A0A087XVI1_POEFO Loading...

Nyctalopin

AlphaFold DB , UniProt , Accession A0A087XVI1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 471 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	R	52	Low	47	Very low	207 Å²	207	110 Å²	110	78%	0.781	61%	0.606	S	S	*	*				0	132.4	0	-67.3	169	-175	-175.1	0.4	105.7	E52	R1-E52 HydrophobicContact CB-CG 4.03Å; R1-E52 WeakPolarHBondContact CB-OE1 3.43Å
2	C	51.9	Low	46.8	Very low	51 Å²	51	107.8 Å²	107.8	35%	0.345	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.7	120.2	-169.5	-155.5	0	0	0	0	107.9	S4 C55	C2-S4 PolarHBondContact O-N 3.46Å; C2-C55 VanDerWaalsContact CA-SG 3.57Å; C2-C55 HydrophobicContact CB-CB 4.47Å; C2-C55 WeakPolarHBondContact CB-SG 3.41Å; C2-C55 WeakPolarHBondContact SG-CA 3.37Å; C2-C55 WeakPolarHBondContact SG-CB 3.48Å; C2-C55 CovalentContact SG-SG 2.01Å; C2-C55 PolarHBondContact SG-SG 3.23Å
3	L	52.6	Low	47.2	Very low	68 Å²	68	113.2 Å²	113.2	36%	0.356	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.6	98.6	-179.5	-111.8	151.1	0	0	0	109	A24 E52	L3-A24 HydrophobicContact CB-CB 3.85Å; L3-A24 HydrophobicContact CD1-CB 4.35Å; L3-E52 HydrophobicContact CD1-CB 4.19Å; L3-E52 WeakPolarHBondContact CD1-OE2 3.39Å; L3-E52 WeakPolarHBondContact CG-OE2 3.23Å
4	S	50.1	Low	47.2	Very low	77 Å²	77	111.4 Å²	111.4	54%	0.538	62%	0.618	S	S	.	*			trans	-85.6	116.5	162.6	175.9	0	0	0	0	108	C2 S6	C2-S4 PolarHBondContact O-N 3.46Å; S4-S6 PolarHBondContact O-N 3.14Å; S4-S6 PolarHBondContact OG-OG 3.47Å
5	V	49.9	Very low	46.9	Very low	49 Å²	49	107.1 Å²	107.1	30%	0.297	60%	0.602	S	S	.	*			trans	-77.2	79.5	172.2	-175	0	0	0	0	108.3	V7	V5-V7 VanDerWaalsContact C-N 3.34Å; V5-V7 HydrophobicContact CG1-CG2 3.92Å; V5-V7 PolarHBondContact O-N 3.21Å
6	S	47.3	Very low	47	Very low	101 Å²	101	104.3 Å²	104.3	71%	0.706	59%	0.585	S	S	*	*			trans	-88.2	73.3	168.3	-62.8	0	0	0	0	109.3	S4	S4-S6 PolarHBondContact O-N 3.14Å; S4-S6 PolarHBondContact OG-OG 3.47Å
7	V	42.7	Very low	47.1	Very low	94 Å²	94	101.1 Å²	101.1	57%	0.57	58%	0.575	S	S	*	*			trans	-95.8	121.1	168.2	176.8	0	0	0	0	108	V5 C9	V5-V7 VanDerWaalsContact C-N 3.34Å; V5-V7 HydrophobicContact CG1-CG2 3.92Å; V5-V7 PolarHBondContact O-N 3.21Å; V7-C9 PolarHBondContact O-N 3.34Å
8	L	43	Very low	47.2	Very low	174 Å²	174	105.2 Å²	105.2	91%	0.911	58%	0.58	S	S	*	*			trans	-48.3	97.6	165.9	-85.7	93.2	0	0	0	109.6
9	C	41.1	Very low	47.9	Very low	80 Å²	80	107.9 Å²	107.9	54%	0.541	58%	0.58	S	S	.	*			trans	-147.9	120.2	165.3	-91.9	0	0	0	0	107.8	V7 L11	V7-C9 PolarHBondContact O-N 3.34Å; C9-L11 PolarHBondContact O-N 3.41Å
10	L	44.6	Very low	48.7	Very low	190 Å²	190	103 Å²	103	100%	0.995	56%	0.556	S	S	*	*			trans	-65	69.7	175.4	-73.9	149.4	0	0	0	110.8
11	L	41.8	Very low	50	Low	119 Å²	119	98.4 Å²	98.4	62%	0.623	53%	0.531	S	S	*	.	S	Bend	trans	-131.3	147	171.1	-76.4	172.2	0	0	0	109.8	C9 Q13	C9-L11 PolarHBondContact O-N 3.41Å; L11-Q13 PolarHBondContact O-N 3.03Å
12	P	44.4	Very low	51.1	Low	83 Å²	83	91.4 Å²	91.4	54%	0.539	51%	0.511	S	S	.	.			trans	-59.8	132.5	-171.1	22.1	-31.2	0	0	0	111.3	S14 A15	P12-S14 PolarHBondContact O-N 3.2Å; P12-A15 PolarHBondContact O-N 3.43Å
13	Q	51.7	Low	52.4	Low	179 Å²	179	96.2 Å²	96.2	84%	0.836	52%	0.522	S	S	*	.	H	α-helix	trans	-53	-21.1	-174.3	-73.3	175.3	-23.2	0	0	114.4	L11	L11-Q13 PolarHBondContact O-N 3.03Å
14	S	47.3	Very low	54	Low	88 Å²	88	93.4 Å²	93.4	62%	0.615	51%	0.509	S	S	*	.	H	α-helix	trans	-72.2	-25.6	176.3	54.4	0	0	0	0	114	P12	P12-S14 PolarHBondContact O-N 3.2Å
15	A	42.7	Very low	55.9	Low	46 Å²	46	91.2 Å²	91.2	38%	0.38	49%	0.493	S	S	.	.	H	α-helix	trans	-88.1	-31.7	179.1	0	0	0	0	0	112.7	P12	P12-A15 PolarHBondContact O-N 3.43Å
16	L	48.3	Very low	57.9	Low	63 Å²	63	89.2 Å²	89.2	33%	0.33	48%	0.481	S	S	.	.	H	α-helix	trans	-71.7	-34.6	-178.5	-79.7	155.7	0	0	0	113.4	R18 W19 A20	L16-R18 PolarHBondContact O-N 3.12Å; L16-W19 PolarHBondContact O-N 2.99Å; L16-A20 PolarHBondContact O-N 3.45Å
17	A	49.1	Very low	60	Low	50 Å²	50	90.9 Å²	90.9	41%	0.413	49%	0.49	S	S	.	.	H	α-helix	trans	-62.8	-28.4	177.9	0	0	0	0	0	113.2	W19	A17-W19 PolarHBondContact O-N 3.44Å
18	R	49.8	Very low	62.4	Low	175 Å²	175	89.7 Å²	89.7	66%	0.66	49%	0.485	S	S	*	.	H	α-helix	trans	-66.3	-14.5	178.1	-82.7	-179.4	161.6	170.9	-4.5	113.8	L16	L16-R18 PolarHBondContact O-N 3.12Å
19	W	59.7	Low	64.8	Low	156 Å²	156	82.4 Å²	82.4	59%	0.591	45%	0.448	S	S	*	.	H	α-helix	trans	-120.6	-14.7	-170.7	-58.1	67.9	0	0	0	113.5	L16 A17 C21 R23	L16-W19 PolarHBondContact O-N 2.99Å; A17-W19 PolarHBondContact O-N 3.44Å; W19-C21 PolarHBondContact O-N 3.11Å; W19-R23 VanDerWaalsContact O-CB 3.31Å; W19-R23 WeakPolarHBondContact O-CB 3.48Å; W19-R23 WeakPolarHBondContact O-CG 3.39Å; W19-R23 PolarHBondContact O-N 3.46Å
20	A	64.9	Low	67.4	Low	10 Å²	10	82.3 Å²	82.3	8%	0.083	45%	0.449	C	S	.	.	H	α-helix	trans	-62.6	-44.9	-177.4	0	0	0	0	0	111.8	L16 R23 A24	L16-A20 PolarHBondContact O-N 3.45Å; A20-R23 PolarHBondContact O-N 3.15Å; A20-A24 WeakPolarHBondContact O-CB 3.46Å; A20-A24 PolarHBondContact O-N 2.96Å
21	C	75.4	Confident	69.7	Low	6 Å²	6	74 Å²	74	4%	0.041	41%	0.407	C	S	.	.	H	α-helix	trans	-66.6	-41.1	-179.1	-172.6	0	0	0	0	113.6	W19 R23 C25 C37 P54	W19-C21 PolarHBondContact O-N 3.11Å; C21-R23 VanDerWaalsContact C-N 3.35Å; C21-C25 PolarHBondContact O-N 3.49Å; C21-C25 VanDerWaalsContact O-N 3.07Å; C21-C37 HydrophobicContact CB-CB 3.62Å; C21-C37 WeakPolarHBondContact CB-SG 3.42Å; C21-C37 WeakPolarHBondContact SG-CB 3.45Å; C21-C37 CovalentContact SG-SG 2.01Å; C21-C37 PolarHBondContact SG-SG 3.19Å; C21-P54 HydrophobicContact CB-CB 4.17Å; C21-P54 HydrophobicContact CB-CG 4.49Å; C21-P54 WeakPolarHBondContact O-CG 3.48Å
22	V	75.8	Confident	72	Confident	60 Å²	60	70.2 Å²	70.2	36%	0.364	39%	0.389	S	S	.	.	H	α-helix	trans	-65.9	-39.5	175.6	-176.5	0	0	0	0	110.9	C25 Q33	V22-C25 VanDerWaalsContact O-CB 3.28Å; V22-C25 WeakPolarHBondContact O-CB 3.31Å; V22-C25 PolarHBondContact O-N 3.22Å; V22-Q33 HydrophobicContact CG2-CG 3.79Å
23	R	78.9	Confident	73.8	Confident	153 Å²	153	73.6 Å²	73.6	58%	0.577	40%	0.397	S	S	*	.	H	α-helix	trans	-69.3	-34.5	-179.9	-75.8	176	-175.2	-167.8	2.8	113.4	W19 A20 C21 C25	W19-R23 VanDerWaalsContact O-CB 3.31Å; W19-R23 WeakPolarHBondContact O-CB 3.48Å; W19-R23 WeakPolarHBondContact O-CG 3.39Å; W19-R23 PolarHBondContact O-N 3.46Å; A20-R23 PolarHBondContact O-N 3.15Å; C21-R23 VanDerWaalsContact C-N 3.35Å; R23-C25 VanDerWaalsContact C-N 3.34Å
24	A	84.7	Confident	75	Confident	9 Å²	9	71 Å²	71	7%	0.074	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	11.2	177.4	0	0	0	0	0	112.8	L3 A20 P54	L3-A24 HydrophobicContact CB-CB 3.85Å; L3-A24 HydrophobicContact CD1-CB 4.35Å; A20-A24 WeakPolarHBondContact O-CB 3.46Å; A20-A24 PolarHBondContact O-N 2.96Å; A24-P54 HydrophobicContact CB-CB 4.3Å; A24-P54 HydrophobicContact CB-CG 4.1Å
25	C	90.3	Very high	76	Confident	30 Å²	30	75.1 Å²	75.1	20%	0.203	39%	0.392	C	S	.	.			trans	-67.8	132.6	-179.1	-163.9	0	0	0	0	110.6	C21 V22 R23 C31	C21-C25 PolarHBondContact O-N 3.49Å; C21-C25 VanDerWaalsContact O-N 3.07Å; V22-C25 VanDerWaalsContact O-CB 3.28Å; V22-C25 WeakPolarHBondContact O-CB 3.31Å; V22-C25 PolarHBondContact O-N 3.22Å; R23-C25 VanDerWaalsContact C-N 3.34Å; C25-C31 VanDerWaalsContact CA-SG 3.51Å; C25-C31 HydrophobicContact CB-CB 3.73Å; C25-C31 WeakPolarHBondContact CB-SG 3.2Å; C25-C31 WeakPolarHBondContact SG-CB 3.32Å; C25-C31 PolarHBondContact SG-N 3.34Å; C25-C31 VanDerWaalsContact SG-N 3.37Å; C25-C31 CovalentContact SG-SG 2.03Å; C25-C31 PolarHBondContact SG-SG 3.36Å
26	P	93.4	Very high	77.6	Confident	7 Å²	7	75.9 Å²	75.9	5%	0.045	39%	0.394	C	S	.	.			trans	-59.6	142.2	174.2	-22.5	32.3	0	0	0	111.5	S28 C29 V39 P50 F53	P26-S28 PolarHBondContact O-N 3Å; P26-C29 HydrophobicContact CB-CB 4.07Å; P26-C29 HydrophobicContact CG-CB 4.36Å; P26-C29 PolarHBondContact O-N 3.03Å; P26-V39 HydrophobicContact CG-CG1 4.33Å; P26-P50 HydrophobicContact CB-CB 3.83Å; P26-P50 HydrophobicContact CB-CG 3.96Å; P26-P50 HydrophobicContact CG-CB 3.89Å; P26-P50 HydrophobicContact CG-CG 4.13Å; P26-F53 HydrophobicContact CG-CD1 4.12Å; P26-F53 HydrophobicContact CG-CE1 4.32Å
27	P	90.6	Very high	79.5	Confident	137 Å²	137	73 Å²	73	89%	0.89	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-26	-172.7	25	-34.8	0	0	0	113.9	C29	P27-C29 VanDerWaalsContact C-N 3.29Å
28	S	92.6	Very high	81.7	Confident	69 Å²	69	72.2 Å²	72.2	48%	0.483	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	5.9	177.1	-54.2	0	0	0	0	113.3	P26 A44	P26-S28 PolarHBondContact O-N 3Å; S28-A44 WeakPolarHBondContact O-CB 3Å
29	C	94.7	Very high	83.9	Confident	20 Å²	20	63.9 Å²	63.9	14%	0.135	34%	0.34	C	S	.	.	S	Bend	trans	-127.6	160.8	-173.1	-52.8	0	0	0	0	111.3	P26 P27 V39 L40 C41	P26-C29 HydrophobicContact CB-CB 4.07Å; P26-C29 HydrophobicContact CG-CB 4.36Å; P26-C29 PolarHBondContact O-N 3.03Å; P27-C29 VanDerWaalsContact C-N 3.29Å; C29-V39 HydrophobicContact CB-CG1 4.1Å; C29-L40 CarbonylContact C-O 3.39Å; C29-L40 VanDerWaalsContact CA-O 3.3Å; C29-L40 WeakPolarHBondContact CA-O 2.97Å; C29-L40 WeakPolarHBondContact CB-O 3.43Å; C29-C41 HydrophobicContact CB-CB 4.02Å; C29-C41 WeakPolarHBondContact CB-SG 3.49Å; C29-C41 WeakPolarHBondContact SG-CB 3.49Å; C29-C41 CovalentContact SG-SG 2.02Å; C29-C41 PolarHBondContact SG-SG 3.02Å
30	S	94.4	Very high	85.6	Confident	78 Å²	78	59.7 Å²	59.7	55%	0.545	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.8	171.8	-176.6	0	0	0	0	109.8	L40	S30-L40 PolarHBondContact N-O 3.49Å; S30-L40 WeakPolarHBondContact O-CA 3.09Å; S30-L40 WeakPolarHBondContact O-CB 3.39Å; S30-L40 PolarHBondContact O-N 3.5Å
31	C	93.5	Very high	87.1	Confident	17 Å²	17	59.3 Å²	59.3	12%	0.115	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.9	-179.9	-61.5	0	0	0	0	111.2	C25 S38	C25-C31 VanDerWaalsContact CA-SG 3.51Å; C25-C31 HydrophobicContact CB-CB 3.73Å; C25-C31 WeakPolarHBondContact CB-SG 3.2Å; C25-C31 WeakPolarHBondContact SG-CB 3.32Å; C25-C31 PolarHBondContact SG-N 3.34Å; C25-C31 VanDerWaalsContact SG-N 3.37Å; C25-C31 CovalentContact SG-SG 2.03Å; C25-C31 PolarHBondContact SG-SG 3.36Å; C31-S38 WeakPolarHBondContact CA-O 3.34Å
