicContact CG2-CG1 3.93Å; I230-V233 HydrophobicContact CG2-CG2 4.29Å
231	G	95.9	Very high	95.7	Very high	42 Å²	42	53 Å²	53	43%	0.433	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	166.9	170.7	0	0	0	0	0	113.1	G210 V233	G210-G231 CarbonylContact O-C 3.57Å; G231-V233 VanDerWaalsContact C-N 3.31Å
232	G	95.6	Very high	96.2	Very high	18 Å²	18	46.6 Å²	46.6	19%	0.186	24%	0.237	C	C	.	.			trans	80.8	8.9	176.8	0	0	0	0	0	114.4	G210 V284 S285	G210-G232 PolarHBondContact O-N 3.45Å; G232-V284 CarbonylContact O-C 3.6Å; G232-V284 WeakPolarHBondContact O-CA 3.35Å; G232-S285 WeakPolarHBondContact CA-OG 3.23Å; G232-S285 PolarHBondContact O-N 2.66Å; G232-S285 PolarHBondContact O-OG 2.84Å
233	V	97.3	Very high	96.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	130.3	172.3	179	0	0	0	0	108.8	V169 Y207 G210 L212 I230 G231 L235 V284	V169-V233 HydrophobicContact CG2-CG1 4Å; Y207-V233 HydrophobicContact CD2-CG1 4.4Å; Y207-V233 HydrophobicContact CE2-CB 4.19Å; Y207-V233 HydrophobicContact CE2-CG1 3.92Å; Y207-V233 PolarHBondContact OH-O 3.35Å; G210-V233 CarbonylContact C-O 3.54Å; G210-V233 WeakPolarHBondContact CA-O 3.4Å; G210-V233 PolarHBondContact O-N 3Å; L212-V233 HydrophobicContact CB-CB 4.38Å; L212-V233 HydrophobicContact CB-CG2 3.89Å; I230-V233 HydrophobicContact CG2-CG2 4.29Å; G231-V233 VanDerWaalsContact C-N 3.31Å; V233-L235 HydrophobicContact CG1-CD1 4.13Å; V233-L235 HydrophobicContact CG1-CG 3.96Å; V233-V284 HydrophobicContact CG2-CG1 4.45Å; V233-V284 HydrophobicContact CG2-CG2 4.17Å
234	R	97.6	Very high	97.3	Very high	121 Å²	121	33.1 Å²	33.1	46%	0.457	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.7	175.7	-59.1	-173.5	67.7	112.2	3.6	108.5	I280 P282 S283	R234-I280 HydrophobicContact CB-CG2 3.92Å; R234-P282 VanDerWaalsContact O-CA 3.26Å; R234-P282 WeakPolarHBondContact O-CA 3.4Å; R234-S283 PolarHBondContact N-O 2.93Å; R234-S283 PolarHBondContact O-N 3.12Å
235	L	98.1	Very high	97.6	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	16%	0.156	C	C	.	.			trans	-126.2	139.7	174.8	-64.5	169.6	0	0	0	109.6	Y124 L144 V169 Y207 V233 P282	Y124-L235 HydrophobicContact CD1-CD1 4.24Å; Y124-L235 HydrophobicContact CE1-CB 4.17Å; L144-L235 HydrophobicContact CB-CD1 3.89Å; L144-L235 HydrophobicContact CB-CD2 3.97Å; L144-L235 HydrophobicContact CD2-CD1 3.96Å; L144-L235 HydrophobicContact CG-CD1 4.48Å; V169-L235 HydrophobicContact CG1-CD2 4.31Å; V169-L235 HydrophobicContact CG2-CD2 4.39Å; Y207-L235 HydrophobicContact CD2-CD1 3.94Å; Y207-L235 HydrophobicContact CE1-CB 4.16Å; Y207-L235 HydrophobicContact CE2-CB 4.32Å; Y207-L235 HydrophobicContact CE2-CD1 3.95Å; Y207-L235 HydrophobicContact CE2-CG 4.19Å; Y207-L235 HydrophobicContact CG-CD1 4.24Å; Y207-L235 PolarHBondContact OH-N 3.07Å; V233-L235 HydrophobicContact CG1-CD1 4.13Å; V233-L235 HydrophobicContact CG1-CG 3.96Å; L235-P282 HydrophobicContact CD2-CB 4.4Å
236	P	98.1	Very high	97.7	Very high	2 Å²	2	24 Å²	24	1%	0.013	13%	0.134	C	C	.	.			trans	-74.6	158.9	173.7	28.4	-31.5	0	0	0	112.1	Y124 Y239 W277 I280 P282	Y124-P236 VanDerWaalsContact CE1-O 3.25Å; Y124-P236 WeakPolarHBondContact CE1-O 3.4Å; Y124-P236 PolarHBondContact OH-O 2.8Å; P236-Y239 HydrophobicContact CB-CE1 4.31Å; P236-Y239 HydrophobicContact CG-CD1 3.96Å; P236-Y239 HydrophobicContact CG-CD2 3.95Å; P236-Y239 HydrophobicContact CG-CE1 3.47Å; P236-Y239 VanDerWaalsContact CG-CE1 3.47Å; P236-Y239 HydrophobicContact CG-CE2 3.46Å; P236-Y239 VanDerWaalsContact CG-CE2 3.46Å; P236-Y239 HydrophobicContact CG-CG 4.19Å; P236-W277 WeakPolarHBondContact CA-O 3.38Å; P236-W277 VanDerWaalsContact CB-O 3.31Å; P236-W277 WeakPolarHBondContact CB-O 3.28Å; P236-I280 HydrophobicContact CB-CB 4.12Å; P236-I280 VanDerWaalsContact CB-O 3.25Å; P236-I280 WeakPolarHBondContact CB-O 3.49Å; P236-I280 WeakPolarHBondContact CD-O 3.37Å; P236-I280 VanDerWaalsContact CG-O 3.31Å; P236-I280 WeakPolarHBondContact CG-O 3.4Å; P236-P282 HydrophobicContact CG-CG 4.39Å
237	T	98.4	Very high	97.7	Very high	12 Å²	12	19 Å²	19	7%	0.074	11%	0.111	C	C	.	.	S	Bend	trans	-78.7	161.4	160	53.2	0	0	0	0	110.7	K97 Y124 W277 T278	K97-T237 HydrophobicContact CG-CG2 4.27Å; Y124-T237 WeakPolarHBondContact OH-CA 3.49Å; T237-W277 HydrophobicContact CG2-CB 3.79Å; T237-W277 PolarHBondContact N-O 3.01Å; T237-W277 VanDerWaalsContact OG1-C 3.23Å; T237-W277 VanDerWaalsContact OG1-CB 3.23Å; T237-W277 WeakPolarHBondContact OG1-CB 3.23Å; T237-W277 PolarHBondContact OG1-O 2.88Å; T237-T278 WeakPolarHBondContact O-CA 3.4Å; T237-T278 PolarHBondContact OG1-N 3.28Å
238	G	98.3	Very high	97.6	Very high	19 Å²	19	19.3 Å²	19.3	20%	0.196	12%	0.116	C	C	.	.	S	Bend	trans	90.2	12	174.6	0	0	0	0	0	114.3	P93 C94	P93-G238 WeakPolarHBondContact CB-O 3.05Å; C94-G238 WeakPolarHBondContact O-CA 3.2Å; C94-G238 PolarHBondContact O-N 2.9Å
239	Y	98.7	Very high	97.4	Very high	23 Å²	23	25.2 Å²	25.2	9%	0.09	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-91.6	170.7	173.8	-78	14.4	0	0	0	111	P93 C94 Y124 T125 K126 H142 P236 P282	P93-Y239 WeakPolarHBondContact CA-O 3.41Å; C94-Y239 PolarHBondContact N-O 2.9Å; Y124-Y239 HydrophobicContact CD1-CD2 4.28Å; Y124-Y239 HydrophobicContact CE1-CD2 4.12Å; Y124-Y239 HydrophobicContact CE1-CG 4.25Å; T125-Y239 VanDerWaalsContact C-CD2 3.43Å; T125-Y239 VanDerWaalsContact C-CG 3.49Å; T125-Y239 WeakPolarHBondContact O-CB 3.49Å; K126-Y239 HydrophobicContact CB-CD1 4.03Å; K126-Y239 HydrophobicContact CB-CD2 4.44Å; K126-Y239 HydrophobicContact CB-CE1 3.57Å; K126-Y239 HydrophobicContact CB-CE2 4.02Å; K126-Y239 HydrophobicContact CB-CG 4.43Å; K126-Y239 HydrophobicContact CD-CE1 4.44Å; K126-Y239 HydrophobicContact CG-CD1 4.4Å; K126-Y239 HydrophobicContact CG-CE1 3.83Å; K126-Y239 VanDerWaalsContact N-CD2 3.32Å; H142-Y239 HydrophobicContact CB-CE2 4.43Å; H142-Y239 WeakPolarHBondContact O-CE2 2.98Å; P236-Y239 HydrophobicContact CB-CE1 4.31Å; P236-Y239 HydrophobicContact CG-CD1 3.96Å; P236-Y239 HydrophobicContact CG-CD2 3.95Å; P236-Y239 HydrophobicContact CG-CE1 3.47Å; P236-Y239 VanDerWaalsContact CG-CE1 3.47Å; P236-Y239 HydrophobicContact CG-CE2 3.46Å; P236-Y239 VanDerWaalsContact CG-CE2 3.46Å; P236-Y239 HydrophobicContact CG-CG 4.19Å; Y239-P282 HydrophobicContact CE2-CG 4.01Å
240	F	98.8	Very high	97.3	Very high	26 Å²	26	24.5 Å²	24.5	11%	0.114	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.8	-174.9	-59.4	-84.6	0	0	0	111.4	W89 N90 T91 P93 Y124 T125 K126 R128	W89-F240 HydrophobicContact CE3-CB 4.49Å; N90-F240 VanDerWaalsContact O-CD1 3.24Å; N90-F240 WeakPolarHBondContact O-CD1 3.4Å; T91-F240 WeakPolarHBondContact O-CE1 3.15Å; P93-F240 HydrophobicContact CB-CD1 4.41Å; P93-F240 HydrophobicContact CB-CE1 3.9Å; P93-F240 HydrophobicContact CB-CZ 4.02Å; P93-F240 HydrophobicContact CG-CE1 4.27Å; P93-F240 HydrophobicContact CG-CZ 4.45Å; Y124-F240 CarbonylContact C-O 3.54Å; Y124-F240 VanDerWaalsContact CA-O 3.3Å; Y124-F240 WeakPolarHBondContact CA-O 3.4Å; T125-F240 PolarHBondContact N-O 2.03Å; T125-F240 PolarHBondContact O-N 2.83Å; K126-F240 VanDerWaalsContact O-CD2 3.27Å; K126-F240 WeakPolarHBondContact O-CD2 3.49Å; K126-F240 WeakPolarHBondContact O-CE2 3.46Å; R128-F240 HydrophobicContact CB-CB 4.37Å; R128-F240 HydrophobicContact CB-CG 4.43Å