32	T	90.4	Very high	88.1	Confident	39 Å²	39	62.2 Å²	62.2	24%	0.239	34%	0.34	C	S	.	.			trans	-73.3	148.7	179.2	65.8	0	0	0	0	112	E34 C37 S38	T32-E34 PolarHBondContact O-N 3.1Å; T32-C37 VanDerWaalsContact O-CB 3.31Å; T32-C37 WeakPolarHBondContact O-CB 3.25Å; T32-C37 WeakPolarHBondContact OG1-CA 3.46Å; T32-S38 PolarHBondContact N-O 3Å; T32-S38 PolarHBondContact OG1-N 3.01Å
33	Q	81.3	Confident	89.1	Confident	154 Å²	154	67.6 Å²	67.6	72%	0.72	35%	0.354	S	S	*	.	S	Bend	trans	-90.3	46.2	-177.5	-58.2	-168.9	-6.7	0	0	112.5	V22	V22-Q33 HydrophobicContact CG2-CG 3.79Å
34	E	77.1	Confident	89.9	Confident	123 Å²	123	62.2 Å²	62.2	58%	0.575	34%	0.342	S	S	*	.	S	Bend	trans	-117.8	160.4	-176.6	-66.2	179.2	-169.8	0	0	111.5	T32 S36 C37	T32-E34 PolarHBondContact O-N 3.1Å; E34-S36 PolarHBondContact O-N 3.39Å; E34-C37 PolarHBondContact O-N 3.14Å
35	K	68	Low	90.5	Very high	175 Å²	175	63.8 Å²	63.8	76%	0.761	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.1	177.2	-77.2	-173.5	177.3	-179.2	0	112.6
36	S	76.6	Confident	90.8	Very high	63 Å²	63	63.2 Å²	63.2	44%	0.441	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	69	173.3	47.5	0	0	0	0	108.4	E34	E34-S36 PolarHBondContact O-N 3.39Å
37	C	88.6	Confident	90.9	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.007	38%	0.378	C	S	.	.			trans	-66.7	148.5	-170.2	71.4	0	0	0	0	112.2	C21 T32 E34 A57 S58	C21-C37 HydrophobicContact CB-CB 3.62Å; C21-C37 WeakPolarHBondContact CB-SG 3.42Å; C21-C37 WeakPolarHBondContact SG-CB 3.45Å; C21-C37 CovalentContact SG-SG 2.01Å; C21-C37 PolarHBondContact SG-SG 3.19Å; T32-C37 VanDerWaalsContact O-CB 3.31Å; T32-C37 WeakPolarHBondContact O-CB 3.25Å; T32-C37 WeakPolarHBondContact OG1-CA 3.46Å; E34-C37 PolarHBondContact O-N 3.14Å; C37-A57 WeakPolarHBondContact O-CA 3.05Å; C37-S58 PolarHBondContact O-N 3.47Å
38	S	94.3	Very high	91.1	Very high	35 Å²	35	67.3 Å²	67.3	25%	0.245	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.9	174.1	-62.8	0	0	0	0	108.6	C31 T32 A59	C31-S38 WeakPolarHBondContact CA-O 3.34Å; T32-S38 PolarHBondContact N-O 3Å; T32-S38 PolarHBondContact OG1-N 3.01Å; S38-A59 WeakPolarHBondContact CA-O 3.14Å
39	V	95.8	Very high	91.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	111.9	174.7	-174.6	0	0	0	0	108	P26 C29 F53 P54 A57 A59 I60 N61	P26-V39 HydrophobicContact CG-CG1 4.33Å; C29-V39 HydrophobicContact CB-CG1 4.1Å; V39-F53 HydrophobicContact CG1-CD1 4.29Å; V39-P54 HydrophobicContact CG2-CG 4.19Å; V39-A57 HydrophobicContact CG2-CB 3.87Å; V39-A59 PolarHBondContact N-O 3.23Å; V39-I60 HydrophobicContact CB-CG1 4.06Å; V39-I60 HydrophobicContact CG2-CG1 4.19Å; V39-I60 WeakPolarHBondContact O-CA 3.26Å; V39-N61 PolarHBondContact O-N 3.02Å
40	L	96.7	Very high	91.2	Very high	68 Å²	68	66 Å²	66	36%	0.356	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	104.6	-177	-53.5	177.4	0	0	0	109.2	C29 S30 N61	C29-L40 CarbonylContact C-O 3.39Å; C29-L40 VanDerWaalsContact CA-O 3.3Å; C29-L40 WeakPolarHBondContact CA-O 2.97Å; C29-L40 WeakPolarHBondContact CB-O 3.43Å; S30-L40 PolarHBondContact N-O 3.49Å; S30-L40 WeakPolarHBondContact O-CA 3.09Å; S30-L40 WeakPolarHBondContact O-CB 3.39Å; S30-L40 PolarHBondContact O-N 3.5Å; L40-N61 HydrophobicContact CD2-CB 4.18Å
41	C	96.4	Very high	90.8	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.007	38%	0.376	C	S	.	.			trans	-117.4	20.6	178.2	-56.7	0	0	0	0	111.2	C29 A44 L46 N61 L62 N65	C29-C41 HydrophobicContact CB-CB 4.02Å; C29-C41 WeakPolarHBondContact CB-SG 3.49Å; C29-C41 WeakPolarHBondContact SG-CB 3.49Å; C29-C41 CovalentContact SG-SG 2.02Å; C29-C41 PolarHBondContact SG-SG 3.02Å; C41-A44 WeakPolarHBondContact O-CB 3.31Å; C41-L46 HydrophobicContact CB-CD1 3.93Å; C41-N61 CarbonylContact C-O 3.15Å; C41-N61 WeakPolarHBondContact CA-O 2.96Å; C41-N61 VanDerWaalsContact CB-O 3.29Å; C41-N61 WeakPolarHBondContact CB-O 3.13Å; C41-N61 PolarHBondContact N-O 3.02Å; C41-L62 HydrophobicContact CB-CD2 3.57Å; C41-L62 HydrophobicContact CB-CG 4.32Å; C41-N65 PolarHBondContact O-ND2 2.81Å
42	D	96.7	Very high	90.5	Very high	68 Å²	68	75.8 Å²	75.8	36%	0.364	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	140.2	-176.2	62.2	-70.5	0	0	0	111.3	A44 E63	D42-A44 PolarHBondContact O-N 3.23Å; D42-E63 VanDerWaalsContact CA-O 3.24Å; D42-E63 WeakPolarHBondContact CA-O 3.43Å; D42-E63 HydrophobicContact CB-CB 4.4Å
43	R	96.6	Very high	90.6	Very high	172 Å²	172	74.1 Å²	74.1	65%	0.649	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	20.5	178.7	-53.7	174.2	-172.7	-109	8.2	115	G45 E63 K64	R43-G45 PolarHBondContact O-N 3.2Å; R43-E63 PolarHBondContact N-O 2.95Å; R43-K64 WeakPolarHBondContact CA-O 3.09Å; R43-K64 HydrophobicContact CG-CB 3.65Å; R43-K64 HydrophobicContact CG-CD 4.03Å; R43-K64 HydrophobicContact CG-CG 4.48Å; R43-K64 VanDerWaalsContact CZ-CD 3.41Å
44	A	96.1	Very high	91.1	Very high	41 Å²	41	66.8 Å²	66.8	34%	0.339	34%	0.34	S	S	.	.	S	Bend	trans	-75.8	-4.6	-179.6	0	0	0	0	0	113.8	S28 C41 D42 L46 N65	S28-A44 WeakPolarHBondContact O-CB 3Å; C41-A44 WeakPolarHBondContact O-CB 3.31Å; D42-A44 PolarHBondContact O-N 3.23Å; A44-L46 VanDerWaalsContact C-N 3.33Å; A44-L46 HydrophobicContact CB-CD1 4.26Å; A44-L46 HydrophobicContact CB-CD2 4.46Å; A44-L46 HydrophobicContact CB-CG 3.92Å; A44-N65 PolarHBondContact N-OD1 2.8Å
45	G	96.2	Very high	91.6	Very high	41 Å²	41	61.8 Å²	61.8	42%	0.423	32%	0.318	S	S	.	.			trans	74.1	22.5	179.9	0	0	0	0	0	113.7	R43 A47 N65	R43-G45 PolarHBondContact O-N 3.2Å; G45-A47 PolarHBondContact O-N 3.45Å; G45-N65 PolarHBondContact N-OD1 3.39Å
46	L	96.4	Very high	92.6	Very high	18 Å²	18	56.3 Å²	56.3	9%	0.094	30%	0.295	C	S	.	.			trans	-66.4	120.5	-176.2	-61.7	172.3	0	0	0	111.1	C41 A44 P50 L62 N65 R66 L67	C41-L46 HydrophobicContact CB-CD1 3.93Å; A44-L46 VanDerWaalsContact C-N 3.33Å; A44-L46 HydrophobicContact CB-CD1 4.26Å; A44-L46 HydrophobicContact CB-CD2 4.46Å; A44-L46 HydrophobicContact CB-CG 3.92Å; L46-P50 HydrophobicContact CD1-CG 4.43Å; L46-L62 HydrophobicContact CD1-CD2 3.67Å; L46-N65 HydrophobicContact CB-CB 4.1Å; L46-N65 WeakPolarHBondContact CB-OD1 3.46Å; L46-N65 PolarHBondContact N-OD1 3.33Å; L46-R66 CarbonylContact O-C 3.41Å; L46-R66 VanDerWaalsContact O-C 3.27Å; L46-R66 WeakPolarHBondContact O-CA 3.14Å; L46-R66 PolarHBondContact O-N 2.81Å; L46-L67 HydrophobicContact CB-CD2 4.27Å; L46-L67 PolarHBondContact O-N 2.82Å
47	A	95.8	Very high	93.3	Very high	68 Å²	68	53.3 Å²	53.3	56%	0.562	28%	0.275	S	S	*	.	S	Bend	trans	-87.9	-24	170.2	0	0	0	0	0	112.4	G45	G45-A47 PolarHBondContact O-N 3.45Å
48	E	95.3	Very high	93.7	Very high	162 Å²	162	54.3 Å²	54.3	76%	0.757	28%	0.282	S	S	*	.	S	Bend	trans	-134.9	157.5	179.4	-63.8	-177	177.7	0	0	109.9
49	L	95.6	Very high	93.8	Very high	36 Å²	36	53.8 Å²	53.8	19%	0.188	28%	0.279	C	S	.	.			trans	-68.4	144	176.2	-71.9	172.3	0	0	0	111.2	L62 L67 L70 A74 F75	L49-L62 HydrophobicContact CD2-CD1 3.64Å; L49-L62 HydrophobicContact CD2-CD2 4.45Å; L49-L67 HydrophobicContact CD2-CD1 3.71Å; L49-L67 HydrophobicContact CD2-CD2 4.23Å; L49-L67 HydrophobicContact CG-CD1 4.47Å; L49-L67 HydrophobicContact CG-CD2 4.31Å; L49-L70 HydrophobicContact CD1-CD2 3.89Å; L49-L70 HydrophobicContact CG-CD2 4.5Å; L49-A74 HydrophobicContact CD1-CB 3.7Å; L49-F75 HydrophobicContact CD1-CD1 4.47Å; L49-F75 HydrophobicContact CD1-CE1 3.99Å; L49-F75 HydrophobicContact CD1-CE2 4.45Å; L49-F75 HydrophobicContact CD1-CZ 3.96Å; L49-F75 HydrophobicContact CD2-CE1 3.78Å; L49-F75 HydrophobicContact CD2-CZ 4.14Å
50	P	92.6	Very high	93.9	Very high	25 Å²	25	53.9 Å²	53.9	16%	0.162	28%	0.28	C	S	.	.			trans	-51.5	143.3	165.2	-26.9	34.7	0	0	0	112.3	P26 L46 E52 F53	P26-P50 HydrophobicContact CB-CB 3.83Å; P26-P50 HydrophobicContact CB-CG 3.96Å; P26-P50 HydrophobicContact CG-CB 3.89Å; P26-P50 HydrophobicContact CG-CG 4.13Å; L46-P50 HydrophobicContact CD1-CG 4.43Å; P50-E52 PolarHBondContact O-N 3.24Å; P50-F53 HydrophobicContact CB-CE1 4.28Å; P50-F53 HydrophobicContact CB-CE2 4.49Å; P50-F53 HydrophobicContact CB-CZ 4.09Å; P50-F53 HydrophobicContact CG-CE1 4.04Å; P50-F53 HydrophobicContact CG-CZ 3.91Å
51	R	87.1	Confident	94	Very high	238 Å²	238	52.5 Å²	52.5	90%	0.898	27%	0.273	S	S	*	.	S	Bend	trans	-60.6	-36.2	-177.5	-67.7	-176.9	177.8	-177.2	-0.1	112.7
52	E	87.3	Confident	94	Very high	63 Å²	63	52.5 Å²	52.5	29%	0.294	27%	0.273	S	S	.	.			trans	-143.7	147.9	-172.4	-56.6	-167.8	150.6	0	0	110.2	R1 L3 P50	R1-E52 HydrophobicContact CB-CG 4.03Å; R1-E52 WeakPolarHBondContact CB-OE1 3.43Å; L3-E52 HydrophobicContact CD1-CB 4.19Å; L3-E52 WeakPolarHBondContact CD1-OE2 3.39Å; L3-E52 WeakPolarHBondContact CG-OE2 3.23Å; P50-E52 PolarHBondContact O-N 3.24Å
53	F	92.1	Very high	94.1	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	153.4	174.2	-67.2	-83.4	0	0	0	109.1	P26 V39 P50 I60 L62 F75 L78	P26-F53 HydrophobicContact CG-CD1 4.12Å; P26-F53 HydrophobicContact CG-CE1 4.32Å; V39-F53 HydrophobicContact CG1-CD1 4.29Å; P50-F53 HydrophobicContact CB-CE1 4.28Å; P50-F53 HydrophobicContact CB-CE2 4.49Å; P50-F53 HydrophobicContact CB-CZ 4.09Å; P50-F53 HydrophobicContact CG-CE1 4.04Å; P50-F53 HydrophobicContact CG-CZ 3.91Å; F53-I60 HydrophobicContact CB-CD1 4.17Å; F53-I60 HydrophobicContact CD1-CD1 3.75Å; F53-I60 HydrophobicContact CD1-CG1 4.32Å; F53-I60 HydrophobicContact CD1-CG2 4.46Å; F53-I60 HydrophobicContact CD2-CD1 4.4Å; F53-I60 HydrophobicContact CE1-CD1 4.18Å; F53-I60 HydrophobicContact CE1-CG2 3.96Å; F53-I60 HydrophobicContact CG-CD1 3.87Å; F53-I60 HydrophobicContact CZ-CG2 4.48Å; F53-L62 HydrophobicContact CZ-CD1 4.26Å; F53-F75 HydrophobicContact CE2-CD1 4Å; F53-F75 HydrophobicContact CZ-CD1 4.48Å; F53-L78 HydrophobicContact CB-CD1 4.28Å; F53-L78 HydrophobicContact CB-CD2 4.05Å