241	F	98.8	Very high	97.4	Very high	7 Å²	7	23.5 Å²	23.5	3%	0.031	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	144.1	166.5	-71	-71.9	0	0	0	111	H49 N90 C94 W99 M101 W123 Y124 L261	H49-F241 HydrophobicContact CB-CD2 4.47Å; N90-F241 HydrophobicContact CB-CB 4.34Å; N90-F241 WeakPolarHBondContact CB-O 3.23Å; N90-F241 PolarHBondContact N-O 3.44Å; C94-F241 HydrophobicContact CB-CD2 4.09Å; C94-F241 HydrophobicContact CB-CE2 3.61Å; W99-F241 HydrophobicContact CD2-CE1 4.34Å; W99-F241 AromaticContact CD2-CZ 3.81Å; W99-F241 HydrophobicContact CD2-CZ 3.81Å; W99-F241 AromaticContact CE2-CZ 3.88Å; W99-F241 HydrophobicContact CE3-CE1 4.14Å; W99-F241 AromaticContact CE3-CZ 3.96Å; W99-F241 HydrophobicContact CE3-CZ 3.96Å; W99-F241 HydrophobicContact CG-CZ 4.32Å; W99-F241 AromaticContact CH2-CE1 3.9Å; W99-F241 HydrophobicContact CH2-CE1 3.9Å; W99-F241 HydrophobicContact CH2-CZ 4.3Å; W99-F241 HydrophobicContact CZ2-CE1 4.08Å; W99-F241 HydrophobicContact CZ2-CZ 4.14Å; W99-F241 AromaticContact CZ3-CE1 3.93Å; W99-F241 HydrophobicContact CZ3-CE1 3.93Å; W99-F241 HydrophobicContact CZ3-CZ 4.21Å; M101-F241 HydrophobicContact CE-CB 4.08Å; M101-F241 HydrophobicContact CE-CD1 3.66Å; M101-F241 HydrophobicContact CE-CD2 4.01Å; M101-F241 HydrophobicContact CE-CE1 4.06Å; M101-F241 HydrophobicContact CE-CE2 4.37Å; M101-F241 HydrophobicContact CE-CG 3.64Å; M101-F241 HydrophobicContact CE-CZ 4.4Å; W123-F241 VanDerWaalsContact O-CA 3.31Å; W123-F241 WeakPolarHBondContact O-CA 3.34Å; Y124-F241 AromaticContact CD2-CD1 3.91Å; Y124-F241 HydrophobicContact CD2-CD1 3.91Å; Y124-F241 HydrophobicContact CD2-CD2 4.41Å; Y124-F241 AromaticContact CD2-CE1 3.55Å; Y124-F241 HydrophobicContact CD2-CE1 3.55Å; Y124-F241 HydrophobicContact CD2-CE2 4.09Å; Y124-F241 HydrophobicContact CD2-CG 4.33Å; Y124-F241 AromaticContact CD2-CZ 3.65Å; Y124-F241 HydrophobicContact CD2-CZ 3.65Å; Y124-F241 HydrophobicContact CE2-CE1 4.38Å; Y124-F241 HydrophobicContact CE2-CE2 4.24Å; Y124-F241 HydrophobicContact CE2-CZ 4.02Å; Y124-F241 HydrophobicContact CG-CE1 4.15Å; F241-L261 HydrophobicContact CD2-CD1 4.44Å; F241-L261 HydrophobicContact CD2-CD2 4.23Å; F241-L261 HydrophobicContact CE1-CD1 4.25Å; F241-L261 HydrophobicContact CE2-CD1 3.64Å; F241-L261 HydrophobicContact CE2-CD2 3.54Å; F241-L261 HydrophobicContact CE2-CG 4.24Å; F241-L261 HydrophobicContact CZ-CD1 3.52Å; F241-L261 HydrophobicContact CZ-CD2 4.24Å
242	G	98.5	Very high	97.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	170.3	174.6	0	0	0	0	0	112.6	I88 W123	I88-G242 CarbonylContact O-C 3.51Å; I88-G242 WeakPolarHBondContact O-CA 3.4Å; W123-G242 PolarHBondContact N-O 2.63Å; W123-G242 PolarHBondContact O-N 3.48Å
243	A	98.8	Very high	97.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	142.1	168.9	0	0	0	0	0	109	L77 S87 I88 A121 L122 V256 M259	L77-A243 HydrophobicContact CD1-CB 4.18Å; S87-A243 CarbonylContact C-O 3.42Å; S87-A243 WeakPolarHBondContact CA-O 3.4Å; S87-A243 WeakPolarHBondContact CB-O 3.36Å; I88-A243 HydrophobicContact CD1-CB 4.09Å; I88-A243 HydrophobicContact CG1-CB 3.79Å; I88-A243 PolarHBondContact N-O 3.26Å; I88-A243 PolarHBondContact O-N 3.47Å; A121-A243 CarbonylContact O-C 3.59Å; A121-A243 VanDerWaalsContact O-CA 3.25Å; A121-A243 WeakPolarHBondContact O-CA 3.29Å; L122-A243 HydrophobicContact CD2-CB 3.69Å; A243-V256 HydrophobicContact CB-CG2 4.3Å; A243-M259 HydrophobicContact CB-SD 4.2Å
244	S	98.9	Very high	97.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	158.8	174.8	68.3	0	0	0	0	110.9	G86 I120 A121 W123 F135	G86-S244 VanDerWaalsContact O-CA 3.28Å; G86-S244 WeakPolarHBondContact O-CA 3.36Å; I120-S244 CarbonylContact C-O 3.6Å; I120-S244 WeakPolarHBondContact CA-O 3.38Å; A121-S244 PolarHBondContact N-O 2.96Å; A121-S244 PolarHBondContact O-N 3.25Å; W123-S244 PolarHBondContact NE1-OG 2.97Å; F135-S244 CarbonylContact O-C 3.6Å; F135-S244 VanDerWaalsContact O-C 3.26Å; F135-S244 WeakPolarHBondContact O-CB 3.32Å; F135-S244 PolarHBondContact O-OG 2.8Å
245	A	98.7	Very high	97.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.6	171.4	0	0	0	0	0	109.8	L77 T78 Q85 G86 G119 I120 F135 H254	L77-A245 HydrophobicContact CB-CB 3.69Å; L77-A245 HydrophobicContact CD1-CB 3.95Å; L77-A245 HydrophobicContact CG-CB 4.49Å; T78-A245 HydrophobicContact CG2-CB 4.04Å; T78-A245 VanDerWaalsContact CG2-O 3.31Å; T78-A245 WeakPolarHBondContact CG2-O 3.3Å; Q85-A245 WeakPolarHBondContact CA-O 3.42Å; G86-A245 PolarHBondContact N-O 2.89Å; G86-A245 VanDerWaalsContact N-O 3.08Å; G86-A245 PolarHBondContact O-N 2.8Å; G119-A245 WeakPolarHBondContact O-CA 3.48Å; G119-A245 VanDerWaalsContact O-CB 3.3Å; G119-A245 WeakPolarHBondContact O-CB 3.37Å; I120-A245 HydrophobicContact CG1-CB 4.39Å; F135-A245 CarbonylContact O-C 3.59Å; F135-A245 VanDerWaalsContact O-C 3.25Å; F135-A245 VanDerWaalsContact O-CA 3.31Å; F135-A245 WeakPolarHBondContact O-CA 3.36Å; F135-A245 PolarHBondContact O-N 3.07Å; F135-A245 VanDerWaalsContact O-N 3.12Å; A245-H254 HydrophobicContact CB-CB 3.56Å
246	A	97.4	Very high	97.8	Very high	8 Å²	8	16 Å²	16	7%	0.066	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.8	172.9	0	0	0	0	0	111.3	K84 Q85 D118	K84-A246 CarbonylContact O-C 3.51Å; K84-A246 VanDerWaalsContact O-CA 3.24Å; K84-A246 WeakPolarHBondContact O-CA 3.06Å; Q85-A246 HydrophobicContact CG-CB 3.98Å; D118-A246 PolarHBondContact N-O 2.89Å; D118-A246 VanDerWaalsContact N-O 3.1Å
247	T	97.6	Very high	97.8	Very high	8 Å²	8	17.1 Å²	17.1	5%	0.049	10%	0.101	C	C	.	.			trans	-123.2	136.5	169.5	60.2	0	0	0	0	109.1	E81 S83 K84 L250	E81-T247 WeakPolarHBondContact O-CB 3.49Å; E81-T247 PolarHBondContact O-OG1 3.32Å; S83-T247 WeakPolarHBondContact CA-O 3.45Å; S83-T247 PolarHBondContact N-O 3.35Å; S83-T247 PolarHBondContact N-OG1 2.95Å; K84-T247 WeakPolarHBondContact CB-OG1 3.22Å; K84-T247 PolarHBondContact N-O 3.36Å; K84-T247 PolarHBondContact N-OG1 3.02Å; K84-T247 PolarHBondContact O-N 3.43Å; T247-L250 WeakPolarHBondContact CB-O 3.34Å
248	G	93.9	Very high	97.7	Very high	22 Å²	22	17 Å²	17	23%	0.227	10%	0.101	C	C	.	.	S	Bend	trans	-96.8	-128	176.3	0	0	0	0	0	112.1	R82 S83 L250	R82-G248 WeakPolarHBondContact CA-O 3.32Å; R82-G248 WeakPolarHBondContact CB-O 3.23Å; S83-G248 PolarHBondContact N-O 2.82Å; G248-L250 CarbonylContact C-O 3.46Å; G248-L250 PolarHBondContact N-O 3.05Å; G248-L250 VanDerWaalsContact N-O 3.11Å
249	D	93.3	Very high	97.7	Very high	129 Å²	129	16.3 Å²	16.3	69%	0.69	9%	0.092	S	C	*	.	S	Bend	trans	-70	-21.5	168.5	-74.4	-31.2	0	0	0	112.5	R82	R82-D249 WeakPolarHBondContact CD-O 3.37Å; R82-D249 WeakPolarHBondContact CG-O 3.34Å; R82-D249 PolarHBondContact NE-O 2.9Å
250	L	95.4	Very high	97.6	Very high	34 Å²	34	18.7 Å²	18.7	18%	0.178	10%	0.103	C	C	.	.	S	Bend	trans	-106.4	162.2	172	-56.7	175.7	0	0	0	109.2	L115 H116 F151 T247 G248	L115-L250 HydrophobicContact CB-CD2 3.98Å; L115-L250 HydrophobicContact CD2-CD2 4.2Å; H116-L250 WeakPolarHBondContact O-CD1 3.44Å; F151-L250 HydrophobicContact CD2-CD1 3.51Å; F151-L250 HydrophobicContact CE2-CD1 3.24Å; F151-L250 HydrophobicContact CG-CD1 4.27Å; F151-L250 HydrophobicContact CZ-CD1 3.81Å; T247-L250 WeakPolarHBondContact CB-O 3.34Å; G248-L250 CarbonylContact C-O 3.46Å; G248-L250 PolarHBondContact N-O 3.05Å; G248-L250 VanDerWaalsContact N-O 3.11Å
251	S	97.4	Very high	97.6	Very high	19 Å²	19	17.4 Å²	17.4	13%	0.133	10%	0.098	C	C	.	.			trans	-146	158.6	-174.8	56.1	0	0	0	0	112.1	D80 E81 G117	D80-S251 WeakPolarHBondContact OD1-CB 3.34Å; D80-S251 PolarHBondContact OD1-OG 3.29Å; E81-S251 VanDerWaalsContact C-CB 3.48Å; E81-S251 WeakPolarHBondContact O-CB 3.34Å; G117-S251 CarbonylContact O-C 3.59Å; G117-S251 VanDerWaalsContact O-C 3.29Å; G117-S251 VanDerWaalsContact O-CA 3.26Å; G117-S251 WeakPolarHBondContact O-CA 3.37Å
252	D	98.2	Very high	97.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.			trans	-153.7	158.4	167.5	-95.5	-32.9	0	0	0	108.4	P79 V107 G109 H116 G117 R195 H254	P79-D252 CarbonylContact C-O 3.29Å; P79-D252 VanDerWaalsContact O-O 3.13Å; V107-D252 HydrophobicContact CG1-CB 4.03Å; G109-D252 VanDerWaalsContact CA-OD1 3.23Å; G109-D252 WeakPolarHBondContact CA-OD1 3.44Å; G109-D252 PolarHBondContact N-OD1 2.84Å; H116-D252 WeakPolarHBondContact CB-OD2 3.29Å; H116-D252 IonicContact CD2-OD2 3.78Å; H116-D252 IonicContact CG-OD2 3.86Å; G117-D252 PolarHBondContact O-N 2.94Å; R195-D252 WeakPolarHBondContact CD-OD2 3.34Å; R195-D252 IonicContact CZ-OD1 3.29Å; R195-D252 VanDerWaalsContact CZ-OD1 3.29Å; R195-D252 IonicContact CZ-OD2 3.64Å; R195-D252 VanDerWaalsContact NE-CG 3.27Å; R195-D252 IonicContact NE-OD1 3.05Å; R195-D252 PolarHBondContact NE-OD1 2.89Å; R195-D252 IonicContact NE-OD2 2.7Å; R195-D252 PolarHBondContact NE-OD2 2.7Å; R195-D252 IonicContact NH2-OD1 2.71Å; R195-D252 PolarHBondContact NH2-OD1 3.05Å; R195-D252 IonicContact NH2-OD2 3.76Å; D252-H254 PolarHBondContact O-CE1 3.49Å; D252-H254 PolarHBondContact O-ND1 2.93Å
253	N	98.6	Very high	97.5	Very high	22 Å²	22	20.3 Å²	20.3	12%	0.118	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	129.9	161.8	-54.4	-77.1	0	0	0	109	R76 T78 D80 V107 H108	R76-N253 PolarHBondContact NH1-OD1 3.32Å; T78-N253 WeakPolarHBondContact O-CA 3.33Å; D80-N253 PolarHBondContact N-OD1 3.5Å; V107-N253 WeakPolarHBondContact CA-O 3.38Å; H108-N253 PolarHBondContact CE1-ND2 3.42Å; H108-N253 PolarHBondContact N-O 3.36Å; H108-N253 PolarHBondContact ND1-ND2 3.43Å; H108-N253 WeakPolarHBondContact O-CA 2.92Å; H108-N253 VanDerWaalsContact O-CB 3.23Å; H108-N253 WeakPolarHBondContact O-CB 3.24Å; H108-N253 PolarHBondContact O-N 3.48Å; H108-N253 PolarHBondContact O-ND2 2.93Å
254	H	98.8	Very high	97.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	97.5	177.4	-61.2	90.1	0	0	0	109	L77 T78 G119 I120 A245 D252	L77-H254 HydrophobicContact CB-CB 4.4Å; L77-H254 WeakPolarHBondContact CB-O 3.23Å; L77-H254 PolarHBondContact N-O 2.67Å; T78-H254 PolarHBondContact O-N 3.23Å; T78-H254 PolarHBondContact OG1-ND1 3.28Å; G119-H254 WeakPolarHBondContact CA-NE2 3.33Å; G119-H254 PolarHBondContact N-NE2 3.12Å; G119-H254 PolarHBondContact O-CD2 2.98Å; I120-H254 HydrophobicContact CD1-CB 4.07Å; I120-H254 HydrophobicContact CG1-CB 3.89Å; A245-H254 HydrophobicContact CB-CB 3.56Å; D252-H254 PolarHBondContact O-CE1 3.49Å; D252-H254 PolarHBondContact O-ND1 2.93Å
255	D	98.6	Very high	97	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.027	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.8	-174.2	-63.4	-24.4	0	0	0	110.6	Y74 V75 R76 F105 K106 H108 I257	Y74-D255 HydrophobicContact CD2-CB 4.44Å; V75-D255 CarbonylContact O-C 3.48Å; V75-D255 WeakPolarHBondContact O-CA 3.24Å; R76-D255 WeakPolarHBondContact CA-OD1 3.45Å; R76-D255 WeakPolarHBondContact CB-OD1 3.34Å; R76-D255 VanDerWaalsContact CG-OD1 3.24Å; R76-D255 WeakPolarHBondContact CG-OD1 3.46Å; R76-D255 IonicContact CZ-OD1 3.78Å; R76-D255 IonicContact CZ-OD2 3.43Å; R76-D255 IonicContact NE-OD1 3.71Å; R76-D255 PolarHBondContact NE-OD1 2.96Å; R76-D255 IonicContact NE-OD2 3.47Å; R76-D255 IonicContact NH2-OD1 2.76Å; R76-D255 PolarHBondContact NH2-OD1 2.96Å; R76-D255 IonicContact NH2-OD2 2.95Å; R76-D255 PolarHBondContact NH2-OD2 3.28Å; F105-D255 CarbonylContact C-O 3.26Å; F105-D255 VanDerWaalsContact CA-O 3.24Å; F105-D255 WeakPolarHBondContact CA-O 3.17Å; F105-D255 WeakPolarHBondContact CB-O 3.35Å; K106-D255 HydrophobicContact CB-CB 4.38Å; K106-D255 PolarHBondContact N-O 3.31Å; K106-D255 PolarHBondContact O-N 3.43Å; H108-D255 IonicContact CD2-OD2 3.73Å; H108-D255 IonicContact CE1-OD2 3.77Å; H108-D255 IonicContact NE2-OD2 2.79Å; H108-D255 PolarHBondContact NE2-OD2 2.95Å; D255-I257 HydrophobicContact CB-CD1 4.46Å
256	V	98.4	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.8	167.7	-179.6	0	0	0	0	107.8	L51 V75 L77 I88 V103 A243 M259	L51-V256 HydrophobicContact CD2-CG1 4.27Å; V75-V256 PolarHBondContact N-O 2.78Å; V75-V256 PolarHBondContact O-N 2.73Å; L77-V256 HydrophobicContact CD1-CG2 3.79Å; L77-V256 HydrophobicContact CG-CG2 4.12Å; I88-V256 HydrophobicContact CD1-CB 4.38Å; I88-V256 HydrophobicContact CD1-CG1 4.27Å; I88-V256 HydrophobicContact CD1-CG2 4.45Å; V103-V256 HydrophobicContact CG1-CG1 4.47Å; A243-V256 HydrophobicContact CB-CG2 4.3Å; V256-M259 HydrophobicContact CG1-CG 3.74Å; V256-M259 HydrophobicContact CG1-SD 4.21Å
257	I	97.9	Very high	96.6	Very high	26 Å²	26	36.4 Å²	36.4	13%	0.133	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-43.8	-179.1	-62.9	82.4	0	0	0	109.6	Y55 Q104 F105 K106 D255	Y55-I257 WeakPolarHBondContact CE1-O 3.49Å; Y55-I257 PolarHBondContact OH-O 2.79Å; Q104-I257 HydrophobicContact CB-CB 4.13Å; Q104-I257 HydrophobicContact CG-CB 3.86Å; Q104-I257 HydrophobicContact CG-CD1 4.43Å; Q104-I257 HydrophobicContact CG-CG1 4.43Å; Q104-I257 HydrophobicContact CG-CG2 4.22Å; Q104-I257 PolarHBondContact O-N 3.23Å; Q104-I257 VanDerWaalsContact OE1-CG2 3.31Å; F105-I257 VanDerWaalsContact C-CD1 3.4Å; K106-I257 HydrophobicContact CB-CD1 3.87Å; D255-I257 HydrophobicContact CB-CD1 4.46Å
258	S	97.4	Very high	96.4	Very high	10 Å²	10	37.4 Å²	37.4	7%	0.07	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	152.8	171.6	64.1	0	0	0	0	112.8	L51 V103 Q104	L51-S258 CarbonylContact O-C 3.59Å; L51-S258 WeakPolarHBondContact O-CA 3.36Å; L51-S258 WeakPolarHBondContact O-CB 3.24Å; V103-S258 CarbonylContact C-O 3.51Å; V103-S258 WeakPolarHBondContact CA-O 3.43Å; Q104-S258 WeakPolarHBondContact CB-OG 3.34Å; Q104-S258 PolarHBondContact N-O 2.8Å; Q104-S258 PolarHBondContact O-N 2.88Å; Q104-S258 VanDerWaalsContact O-N 3.12Å
259	M	98	Very high	96.4	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.9	165.4	-61.3	179	72.6	0	0	106.4	S50 L51 W62 I88 M101 H102 V103 L122 A243 V256	S50-M259 CarbonylContact C-O 3.59Å; S50-M259 WeakPolarHBondContact CA-O 3.38Å; S50-M259 WeakPolarHBondContact CB-O 3.42Å; L51-M259 HydrophobicContact CB-CB 4.14Å; L51-M259 PolarHBondContact N-O 3.02Å; L51-M259 PolarHBondContact O-N 3.46Å; W62-M259 HydrophobicContact CH2-CB 4.42Å; W62-M259 HydrophobicContact CH2-CE 4.12Å; W62-M259 HydrophobicContact CH2-SD 3.74Å; W62-M259 HydrophobicContact CZ3-SD 3.96Å; I88-M259 HydrophobicContact CD1-SD 3.91Å; M101-M259 HydrophobicContact CE-CE 4.21Å; M101-M259 HydrophobicContact SD-CB 3.88Å; M101-M259 HydrophobicContact SD-CE 4.44Å; H102-M259 CarbonylContact O-C 3.57Å; H102-M259 WeakPolarHBondContact O-CA 3.42Å; V103-M259 HydrophobicContact CG1-CG 4.2Å; V103-M259 HydrophobicContact CG2-CE 4.39Å; V103-M259 HydrophobicContact CG2-CG 4.25Å; L122-M259 HydrophobicContact CD2-CE 4.37Å; A243-M259 HydrophobicContact CB-SD 4.2Å; V256-M259 HydrophobicContact CG1-CG 3.74Å; V256-M259 HydrophobicContact CG1-SD 4.21Å