54	P	91.1	Very high	94.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	140.1	173.6	-24	33.6	0	0	0	113.5	C21 A24 V39 E56 A57	C21-P54 HydrophobicContact CB-CB 4.17Å; C21-P54 HydrophobicContact CB-CG 4.49Å; C21-P54 WeakPolarHBondContact O-CG 3.48Å; A24-P54 HydrophobicContact CB-CB 4.3Å; A24-P54 HydrophobicContact CB-CG 4.1Å; V39-P54 HydrophobicContact CG2-CG 4.19Å; P54-E56 VanDerWaalsContact C-N 3.32Å; P54-E56 PolarHBondContact O-N 3.37Å; P54-A57 HydrophobicContact CB-CB 4.33Å; P54-A57 VanDerWaalsContact O-CB 3.24Å; P54-A57 WeakPolarHBondContact O-CB 3.48Å; P54-A57 PolarHBondContact O-N 3.11Å
55	C	87.9	Confident	94.2	Very high	18 Å²	18	45.2 Å²	45.2	12%	0.122	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-28.8	-178.9	-64.2	0	0	0	0	114.2	C2 A57 S80	C2-C55 VanDerWaalsContact CA-SG 3.57Å; C2-C55 HydrophobicContact CB-CB 4.47Å; C2-C55 WeakPolarHBondContact CB-SG 3.41Å; C2-C55 WeakPolarHBondContact SG-CA 3.37Å; C2-C55 WeakPolarHBondContact SG-CB 3.48Å; C2-C55 CovalentContact SG-SG 2.01Å; C2-C55 PolarHBondContact SG-SG 3.23Å; C55-A57 VanDerWaalsContact C-N 3.28Å; C55-S80 WeakPolarHBondContact O-CB 3.45Å; C55-S80 PolarHBondContact O-OG 3.33Å
56	E	88.8	Confident	94.3	Very high	60 Å²	60	51.6 Å²	51.6	28%	0.28	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-4.1	179.3	-56.5	80.9	-178.5	0	0	112.4	P54 S58	P54-E56 VanDerWaalsContact C-N 3.32Å; P54-E56 PolarHBondContact O-N 3.37Å; E56-S58 PolarHBondContact O-N 3.19Å; E56-S58 VanDerWaalsContact O-N 3.12Å
57	A	92.9	Very high	94.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.243	C	C	.	.			trans	-57.3	118.5	179.2	0	0	0	0	0	110.4	C37 V39 P54 C55 I60 S80 L81	C37-A57 WeakPolarHBondContact O-CA 3.05Å; V39-A57 HydrophobicContact CG2-CB 3.87Å; P54-A57 HydrophobicContact CB-CB 4.33Å; P54-A57 VanDerWaalsContact O-CB 3.24Å; P54-A57 WeakPolarHBondContact O-CB 3.48Å; P54-A57 PolarHBondContact O-N 3.11Å; C55-A57 VanDerWaalsContact C-N 3.28Å; A57-I60 HydrophobicContact CB-CG1 4.38Å; A57-S80 CarbonylContact O-C 3.43Å; A57-L81 VanDerWaalsContact O-CA 3.29Å; A57-L81 WeakPolarHBondContact O-CA 3.36Å; A57-L81 PolarHBondContact O-N 2.83Å
58	S	95.6	Very high	94.4	Very high	22 Å²	22	52.4 Å²	52.4	15%	0.154	24%	0.238	C	C	.	.	S	Bend	trans	-91.9	-24.6	175.6	-174.1	0	0	0	0	111.6	C37 E56 K82 S83	C37-S58 PolarHBondContact O-N 3.47Å; E56-S58 PolarHBondContact O-N 3.19Å; E56-S58 VanDerWaalsContact O-N 3.12Å; S58-K82 PolarHBondContact O-N 3.16Å; S58-S83 PolarHBondContact O-N 2.95Å
59	A	97.3	Very high	94.4	Very high	24 Å²	24	51.4 Å²	51.4	20%	0.198	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	142.9	176.1	0	0	0	0	0	111.2	S38 V39 S83	S38-A59 WeakPolarHBondContact CA-O 3.14Å; V39-A59 PolarHBondContact N-O 3.23Å; A59-S83 VanDerWaalsContact CA-O 3.29Å; A59-S83 WeakPolarHBondContact CA-O 3.17Å
60	I	97.6	Very high	94.5	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	122	171.7	-66.1	169	0	0	0	108	V39 F53 A57 L62 L78 L81 S83 L84 S85	V39-I60 HydrophobicContact CB-CG1 4.06Å; V39-I60 HydrophobicContact CG2-CG1 4.19Å; V39-I60 WeakPolarHBondContact O-CA 3.26Å; F53-I60 HydrophobicContact CB-CD1 4.17Å; F53-I60 HydrophobicContact CD1-CD1 3.75Å; F53-I60 HydrophobicContact CD1-CG1 4.32Å; F53-I60 HydrophobicContact CD1-CG2 4.46Å; F53-I60 HydrophobicContact CD2-CD1 4.4Å; F53-I60 HydrophobicContact CE1-CD1 4.18Å; F53-I60 HydrophobicContact CE1-CG2 3.96Å; F53-I60 HydrophobicContact CG-CD1 3.87Å; F53-I60 HydrophobicContact CZ-CG2 4.48Å; A57-I60 HydrophobicContact CB-CG1 4.38Å; I60-L62 HydrophobicContact CG2-CD1 3.72Å; I60-L62 HydrophobicContact CG2-CG 3.84Å; I60-L78 HydrophobicContact CD1-CD1 3.54Å; I60-L81 HydrophobicContact CB-CD1 4.2Å; I60-L81 HydrophobicContact CD1-CD1 3.77Å; I60-L81 HydrophobicContact CD1-CD2 4.12Å; I60-L81 HydrophobicContact CG1-CD1 3.65Å; I60-S83 PolarHBondContact N-O 3.24Å; I60-L84 HydrophobicContact CB-CD1 3.9Å; I60-L84 HydrophobicContact CG2-CD1 3.91Å; I60-L84 WeakPolarHBondContact O-CA 3.37Å; I60-S85 PolarHBondContact O-N 2.79Å
61	N	98	Very high	94.6	Very high	39 Å²	39	52 Å²	52	21%	0.209	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.2	173.8	-174.8	0.3	0	0	0	109.8	V39 L40 C41 E63	V39-N61 PolarHBondContact O-N 3.02Å; L40-N61 HydrophobicContact CD2-CB 4.18Å; C41-N61 CarbonylContact C-O 3.15Å; C41-N61 WeakPolarHBondContact CA-O 2.96Å; C41-N61 VanDerWaalsContact CB-O 3.29Å; C41-N61 WeakPolarHBondContact CB-O 3.13Å; C41-N61 PolarHBondContact N-O 3.02Å; N61-E63 WeakPolarHBondContact OD1-CB 3.26Å; N61-E63 PolarHBondContact OD1-N 3Å
62	L	98.1	Very high	95	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.22	C	C	.	.			trans	-117.3	22.9	176.2	-71.8	156.8	0	0	0	111.5	C41 L46 L49 F53 I60 N65 L67 F75 L84 S85 L86 N89	C41-L62 HydrophobicContact CB-CD2 3.57Å; C41-L62 HydrophobicContact CB-CG 4.32Å; L46-L62 HydrophobicContact CD1-CD2 3.67Å; L49-L62 HydrophobicContact CD2-CD1 3.64Å; L49-L62 HydrophobicContact CD2-CD2 4.45Å; F53-L62 HydrophobicContact CZ-CD1 4.26Å; I60-L62 HydrophobicContact CG2-CD1 3.72Å; I60-L62 HydrophobicContact CG2-CG 3.84Å; L62-N65 VanDerWaalsContact C-ND2 3.34Å; L62-N65 PolarHBondContact O-ND2 2.83Å; L62-L67 HydrophobicContact CB-CD1 4.34Å; L62-F75 HydrophobicContact CD1-CE1 3.81Å; L62-L84 HydrophobicContact CD1-CD1 4.3Å; L62-S85 WeakPolarHBondContact CB-O 3.31Å; L62-S85 PolarHBondContact N-O 3.11Å; L62-L86 HydrophobicContact CB-CD2 3.98Å; L62-L86 HydrophobicContact CD1-CD2 3.8Å; L62-N89 PolarHBondContact O-ND2 2.81Å
63	E	97.6	Very high	95.3	Very high	45 Å²	45	48.5 Å²	48.5	21%	0.21	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	149	-178.5	179	-175.9	163.8	0	0	112.6	D42 R43 N61 N65 D87 H88	D42-E63 VanDerWaalsContact CA-O 3.24Å; D42-E63 WeakPolarHBondContact CA-O 3.43Å; D42-E63 HydrophobicContact CB-CB 4.4Å; R43-E63 PolarHBondContact N-O 2.95Å; N61-E63 WeakPolarHBondContact OD1-CB 3.26Å; N61-E63 PolarHBondContact OD1-N 3Å; E63-N65 VanDerWaalsContact C-N 3.31Å; E63-N65 PolarHBondContact O-N 3.03Å; E63-N65 PolarHBondContact O-ND2 3.3Å; E63-D87 CarbonylContact C-O 3.49Å; E63-D87 WeakPolarHBondContact CA-O 3.22Å; E63-D87 HydrophobicContact CG-CB 4.13Å; E63-H88 HydrophobicContact CG-CB 4.42Å; E63-H88 IonicContact OE1-ND1 2.68Å
64	K	97.9	Very high	95.5	Very high	74 Å²	74	49.2 Å²	49.2	32%	0.322	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	41.3	170.8	-75.5	165.9	177	131.2	0	112.9	R43 D87 H88	R43-K64 WeakPolarHBondContact CA-O 3.09Å; R43-K64 HydrophobicContact CG-CB 3.65Å; R43-K64 HydrophobicContact CG-CD 4.03Å; R43-K64 HydrophobicContact CG-CG 4.48Å; R43-K64 VanDerWaalsContact CZ-CD 3.41Å; K64-D87 PolarHBondContact N-O 3.3Å; K64-H88 WeakPolarHBondContact CA-O 3.07Å; K64-H88 HydrophobicContact CB-CB 4.45Å; K64-H88 HydrophobicContact CG-CB 3.65Å; K64-H88 PolarHBondContact N-O 3.3Å
65	N	98.1	Very high	95.7	Very high	10 Å²	10	49.6 Å²	49.6	5%	0.053	24%	0.236	C	C	.	.			trans	-108.2	-167.7	172.3	-78	-67.1	0	0	0	110.6	C41 A44 G45 L46 L62 E63 L67 H88 N89	C41-N65 PolarHBondContact O-ND2 2.81Å; A44-N65 PolarHBondContact N-OD1 2.8Å; G45-N65 PolarHBondContact N-OD1 3.39Å; L46-N65 HydrophobicContact CB-CB 4.1Å; L46-N65 WeakPolarHBondContact CB-OD1 3.46Å; L46-N65 PolarHBondContact N-OD1 3.33Å; L62-N65 VanDerWaalsContact C-ND2 3.34Å; L62-N65 PolarHBondContact O-ND2 2.83Å; E63-N65 VanDerWaalsContact C-N 3.31Å; E63-N65 PolarHBondContact O-N 3.03Å; E63-N65 PolarHBondContact O-ND2 3.3Å; N65-L67 HydrophobicContact CB-CG 4.31Å; N65-H88 PolarHBondContact N-O 3.09Å; N65-N89 WeakPolarHBondContact CA-OD1 3.04Å; N65-N89 WeakPolarHBondContact CB-OD1 3.24Å; N65-N89 PolarHBondContact O-OD1 3.33Å
66	R	97.3	Very high	95.9	Very high	174 Å²	174	49.3 Å²	49.3	66%	0.657	24%	0.236	S	C	*	.			trans	-120.7	28.2	-177.1	-58.1	178.3	-175.3	171	1.4	111.1	L46 K68 N89	L46-R66 CarbonylContact O-C 3.41Å; L46-R66 VanDerWaalsContact O-C 3.27Å; L46-R66 WeakPolarHBondContact O-CA 3.14Å; L46-R66 PolarHBondContact O-N 2.81Å; R66-K68 PolarHBondContact O-N 3.47Å; R66-N89 PolarHBondContact N-OD1 2.77Å
67	L	97.5	Very high	96.1	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.01	25%	0.248	C	C	.	.			trans	-64	131.7	-179.8	-60.1	175.6	0	0	0	109.4	L46 L49 L62 N65 L86 N89 N90 I91	L46-L67 HydrophobicContact CB-CD2 4.27Å; L46-L67 PolarHBondContact O-N 2.82Å; L49-L67 HydrophobicContact CD2-CD1 3.71Å; L49-L67 HydrophobicContact CD2-CD2 4.23Å; L49-L67 HydrophobicContact CG-CD1 4.47Å; L49-L67 HydrophobicContact CG-CD2 4.31Å; L62-L67 HydrophobicContact CB-CD1 4.34Å; N65-L67 HydrophobicContact CB-CG 4.31Å; L67-L86 HydrophobicContact CD1-CD2 3.96Å; L67-N89 HydrophobicContact CB-CB 4.29Å; L67-N89 VanDerWaalsContact CB-OD1 3.31Å; L67-N89 WeakPolarHBondContact CB-OD1 3.24Å; L67-N89 VanDerWaalsContact CG-OD1 3.31Å; L67-N89 WeakPolarHBondContact CG-OD1 3.44Å; L67-N89 PolarHBondContact N-OD1 3.02Å; L67-N89 VanDerWaalsContact N-OD1 3.08Å; L67-N90 CarbonylContact O-C 3.42Å; L67-N90 VanDerWaalsContact O-CA 3.32Å; L67-N90 WeakPolarHBondContact O-CA 3.4Å; L67-N90 PolarHBondContact O-N 3.22Å; L67-I91 HydrophobicContact CB-CG1 4.3Å; L67-I91 PolarHBondContact O-N 2.81Å
68	K	96.4	Very high	96.1	Very high	102 Å²	102	50.6 Å²	50.6	44%	0.443	25%	0.248	S	C	.	.			trans	-113.1	-34	-178.4	-67.5	-175.7	179.3	-175.7	0	114.2	R66 N90 I91 S92 F93	R66-K68 PolarHBondContact O-N 3.47Å; K68-N90 WeakPolarHBondContact CA-O 2.99Å; K68-N90 HydrophobicContact CG-CB 4.14Å; K68-I91 WeakPolarHBondContact O-CA 3.16Å; K68-S92 PolarHBondContact O-N 2.87Å; K68-F93 PolarHBondContact O-N 2.83Å
69	F	96.3	Very high	96	Very high	140 Å²	140	52.5 Å²	52.5	61%	0.614	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.6	-169.9	-57.8	-80.1	0	0	0	110.4	F93	F69-F93 HydrophobicContact CD1-CB 3.87Å; F69-F93 HydrophobicContact CD1-CD1 4.42Å; F69-F93 HydrophobicContact CE1-CB 4.18Å