260	K	97.3	Very high	96.4	Very high	73 Å²	73	36.1 Å²	36.1	32%	0.317	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	116.4	-178.2	-64.9	178.8	-171.4	171	0	108.7	L45 T52 M101 H102 Y262	L45-K260 HydrophobicContact CD1-CB 3.81Å; L45-K260 HydrophobicContact CD1-CG 4.31Å; T52-K260 HydrophobicContact CG2-CD 4.42Å; T52-K260 HydrophobicContact CG2-CG 3.88Å; M101-K260 WeakPolarHBondContact CA-O 3.36Å; M101-K260 VanDerWaalsContact SD-C 3.57Å; H102-K260 HydrophobicContact CB-CB 4.47Å; H102-K260 PolarHBondContact N-O 2.81Å; H102-K260 PolarHBondContact O-N 3.21Å; K260-Y262 HydrophobicContact CB-CE2 3.74Å
261	L	97.9	Very high	96.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.4	177.9	-169.8	76.4	0	0	0	110.1	K46 H49 S50 L96 W99 E100 M101 F241	K46-L261 HydrophobicContact CB-CB 4.48Å; K46-L261 HydrophobicContact CB-CD2 4.37Å; K46-L261 PolarHBondContact N-O 3.15Å; H49-L261 HydrophobicContact CB-CB 3.86Å; H49-L261 HydrophobicContact CB-CD2 3.36Å; H49-L261 HydrophobicContact CB-CG 4.24Å; S50-L261 PolarHBondContact OG-N 2.75Å; S50-L261 VanDerWaalsContact OG-N 3.07Å; L96-L261 HydrophobicContact CD1-CD2 3.71Å; L96-L261 HydrophobicContact CD1-CG 4.35Å; W99-L261 HydrophobicContact CB-CD1 3.97Å; W99-L261 HydrophobicContact CD2-CD1 4.33Å; W99-L261 HydrophobicContact CE3-CD1 4.07Å; W99-L261 HydrophobicContact CG-CD1 4.33Å; E100-L261 CarbonylContact O-C 3.46Å; M101-L261 HydrophobicContact CB-CD1 4.1Å; M101-L261 HydrophobicContact CE-CB 4.01Å; M101-L261 HydrophobicContact CE-CD1 3.76Å; M101-L261 HydrophobicContact CE-CG 4.45Å; M101-L261 HydrophobicContact SD-CB 4.24Å; M101-L261 HydrophobicContact SD-CD1 4.34Å; F241-L261 HydrophobicContact CD2-CD1 4.44Å; F241-L261 HydrophobicContact CD2-CD2 4.23Å; F241-L261 HydrophobicContact CE1-CD1 4.25Å; F241-L261 HydrophobicContact CE2-CD1 3.64Å; F241-L261 HydrophobicContact CE2-CD2 3.54Å; F241-L261 HydrophobicContact CE2-CG 4.24Å; F241-L261 HydrophobicContact CZ-CD1 3.52Å; F241-L261 HydrophobicContact CZ-CD2 4.24Å
262	Y	97.8	Very high	95.9	Very high	10 Å²	10	43.2 Å²	43.2	4%	0.039	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.7	173.9	-58.2	-90.1	0	0	0	109.8	H44 L45 W99 E100 H102 K260	H44-Y262 WeakPolarHBondContact O-CA 3.25Å; L45-Y262 HydrophobicContact CB-CD1 4.09Å; L45-Y262 HydrophobicContact CB-CE1 3.93Å; L45-Y262 HydrophobicContact CD1-CD1 4.22Å; L45-Y262 HydrophobicContact CD1-CE1 3.8Å; L45-Y262 HydrophobicContact CD1-CE2 4.45Å; L45-Y262 HydrophobicContact CG-CE1 4.43Å; W99-Y262 VanDerWaalsContact CA-O 3.31Å; W99-Y262 WeakPolarHBondContact CA-O 3.44Å; E100-Y262 PolarHBondContact N-O 3.48Å; E100-Y262 PolarHBondContact O-N 3.04Å; H102-Y262 HydrophobicContact CB-CE2 4.26Å; H102-Y262 AromaticContact CE1-CE2 3.91Å; H102-Y262 AromaticContact CG-CE2 3.84Å; H102-Y262 AromaticContact ND1-CE2 3.54Å; K260-Y262 HydrophobicContact CB-CE2 3.74Å
263	Q	96.6	Very high	95.5	Very high	58 Å²	58	49 Å²	49	27%	0.271	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	133.3	167.5	175.7	176.2	-1.5	0	0	109.3	H44 K46 L96 M265	H44-Q263 WeakPolarHBondContact CB-O 3.41Å; H44-Q263 PolarHBondContact O-N 2.77Å; K46-Q263 HydrophobicContact CG-CB 4.4Å; L96-Q263 HydrophobicContact CD1-CB 4.13Å; L96-Q263 HydrophobicContact CD2-CB 4.26Å; L96-Q263 HydrophobicContact CD2-CG 4.07Å; Q263-M265 HydrophobicContact CG-SD 4.35Å
264	L	95.3	Very high	95.3	Very high	19 Å²	19	54.8 Å²	54.8	10%	0.099	28%	0.282	C	S	.	.			trans	-93	130.4	171.2	-56.8	175.5	0	0	0	109.1	T38 D98 E100 R206 V266	T38-L264 HydrophobicContact CG2-CD2 3.44Å; T38-L264 VanDerWaalsContact CG2-CD2 3.44Å; D98-L264 HydrophobicContact CB-CB 3.82Å; D98-L264 HydrophobicContact CB-CD1 4.31Å; D98-L264 PolarHBondContact O-N 2.76Å; D98-L264 VanDerWaalsContact O-N 3.14Å; E100-L264 HydrophobicContact CB-CD1 4.43Å; E100-L264 HydrophobicContact CB-CD2 4.09Å; E100-L264 HydrophobicContact CB-CG 4.4Å; R206-L264 HydrophobicContact CG-CD1 3.91Å; L264-V266 HydrophobicContact CB-CG2 3.95Å; L264-V266 PolarHBondContact O-N 2.91Å; L264-V266 VanDerWaalsContact O-N 3.09Å
265	M	92.8	Very high	95	Very high	135 Å²	135	58.8 Å²	58.8	67%	0.665	30%	0.303	S	S	*	.			trans	-82.7	86.7	177.3	-60.7	-55.5	-64.1	0	0	108.9	Q263	Q263-M265 HydrophobicContact CG-SD 4.35Å
266	V	94.2	Very high	94.9	Very high	39 Å²	39	62.5 Å²	62.5	24%	0.236	32%	0.323	C	S	.	.			trans	-117.9	127.4	-178.3	-178.3	0	0	0	0	109	D98 R209 L264 H268	D98-V266 HydrophobicContact CB-CB 4.26Å; D98-V266 HydrophobicContact CB-CG2 3.93Å; R209-V266 HydrophobicContact CG-CG1 3.84Å; L264-V266 HydrophobicContact CB-CG2 3.95Å; L264-V266 PolarHBondContact O-N 2.91Å; L264-V266 VanDerWaalsContact O-N 3.09Å; V266-H268 PolarHBondContact O-CD2 2.77Å; V266-H268 VanDerWaalsContact O-CD2 3.25Å
267	D	93.6	Very high	94.8	Very high	152 Å²	152	64.2 Å²	64.2	81%	0.813	33%	0.33	S	S	*	.			trans	-74.8	131.4	175.6	-64.9	-31.7	0	0	0	110.6
268	H	92.6	Very high	94.8	Very high	29 Å²	29	65.7 Å²	65.7	13%	0.134	34%	0.34	C	S	.	.			trans	-108.2	146.3	173.7	-68.9	-90.4	0	0	0	109.8	D98 V266 E272 E273	D98-H268 IonicContact OD2-CD2 3.88Å; D98-H268 IonicContact OD2-CE1 3.13Å; D98-H268 PolarHBondContact OD2-CE1 2.8Å; D98-H268 IonicContact OD2-NE2 2.62Å; D98-H268 PolarHBondContact OD2-NE2 2.82Å; V266-H268 PolarHBondContact O-CD2 2.77Å; V266-H268 VanDerWaalsContact O-CD2 3.25Å; H268-E272 HydrophobicContact CB-CB 4.12Å; H268-E273 HydrophobicContact CB-CG 4.01Å
269	S	94	Very high	94.8	Very high	42 Å²	42	72.7 Å²	72.7	29%	0.294	37%	0.369	S	S	.	.			trans	-65.7	153.6	172.6	60	0	0	0	0	111.3	E271 E272 E273	S269-E271 WeakPolarHBondContact CB-OE2 3.22Å; S269-E271 PolarHBondContact O-N 3.2Å; S269-E271 VanDerWaalsContact O-N 3.16Å; S269-E272 WeakPolarHBondContact CB-OE2 3.45Å; S269-E272 PolarHBondContact N-OE2 3.01Å; S269-E272 WeakPolarHBondContact O-CA 3.26Å; S269-E272 WeakPolarHBondContact O-CB 3.3Å; S269-E272 PolarHBondContact O-N 3.26Å; S269-E272 WeakPolarHBondContact OG-CB 3.46Å; S269-E272 VanDerWaalsContact OG-CD 3.22Å; S269-E272 VanDerWaalsContact OG-CG 3.22Å; S269-E272 WeakPolarHBondContact OG-CG 3.36Å; S269-E272 PolarHBondContact OG-N 3.09Å; S269-E272 PolarHBondContact OG-OE2 3.17Å; S269-E273 PolarHBondContact O-N 3.34Å
270	P	93	Very high	94.7	Very high	83 Å²	83	73.5 Å²	73.5	54%	0.539	37%	0.373	S	S	.	.	H	α-helix	trans	-55.7	-32.8	175.7	-25.7	35	0	0	0	113.1	E273 N274	P270-E273 PolarHBondContact O-N 3.36Å; P270-N274 VanDerWaalsContact O-CG 3.31Å; P270-N274 PolarHBondContact O-N 2.66Å; P270-N274 VanDerWaalsContact O-N 3.12Å; P270-N274 PolarHBondContact O-ND2 3.37Å
271	E	92.1	Very high	94.7	Very high	143 Å²	143	77 Å²	77	67%	0.668	39%	0.391	S	S	*	.	H	α-helix	trans	-65.3	-43.2	175.1	-62.9	76.6	-165.4	0	0	111.9	S269 E273 N274	S269-E271 WeakPolarHBondContact CB-OE2 3.22Å; S269-E271 PolarHBondContact O-N 3.2Å; S269-E271 VanDerWaalsContact O-N 3.16Å; E271-E273 VanDerWaalsContact C-N 3.33Å; E271-N274 PolarHBondContact O-N 2.73Å
272	E	90.5	Very high	94.7	Very high	59 Å²	59	77.3 Å²	77.3	28%	0.276	39%	0.393	S	S	.	.	H	α-helix	trans	-66.5	-34.4	174.7	-75.7	165.1	146.5	0	0	111.6	H268 S269 L275 W277	H268-E272 HydrophobicContact CB-CB 4.12Å; S269-E272 WeakPolarHBondContact CB-OE2 3.45Å; S269-E272 PolarHBondContact N-OE2 3.01Å; S269-E272 WeakPolarHBondContact O-CA 3.26Å; S269-E272 WeakPolarHBondContact O-CB 3.3Å; S269-E272 PolarHBondContact O-N 3.26Å; S269-E272 WeakPolarHBondContact OG-CB 3.46Å; S269-E272 VanDerWaalsContact OG-CD 3.22Å; S269-E272 VanDerWaalsContact OG-CG 3.22Å; S269-E272 WeakPolarHBondContact OG-CG 3.36Å; S269-E272 PolarHBondContact OG-N 3.09Å; S269-E272 PolarHBondContact OG-OE2 3.17Å; E272-L275 PolarHBondContact O-N 2.98Å; E272-W277 HydrophobicContact CB-CZ2 4.25Å; E272-W277 PolarHBondContact O-NE1 3.43Å
273	E	90.8	Very high	94.6	Very high	121 Å²	121	79.1 Å²	79.1	57%	0.565	41%	0.407	S	S	*	.	H	α-helix	trans	-69.4	-31.1	176.4	-68.3	-167.1	151.5	0	0	113.8	H268 S269 P270 E271 L275	H268-E273 HydrophobicContact CB-CG 4.01Å; S269-E273 PolarHBondContact O-N 3.34Å; P270-E273 PolarHBondContact O-N 3.36Å; E271-E273 VanDerWaalsContact C-N 3.33Å; E273-L275 VanDerWaalsContact C-N 3.29Å; E273-L275 PolarHBondContact O-N 2.73Å
274	N	92.9	Very high	94.5	Very high	143 Å²	143	78.1 Å²	78.1	77%	0.765	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-10.8	178.9	-74	-48.1	0	0	0	113.9	P270 E271	P270-N274 VanDerWaalsContact O-CG 3.31Å; P270-N274 PolarHBondContact O-N 2.66Å; P270-N274 VanDerWaalsContact O-N 3.12Å; P270-N274 PolarHBondContact O-ND2 3.37Å; E271-N274 PolarHBondContact O-N 2.73Å
275	L	94.1	Very high	94.2	Very high	84 Å²	84	79.6 Å²	79.6	44%	0.44	42%	0.416	S	S	.	.	S	Bend	trans	-73.5	140.4	177	-172.7	70.5	0	0	0	111	E272 E273 W277 I280	E272-L275 PolarHBondContact O-N 2.98Å; E273-L275 VanDerWaalsContact C-N 3.29Å; E273-L275 PolarHBondContact O-N 2.73Å; L275-W277 PolarHBondContact O-N 3.5Å; L275-W277 VanDerWaalsContact O-N 3.1Å; L275-I280 HydrophobicContact CD2-CD1 4.1Å; L275-I280 HydrophobicContact CD2-CG1 4.38Å
276	D	96.1	Very high	93	Very high	84 Å²	84	80.1 Å²	80.1	45%	0.449	42%	0.421	S	S	.	.			trans	-78.8	92.8	166.9	-173.1	-7.1	0	0	0	110.3	T278 K279	D276-T278 PolarHBondContact O-N 3.05Å; D276-T278 VanDerWaalsContact O-N 3.16Å; D276-T278 WeakPolarHBondContact OD1-CB 3.17Å; D276-T278 PolarHBondContact OD1-N 2.92Å; D276-T278 PolarHBondContact OD1-OG1 3.06Å; D276-T278 PolarHBondContact OD2-OG1 3.11Å; D276-K279 HydrophobicContact CB-CG 4.12Å; D276-K279 PolarHBondContact O-N 2.65Å; D276-K279 VanDerWaalsContact O-N 3.12Å; D276-K279 VanDerWaalsContact OD2-CG 3.22Å; D276-K279 WeakPolarHBondContact OD2-CG 3.33Å
277	W	97	Very high	90.9	Very high	36 Å²	36	86.8 Å²	86.8	14%	0.136	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-62.8	-18.5	-180	-71.1	76.9	0	0	0	113.5	K97 P236 T237 E272 L275 K279 I280	K97-W277 HydrophobicContact CD-CD2 4.21Å; K97-W277 HydrophobicContact CD-CZ2 4.1Å; K97-W277 HydrophobicContact CG-CD2 4.11Å; K97-W277 HydrophobicContact CG-CE3 4.32Å; K97-W277 HydrophobicContact CG-CG 4.44Å; P236-W277 WeakPolarHBondContact CA-O 3.38Å; P236-W277 VanDerWaalsContact CB-O 3.31Å; P236-W277 WeakPolarHBondContact CB-O 3.28Å; T237-W277 HydrophobicContact CG2-CB 3.79Å; T237-W277 PolarHBondContact N-O 3.01Å; T237-W277 VanDerWaalsContact OG1-C 3.23Å; T237-W277 VanDerWaalsContact OG1-CB 3.23Å; T237-W277 WeakPolarHBondContact OG1-CB 3.23Å; T237-W277 PolarHBondContact OG1-O 2.88Å; E272-W277 HydrophobicContact CB-CZ2 4.25Å; E272-W277 PolarHBondContact O-NE1 3.43Å; L275-W277 PolarHBondContact O-N 3.5Å; L275-W277 VanDerWaalsContact O-N 3.1Å; W277-K279 PolarHBondContact O-N 3.35Å; W277-I280 HydrophobicContact CB-CD1 4.31Å; W277-I280 HydrophobicContact CD2-CD1 3.93Å; W277-I280 HydrophobicContact CE3-CD1 3.5Å; W277-I280 VanDerWaalsContact CE3-CD1 3.5Å; W277-I280 HydrophobicContact CG-CD1 4.31Å; W277-I280 HydrophobicContact CZ3-CD1 4.11Å
278	T	97.6	Very high	88.4	Confident	56 Å²	56	86.4 Å²	86.4	34%	0.344	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-73.8	-15	177.5	75.2	0	0	0	0	112.8	Y95 T237 D276	Y95-T278 HydrophobicContact CD1-CG2 4.33Å; Y95-T278 HydrophobicContact CE1-CG2 3.95Å; T237-T278 WeakPolarHBondContact O-CA 3.4Å; T237-T278 PolarHBondContact OG1-N 3.28Å; D276-T278 PolarHBondContact O-N 3.05Å; D276-T278 VanDerWaalsContact O-N 3.16Å; D276-T278 WeakPolarHBondContact OD1-CB 3.17Å; D276-T278 PolarHBondContact OD1-N 2.92Å; D276-T278 PolarHBondContact OD1-OG1 3.06Å; D276-T278 PolarHBondContact OD2-OG1 3.11Å
279	K	96.9	Very high	85.9	Confident	157 Å²	157	89 Å²	89	68%	0.683	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-101	1.6	-177.4	-57	-62.5	177.6	-173.9	0	113.8	D276 W277 E281	D276-K279 HydrophobicContact CB-CG 4.12Å; D276-K279 PolarHBondContact O-N 2.65Å; D276-K279 VanDerWaalsContact O-N 3.12Å; D276-K279 VanDerWaalsContact OD2-CG 3.22Å; D276-K279 WeakPolarHBondContact OD2-CG 3.33Å; W277-K279 PolarHBondContact O-N 3.35Å; K279-E281 PolarHBondContact O-N 2.8Å
280	I	96.1	Very high	83.4	Confident	20 Å²	20	93.4 Å²	93.4	10%	0.103	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-66.7	124.9	177.1	-65.2	172.9	0	0	0	109.2	R234 P236 L275 W277	R234-I280 HydrophobicContact CB-CG2 3.92Å; P236-I280 HydrophobicContact CB-CB 4.12Å; P236-I280 VanDerWaalsContact CB-O 3.25Å; P236-I280 WeakPolarHBondContact CB-O 3.49Å; P236-I280 WeakPolarHBondContact CD-O 3.37Å; P236-I280 VanDerWaalsContact CG-O 3.31Å; P236-I280 WeakPolarHBondContact CG-O 3.4Å; L275-I280 HydrophobicContact CD2-CD1 4.1Å; L275-I280 HydrophobicContact CD2-CG1 4.38Å; W277-I280 HydrophobicContact CB-CD1 4.31Å; W277-I280 HydrophobicContact CD2-CD1 3.93Å; W277-I280 HydrophobicContact CE3-CD1 3.5Å; W277-I280 VanDerWaalsContact CE3-CD1 3.5Å; W277-I280 HydrophobicContact CG-CD1 4.31Å; W277-I280 HydrophobicContact CZ3-CD1 4.11Å
281	E	96.9	Very high	81.2	Confident	147 Å²	147	97.5 Å²	97.5	69%	0.687	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-76.4	130.3	171.5	-68.5	-167.9	164.7	0	0	110.7	K279 S283	K279-E281 PolarHBondContact O-N 2.8Å; E281-S283 PolarHBondContact O-N 3.17Å; E281-S283 VanDerWaalsContact O-N 3.15Å; E281-S283 PolarHBondContact O-OG 2.92Å; E281-S283 VanDerWaalsContact O-OG 3.08Å
282	P	97.8	Very high	79	Confident	6 Å²	6	97.4 Å²	97.4	4%	0.039	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-54.3	120.5	174.7	-25.2	34	0	0	0	111.1	V169 N170 N171 R234 L235 P236 Y239	V169-P282 HydrophobicContact CG1-CB 3.92Å; N170-P282 VanDerWaalsContact O-CB 3.23Å; N170-P282 WeakPolarHBondContact O-CB 3.38Å; N171-P282 WeakPolarHBondContact CB-O 3.24Å; R234-P282 VanDerWaalsContact O-CA 3.26Å; R234-P282 WeakPolarHBondContact O-CA 3.4Å; L235-P282 HydrophobicContact CD2-CB 4.4Å; P236-P282 HydrophobicContact CG-CG 4.39Å; Y239-P282 HydrophobicContact CE2-CG 4.01Å
283	S	96.5	Very high	76.5	Confident	49 Å²	49	100.3 Å²	100.3	34%	0.343	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	166.1	-177.9	50.1	0	0	0	0	111.2	R234 E281	R234-S283 PolarHBondContact N-O 2.93Å; R234-S283 PolarHBondContact O-N 3.12Å; E281-S283 PolarHBondContact O-N 3.17Å; E281-S283 VanDerWaalsContact O-N 3.15Å; E281-S283 PolarHBondContact O-OG 2.92Å; E281-S283 VanDerWaalsContact O-OG 3.08Å
284	V	93.8	Very high	74.7	Confident	36 Å²	36	101.8 Å²	101.8	22%	0.218	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115	171.1	-175.3	0	0	0	0	108.3	V169 L187 G232 V233 L286	V169-V284 HydrophobicContact CB-CG2 4Å; V169-V284 HydrophobicContact CG1-CG2 4.33Å; V169-V284 HydrophobicContact CG2-CG2 4.18Å; L187-V284 HydrophobicContact CD1-CG2 3.73Å; L187-V284 HydrophobicContact CD2-CB 4.24Å; L187-V284 HydrophobicContact CD2-CG1 4.47Å; L187-V284 HydrophobicContact CD2-CG2 3.65Å; L187-V284 HydrophobicContact CG-CG2 4.36Å; G232-V284 CarbonylContact O-C 3.6Å; G232-V284 WeakPolarHBondContact O-CA 3.35Å; V233-V284 HydrophobicContact CG2-CG1 4.45Å; V233-V284 HydrophobicContact CG2-CG2 4.17Å; V284-L286 HydrophobicContact CG1-CD2 4.38Å; V284-L286 PolarHBondContact O-N 3.31Å; V284-L286 VanDerWaalsContact O-N 3.1Å