70	L	97.1	Very high	95.8	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.4	168.3	-59.1	-177.3	0	0	0	109.4	L49 A74 F75 L86 I91 F93 I94 T95 A98 F99 M110	L49-L70 HydrophobicContact CD1-CD2 3.89Å; L49-L70 HydrophobicContact CG-CD2 4.5Å; L70-A74 HydrophobicContact CB-CB 4.35Å; L70-F75 HydrophobicContact CD2-CZ 4.36Å; L70-L86 HydrophobicContact CD1-CD1 4Å; L70-I91 HydrophobicContact CD1-CD1 4.22Å; L70-I91 HydrophobicContact CG-CD1 4.44Å; L70-I91 HydrophobicContact CG-CG2 4.49Å; L70-F93 PolarHBondContact N-O 2.68Å; L70-I94 HydrophobicContact CB-CG2 4.24Å; L70-I94 HydrophobicContact CD1-CG1 4.23Å; L70-I94 HydrophobicContact CD1-CG2 4.33Å; L70-T95 PolarHBondContact O-N 2.02Å; L70-T95 PolarHBondContact O-OG1 2.81Å; L70-A98 HydrophobicContact CB-CB 3.96Å; L70-F99 HydrophobicContact CD1-CE1 4.07Å; L70-F99 HydrophobicContact CD1-CZ 3.76Å; L70-M110 HydrophobicContact CD1-CE 4.41Å
71	S	95.3	Very high	95.7	Very high	73 Å²	73	53.7 Å²	53.7	51%	0.51	27%	0.267	S	S	.	.			trans	-78.6	167.3	177.3	63.5	0	0	0	0	112.4	R73 A74 T95 A98	S71-R73 PolarHBondContact O-N 2.87Å; S71-A74 WeakPolarHBondContact O-CA 3.33Å; S71-A74 VanDerWaalsContact O-CB 3.26Å; S71-A74 WeakPolarHBondContact O-CB 3.31Å; S71-A74 PolarHBondContact O-N 3.35Å; S71-T95 WeakPolarHBondContact CA-OG1 3.2Å; S71-T95 PolarHBondContact O-OG1 3.39Å; S71-A98 WeakPolarHBondContact O-CA 3.43Å
72	E	94.8	Very high	95.7	Very high	106 Å²	106	57.2 Å²	57.2	50%	0.495	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	134.4	178.4	-170.8	-164.2	155.4	0	0	108.6	A74 T95	E72-A74 PolarHBondContact O-N 3.09Å; E72-T95 PolarHBondContact N-OG1 3.23Å
73	R	94	Very high	95.8	Very high	121 Å²	121	58.6 Å²	58.6	46%	0.457	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	42.7	-173.3	-60.1	178.4	174.4	106.4	-13.8	112.6	S71 F75 G76 G97 A98 K100	S71-R73 PolarHBondContact O-N 2.87Å; R73-F75 PolarHBondContact O-N 2.85Å; R73-G76 PolarHBondContact O-N 2.86Å; R73-G97 PolarHBondContact N-O 2.03Å; R73-A98 CarbonylContact C-O 3.37Å; R73-A98 WeakPolarHBondContact CA-O 3.44Å; R73-K100 HydrophobicContact CG-CB 4.01Å; R73-K100 HydrophobicContact CG-CD 4.35Å; R73-K100 HydrophobicContact CG-CG 4.32Å
74	A	95.7	Very high	95.8	Very high	19 Å²	19	56.5 Å²	56.5	16%	0.157	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-37.4	-177.9	0	0	0	0	0	113.7	L49 L70 S71 E72 A98	L49-A74 HydrophobicContact CD1-CB 3.7Å; L70-A74 HydrophobicContact CB-CB 4.35Å; S71-A74 WeakPolarHBondContact O-CA 3.33Å; S71-A74 VanDerWaalsContact O-CB 3.26Å; S71-A74 WeakPolarHBondContact O-CB 3.31Å; S71-A74 PolarHBondContact O-N 3.35Å; E72-A74 PolarHBondContact O-N 3.09Å; A74-A98 PolarHBondContact N-O 3Å
75	F	95.1	Very high	95.9	Very high	7 Å²	7	53.5 Å²	53.5	3%	0.031	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-1.9	-178.7	-57.6	-83.9	0	0	0	113.4	L49 F53 L62 L70 R73 L78 L84 L86 F99 L102	L49-F75 HydrophobicContact CD1-CD1 4.47Å; L49-F75 HydrophobicContact CD1-CE1 3.99Å; L49-F75 HydrophobicContact CD1-CE2 4.45Å; L49-F75 HydrophobicContact CD1-CZ 3.96Å; L49-F75 HydrophobicContact CD2-CE1 3.78Å; L49-F75 HydrophobicContact CD2-CZ 4.14Å; F53-F75 HydrophobicContact CE2-CD1 4Å; F53-F75 HydrophobicContact CZ-CD1 4.48Å; L62-F75 HydrophobicContact CD1-CE1 3.81Å; L70-F75 HydrophobicContact CD2-CZ 4.36Å; R73-F75 PolarHBondContact O-N 2.85Å; F75-L78 HydrophobicContact CB-CD1 4.17Å; F75-L84 HydrophobicContact CD1-CD1 4.46Å; F75-L84 HydrophobicContact CD1-CD2 4.38Å; F75-L84 HydrophobicContact CD2-CD2 4.16Å; F75-L84 HydrophobicContact CE1-CD1 3.96Å; F75-L84 HydrophobicContact CE1-CD2 4.08Å; F75-L84 HydrophobicContact CE2-CD2 3.86Å; F75-L84 HydrophobicContact CG-CD2 4.43Å; F75-L84 HydrophobicContact CZ-CD1 4.32Å; F75-L84 HydrophobicContact CZ-CD2 3.83Å; F75-L86 HydrophobicContact CE1-CD2 4.45Å; F75-L86 HydrophobicContact CE2-CD1 4.43Å; F75-L86 HydrophobicContact CZ-CD1 3.99Å; F75-L86 HydrophobicContact CZ-CD2 3.93Å; F75-L86 HydrophobicContact CZ-CG 4.45Å; F75-F99 HydrophobicContact CD2-CD1 4.12Å; F75-F99 HydrophobicContact CD2-CE1 4.47Å; F75-F99 AromaticContact CE2-CD1 3.85Å; F75-F99 HydrophobicContact CE2-CD1 3.85Å; F75-F99 AromaticContact CE2-CE1 3.75Å; F75-F99 HydrophobicContact CE2-CE1 3.75Å; F75-L102 HydrophobicContact CB-CD1 4.28Å; F75-L102 HydrophobicContact CB-CD2 4.01Å; F75-L102 HydrophobicContact CB-CG 4.5Å; F75-L102 HydrophobicContact CD2-CD1 4.14Å; F75-L102 HydrophobicContact CG-CD1 4.33Å
76	G	92.1	Very high	95.9	Very high	12 Å²	12	53 Å²	53	12%	0.124	27%	0.266	C	S	.	.			trans	63.3	-144.2	-170	0	0	0	0	0	112.6	R73	R73-G76 PolarHBondContact O-N 2.86Å
77	T	93.4	Very high	95.9	Very high	86 Å²	86	45.5 Å²	45.5	53%	0.528	24%	0.239	S	C	.	.			trans	-105.9	114.9	177.3	-53	0	0	0	0	109
78	L	94	Very high	96	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.254	C	S	.	.			trans	-122.2	92.9	177.3	-61.2	173.3	0	0	0	108.4	F53 I60 F75 S80 L81 G101 L102	F53-L78 HydrophobicContact CB-CD1 4.28Å; F53-L78 HydrophobicContact CB-CD2 4.05Å; I60-L78 HydrophobicContact CD1-CD1 3.54Å; F75-L78 HydrophobicContact CB-CD1 4.17Å; L78-S80 VanDerWaalsContact C-N 3.28Å; L78-S80 PolarHBondContact O-N 2.57Å; L78-L81 HydrophobicContact CB-CB 3.83Å; L78-L81 HydrophobicContact CB-CD2 4.44Å; L78-L81 HydrophobicContact CD1-CD2 3.93Å; L78-L81 PolarHBondContact O-N 3.06Å; L78-G101 PolarHBondContact N-O 2.99Å; L78-L102 HydrophobicContact CB-CD2 3.74Å; L78-L102 HydrophobicContact CD1-CD2 3.99Å; L78-L102 HydrophobicContact CG-CD2 4.09Å
79	P	91.6	Very high	96	Very high	62 Å²	62	44.5 Å²	44.5	40%	0.403	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-23.6	-169.5	28.7	-35	0	0	0	113	N104	P79-N104 PolarHBondContact O-ND2 2.97Å
80	S	93.7	Very high	96.1	Very high	52 Å²	52	40.1 Å²	40.1	36%	0.364	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-8.2	-177.4	-54.2	0	0	0	0	113.7	C55 A57 L78 K82	C55-S80 WeakPolarHBondContact O-CB 3.45Å; C55-S80 PolarHBondContact O-OG 3.33Å; A57-S80 CarbonylContact O-C 3.43Å; L78-S80 VanDerWaalsContact C-N 3.28Å; L78-S80 PolarHBondContact O-N 2.57Å; S80-K82 PolarHBondContact O-N 3.11Å
81	L	96.9	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.			trans	-70.7	125.8	-171.3	-167.8	72.4	0	0	0	111.1	A57 I60 L78 L84 L102 N104 L105	A57-L81 VanDerWaalsContact O-CA 3.29Å; A57-L81 WeakPolarHBondContact O-CA 3.36Å; A57-L81 PolarHBondContact O-N 2.83Å; I60-L81 HydrophobicContact CB-CD1 4.2Å; I60-L81 HydrophobicContact CD1-CD1 3.77Å; I60-L81 HydrophobicContact CD1-CD2 4.12Å; I60-L81 HydrophobicContact CG1-CD1 3.65Å; L78-L81 HydrophobicContact CB-CB 3.83Å; L78-L81 HydrophobicContact CB-CD2 4.44Å; L78-L81 HydrophobicContact CD1-CD2 3.93Å; L78-L81 PolarHBondContact O-N 3.06Å; L81-L84 HydrophobicContact CD2-CB 4.29Å; L81-L102 HydrophobicContact CD2-CD1 4.18Å; L81-L102 HydrophobicContact CD2-CD2 3.83Å; L81-N104 CarbonylContact O-C 3.59Å; L81-L105 HydrophobicContact CD2-CD1 3.88Å; L81-L105 HydrophobicContact CG-CD1 3.9Å; L81-L105 WeakPolarHBondContact O-CA 3.47Å; L81-L105 PolarHBondContact O-N 3.2Å
82	K	98	Very high	96.1	Very high	113 Å²	113	38.9 Å²	38.9	49%	0.491	21%	0.211	S	C	.	.			trans	-113.8	-32.8	179.9	-64.6	-178.9	-176.7	176.9	0	112.9	S58 S80 L106 E107	S58-K82 PolarHBondContact O-N 3.16Å; S80-K82 PolarHBondContact O-N 3.11Å; K82-L106 HydrophobicContact CB-CD1 4.23Å; K82-L106 HydrophobicContact CB-CG 4.26Å; K82-L106 HydrophobicContact CD-CD1 4.21Å; K82-L106 HydrophobicContact CG-CD1 4.28Å; K82-L106 HydrophobicContact CG-CG 4.46Å; K82-L106 WeakPolarHBondContact O-CA 3.28Å; K82-L106 PolarHBondContact O-N 3.38Å; K82-E107 PolarHBondContact O-N 3Å
83	S	98.5	Very high	96.2	Very high	30 Å²	30	39.4 Å²	39.4	21%	0.21	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.1	179.4	179.4	0	0	0	0	111	S58 A59 I60 E107	S58-S83 PolarHBondContact O-N 2.95Å; A59-S83 VanDerWaalsContact CA-O 3.29Å; A59-S83 WeakPolarHBondContact CA-O 3.17Å; I60-S83 PolarHBondContact N-O 3.24Å; S83-E107 WeakPolarHBondContact CA-O 3.43Å; S83-E107 PolarHBondContact OG-OE2 2.91Å
84	L	98.7	Very high	96.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	119.6	175.6	175.4	60.7	0	0	0	108.7	I60 L62 F75 L81 L86 F99 L102 L105 E107 L108 K109	I60-L84 HydrophobicContact CB-CD1 3.9Å; I60-L84 HydrophobicContact CG2-CD1 3.91Å; I60-L84 WeakPolarHBondContact O-CA 3.37Å; L62-L84 HydrophobicContact CD1-CD1 4.3Å; F75-L84 HydrophobicContact CD1-CD1 4.46Å; F75-L84 HydrophobicContact CD1-CD2 4.38Å; F75-L84 HydrophobicContact CD2-CD2 4.16Å; F75-L84 HydrophobicContact CE1-CD1 3.96Å; F75-L84 HydrophobicContact CE1-CD2 4.08Å; F75-L84 HydrophobicContact CE2-CD2 3.86Å; F75-L84 HydrophobicContact CG-CD2 4.43Å; F75-L84 HydrophobicContact CZ-CD1 4.32Å; F75-L84 HydrophobicContact CZ-CD2 3.83Å; L81-L84 HydrophobicContact CD2-CB 4.29Å; L84-L86 HydrophobicContact CD1-CG 4.46Å; L84-L86 HydrophobicContact CD2-CD1 4.31Å; L84-L86 HydrophobicContact CG-CD1 4.47Å; L84-L86 HydrophobicContact CG-CG 4.33Å; L84-F99 HydrophobicContact CD2-CD1 4.19Å; L84-F99 HydrophobicContact CD2-CE1 4.17Å; L84-L102 HydrophobicContact CD2-CD1 3.9Å; L84-L105 HydrophobicContact CB-CD1 3.86Å; L84-L105 HydrophobicContact CB-CD2 4.41Å; L84-E107 PolarHBondContact N-O 3.1Å; L84-L108 HydrophobicContact CB-CD1 4.19Å; L84-L108 HydrophobicContact CD2-CD1 3.94Å; L84-L108 HydrophobicContact CG-CD1 4.06Å; L84-L108 WeakPolarHBondContact O-CA 3.1Å; L84-K109 PolarHBondContact O-N 3Å
85	S	98.6	Very high	96.3	Very high	11 Å²	11	34.8 Å²	34.8	8%	0.077	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.1	170.6	173.6	0	0	0	0	110.8	I60 L62 D87	I60-S85 PolarHBondContact O-N 2.79Å; L62-S85 WeakPolarHBondContact CB-O 3.31Å; L62-S85 PolarHBondContact N-O 3.11Å; S85-D87 VanDerWaalsContact OG-CG 3.27Å; S85-D87 PolarHBondContact OG-N 3Å; S85-D87 PolarHBondContact OG-OD2 3.02Å
86	L	98.4	Very high	96.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.204	C	C	.	.			trans	-122.9	21.3	173.8	-66.7	165.6	0	0	0	110.5	L62 L67 L70 F75 L84 N89 I91 F99 L108 K109 M110 N113	L62-L86 HydrophobicContact CB-CD2 3.98Å; L62-L86 HydrophobicContact CD1-CD2 3.8Å; L67-L86 HydrophobicContact CD1-CD2 3.96Å; L70-L86 HydrophobicContact CD1-CD1 4Å; F75-L86 HydrophobicContact CE1-CD2 4.45Å; F75-L86 HydrophobicContact CE2-CD1 4.43Å; F75-L86 HydrophobicContact CZ-CD1 3.99Å; F75-L86 HydrophobicContact CZ-CD2 3.93Å; F75-L86 HydrophobicContact CZ-CG 4.45Å; L84-L86 HydrophobicContact CD1-CG 4.46Å; L84-L86 HydrophobicContact CD2-CD1 4.31Å; L84-L86 HydrophobicContact CG-CD1 4.47Å; L84-L86 HydrophobicContact CG-CG 4.33Å; L86-N89 PolarHBondContact O-ND2 3.23Å; L86-I91 HydrophobicContact CB-CD1 4.06Å; L86-I91 HydrophobicContact CD1-CD1 4.4Å; L86-F99 HydrophobicContact CD1-CE1 3.81Å; L86-F99 HydrophobicContact CD1-CZ 4.16Å; L86-L108 HydrophobicContact CD1-CD1 4.47Å; L86-K109 PolarHBondContact N-O 3.41Å; L86-M110 HydrophobicContact CB-CG 4.48Å; L86-M110 HydrophobicContact CD1-CE 4.4Å; L86-M110 HydrophobicContact CD1-CG 4.43Å; L86-N113 PolarHBondContact O-ND2 3.2Å
87	D	98.4	Very high	96.5	Very high	16 Å²	16	36 Å²	36	9%	0.086	20%	0.202	C	C	.	.			trans	-63.2	152.9	-173.4	-57.8	-34.3	0	0	0	111.3	E63 K64 S85 N89 K109 M110 A111	E63-D87 CarbonylContact C-O 3.49Å; E63-D87 WeakPolarHBondContact CA-O 3.22Å; E63-D87 HydrophobicContact CG-CB 4.13Å; K64-D87 PolarHBondContact N-O 3.3Å; S85-D87 VanDerWaalsContact OG-CG 3.27Å; S85-D87 PolarHBondContact OG-N 3Å; S85-D87 PolarHBondContact OG-OD2 3.02Å; D87-N89 VanDerWaalsContact C-N 3.32Å; D87-N89 PolarHBondContact O-N 3.37Å; D87-N89 PolarHBondContact O-ND2 3.15Å; D87-N89 VanDerWaalsContact O-ND2 3.12Å; D87-K109 WeakPolarHBondContact OD1-CB 3.29Å; D87-K109 VanDerWaalsContact OD2-CB 3.24Å; D87-K109 WeakPolarHBondContact OD2-CB 3.36Å; D87-M110 PolarHBondContact OD1-N 3.31Å; D87-M110 VanDerWaalsContact OD1-N 3.09Å; D87-A111 CarbonylContact C-O 3.18Å; D87-A111 WeakPolarHBondContact CA-O 3.28Å; D87-A111 PolarHBondContact OD1-N 2.86Å
88	H	98.2	Very high	96.6	Very high	72 Å²	72	32 Å²	32	33%	0.333	18%	0.177	S	C	.	.	S	Bend	trans	52.4	49.8	176	-58.1	85.7	0	0	0	112.6	E63 K64 N65 A111 H112	E63-H88 HydrophobicContact CG-CB 4.42Å; E63-H88 IonicContact OE1-ND1 2.68Å; K64-H88 WeakPolarHBondContact CA-O 3.07Å; K64-H88 HydrophobicContact CB-CB 4.45Å; K64-H88 HydrophobicContact CG-CB 3.65Å; K64-H88 PolarHBondContact N-O 3.3Å; N65-H88 PolarHBondContact N-O 3.09Å; H88-A111 PolarHBondContact N-O 2.99Å; H88-H112 WeakPolarHBondContact CA-O 3.1Å; H88-H112 HydrophobicContact CB-CB 4.42Å; H88-H112 AromaticContact CD2-CD2 3.96Å; H88-H112 AromaticContact CD2-CG 3.77Å; H88-H112 AromaticContact CE1-CD2 3.21Å; H88-H112 PolarHBondContact CE1-CD2 3.29Å; H88-H112 AromaticContact CE1-CG 3.81Å; H88-H112 AromaticContact CE1-NE2 3.9Å; H88-H112 AromaticContact ND1-CD2 3.85Å; H88-H112 AromaticContact NE2-CD2 3.32Å; H88-H112 PolarHBondContact NE2-CD2 3.49Å; H88-H112 VanDerWaalsContact NE2-CD2 3.32Å; H88-H112 AromaticContact NE2-CG 3.54Å; H88-H112 AromaticContact NE2-NE2 3.84Å
89	N	98.1	Very high	96.8	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.064	18%	0.177	C	C	.	.			trans	-112.6	-173.9	171.8	-86.5	-86	0	0	0	109.7	L62 N65 R66 L67 L86 D87 I91 N113	L62-N89 PolarHBondContact O-ND2 2.81Å; N65-N89 WeakPolarHBondContact CA-OD1 3.04Å; N65-N89 WeakPolarHBondContact CB-OD1 3.24Å; N65-N89 PolarHBondContact O-OD1 3.33Å; R66-N89 PolarHBondContact N-OD1 2.77Å; L67-N89 HydrophobicContact CB-CB 4.29Å; L67-N89 VanDerWaalsContact CB-OD1 3.31Å; L67-N89 WeakPolarHBondContact CB-OD1 3.24Å; L67-N89 VanDerWaalsContact CG-OD1 3.31Å; L67-N89 WeakPolarHBondContact CG-OD1 3.44Å; L67-N89 PolarHBondContact N-OD1 3.02Å; L67-N89 VanDerWaalsContact N-OD1 3.08Å; L86-N89 PolarHBondContact O-ND2 3.23Å; D87-N89 VanDerWaalsContact C-N 3.32Å; D87-N89 PolarHBondContact O-N 3.37Å; D87-N89 PolarHBondContact O-ND2 3.15Å; D87-N89 VanDerWaalsContact O-ND2 3.12Å; N89-I91 HydrophobicContact CB-CD1 4.17Å; N89-I91 HydrophobicContact CB-CG1 3.96Å; N89-N113 VanDerWaalsContact CA-OD1 3.3Å; N89-N113 WeakPolarHBondContact CA-OD1 3.36Å; N89-N113 WeakPolarHBondContact CB-OD1 3.48Å; N89-N113 PolarHBondContact N-OD1 3.08Å; N89-N113 PolarHBondContact O-OD1 3.05Å
90	N	96.9	Very high	97	Very high	48 Å²	48	33.2 Å²	33.2	26%	0.257	18%	0.176	S	C	.	.			trans	-111.6	32.3	179.3	-156.5	98.5	0	0	0	110.6	L67 K68 S92 Y115	L67-N90 CarbonylContact O-C 3.42Å; L67-N90 VanDerWaalsContact O-CA 3.32Å; L67-N90 WeakPolarHBondContact O-CA 3.4Å; L67-N90 PolarHBondContact O-N 3.22Å; K68-N90 WeakPolarHBondContact CA-O 2.99Å; K68-N90 HydrophobicContact CG-CB 4.14Å; N90-S92 PolarHBondContact O-N 3.26Å; N90-Y115 HydrophobicContact CB-CD2 4.42Å; N90-Y115 HydrophobicContact CB-CE2 4.49Å; N90-Y115 WeakPolarHBondContact OD1-CE2 3.16Å
91	I	97.7	Very high	96.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.			trans	-66.5	120	-171.5	-62.3	168.5	0	0	0	108	L67 K68 L70 L86 N89 I94 M110 N113 Y115 I116	L67-I91 HydrophobicContact CB-CG1 4.3Å; L67-I91 PolarHBondContact O-N 2.81Å; K68-I91 WeakPolarHBondContact O-CA 3.16Å; L70-I91 HydrophobicContact CD1-CD1 4.22Å; L70-I91 HydrophobicContact CG-CD1 4.44Å; L70-I91 HydrophobicContact CG-CG2 4.49Å; L86-I91 HydrophobicContact CB-CD1 4.06Å; L86-I91 HydrophobicContact CD1-CD1 4.4Å; N89-I91 HydrophobicContact CB-CD1 4.17Å; N89-I91 HydrophobicContact CB-CG1 3.96Å; I91-I94 HydrophobicContact CG2-CD1 4.19Å; I91-I94 HydrophobicContact CG2-CG1 3.69Å; I91-M110 HydrophobicContact CD1-CE 4.41Å; I91-N113 HydrophobicContact CB-CB 4.39Å; I91-N113 WeakPolarHBondContact CB-OD1 3.19Å; I91-N113 WeakPolarHBondContact CG1-OD1 3.09Å; I91-N113 PolarHBondContact N-OD1 2.98Å; I91-N113 VanDerWaalsContact N-OD1 3.09Å; I91-Y115 CarbonylContact O-C 3.57Å; I91-Y115 WeakPolarHBondContact O-CB 3.22Å; I91-I116 HydrophobicContact CB-CD1 4.26Å; I91-I116 HydrophobicContact CB-CG1 4.28Å; I91-I116 HydrophobicContact CG2-CD1 4.17Å; I91-I116 HydrophobicContact CG2-CG1 4.16Å; I91-I116 WeakPolarHBondContact O-CG1 3.14Å; I91-I116 PolarHBondContact O-N 3.07Å
92	S	95.5	Very high	96.9	Very high	49 Å²	49	31.7 Å²	31.7	34%	0.343	17%	0.169	S	C	.	.			trans	-113.7	-20.4	178.7	63.8	0	0	0	0	112.3	K68 N90	K68-S92 PolarHBondContact O-N 2.87Å; N90-S92 PolarHBondContact O-N 3.26Å
93	F	95.8	Very high	96.8	Very high	116 Å²	116	29.3 Å²	29.3	51%	0.509	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	128.2	-176.6	-174.5	-102.9	0	0	0	112	K68 F69 L70 T95	K68-F93 PolarHBondContact O-N 2.83Å; F69-F93 HydrophobicContact CD1-CB 3.87Å; F69-F93 HydrophobicContact CD1-CD1 4.42Å; F69-F93 HydrophobicContact CE1-CB 4.18Å; L70-F93 PolarHBondContact N-O 2.68Å; F93-T95 HydrophobicContact CD1-CG2 4.22Å; F93-T95 HydrophobicContact CE1-CG2 3.5Å; F93-T95 VanDerWaalsContact CE1-CG2 3.5Å; F93-T95 HydrophobicContact CZ-CG2 4.31Å
94	I	97.2	Very high	96.7	Very high	10 Å²	10	30.3 Å²	30.3	5%	0.051	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	114.9	178.9	-53.6	162.4	0	0	0	107.1	L70 I91 A98 F99 M110 I116 L119 T123	L70-I94 HydrophobicContact CB-CG2 4.24Å; L70-I94 HydrophobicContact CD1-CG1 4.23Å; L70-I94 HydrophobicContact CD1-CG2 4.33Å; I91-I94 HydrophobicContact CG2-CD1 4.19Å; I91-I94 HydrophobicContact CG2-CG1 3.69Å; I94-A98 HydrophobicContact CG2-CB 3.58Å; I94-F99 HydrophobicContact CG2-CE2 4.23Å; I94-M110 HydrophobicContact CD1-CE 3.45Å; I94-M110 VanDerWaalsContact CD1-CE 3.45Å; I94-M110 HydrophobicContact CG1-CE 4.4Å; I94-I116 HydrophobicContact CD1-CD1 4.09Å; I94-I116 HydrophobicContact CD1-CG2 4.41Å; I94-L119 HydrophobicContact CD1-CD2 3.88Å; I94-T123 HydrophobicContact CG2-CG2 3.84Å
95	T	95.9	Very high	96.7	Very high	33 Å²	33	30.3 Å²	30.3	20%	0.202	17%	0.17	C	C	.	.			trans	-67.9	150.2	176	47.9	0	0	0	0	111.6	L70 S71 E72 F93 G97 A98	L70-T95 PolarHBondContact O-N 2.02Å; L70-T95 PolarHBondContact O-OG1 2.81Å; S71-T95 WeakPolarHBondContact CA-OG1 3.2Å; S71-T95 PolarHBondContact O-OG1 3.39Å; E72-T95 PolarHBondContact N-OG1 3.23Å; F93-T95 HydrophobicContact CD1-CG2 4.22Å; F93-T95 HydrophobicContact CE1-CG2 3.5Å; F93-T95 VanDerWaalsContact CE1-CG2 3.5Å; F93-T95 HydrophobicContact CZ-CG2 4.31Å; T95-G97 PolarHBondContact O-N 3.26Å; T95-A98 WeakPolarHBondContact O-CB 3.45Å; T95-A98 PolarHBondContact O-N 3.32Å; T95-A98 VanDerWaalsContact O-N 3.08Å
96	P	96.5	Very high	96.7	Very high	38 Å²	38	32.6 Å²	32.6	25%	0.247	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	127.1	172.7	-27.9	37.4	0	0	0	111.6	H120 R122	P96-H120 HydrophobicContact CG-CB 4.22Å; P96-H120 VanDerWaalsContact CG-CD2 3.49Å; P96-H120 WeakPolarHBondContact CG-CD2 3.25Å; P96-R122 HydrophobicContact CB-CB 4.09Å
97	G	94	Very high	96.7	Very high	8 Å²	8	34.6 Å²	34.6	8%	0.082	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	21.8	-178.3	0	0	0	0	0	115	R73 T95 F99 K100 R122	R73-G97 PolarHBondContact N-O 2.03Å; T95-G97 PolarHBondContact O-N 3.26Å; G97-F99 PolarHBondContact O-N 3.4Å; G97-K100 WeakPolarHBondContact O-CB 3.14Å; G97-K100 PolarHBondContact O-N 3.02Å; G97-R122 PolarHBondContact N-O 3.31Å
98	A	97	Very high	96.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-36	174	0	0	0	0	0	113.3	L70 S71 R73 A74 I94 T95	L70-A98 HydrophobicContact CB-CB 3.96Å; S71-A98 WeakPolarHBondContact O-CA 3.43Å; R73-A98 CarbonylContact C-O 3.37Å; R73-A98 WeakPolarHBondContact CA-O 3.44Å; A74-A98 PolarHBondContact N-O 3Å; I94-A98 HydrophobicContact CG2-CB 3.58Å; T95-A98 WeakPolarHBondContact O-CB 3.45Å; T95-A98 PolarHBondContact O-N 3.32Å; T95-A98 VanDerWaalsContact O-N 3.08Å