285	S	88.1	Confident	72.4	Confident	50 Å²	50	102.4 Å²	102.4	35%	0.35	53%	0.532	S	S	.	.			trans	-74.7	99	167.6	60.2	0	0	0	0	107.2	G232 F287	G232-S285 WeakPolarHBondContact CA-OG 3.23Å; G232-S285 PolarHBondContact O-N 2.66Å; G232-S285 PolarHBondContact O-OG 2.84Å; S285-F287 PolarHBondContact O-N 3.31Å
286	L	67.5	Low	69.9	Low	146 Å²	146	104.1 Å²	104.1	76%	0.764	54%	0.542	S	S	*	.			trans	-63.7	84.8	173.9	-65.9	169.8	0	0	0	109.2	V284 K288	V284-L286 HydrophobicContact CG1-CD2 4.38Å; V284-L286 PolarHBondContact O-N 3.31Å; V284-L286 VanDerWaalsContact O-N 3.1Å; L286-K288 PolarHBondContact O-N 2.9Å
287	F	52	Low	67.5	Low	179 Å²	179	106.4 Å²	106.4	79%	0.785	56%	0.561	S	S	*	*			trans	-67.9	96.5	147.2	-68.7	-73.5	0	0	0	104.3	S285 S289	S285-F287 PolarHBondContact O-N 3.31Å; F287-S289 PolarHBondContact O-N 3.48Å
288	K	39.4	Very low	64.8	Low	144 Å²	144	109.4 Å²	109.4	63%	0.626	58%	0.584	S	S	*	*			trans	-40.6	103.9	173.9	-117.4	177.8	177.8	-175.6	0	107.8	L286 N293	L286-K288 PolarHBondContact O-N 2.9Å; K288-N293 WeakPolarHBondContact CE-ND2 3.41Å; K288-N293 WeakPolarHBondContact CE-OD1 3.23Å; K288-N293 VanDerWaalsContact NZ-CG 3.31Å; K288-N293 PolarHBondContact NZ-ND2 3.28Å; K288-N293 VanDerWaalsContact NZ-ND2 3.14Å; K288-N293 PolarHBondContact NZ-OD1 3.47Å
289	S	40.3	Very low	62.4	Low	85 Å²	85	110.7 Å²	110.7	59%	0.594	61%	0.607	S	S	*	*			trans	-56.3	133.5	163.3	-169.3	0	0	0	0	105.2	F287 K291	F287-S289 PolarHBondContact O-N 3.48Å; S289-K291 PolarHBondContact O-N 2.98Å
290	P	41.9	Very low	59.3	Low	134 Å²	134	110.2 Å²	110.2	87%	0.87	61%	0.613	S	S	*	*	S	Bend	trans	-64.2	19.7	-174.8	-25.7	35.2	0	0	0	116.3
291	K	46.8	Very low	56.8	Low	169 Å²	169	119.5 Å²	119.5	74%	0.735	65%	0.653	S	S	*	*	S	Bend	trans	-110.3	126.4	174	-71.8	177.4	176.9	170.4	0	107.7	S289	S289-K291 PolarHBondContact O-N 2.98Å
292	D	46.3	Very low	54.2	Low	140 Å²	140	123.7 Å²	123.7	75%	0.749	66%	0.662	S	S	*	*			trans	89.3	72.8	170.8	-45.7	-22.7	0	0	0	115.5
293	N	37.4	Very low	51.7	Low	120 Å²	120	126.2 Å²	126.2	64%	0.642	69%	0.689	S	S	*	*			trans	-123.7	75.3	135.9	-62.8	-85.6	0	0	0	107.4	K288	K288-N293 WeakPolarHBondContact CE-ND2 3.41Å; K288-N293 WeakPolarHBondContact CE-OD1 3.23Å; K288-N293 VanDerWaalsContact NZ-CG 3.31Å; K288-N293 PolarHBondContact NZ-ND2 3.28Å; K288-N293 VanDerWaalsContact NZ-ND2 3.14Å; K288-N293 PolarHBondContact NZ-OD1 3.47Å
294	I	52.5	Low	49.5	Very low	153 Å²	153	129.7 Å²	129.7	79%	0.785	71%	0.708	S	S	*	*			trans	-96.8	98.8	151.4	-62.1	175.9	0	0	0	103.5
295	D	45.9	Very low	47.5	Very low	155 Å²	155	134 Å²	134	83%	0.829	74%	0.737	S	S	*	*			trans	176.9	79.2	150.3	-82.3	-21.3	0	0	0	107.4
296	D	41.5	Very low	46.1	Very low	121 Å²	121	135.8 Å²	135.8	65%	0.647	74%	0.742	S	S	*	*			trans	-113.2	112.8	157	-173	-6.8	0	0	0	107.3	T298	D296-T298 PolarHBondContact O-N 3.35Å; D296-T298 WeakPolarHBondContact OD1-CB 3.2Å; D296-T298 PolarHBondContact OD1-N 3.36Å; D296-T298 PolarHBondContact OD1-OG1 2.93Å
297	P	45	Very low	46.4	Very low	131 Å²	131	133.3 Å²	133.3	85%	0.851	73%	0.733	S	S	*	*			trans	-78.7	13.9	175.5	33.3	-32.9	0	0	0	112.8
298	T	41.5	Very low	47.5	Very low	100 Å²	100	127.8 Å²	127.8	61%	0.613	73%	0.727	S	S	*	*	S	Bend	trans	-118.7	96.8	-178.9	-5.1	0	0	0	0	110.8	D296 N300	D296-T298 PolarHBondContact O-N 3.35Å; D296-T298 WeakPolarHBondContact OD1-CB 3.2Å; D296-T298 PolarHBondContact OD1-N 3.36Å; D296-T298 PolarHBondContact OD1-OG1 2.93Å; T298-N300 PolarHBondContact O-N 3.3Å
299	G	46.2	Very low	49.1	Very low	82 Å²	82	129.4 Å²	129.4	85%	0.845	73%	0.729	S	S	*	*			trans	-56	106.3	170.5	0	0	0	0	0	111.3
300	N	32.9	Very low	50.4	Low	148 Å²	148	131.1 Å²	131.1	79%	0.791	73%	0.726	S	S	*	*			trans	-145.8	89.7	160.2	-115.4	1.3	0	0	0	109.3	T298 R302	T298-N300 PolarHBondContact O-N 3.3Å; N300-R302 VanDerWaalsContact C-N 3.32Å; N300-R302 PolarHBondContact O-N 3.47Å
301	F	41.9	Very low	52.2	Low	215 Å²	215	127.6 Å²	127.6	94%	0.943	70%	0.702	S	S	*	*			trans	-68.2	84.8	177.4	-141.6	-90	0	0	0	109.8
302	R	42.7	Very low	53.9	Low	235 Å²	235	125.1 Å²	125.1	89%	0.887	69%	0.691	S	S	*	*			trans	-103.5	97.8	162.7	-82.1	-174.2	168.8	178.8	-2.2	108	N300	N300-R302 VanDerWaalsContact C-N 3.32Å; N300-R302 PolarHBondContact O-N 3.47Å
303	G	45.8	Very low	55.7	Low	58 Å²	58	121.9 Å²	121.9	60%	0.598	67%	0.673	S	S	*	*			trans	-53.9	139.2	179.7	0	0	0	0	0	112.2
304	T	49.9	Very low	58.1	Low	122 Å²	122	121.1 Å²	121.1	75%	0.748	67%	0.669	S	S	*	*			trans	-44.3	133.3	166.4	33.9	0	0	0	0	110.8	L306	T304-L306 PolarHBondContact O-N 2.88Å
305	P	51.1	Low	59.7	Low	126 Å²	126	119.3 Å²	119.3	82%	0.818	66%	0.66	S	S	*	*			trans	-61.1	111	175.7	24.2	-31	0	0	0	109	T307	P305-T307 PolarHBondContact O-N 3.09Å
306	L	59.8	Low	61.9	Low	89 Å²	89	115.7 Å²	115.7	47%	0.466	64%	0.64	S	S	.	*			trans	-64.3	120.6	174.6	-72.7	161.1	0	0	0	107.9	T304 K310 V311 L314	T304-L306 PolarHBondContact O-N 2.88Å; L306-K310 HydrophobicContact CB-CB 4.35Å; L306-K310 HydrophobicContact CD2-CB 3.88Å; L306-K310 HydrophobicContact CD2-CD 4.02Å; L306-V311 HydrophobicContact CB-CG2 3.55Å; L306-V311 HydrophobicContact CD1-CG2 4.28Å; L306-L314 HydrophobicContact CD1-CD1 3.96Å
307	T	72.8	Confident	64.1	Low	93 Å²	93	113.7 Å²	113.7	57%	0.571	64%	0.635	S	S	*	*			trans	-54.1	140.4	169.1	42.9	0	0	0	0	109.3	P305 W309 K310 V311	P305-T307 PolarHBondContact O-N 3.09Å; T307-W309 PolarHBondContact O-N 3.5Å; T307-K310 WeakPolarHBondContact O-CB 3.41Å; T307-K310 PolarHBondContact O-N 2.79Å; T307-V311 PolarHBondContact O-N 3.33Å
308	G	75.1	Confident	66.3	Low	63 Å²	63	110 Å²	110	65%	0.649	62%	0.616	S	S	*	*	H	α-helix	trans	-52.2	-28.4	-169.5	0	0	0	0	0	115	V311 F312	G308-V311 PolarHBondContact O-N 2.95Å; G308-F312 WeakPolarHBondContact O-CB 3.11Å; G308-F312 PolarHBondContact O-N 3.01Å
309	W	74.2	Confident	68.7	Low	179 Å²	179	110.7 Å²	110.7	68%	0.678	62%	0.615	S	S	*	*	H	α-helix	trans	-64.3	-40	172.7	-176	-101.7	0	0	0	114	T307 F312 L313	T307-W309 PolarHBondContact O-N 3.5Å; W309-F312 PolarHBondContact O-N 3.43Å; W309-L313 VanDerWaalsContact NE1-CD1 3.34Å; W309-L313 PolarHBondContact O-N 2.99Å
310	K	67.7	Low	70.9	Confident	121 Å²	121	111.5 Å²	111.5	53%	0.526	60%	0.599	S	S	.	*	H	α-helix	trans	-68.9	-36.5	176.8	-68.6	-173.1	173.8	-176	0	111.5	L306 T307 L314	L306-K310 HydrophobicContact CB-CB 4.35Å; L306-K310 HydrophobicContact CD2-CB 3.88Å; L306-K310 HydrophobicContact CD2-CD 4.02Å; T307-K310 WeakPolarHBondContact O-CB 3.41Å; T307-K310 PolarHBondContact O-N 2.79Å; K310-L314 WeakPolarHBondContact O-CG 3.41Å; K310-L314 PolarHBondContact O-N 3.04Å
311	V	78.4	Confident	73.7	Confident	60 Å²	60	106 Å²	106	36%	0.364	58%	0.578	S	S	.	*	H	α-helix	trans	-65.3	-43.8	173.6	-179.5	0	0	0	0	110.7	L306 T307 G308 L313 L314 L315	L306-V311 HydrophobicContact CB-CG2 3.55Å; L306-V311 HydrophobicContact CD1-CG2 4.28Å; T307-V311 PolarHBondContact O-N 3.33Å; G308-V311 PolarHBondContact O-N 2.95Å; V311-L313 PolarHBondContact O-N 3.4Å; V311-L314 PolarHBondContact O-N 2.89Å; V311-L315 HydrophobicContact CG1-CD1 4.03Å; V311-L315 HydrophobicContact CG1-CG 4.44Å; V311-L315 WeakPolarHBondContact O-CG 3.3Å; V311-L315 PolarHBondContact O-N 2.62Å
312	F	82.6	Confident	76.1	Confident	116 Å²	116	101.5 Å²	101.5	51%	0.509	56%	0.562	S	S	.	*	H	α-helix	trans	-59.4	-46.1	176.1	176	-99.8	0	0	0	112.4	G308 W309 L314 L315 L316	G308-F312 WeakPolarHBondContact O-CB 3.11Å; G308-F312 PolarHBondContact O-N 3.01Å; W309-F312 PolarHBondContact O-N 3.43Å; F312-L314 PolarHBondContact O-N 2.85Å; F312-L315 PolarHBondContact O-N 3.43Å; F312-L316 WeakPolarHBondContact O-CB 3.22Å; F312-L316 PolarHBondContact O-N 2.77Å
313	L	85.8	Confident	78.5	Confident	73 Å²	73	94 Å²	94	38%	0.382	54%	0.542	S	S	.	.	H	α-helix	trans	-61.9	-43.1	176.7	-87.6	163.7	0	0	0	112.5	W309 V311 L315 L316 C317	W309-L313 VanDerWaalsContact NE1-CD1 3.34Å; W309-L313 PolarHBondContact O-N 2.99Å; V311-L313 PolarHBondContact O-N 3.4Å; L313-L315 PolarHBondContact O-N 3.29Å; L313-L316 PolarHBondContact O-N 3.28Å; L313-C317 WeakPolarHBondContact O-CB 3.42Å; L313-C317 PolarHBondContact O-N 2.8Å; L313-C317 PolarHBondContact O-SG 3.05Å; L313-C317 VanDerWaalsContact O-SG 3.36Å
314	L	85.9	Confident	80.7	Confident	104 Å²	104	95.6 Å²	95.6	55%	0.545	54%	0.54	S	S	.	.	H	α-helix	trans	-63.2	-42.2	177.5	-75.3	170.7	0	0	0	111.9	L306 K310 V311 F312 C317 A318	L306-L314 HydrophobicContact CD1-CD1 3.96Å; K310-L314 WeakPolarHBondContact O-CG 3.41Å; K310-L314 PolarHBondContact O-N 3.04Å; V311-L314 PolarHBondContact O-N 2.89Å; F312-L314 PolarHBondContact O-N 2.85Å; L314-C317 PolarHBondContact O-N 2.86Å; L314-A318 WeakPolarHBondContact O-CB 3.33Å; L314-A318 PolarHBondContact O-N 3.35Å
315	L	87.9	Confident	82.7	Confident	114 Å²	114	94.2 Å²	94.2	60%	0.597	53%	0.534	S	S	*	.	H	α-helix	trans	-65.9	-39.5	176.3	-70.6	173.6	0	0	0	112	V311 F312 L313 A318 L319	V311-L315 HydrophobicContact CG1-CD1 4.03Å; V311-L315 HydrophobicContact CG1-CG 4.44Å; V311-L315 WeakPolarHBondContact O-CG 3.3Å; V311-L315 PolarHBondContact O-N 2.62Å; F312-L315 PolarHBondContact O-N 3.43Å; L313-L315 PolarHBondContact O-N 3.29Å; L315-A318 PolarHBondContact O-N 3.2Å; L315-L319 WeakPolarHBondContact O-CB 3.4Å; L315-L319 PolarHBondContact O-N 2.82Å
316	L	90.3	Very high	84.6	Confident	80 Å²	80	91.1 Å²	91.1	42%	0.419	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-47.5	175	-173.4	80.2	0	0	0	111.2	F312 L313 A318 L319 L320	F312-L316 WeakPolarHBondContact O-CB 3.22Å; F312-L316 PolarHBondContact O-N 2.77Å; L313-L316 PolarHBondContact O-N 3.28Å; L316-A318 PolarHBondContact O-N 3.46Å; L316-L319 PolarHBondContact O-N 3.41Å; L316-L320 HydrophobicContact CG-CD1 4.26Å; L316-L320 WeakPolarHBondContact O-CG 3.32Å; L316-L320 PolarHBondContact O-N 2.87Å
317	C	88.9	Confident	86	Confident	79 Å²	79	91.1 Å²	91.1	53%	0.534	52%	0.523	S	S	.	.	H	α-helix	trans	-63.1	-41	177.7	-72.2	0	0	0	0	112.1	L313 L314 L320 G321	L313-C317 WeakPolarHBondContact O-CB 3.42Å; L313-C317 PolarHBondContact O-N 2.8Å; L313-C317 PolarHBondContact O-SG 3.05Å; L313-C317 VanDerWaalsContact O-SG 3.36Å; L314-C317 PolarHBondContact O-N 2.86Å; C317-L320 PolarHBondContact O-N 2.7Å; C317-G321 PolarHBondContact O-N 2.71Å
318	A	91.1	Very high	86.9	Confident	54 Å²	54	90.7 Å²	90.7	45%	0.446	52%	0.52	S	S	.	.	H	α-helix	trans	-62.8	-43.2	176	0	0	0	0	0	111.7	L314 L315 L316 G321 I322	L314-A318 WeakPolarHBondContact O-CB 3.33Å; L314-A318 PolarHBondContact O-N 3.35Å; L315-A318 PolarHBondContact O-N 3.2Å; L316-A318 PolarHBondContact O-N 3.46Å; A318-G321 PolarHBondContact O-N 3.28Å; A318-I322 WeakPolarHBondContact O-CG1 3.13Å; A318-I322 PolarHBondContact O-N 3.06Å
319	L	92.1	Very high	87.6	Confident	113 Å²	113	89.5 Å²	89.5	59%	0.592	51%	0.508	S	S	*	.	H	α-helix	trans	-66.9	-41.7	179.7	-162.1	142.6	0	0	0	111.7	L315 L316 G321 I322 V323	L315-L319 WeakPolarHBondContact O-CB 3.4Å; L315-L319 PolarHBondContact O-N 2.82Å; L316-L319 PolarHBondContact O-N 3.41Å; L319-G321 VanDerWaalsContact C-N 3.35Å; L319-I322 PolarHBondContact O-N 2.95Å; L319-V323 HydrophobicContact CD2-CG2 4.47Å; L319-V323 WeakPolarHBondContact O-CG2 3.04Å; L319-V323 PolarHBondContact O-N 2.84Å; L319-V323 VanDerWaalsContact O-N 3.09Å
320	L	91.4	Very high	88.2	Confident	99 Å²	99	83.4 Å²	83.4	52%	0.518	50%	0.496	S	S	.	.	H	α-helix	trans	-62.4	-41.4	172.6	-70.9	172	0	0	0	111.8	L316 C317 I322 V323 V324	L316-L320 HydrophobicContact CG-CD1 4.26Å; L316-L320 WeakPolarHBondContact O-CG 3.32Å; L316-L320 PolarHBondContact O-N 2.87Å; C317-L320 PolarHBondContact O-N 2.7Å; L320-I322 PolarHBondContact O-N 3.29Å; L320-V323 PolarHBondContact O-N 3.08Å; L320-V324 WeakPolarHBondContact O-CG2 3.24Å; L320-V324 PolarHBondContact O-N 2.86Å
321	G	91.3	Very high	89.1	Confident	33 Å²	33	81.6 Å²	81.6	34%	0.34	50%	0.495	S	S	.	.	H	α-helix	trans	-59	-44.8	175.1	0	0	0	0	0	112.6	C317 A318 L319 V323 V324 C325	C317-G321 PolarHBondContact O-N 2.71Å; A318-G321 PolarHBondContact O-N 3.28Å; L319-G321 VanDerWaalsContact C-N 3.35Å; G321-V323 PolarHBondContact O-N 3.28Å; G321-V324 PolarHBondContact O-N 3.21Å; G321-C325 PolarHBondContact O-N 3.1Å; G321-C325 PolarHBondContact O-SG 3.32Å; G321-C325 VanDerWaalsContact O-SG 3.36Å
322	I	93.6	Very high	89.5	Confident	120 Å²	120	83 Å²	83	62%	0.615	50%	0.503	S	S	*	.	H	α-helix	trans	-62.1	-43.1	176.9	-68	165.8	0	0	0	111.1	A318 L319 L320 V324 C325 A326	A318-I322 WeakPolarHBondContact O-CG1 3.13Å; A318-I322 PolarHBondContact O-N 3.06Å; L319-I322 PolarHBondContact O-N 2.95Å; L320-I322 PolarHBondContact O-N 3.29Å; I322-V324 PolarHBondContact O-N 3.41Å; I322-C325 PolarHBondContact O-N 3.28Å; I322-A326 WeakPolarHBondContact O-CB 3.3Å; I322-A326 PolarHBondContact O-N 2.91Å
323	V	92.4	Very high	89.5	Confident	77 Å²	77	83.5 Å²	83.5	47%	0.467	51%	0.505	S	S	.	.	H	α-helix	trans	-61.9	-44.7	177.6	173.1	0	0	0	0	110.8	L319 L320 G321 A326 V327	L319-V323 HydrophobicContact CD2-CG2 4.47Å; L319-V323 WeakPolarHBondContact O-CG2 3.04Å; L319-V323 PolarHBondContact O-N 2.84Å; L319-V323 VanDerWaalsContact O-N 3.09Å; L320-V323 PolarHBondContact O-N 3.08Å; G321-V323 PolarHBondContact O-N 3.28Å; V323-A326 PolarHBondContact O-N 3.42Å; V323-V327 HydrophobicContact CG1-CG2 4.46Å; V323-V327 WeakPolarHBondContact O-CG2 3.47Å; V323-V327 PolarHBondContact O-N 3.41Å
324	V	92.3	Very high	89.3	Confident	92 Å²	92	86 Å²	86	56%	0.558	52%	0.515	S	S	*	.	H	α-helix	trans	-61.7	-46.2	176.9	173.1	0	0	0	0	110.9	L320 G321 I322 A326 V327 V328	L320-V324 WeakPolarHBondContact O-CG2 3.24Å; L320-V324 PolarHBondContact O-N 2.86Å; G321-V324 PolarHBondContact O-N 3.21Å; I322-V324 PolarHBondContact O-N 3.41Å; V324-A326 VanDerWaalsContact C-N 3.32Å; V324-A326 PolarHBondContact O-N 3.34Å; V324-V327 PolarHBondContact O-N 3.32Å; V324-V328 HydrophobicContact CG1-CG2 4.3Å; V324-V328 WeakPolarHBondContact O-CB 3.33Å; V324-V328 VanDerWaalsContact O-CG2 3.3Å; V324-V328 WeakPolarHBondContact O-CG2 3.35Å; V324-V328 PolarHBondContact O-N 2.86Å
325	C	91.1	Very high	89	Confident	93 Å²	93	88.3 Å²	88.3	63%	0.628	52%	0.521	S	S	*	.	H	α-helix	trans	-61.2	-39.6	176.9	-71.8	0	0	0	0	112.4	G321 I322 G329	G321-C325 PolarHBondContact O-N 3.1Å; G321-C325 PolarHBondContact O-SG 3.32Å; G321-C325 VanDerWaalsContact O-SG 3.36Å; I322-C325 PolarHBondContact O-N 3.28Å; C325-G329 PolarHBondContact O-N 3.42Å
326	A	91.1	Very high	88.3	Confident	62 Å²	62	90.4 Å²	90.4	51%	0.512	52%	0.521	S	S	.	.	H	α-helix	trans	-66.3	-43.2	177.2	0	0	0	0	0	112	I322 V323 V324 G329 A330	I322-A326 WeakPolarHBondContact O-CB 3.3Å; I322-A326 PolarHBondContact O-N 2.91Å; V323-A326 PolarHBondContact O-N 3.42Å; V324-A326 VanDerWaalsContact C-N 3.32Å; V324-A326 PolarHBondContact O-N 3.34Å; A326-G329 PolarHBondContact O-N 3.29Å; A326-A330 WeakPolarHBondContact O-CB 3.37Å; A326-A330 PolarHBondContact O-N 3.2Å