99	F	97.3	Very high	96.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	8.5	179.6	-54.4	-70.3	0	0	0	114.2	L70 F75 L84 L86 I94 G97 G101 L102 L108 M110 T123 F124 L127	L70-F99 HydrophobicContact CD1-CE1 4.07Å; L70-F99 HydrophobicContact CD1-CZ 3.76Å; F75-F99 HydrophobicContact CD2-CD1 4.12Å; F75-F99 HydrophobicContact CD2-CE1 4.47Å; F75-F99 AromaticContact CE2-CD1 3.85Å; F75-F99 HydrophobicContact CE2-CD1 3.85Å; F75-F99 AromaticContact CE2-CE1 3.75Å; F75-F99 HydrophobicContact CE2-CE1 3.75Å; L84-F99 HydrophobicContact CD2-CD1 4.19Å; L84-F99 HydrophobicContact CD2-CE1 4.17Å; L86-F99 HydrophobicContact CD1-CE1 3.81Å; L86-F99 HydrophobicContact CD1-CZ 4.16Å; I94-F99 HydrophobicContact CG2-CE2 4.23Å; G97-F99 PolarHBondContact O-N 3.4Å; F99-G101 PolarHBondContact O-N 3.29Å; F99-L102 HydrophobicContact CB-CD1 4.27Å; F99-L102 HydrophobicContact CD1-CD1 4.23Å; F99-L102 WeakPolarHBondContact O-CB 3.22Å; F99-L102 WeakPolarHBondContact O-CG 3.16Å; F99-L102 PolarHBondContact O-N 3.08Å; F99-L108 HydrophobicContact CD1-CD1 4.5Å; F99-L108 HydrophobicContact CD1-CD2 4.41Å; F99-L108 HydrophobicContact CD2-CD2 4.23Å; F99-L108 HydrophobicContact CE1-CD1 4.02Å; F99-L108 HydrophobicContact CE1-CD2 4.22Å; F99-L108 HydrophobicContact CE2-CD2 4.06Å; F99-L108 HydrophobicContact CG-CD2 4.42Å; F99-L108 HydrophobicContact CZ-CD1 4.37Å; F99-L108 HydrophobicContact CZ-CD2 4.06Å; F99-M110 HydrophobicContact CE2-CE 4.46Å; F99-M110 HydrophobicContact CE2-SD 3.99Å; F99-M110 HydrophobicContact CZ-CE 3.86Å; F99-M110 HydrophobicContact CZ-SD 3.57Å; F99-M110 VanDerWaalsContact CZ-SD 3.57Å; F99-T123 HydrophobicContact CD2-CG2 4.23Å; F99-T123 WeakPolarHBondContact CD2-O 3.45Å; F99-T123 HydrophobicContact CE2-CG2 3.88Å; F99-F124 HydrophobicContact CD2-CD1 4.2Å; F99-F124 HydrophobicContact CE2-CD1 4.32Å; F99-F124 HydrophobicContact CE2-CE1 4.2Å; F99-L127 HydrophobicContact CB-CD1 3.95Å; F99-L127 HydrophobicContact CB-CD2 4Å; F99-L127 HydrophobicContact CB-CG 4.2Å; F99-L127 HydrophobicContact CG-CD1 4.33Å
100	K	94.8	Very high	96.7	Very high	89 Å²	89	32.6 Å²	32.6	39%	0.387	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	128.7	179.7	-176.3	177.3	-175.7	176.8	0	110.2	R73 G97	R73-K100 HydrophobicContact CG-CB 4.01Å; R73-K100 HydrophobicContact CG-CD 4.35Å; R73-K100 HydrophobicContact CG-CG 4.32Å; G97-K100 WeakPolarHBondContact O-CB 3.14Å; G97-K100 PolarHBondContact O-N 3.02Å
101	G	93.6	Very high	96.8	Very high	20 Å²	20	30.5 Å²	30.5	21%	0.206	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.5	-7.8	-175.9	0	0	0	0	0	113.9	L78 F99 S103	L78-G101 PolarHBondContact N-O 2.99Å; F99-G101 PolarHBondContact O-N 3.29Å; G101-S103 PolarHBondContact O-N 3.38Å
102	L	96.8	Very high	96.8	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.182	C	C	.	.			trans	-97.4	54	177.4	-50.8	-176.6	0	0	0	111.6	F75 L78 L81 L84 F99 N104 L105 L127	F75-L102 HydrophobicContact CB-CD1 4.28Å; F75-L102 HydrophobicContact CB-CD2 4.01Å; F75-L102 HydrophobicContact CB-CG 4.5Å; F75-L102 HydrophobicContact CD2-CD1 4.14Å; F75-L102 HydrophobicContact CG-CD1 4.33Å; L78-L102 HydrophobicContact CB-CD2 3.74Å; L78-L102 HydrophobicContact CD1-CD2 3.99Å; L78-L102 HydrophobicContact CG-CD2 4.09Å; L81-L102 HydrophobicContact CD2-CD1 4.18Å; L81-L102 HydrophobicContact CD2-CD2 3.83Å; L84-L102 HydrophobicContact CD2-CD1 3.9Å; F99-L102 HydrophobicContact CB-CD1 4.27Å; F99-L102 HydrophobicContact CD1-CD1 4.23Å; F99-L102 WeakPolarHBondContact O-CB 3.22Å; F99-L102 WeakPolarHBondContact O-CG 3.16Å; F99-L102 PolarHBondContact O-N 3.08Å; L102-N104 PolarHBondContact O-N 3Å; L102-N104 VanDerWaalsContact O-N 3.14Å; L102-L105 HydrophobicContact CB-CB 4.13Å; L102-L105 HydrophobicContact CB-CD2 4.49Å; L102-L105 HydrophobicContact CD1-CD2 4.26Å; L102-L105 WeakPolarHBondContact O-CB 3.38Å; L102-L105 PolarHBondContact O-N 3.14Å; L102-L105 VanDerWaalsContact O-N 3.17Å; L102-L127 HydrophobicContact CB-CD2 3.82Å; L102-L127 WeakPolarHBondContact O-CD2 3.37Å
103	S	94.6	Very high	96.9	Very high	63 Å²	63	31.1 Å²	31.1	44%	0.441	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.6	-169.2	54.7	0	0	0	0	115.5	G101	G101-S103 PolarHBondContact O-N 3.38Å
104	N	97.1	Very high	96.9	Very high	51 Å²	51	30.9 Å²	30.9	27%	0.273	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	9.2	178.6	-70.5	-53.7	0	0	0	113.4	P79 L81 L102 L106 K129	P79-N104 PolarHBondContact O-ND2 2.97Å; L81-N104 CarbonylContact O-C 3.59Å; L102-N104 PolarHBondContact O-N 3Å; L102-N104 VanDerWaalsContact O-N 3.14Å; N104-L106 PolarHBondContact O-N 2.96Å; N104-K129 WeakPolarHBondContact OD1-CE 3.43Å; N104-K129 PolarHBondContact OD1-NZ 2.94Å
105	L	98.4	Very high	96.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.			trans	-64.5	127.8	178.8	-162	73	0	0	0	110	L81 L84 L102 L108 L127 K129 L130	L81-L105 HydrophobicContact CD2-CD1 3.88Å; L81-L105 HydrophobicContact CG-CD1 3.9Å; L81-L105 WeakPolarHBondContact O-CA 3.47Å; L81-L105 PolarHBondContact O-N 3.2Å; L84-L105 HydrophobicContact CB-CD1 3.86Å; L84-L105 HydrophobicContact CB-CD2 4.41Å; L102-L105 HydrophobicContact CB-CB 4.13Å; L102-L105 HydrophobicContact CB-CD2 4.49Å; L102-L105 HydrophobicContact CD1-CD2 4.26Å; L102-L105 WeakPolarHBondContact O-CB 3.38Å; L102-L105 PolarHBondContact O-N 3.14Å; L102-L105 VanDerWaalsContact O-N 3.17Å; L105-L108 HydrophobicContact CD2-CB 3.99Å; L105-L108 HydrophobicContact CD2-CD1 4.43Å; L105-L127 HydrophobicContact CB-CD2 4.15Å; L105-L127 HydrophobicContact CD2-CD1 4.28Å; L105-L127 HydrophobicContact CD2-CD2 4.01Å; L105-K129 CarbonylContact O-C 3.57Å; L105-L130 HydrophobicContact CD2-CD1 4.26Å; L105-L130 HydrophobicContact CG-CD1 4.36Å; L105-L130 WeakPolarHBondContact O-CA 3.31Å; L105-L130 PolarHBondContact O-N 3.1Å
106	L	98.8	Very high	96.8	Very high	59 Å²	59	35.1 Å²	35.1	31%	0.309	18%	0.179	S	C	.	.			trans	-104.8	-32.8	179.3	-55.6	-178.1	0	0	0	111.2	K82 N104 K129 L131 R132	K82-L106 HydrophobicContact CB-CD1 4.23Å; K82-L106 HydrophobicContact CB-CG 4.26Å; K82-L106 HydrophobicContact CD-CD1 4.21Å; K82-L106 HydrophobicContact CG-CD1 4.28Å; K82-L106 HydrophobicContact CG-CG 4.46Å; K82-L106 WeakPolarHBondContact O-CA 3.28Å; K82-L106 PolarHBondContact O-N 3.38Å; N104-L106 PolarHBondContact O-N 2.96Å; L106-K129 HydrophobicContact CD2-CB 3.95Å; L106-K129 WeakPolarHBondContact CD2-O 3.2Å; L106-L131 HydrophobicContact CB-CD1 4.42Å; L106-L131 HydrophobicContact CB-CG 4.45Å; L106-L131 HydrophobicContact CD2-CD1 4.31Å; L106-L131 HydrophobicContact CD2-CG 4.34Å; L106-L131 PolarHBondContact O-N 3.3Å; L106-R132 PolarHBondContact O-N 3.02Å
107	E	98.8	Very high	96.5	Very high	42 Å²	42	36.8 Å²	36.8	20%	0.196	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.4	-177	-176.2	-175.9	-128.7	0	0	110.5	K82 S83 L84 K109 R132	K82-E107 PolarHBondContact O-N 3Å; S83-E107 WeakPolarHBondContact CA-O 3.43Å; S83-E107 PolarHBondContact OG-OE2 2.91Å; L84-E107 PolarHBondContact N-O 3.1Å; E107-K109 HydrophobicContact CG-CG 4.09Å; E107-K109 WeakPolarHBondContact OE1-CE 3.33Å; E107-K109 IonicContact OE1-NZ 3.91Å; E107-K109 PolarHBondContact OE1-NZ 2.93Å; E107-K109 WeakPolarHBondContact OE2-CE 3.35Å; E107-K109 IonicContact OE2-NZ 3.7Å; E107-R132 WeakPolarHBondContact CA-O 3.48Å; E107-R132 HydrophobicContact CG-CB 4.23Å; E107-R132 HydrophobicContact CG-CG 4.36Å; E107-R132 WeakPolarHBondContact OE1-CD 3.41Å; E107-R132 IonicContact OE1-NE 3.73Å
108	L	98.8	Very high	96.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.8	172.4	177	57.6	0	0	0	108.8	L84 L86 F99 L105 M110 F124 L127 L130 R132 L133 D134	L84-L108 HydrophobicContact CB-CD1 4.19Å; L84-L108 HydrophobicContact CD2-CD1 3.94Å; L84-L108 HydrophobicContact CG-CD1 4.06Å; L84-L108 WeakPolarHBondContact O-CA 3.1Å; L86-L108 HydrophobicContact CD1-CD1 4.47Å; F99-L108 HydrophobicContact CD1-CD1 4.5Å; F99-L108 HydrophobicContact CD1-CD2 4.41Å; F99-L108 HydrophobicContact CD2-CD2 4.23Å; F99-L108 HydrophobicContact CE1-CD1 4.02Å; F99-L108 HydrophobicContact CE1-CD2 4.22Å; F99-L108 HydrophobicContact CE2-CD2 4.06Å; F99-L108 HydrophobicContact CG-CD2 4.42Å; F99-L108 HydrophobicContact CZ-CD1 4.37Å; F99-L108 HydrophobicContact CZ-CD2 4.06Å; L105-L108 HydrophobicContact CD2-CB 3.99Å; L105-L108 HydrophobicContact CD2-CD1 4.43Å; L108-M110 HydrophobicContact CD1-CG 3.99Å; L108-M110 HydrophobicContact CD1-SD 4.32Å; L108-M110 HydrophobicContact CD2-CG 4.46Å; L108-M110 HydrophobicContact CD2-SD 3.99Å; L108-M110 HydrophobicContact CG-CG 3.96Å; L108-M110 HydrophobicContact CG-SD 4.15Å; L108-F124 HydrophobicContact CD2-CD1 3.91Å; L108-F124 HydrophobicContact CD2-CE1 3.8Å; L108-L127 HydrophobicContact CD2-CD1 3.97Å; L108-L130 HydrophobicContact CB-CD1 3.83Å; L108-R132 PolarHBondContact N-O 3Å; L108-L133 HydrophobicContact CB-CD1 4.04Å; L108-L133 HydrophobicContact CD2-CD1 3.99Å; L108-L133 HydrophobicContact CG-CD1 4.03Å; L108-L133 WeakPolarHBondContact O-CA 3.27Å; L108-D134 PolarHBondContact O-N 3.27Å
109	K	98.8	Very high	96.4	Very high	57 Å²	57	43.2 Å²	43.2	25%	0.248	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.6	175.6	-45.2	-175.2	-175.8	-178.9	0	110.5	L84 L86 D87 E107 D134	L84-K109 PolarHBondContact O-N 3Å; L86-K109 PolarHBondContact N-O 3.41Å; D87-K109 WeakPolarHBondContact OD1-CB 3.29Å; D87-K109 VanDerWaalsContact OD2-CB 3.24Å; D87-K109 WeakPolarHBondContact OD2-CB 3.36Å; E107-K109 HydrophobicContact CG-CG 4.09Å; E107-K109 WeakPolarHBondContact OE1-CE 3.33Å; E107-K109 IonicContact OE1-NZ 3.91Å; E107-K109 PolarHBondContact OE1-NZ 2.93Å; E107-K109 WeakPolarHBondContact OE2-CE 3.35Å; E107-K109 IonicContact OE2-NZ 3.7Å; K109-D134 HydrophobicContact CB-CB 4.3Å; K109-D134 HydrophobicContact CG-CB 4.49Å
110	M	97.6	Very high	96.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.			trans	-134.9	22	179.4	-55.6	-173	62.3	0	0	111.6	L70 L86 D87 I91 I94 F99 L108 N113 I116 F124 D134 L135 C138	L70-M110 HydrophobicContact CD1-CE 4.41Å; L86-M110 HydrophobicContact CB-CG 4.48Å; L86-M110 HydrophobicContact CD1-CE 4.4Å; L86-M110 HydrophobicContact CD1-CG 4.43Å; D87-M110 PolarHBondContact OD1-N 3.31Å; D87-M110 VanDerWaalsContact OD1-N 3.09Å; I91-M110 HydrophobicContact CD1-CE 4.41Å; I94-M110 HydrophobicContact CD1-CE 3.45Å; I94-M110 VanDerWaalsContact CD1-CE 3.45Å; I94-M110 HydrophobicContact CG1-CE 4.4Å; F99-M110 HydrophobicContact CE2-CE 4.46Å; F99-M110 HydrophobicContact CE2-SD 3.99Å; F99-M110 HydrophobicContact CZ-CE 3.86Å; F99-M110 HydrophobicContact CZ-SD 3.57Å; F99-M110 VanDerWaalsContact CZ-SD 3.57Å; L108-M110 HydrophobicContact CD1-CG 3.99Å; L108-M110 HydrophobicContact CD1-SD 4.32Å; L108-M110 HydrophobicContact CD2-CG 4.46Å; L108-M110 HydrophobicContact CD2-SD 3.99Å; L108-M110 HydrophobicContact CG-CG 3.96Å; L108-M110 HydrophobicContact CG-SD 4.15Å; M110-N113 PolarHBondContact O-ND2 2.82Å; M110-I116 HydrophobicContact CE-CD1 4.05Å; M110-F124 HydrophobicContact SD-CE1 4.32Å; M110-D134 PolarHBondContact N-O 3.2Å; M110-L135 HydrophobicContact CB-CD2 4.21Å; M110-L135 HydrophobicContact SD-CD2 4.32Å; M110-C138 PolarHBondContact O-SG 3.23Å