327	V	91	Very high	87.5	Confident	88 Å²	88	91.2 Å²	91.2	53%	0.533	52%	0.522	S	S	.	.	H	α-helix	trans	-65.4	-47.8	177.6	173.2	0	0	0	0	110.8	V323 V324 G329 A330 V331	V323-V327 HydrophobicContact CG1-CG2 4.46Å; V323-V327 WeakPolarHBondContact O-CG2 3.47Å; V323-V327 PolarHBondContact O-N 3.41Å; V324-V327 PolarHBondContact O-N 3.32Å; V327-G329 VanDerWaalsContact C-N 3.32Å; V327-G329 PolarHBondContact O-N 2.9Å; V327-A330 PolarHBondContact O-N 2.94Å; V327-V331 VanDerWaalsContact O-CG2 3.32Å; V327-V331 WeakPolarHBondContact O-CG2 3.23Å; V327-V331 PolarHBondContact O-N 3.26Å
328	V	90.5	Very high	86.6	Confident	84 Å²	84	94 Å²	94	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-61.8	-43	176.8	174.4	0	0	0	0	110.5	V324 A330 V331 V332	V324-V328 HydrophobicContact CG1-CG2 4.3Å; V324-V328 WeakPolarHBondContact O-CB 3.33Å; V324-V328 VanDerWaalsContact O-CG2 3.3Å; V324-V328 WeakPolarHBondContact O-CG2 3.35Å; V324-V328 PolarHBondContact O-N 2.86Å; V328-A330 PolarHBondContact O-N 2.86Å; V328-V331 PolarHBondContact O-N 3.45Å; V328-V332 HydrophobicContact CG1-CG2 4.31Å; V328-V332 WeakPolarHBondContact O-CB 3.27Å; V328-V332 VanDerWaalsContact O-CG2 3.27Å; V328-V332 WeakPolarHBondContact O-CG2 3.44Å; V328-V332 PolarHBondContact O-N 3.45Å
329	G	89.1	Confident	85.3	Confident	39 Å²	39	99.4 Å²	99.4	40%	0.402	54%	0.537	S	S	.	.	H	α-helix	trans	-58.8	-45.2	175.1	0	0	0	0	0	112.6	C325 A326 V327 V332 F333	C325-G329 PolarHBondContact O-N 3.42Å; A326-G329 PolarHBondContact O-N 3.29Å; V327-G329 VanDerWaalsContact C-N 3.32Å; V327-G329 PolarHBondContact O-N 2.9Å; G329-V332 PolarHBondContact O-N 3.35Å; G329-F333 VanDerWaalsContact O-CB 3.23Å; G329-F333 WeakPolarHBondContact O-CB 3.42Å; G329-F333 PolarHBondContact O-N 3.48Å
330	A	87.7	Confident	83.8	Confident	51 Å²	51	98.8 Å²	98.8	42%	0.421	53%	0.534	S	S	.	.	H	α-helix	trans	-64.2	-43.5	177.4	0	0	0	0	0	112.1	A326 V327 V328 F333 Q334	A326-A330 WeakPolarHBondContact O-CB 3.37Å; A326-A330 PolarHBondContact O-N 3.2Å; V327-A330 PolarHBondContact O-N 2.94Å; V328-A330 PolarHBondContact O-N 2.86Å; A330-F333 PolarHBondContact O-N 2.86Å; A330-Q334 WeakPolarHBondContact O-CB 3.44Å; A330-Q334 WeakPolarHBondContact O-CG 3.32Å; A330-Q334 PolarHBondContact O-N 3.33Å
331	V	87.3	Confident	82.2	Confident	82 Å²	82	101.9 Å²	101.9	50%	0.497	54%	0.543	S	S	.	.	H	α-helix	trans	-63.5	-44.9	177.2	171.2	0	0	0	0	111.1	V327 V328 F333 K335	V327-V331 VanDerWaalsContact O-CG2 3.32Å; V327-V331 WeakPolarHBondContact O-CG2 3.23Å; V327-V331 PolarHBondContact O-N 3.26Å; V328-V331 PolarHBondContact O-N 3.45Å; V331-F333 VanDerWaalsContact C-N 3.34Å; V331-K335 VanDerWaalsContact O-CB 3.3Å; V331-K335 WeakPolarHBondContact O-CB 3.3Å; V331-K335 PolarHBondContact O-N 2.97Å
332	V	86.1	Confident	80.5	Confident	90 Å²	90	110.8 Å²	110.8	55%	0.545	57%	0.566	S	S	.	*	H	α-helix	trans	-65.3	-39.6	177.2	172	0	0	0	0	110.9	V328 G329 K335 R336	V328-V332 HydrophobicContact CG1-CG2 4.31Å; V328-V332 WeakPolarHBondContact O-CB 3.27Å; V328-V332 VanDerWaalsContact O-CG2 3.27Å; V328-V332 WeakPolarHBondContact O-CG2 3.44Å; V328-V332 PolarHBondContact O-N 3.45Å; G329-V332 PolarHBondContact O-N 3.35Å; V332-K335 PolarHBondContact O-N 3.11Å; V332-R336 WeakPolarHBondContact O-CB 3.37Å; V332-R336 PolarHBondContact O-N 3.29Å
333	F	82.8	Confident	78.8	Confident	126 Å²	126	113.8 Å²	113.8	55%	0.553	58%	0.575	S	S	*	*	H	α-helix	trans	-67.1	-44.6	178.2	-174.1	-97.3	0	0	0	112.3	G329 A330 V331 R336 Q337	G329-F333 VanDerWaalsContact O-CB 3.23Å; G329-F333 WeakPolarHBondContact O-CB 3.42Å; G329-F333 PolarHBondContact O-N 3.48Å; A330-F333 PolarHBondContact O-N 2.86Å; V331-F333 VanDerWaalsContact C-N 3.34Å; F333-R336 PolarHBondContact O-N 3.22Å; F333-Q337 HydrophobicContact CE1-CG 4.07Å; F333-Q337 HydrophobicContact CZ-CG 4.35Å; F333-Q337 PolarHBondContact O-N 3.34Å
334	Q	81.3	Confident	76.7	Confident	125 Å²	125	123.8 Å²	123.8	58%	0.584	61%	0.607	S	S	*	*	H	α-helix	trans	-59.3	-47.4	173.6	-78.9	-179.1	-22.8	0	0	111.1	A330 R336 Q337 E338	A330-Q334 WeakPolarHBondContact O-CB 3.44Å; A330-Q334 WeakPolarHBondContact O-CG 3.32Å; A330-Q334 PolarHBondContact O-N 3.33Å; Q334-R336 VanDerWaalsContact C-N 3.25Å; Q334-R336 PolarHBondContact O-N 3.47Å; Q334-Q337 PolarHBondContact O-N 3.32Å; Q334-Q337 VanDerWaalsContact O-N 3.11Å; Q334-E338 PolarHBondContact O-N 2.9Å
335	K	79.6	Confident	75.9	Confident	154 Å²	154	125.4 Å²	125.4	67%	0.67	61%	0.609	S	S	*	*	H	α-helix	trans	-62.6	-32.2	177.9	-162.7	167.7	-173.2	172.2	0	112.5	V331 V332 R339	V331-K335 VanDerWaalsContact O-CB 3.3Å; V331-K335 WeakPolarHBondContact O-CB 3.3Å; V331-K335 PolarHBondContact O-N 2.97Å; V332-K335 PolarHBondContact O-N 3.11Å; K335-R339 PolarHBondContact O-N 2.92Å
336	R	74.3	Confident	75.2	Confident	157 Å²	157	127.1 Å²	127.1	59%	0.592	61%	0.608	S	S	*	*	H	α-helix	trans	-73.4	-38.1	173.9	-168.2	173.4	-178	174	-0.1	112.2	V332 F333 Q334 R339 N340	V332-R336 WeakPolarHBondContact O-CB 3.37Å; V332-R336 PolarHBondContact O-N 3.29Å; F333-R336 PolarHBondContact O-N 3.22Å; Q334-R336 VanDerWaalsContact C-N 3.25Å; Q334-R336 PolarHBondContact O-N 3.47Å; R336-R339 PolarHBondContact O-N 2.97Å; R336-N340 PolarHBondContact O-N 3.05Å
337	Q	72.4	Confident	74.3	Confident	97 Å²	97	130.7 Å²	130.7	45%	0.453	61%	0.613	S	S	.	*	H	α-helix	trans	-64.3	-42.4	173.9	-89.7	-163.1	-21.5	0	0	112.3	F333 Q334 R339 N340 K341	F333-Q337 HydrophobicContact CE1-CG 4.07Å; F333-Q337 HydrophobicContact CZ-CG 4.35Å; F333-Q337 PolarHBondContact O-N 3.34Å; Q334-Q337 PolarHBondContact O-N 3.32Å; Q334-Q337 VanDerWaalsContact O-N 3.11Å; Q337-R339 PolarHBondContact O-N 3.34Å; Q337-N340 PolarHBondContact O-N 3.26Å; Q337-K341 WeakPolarHBondContact O-CG 3.5Å; Q337-K341 PolarHBondContact O-N 3.12Å; Q337-K341 VanDerWaalsContact O-N 3.12Å
338	E	70.6	Confident	73.3	Confident	139 Å²	139	133.2 Å²	133.2	65%	0.65	62%	0.618	S	S	*	*	H	α-helix	trans	-60	-36.9	175.4	-72.5	-179	169.9	0	0	112.1	Q334	Q334-E338 PolarHBondContact O-N 2.9Å
339	R	63.3	Low	72.2	Confident	167 Å²	167	136.3 Å²	136.3	63%	0.63	63%	0.625	S	S	*	*	H	α-helix	trans	-74.4	-32.3	179.4	-145.8	-179.3	59.8	177.5	-1.1	112.9	K335 R336 Q337	K335-R339 PolarHBondContact O-N 2.92Å; R336-R339 PolarHBondContact O-N 2.97Å; Q337-R339 PolarHBondContact O-N 3.34Å
340	N	59.9	Low	71.1	Confident	100 Å²	100	142.7 Å²	142.7	54%	0.535	64%	0.64	S	S	.	*	H	α-helix	trans	-77.7	-23	176.9	-79.1	7.7	0	0	0	113.3	R336 Q337 R342	R336-N340 PolarHBondContact O-N 3.05Å; Q337-N340 PolarHBondContact O-N 3.26Å; N340-R342 PolarHBondContact O-N 3.39Å
341	K	57.7	Low	69.9	Low	163 Å²	163	149.3 Å²	149.3	71%	0.709	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-2.3	173.8	-72.6	-177.8	-179.8	-179.5	0	114.4	Q337	Q337-K341 WeakPolarHBondContact O-CG 3.5Å; Q337-K341 PolarHBondContact O-N 3.12Å; Q337-K341 VanDerWaalsContact O-N 3.12Å
342	R	56.4	Low	68.5	Low	220 Å²	220	154.5 Å²	154.5	83%	0.83	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-0.3	175.7	-83.1	-174.1	176.6	179.9	-0.1	114.5	N340	N340-R342 PolarHBondContact O-N 3.39Å
343	F	57.3	Low	67.1	Low	183 Å²	183	159.8 Å²	159.8	80%	0.803	68%	0.678	S	S	*	*			trans	-122.7	21.8	-178	-79	-76.6	0	0	0	114.1
344	Y	49.5	Very low	65.7	Low	287 Å²	287	162.9 Å²	162.9	100%	1.125	69%	0.689	S	S	*	*			trans	-130.7	0	163.5	-87.3	-77.8	0	0	0	110.3

Retrieved 344 of 344 residues in 210.3 ms (Link to these results)

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