111	A	98.2	Very high	96.5	Very high	5 Å²	5	44.3 Å²	44.3	4%	0.041	23%	0.225	C	C	.	.			trans	-63.9	158.1	-174.9	0	0	0	0	0	112.2	D87 H88 N113 S136	D87-A111 CarbonylContact C-O 3.18Å; D87-A111 WeakPolarHBondContact CA-O 3.28Å; D87-A111 PolarHBondContact OD1-N 2.86Å; H88-A111 PolarHBondContact N-O 2.99Å; A111-N113 VanDerWaalsContact C-N 3.31Å; A111-N113 PolarHBondContact O-N 2.9Å; A111-N113 PolarHBondContact O-ND2 3.17Å; A111-S136 CarbonylContact C-O 3.29Å; A111-S136 WeakPolarHBondContact CA-O 3.35Å
112	H	97.9	Very high	96.6	Very high	61 Å²	61	50 Å²	50	28%	0.282	24%	0.24	S	C	.	.	S	Bend	trans	55.8	44.9	178.6	-56.4	-76.9	0	0	0	112.6	H88 S136 D137	H88-H112 WeakPolarHBondContact CA-O 3.1Å; H88-H112 HydrophobicContact CB-CB 4.42Å; H88-H112 AromaticContact CD2-CD2 3.96Å; H88-H112 AromaticContact CD2-CG 3.77Å; H88-H112 AromaticContact CE1-CD2 3.21Å; H88-H112 PolarHBondContact CE1-CD2 3.29Å; H88-H112 AromaticContact CE1-CG 3.81Å; H88-H112 AromaticContact CE1-NE2 3.9Å; H88-H112 AromaticContact ND1-CD2 3.85Å; H88-H112 AromaticContact NE2-CD2 3.32Å; H88-H112 PolarHBondContact NE2-CD2 3.49Å; H88-H112 VanDerWaalsContact NE2-CD2 3.32Å; H88-H112 AromaticContact NE2-CG 3.54Å; H88-H112 AromaticContact NE2-NE2 3.84Å; H112-S136 PolarHBondContact N-O 3.39Å; H112-D137 VanDerWaalsContact CA-O 3.3Å; H112-D137 WeakPolarHBondContact CA-O 3.33Å; H112-D137 IonicContact CE1-OD2 3.73Å; H112-D137 PolarHBondContact CE1-OD2 2.77Å; H112-D137 IonicContact CG-OD2 3.73Å; H112-D137 PolarHBondContact N-O 3.28Å; H112-D137 IonicContact ND1-OD2 3.68Å; H112-D137 PolarHBondContact ND1-OD2 3.25Å
113	N	97.8	Very high	96.6	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.			trans	-116.6	70.9	169.2	-79.9	-83.5	0	0	0	108.4	L86 N89 I91 M110 A111 Y115 I116 D137 C138	L86-N113 PolarHBondContact O-ND2 3.2Å; N89-N113 VanDerWaalsContact CA-OD1 3.3Å; N89-N113 WeakPolarHBondContact CA-OD1 3.36Å; N89-N113 WeakPolarHBondContact CB-OD1 3.48Å; N89-N113 PolarHBondContact N-OD1 3.08Å; N89-N113 PolarHBondContact O-OD1 3.05Å; I91-N113 HydrophobicContact CB-CB 4.39Å; I91-N113 WeakPolarHBondContact CB-OD1 3.19Å; I91-N113 WeakPolarHBondContact CG1-OD1 3.09Å; I91-N113 PolarHBondContact N-OD1 2.98Å; I91-N113 VanDerWaalsContact N-OD1 3.09Å; M110-N113 PolarHBondContact O-ND2 2.82Å; A111-N113 VanDerWaalsContact C-N 3.31Å; A111-N113 PolarHBondContact O-N 2.9Å; A111-N113 PolarHBondContact O-ND2 3.17Å; N113-Y115 PolarHBondContact O-N 3.33Å; N113-I116 HydrophobicContact CB-CD1 3.41Å; N113-I116 VanDerWaalsContact CB-CD1 3.41Å; N113-I116 HydrophobicContact CB-CG1 3.76Å; N113-I116 WeakPolarHBondContact O-CG1 3Å; N113-I116 PolarHBondContact O-N 2.82Å; N113-D137 PolarHBondContact N-O 3.35Å; N113-C138 WeakPolarHBondContact O-CA 3.23Å
114	E	95.5	Very high	96.8	Very high	112 Å²	112	47 Å²	47	52%	0.523	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-10	-170.8	-60.6	176.7	-175.8	0	0	114.9	N139	E114-N139 WeakPolarHBondContact O-CB 3.47Å; E114-N139 PolarHBondContact O-ND2 3.15Å
115	Y	95.8	Very high	96.7	Very high	131 Å²	131	46.8 Å²	46.8	51%	0.514	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.7	176.6	-58.6	-84	0	0	0	113.3	N90 I91 N113 S117	N90-Y115 HydrophobicContact CB-CD2 4.42Å; N90-Y115 HydrophobicContact CB-CE2 4.49Å; N90-Y115 WeakPolarHBondContact OD1-CE2 3.16Å; I91-Y115 CarbonylContact O-C 3.57Å; I91-Y115 WeakPolarHBondContact O-CB 3.22Å; N113-Y115 PolarHBondContact O-N 3.33Å; Y115-S117 VanDerWaalsContact C-N 3.32Å; Y115-S117 PolarHBondContact O-N 3.49Å
116	I	95	Very high	96.4	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	23%	0.23	C	C	.	.			trans	-78.5	78.6	177.2	-55.8	176.7	0	0	0	110	I91 I94 M110 N113 Y118 L119 C138 L140	I91-I116 HydrophobicContact CB-CD1 4.26Å; I91-I116 HydrophobicContact CB-CG1 4.28Å; I91-I116 HydrophobicContact CG2-CD1 4.17Å; I91-I116 HydrophobicContact CG2-CG1 4.16Å; I91-I116 WeakPolarHBondContact O-CG1 3.14Å; I91-I116 PolarHBondContact O-N 3.07Å; I94-I116 HydrophobicContact CD1-CD1 4.09Å; I94-I116 HydrophobicContact CD1-CG2 4.41Å; M110-I116 HydrophobicContact CE-CD1 4.05Å; N113-I116 HydrophobicContact CB-CD1 3.41Å; N113-I116 VanDerWaalsContact CB-CD1 3.41Å; N113-I116 HydrophobicContact CB-CG1 3.76Å; N113-I116 WeakPolarHBondContact O-CG1 3Å; N113-I116 PolarHBondContact O-N 2.82Å; I116-Y118 VanDerWaalsContact C-N 3.32Å; I116-Y118 PolarHBondContact O-N 3.33Å; I116-L119 HydrophobicContact CG2-CD2 3.7Å; I116-L119 HydrophobicContact CG2-CG 4.25Å; I116-C138 CarbonylContact C-O 3.11Å; I116-C138 VanDerWaalsContact C-O 3.27Å; I116-C138 HydrophobicContact CB-CB 4.22Å; I116-L140 HydrophobicContact CG2-CD2 4.09Å; I116-L140 WeakPolarHBondContact O-CD2 3.08Å
117	S	90.1	Very high	96.3	Very high	72 Å²	72	45 Å²	45	50%	0.503	22%	0.216	S	C	.	.			trans	-78.8	-15.9	177.1	65.6	0	0	0	0	114	Y115	Y115-S117 VanDerWaalsContact C-N 3.32Å; Y115-S117 PolarHBondContact O-N 3.49Å
118	Y	93.4	Very high	96.2	Very high	142 Å²	142	49.1 Å²	49.1	56%	0.557	23%	0.233	S	C	*	.			trans	-148.3	138.8	-173.8	175.4	-96.2	0	0	0	112	I116 H120	I116-Y118 VanDerWaalsContact C-N 3.32Å; I116-Y118 PolarHBondContact O-N 3.33Å; Y118-H120 HydrophobicContact CE1-CB 4.12Å
119	L	96.5	Very high	96.2	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	25%	0.254	C	S	.	.			trans	-115.8	139.9	169.3	-63.4	173.2	0	0	0	109	I94 I116 T123 F124 L135 L140 P144 I147	I94-L119 HydrophobicContact CD1-CD2 3.88Å; I116-L119 HydrophobicContact CG2-CD2 3.7Å; I116-L119 HydrophobicContact CG2-CG 4.25Å; L119-T123 HydrophobicContact CD2-CG2 4.34Å; L119-F124 HydrophobicContact CD1-CE2 4.34Å; L119-F124 HydrophobicContact CD1-CZ 4.32Å; L119-L135 HydrophobicContact CD1-CD1 3.88Å; L119-L135 HydrophobicContact CD1-CD2 4.48Å; L119-L140 HydrophobicContact CD1-CD1 4.19Å; L119-L140 HydrophobicContact CD1-CD2 4.16Å; L119-L140 HydrophobicContact CG-CD2 4.02Å; L119-P144 WeakPolarHBondContact O-CG 3.1Å; L119-I147 HydrophobicContact CB-CD1 3.75Å; L119-I147 HydrophobicContact CD1-CD1 4.22Å
120	H	96.7	Very high	96.1	Very high	51 Å²	51	51.4 Å²	51.4	24%	0.236	24%	0.243	C	C	.	.			trans	-83.5	148.9	171.3	-169.4	-62.7	0	0	0	110.1	P96 Y118 R122 T123 I147	P96-H120 HydrophobicContact CG-CB 4.22Å; P96-H120 VanDerWaalsContact CG-CD2 3.49Å; P96-H120 WeakPolarHBondContact CG-CD2 3.25Å; Y118-H120 HydrophobicContact CE1-CB 4.12Å; H120-R122 PolarHBondContact ND1-N 3.44Å; H120-R122 VanDerWaalsContact ND1-N 3.14Å; H120-R122 PolarHBondContact O-N 3.28Å; H120-T123 PolarHBondContact N-OG1 3.29Å; H120-T123 WeakPolarHBondContact O-CB 3.39Å; H120-T123 PolarHBondContact O-N 3.06Å; H120-T123 PolarHBondContact O-OG1 2.8Å; H120-I147 WeakPolarHBondContact O-CD1 2.97Å
121	T	96.6	Very high	96.2	Very high	60 Å²	60	54.6 Å²	54.6	37%	0.368	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-13.3	174.7	53.6	0	0	0	0	115.9	P144	T121-P144 HydrophobicContact CG2-CB 3.65Å
122	R	96.1	Very high	96.2	Very high	141 Å²	141	57.9 Å²	57.9	53%	0.532	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	12.1	-179.3	-66.2	-174.1	-64.3	168.8	-1.1	112.3	P96 G97 H120 F124 T125	P96-R122 HydrophobicContact CB-CB 4.09Å; G97-R122 PolarHBondContact N-O 3.31Å; H120-R122 PolarHBondContact ND1-N 3.44Å; H120-R122 VanDerWaalsContact ND1-N 3.14Å; H120-R122 PolarHBondContact O-N 3.28Å; R122-F124 VanDerWaalsContact C-N 3.35Å; R122-F124 PolarHBondContact O-N 3.41Å; R122-T125 VanDerWaalsContact CA-OG1 3.27Å; R122-T125 WeakPolarHBondContact CA-OG1 3.46Å; R122-T125 WeakPolarHBondContact CB-OG1 3.46Å; R122-T125 PolarHBondContact O-N 3Å; R122-T125 PolarHBondContact O-OG1 3.23Å
123	T	97.1	Very high	96.3	Very high	1 Å²	1	55 Å²	55	1%	0.006	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-49	-179.9	-66.4	0	0	0	0	110.5	I94 F99 L119 H120	I94-T123 HydrophobicContact CG2-CG2 3.84Å; F99-T123 HydrophobicContact CD2-CG2 4.23Å; F99-T123 WeakPolarHBondContact CD2-O 3.45Å; F99-T123 HydrophobicContact CE2-CG2 3.88Å; L119-T123 HydrophobicContact CD2-CG2 4.34Å; H120-T123 PolarHBondContact N-OG1 3.29Å; H120-T123 WeakPolarHBondContact O-CB 3.39Å; H120-T123 PolarHBondContact O-N 3.06Å; H120-T123 PolarHBondContact O-OG1 2.8Å
124	F	97.2	Very high	96.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	14.8	-176.6	-52.1	-56.3	0	0	0	114.5	F99 L108 M110 L119 R122 G126 L127 L133 L135 I147 F148 Q151	F99-F124 HydrophobicContact CD2-CD1 4.2Å; F99-F124 HydrophobicContact CE2-CD1 4.32Å; F99-F124 HydrophobicContact CE2-CE1 4.2Å; L108-F124 HydrophobicContact CD2-CD1 3.91Å; L108-F124 HydrophobicContact CD2-CE1 3.8Å; M110-F124 HydrophobicContact SD-CE1 4.32Å; L119-F124 HydrophobicContact CD1-CE2 4.34Å; L119-F124 HydrophobicContact CD1-CZ 4.32Å; R122-F124 VanDerWaalsContact C-N 3.35Å; R122-F124 PolarHBondContact O-N 3.41Å; F124-G126 PolarHBondContact O-N 3.25Å; F124-L127 HydrophobicContact CB-CD1 4.15Å; F124-L127 HydrophobicContact CD1-CD1 4.11Å; F124-L127 WeakPolarHBondContact O-CB 3.43Å; F124-L127 WeakPolarHBondContact O-CG 3.25Å; F124-L127 PolarHBondContact O-N 2.91Å; F124-L133 HydrophobicContact CD2-CD2 4.21Å; F124-L133 HydrophobicContact CE1-CD1 4.01Å; F124-L133 HydrophobicContact CE1-CD2 4.36Å; F124-L133 HydrophobicContact CE2-CD2 3.81Å; F124-L133 HydrophobicContact CZ-CD1 4.15Å; F124-L133 HydrophobicContact CZ-CD2 3.91Å; F124-L135 HydrophobicContact CE2-CD1 4.25Å; F124-L135 HydrophobicContact CZ-CD1 4.05Å; F124-L135 HydrophobicContact CZ-CD2 4.02Å; F124-I147 HydrophobicContact CD2-CD1 3.85Å; F124-I147 HydrophobicContact CD2-CG1 3.81Å; F124-I147 HydrophobicContact CE2-CD1 3.67Å; F124-I147 HydrophobicContact CE2-CG1 4.15Å; F124-F148 HydrophobicContact CD2-CD1 4.07Å; F124-F148 AromaticContact CD2-CE1 3.68Å; F124-F148 HydrophobicContact CD2-CE1 3.68Å; F124-F148 AromaticContact CE2-CE1 3.74Å; F124-F148 HydrophobicContact CE2-CE1 3.74Å; F124-Q151 PolarHBondContact O-NE2 2.93Å
125	T	94.8	Very high	96.5	Very high	45 Å²	45	50.3 Å²	50.3	28%	0.276	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	133	178.5	-61.3	0	0	0	0	111.4	R122	R122-T125 VanDerWaalsContact CA-OG1 3.27Å; R122-T125 WeakPolarHBondContact CA-OG1 3.46Å; R122-T125 WeakPolarHBondContact CB-OG1 3.46Å; R122-T125 PolarHBondContact O-N 3Å; R122-T125 PolarHBondContact O-OG1 3.23Å
126	G	93.3	Very high	96.6	Very high	22 Å²	22	44.1 Å²	44.1	23%	0.227	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	-12.2	-179.2	0	0	0	0	0	114.8	F124 K128 E150	F124-G126 PolarHBondContact O-N 3.25Å; G126-K128 PolarHBondContact O-N 3.34Å; G126-E150 WeakPolarHBondContact CA-OE2 3.29Å; G126-E150 PolarHBondContact N-OE2 2.91Å
127	L	97.3	Very high	96.7	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.216	C	C	.	.			trans	-85	58.8	-179.6	-53.4	-176.8	0	0	0	111.7	F99 L102 L105 L108 F124 K129 L130 Q151	F99-L127 HydrophobicContact CB-CD1 3.95Å; F99-L127 HydrophobicContact CB-CD2 4Å; F99-L127 HydrophobicContact CB-CG 4.2Å; F99-L127 HydrophobicContact CG-CD1 4.33Å; L102-L127 HydrophobicContact CB-CD2 3.82Å; L102-L127 WeakPolarHBondContact O-CD2 3.37Å; L105-L127 HydrophobicContact CB-CD2 4.15Å; L105-L127 HydrophobicContact CD2-CD1 4.28Å; L105-L127 HydrophobicContact CD2-CD2 4.01Å; L108-L127 HydrophobicContact CD2-CD1 3.97Å; F124-L127 HydrophobicContact CB-CD1 4.15Å; F124-L127 HydrophobicContact CD1-CD1 4.11Å; F124-L127 WeakPolarHBondContact O-CB 3.43Å; F124-L127 WeakPolarHBondContact O-CG 3.25Å; F124-L127 PolarHBondContact O-N 2.91Å; L127-K129 VanDerWaalsContact C-N 3.28Å; L127-K129 PolarHBondContact O-N 2.95Å; L127-L130 HydrophobicContact CB-CB 4.12Å; L127-L130 HydrophobicContact CB-CD2 4.4Å; L127-L130 HydrophobicContact CD1-CD2 4.23Å; L127-L130 WeakPolarHBondContact O-CB 3.47Å; L127-L130 PolarHBondContact O-N 3.39Å; L127-Q151 PolarHBondContact O-NE2 3.35Å
128	K	95.6	Very high	97	Very high	128 Å²	128	41.5 Å²	41.5	56%	0.557	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-21.6	-171.8	-62.3	-174.8	179.1	-172.5	0	114.6	G126 E150	G126-K128 PolarHBondContact O-N 3.34Å; K128-E150 HydrophobicContact CG-CB 4.41Å
129	K	97.9	Very high	97.2	Very high	105 Å²	105	37.9 Å²	37.9	46%	0.457	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	6.8	179.7	-63.7	-168.5	-179.8	174.9	0	113.2	N104 L105 L106 L127 L131	N104-K129 WeakPolarHBondContact OD1-CE 3.43Å; N104-K129 PolarHBondContact OD1-NZ 2.94Å; L105-K129 CarbonylContact O-C 3.57Å; L106-K129 HydrophobicContact CD2-CB 3.95Å; L106-K129 WeakPolarHBondContact CD2-O 3.2Å; L127-K129 VanDerWaalsContact C-N 3.28Å; L127-K129 PolarHBondContact O-N 2.95Å; K129-L131 WeakPolarHBondContact O-CG 3.19Å; K129-L131 PolarHBondContact O-N 2.9Å
130	L	98.6	Very high	97.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.182	C	C	.	.			trans	-63.5	120.6	-177.8	-165.7	69.5	0	0	0	109.2	L105 L108 L127 L133 Q151 A153 M154	L105-L130 HydrophobicContact CD2-CD1 4.26Å; L105-L130 HydrophobicContact CG-CD1 4.36Å; L105-L130 WeakPolarHBondContact O-CA 3.31Å; L105-L130 PolarHBondContact O-N 3.1Å; L108-L130 HydrophobicContact CB-CD1 3.83Å; L127-L130 HydrophobicContact CB-CB 4.12Å; L127-L130 HydrophobicContact CB-CD2 4.4Å; L127-L130 HydrophobicContact CD1-CD2 4.23Å; L127-L130 WeakPolarHBondContact O-CB 3.47Å; L127-L130 PolarHBondContact O-N 3.39Å; L130-L133 HydrophobicContact CD2-CB 4.09Å; L130-L133 HydrophobicContact CD2-CD1 4.39Å; L130-Q151 HydrophobicContact CB-CG 4.17Å; L130-Q151 HydrophobicContact CD2-CG 4.02Å; L130-A153 CarbonylContact O-C 3.6Å; L130-M154 HydrophobicContact CD2-CE 4.09Å; L130-M154 WeakPolarHBondContact O-CA 3.27Å; L130-M154 PolarHBondContact O-N 3.41Å
131	L	98.8	Very high	97.2	Very high	68 Å²	68	40.6 Å²	40.6	36%	0.356	19%	0.194	S	C	.	.			trans	-99.1	-41.3	178.9	-57.7	-178.1	0	0	0	110.5	L106 K129 A153 T155 E156	L106-L131 HydrophobicContact CB-CD1 4.42Å; L106-L131 HydrophobicContact CB-CG 4.45Å; L106-L131 HydrophobicContact CD2-CD1 4.31Å; L106-L131 HydrophobicContact CD2-CG 4.34Å; L106-L131 PolarHBondContact O-N 3.3Å; K129-L131 WeakPolarHBondContact O-CG 3.19Å; K129-L131 PolarHBondContact O-N 2.9Å; L131-A153 HydrophobicContact CD2-CB 3.97Å; L131-A153 WeakPolarHBondContact CD2-O 3.4Å; L131-T155 PolarHBondContact O-N 3.12Å; L131-T155 PolarHBondContact O-OG1 3.49Å; L131-E156 PolarHBondContact O-N 2.91Å
132	R	98.9	Very high	97.2	Very high	73 Å²	73	41.3 Å²	41.3	28%	0.275	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.6	-176	-177.6	179.1	175.4	136.4	-6.9	111.2	L106 E107 L108 E156 L158	L106-R132 PolarHBondContact O-N 3.02Å; E107-R132 WeakPolarHBondContact CA-O 3.48Å; E107-R132 HydrophobicContact CG-CB 4.23Å; E107-R132 HydrophobicContact CG-CG 4.36Å; E107-R132 WeakPolarHBondContact OE1-CD 3.41Å; E107-R132 IonicContact OE1-NE 3.73Å; L108-R132 PolarHBondContact N-O 3Å; R132-E156 WeakPolarHBondContact CA-O 3.27Å; R132-E156 HydrophobicContact CB-CB 4.38Å; R132-E156 WeakPolarHBondContact CD-OE2 3.47Å; R132-E156 HydrophobicContact CG-CB 4.22Å; R132-E156 HydrophobicContact CG-CG 4.26Å; R132-E156 IonicContact CZ-OE1 2.95Å; R132-E156 IonicContact CZ-OE2 3.88Å; R132-E156 IonicContact NE-OE2 3.73Å; R132-E156 PolarHBondContact NE-OE2 3.25Å; R132-E156 IonicContact NH1-OE1 3.5Å; R132-E156 PolarHBondContact NH1-OE1 3.13Å; R132-E156 IonicContact NH1-OE2 3.9Å; R132-E156 PolarHBondContact NH1-OE2 3.5Å; R132-L158 HydrophobicContact CG-CD1 4.02Å
133	L	98.8	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125.5	175	177.1	60.4	0	0	0	110	L108 F124 L130 L135 F148 M154 E156 L157 L158	L108-L133 HydrophobicContact CB-CD1 4.04Å; L108-L133 HydrophobicContact CD2-CD1 3.99Å; L108-L133 HydrophobicContact CG-CD1 4.03Å; L108-L133 WeakPolarHBondContact O-CA 3.27Å; F124-L133 HydrophobicContact CD2-CD2 4.21Å; F124-L133 HydrophobicContact CE1-CD1 4.01Å; F124-L133 HydrophobicContact CE1-CD2 4.36Å; F124-L133 HydrophobicContact CE2-CD2 3.81Å; F124-L133 HydrophobicContact CZ-CD1 4.15Å; F124-L133 HydrophobicContact CZ-CD2 3.91Å; L130-L133 HydrophobicContact CD2-CB 4.09Å; L130-L133 HydrophobicContact CD2-CD1 4.39Å; L133-L135 HydrophobicContact CD1-CD2 4.23Å; L133-L135 HydrophobicContact CD1-CG 4.13Å; L133-L135 HydrophobicContact CD2-CD1 3.89Å; L133-L135 HydrophobicContact CD2-CG 4.23Å; L133-L135 HydrophobicContact CG-CD1 4.21Å; L133-L135 HydrophobicContact CG-CG 3.98Å; L133-F148 HydrophobicContact CD2-CD1 4.42Å; L133-F148 HydrophobicContact CD2-CE1 3.46Å; L133-F148 VanDerWaalsContact CD2-CE1 3.46Å; L133-F148 HydrophobicContact CD2-CZ 3.98Å; L133-M154 HydrophobicContact CB-CE 3.92Å; L133-M154 HydrophobicContact CB-SD 4.22Å; L133-M154 HydrophobicContact CD2-CE 3.88Å; L133-E156 PolarHBondContact N-O 3.03Å; L133-L157 HydrophobicContact CB-CD1 4.11Å; L133-L157 HydrophobicContact CD2-CD1 4.03Å; L133-L157 HydrophobicContact CG-CD1 4.13Å; L133-L158 PolarHBondContact O-N 3.08Å
134	D	98.8	Very high	97.2	Very high	15 Å²	15	36.1 Å²	36.1	8%	0.08	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113.6	175.8	-163.9	-17	0	0	0	111	L108 K109 M110 S136 L158	L108-D134 PolarHBondContact O-N 3.27Å; K109-D134 HydrophobicContact CB-CB 4.3Å; K109-D134 HydrophobicContact CG-CB 4.49Å; M110-D134 PolarHBondContact N-O 3.2Å; D134-S136 WeakPolarHBondContact OD1-CB 3.42Å; D134-S136 PolarHBondContact OD1-N 3.11Å; D134-S136 PolarHBondContact OD1-OG 2.9Å; D134-L158 HydrophobicContact CB-CB 4.3Å; D134-L158 HydrophobicContact CB-CD1 4.26Å
135	L	98.3	Very high	97.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.			trans	-122	26.7	176.6	-63.4	174.3	0	0	0	111	M110 L119 F124 L133 C138 L140 L158 N162	M110-L135 HydrophobicContact CB-CD2 4.21Å; M110-L135 HydrophobicContact SD-CD2 4.32Å; L119-L135 HydrophobicContact CD1-CD1 3.88Å; L119-L135 HydrophobicContact CD1-CD2 4.48Å; F124-L135 HydrophobicContact CE2-CD1 4.25Å; F124-L135 HydrophobicContact CZ-CD1 4.05Å; F124-L135 HydrophobicContact CZ-CD2 4.02Å; L133-L135 HydrophobicContact CD1-CD2 4.23Å; L133-L135 HydrophobicContact CD1-CG 4.13Å; L133-L135 HydrophobicContact CD2-CD1 3.89Å; L133-L135 HydrophobicContact CD2-CG 4.23Å; L133-L135 HydrophobicContact CG-CD1 4.21Å; L133-L135 HydrophobicContact CG-CG 3.98Å; L135-C138 PolarHBondContact O-SG 2.98Å; L135-L140 HydrophobicContact CB-CD1 4.08Å; L135-L140 HydrophobicContact CD1-CD1 4.48Å; L135-L158 PolarHBondContact N-O 3.02Å; L135-N162 PolarHBondContact O-ND2 2.89Å
136	S	98.4	Very high	97	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	145.9	-176.5	-46.2	0	0	0	0	110.7	A111 H112 D134 C138 L158 F160	A111-S136 CarbonylContact C-O 3.29Å; A111-S136 WeakPolarHBondContact CA-O 3.35Å; H112-S136 PolarHBondContact N-O 3.39Å; D134-S136 WeakPolarHBondContact OD1-CB 3.42Å; D134-S136 PolarHBondContact OD1-N 3.11Å; D134-S136 PolarHBondContact OD1-OG 2.9Å; S136-C138 VanDerWaalsContact C-N 3.31Å; S136-C138 PolarHBondContact O-N 2.98Å; S136-C138 PolarHBondContact O-SG 2.73Å; S136-L158 WeakPolarHBondContact OG-CB 3.24Å; S136-F160 VanDerWaalsContact CA-O 3.29Å; S136-F160 WeakPolarHBondContact CA-O 3.35Å; S136-F160 VanDerWaalsContact CB-CE1 3.47Å; S136-F160 VanDerWaalsContact CB-CZ 3.45Å; S136-F160 WeakPolarHBondContact CB-O 3.15Å; S136-F160 WeakPolarHBondContact OG-CD1 3.44Å; S136-F160 WeakPolarHBondContact OG-CE1 3.45Å
137	D	97.8	Very high	97.2	Very high	19 Å²	19	47.8 Å²	47.8	10%	0.102	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	45.7	177.7	-156.9	30.2	0	0	0	113.8	H112 N113 F160 Q161	H112-D137 VanDerWaalsContact CA-O 3.3Å; H112-D137 WeakPolarHBondContact CA-O 3.33Å; H112-D137 IonicContact CE1-OD2 3.73Å; H112-D137 PolarHBondContact CE1-OD2 2.77Å; H112-D137 IonicContact CG-OD2 3.73Å; H112-D137 PolarHBondContact N-O 3.28Å; H112-D137 IonicContact ND1-OD2 3.68Å; H112-D137 PolarHBondContact ND1-OD2 3.25Å; N113-D137 PolarHBondContact N-O 3.35Å; D137-F160 PolarHBondContact N-O 3.29Å; D137-Q161 VanDerWaalsContact CA-O 3.3Å; D137-Q161 WeakPolarHBondContact CA-O 3.17Å; D137-Q161 HydrophobicContact CB-CB 4.32Å; D137-Q161 HydrophobicContact CB-CG 4.33Å; D137-Q161 PolarHBondContact N-O 2.91Å; D137-Q161 PolarHBondContact OD1-NE2 3.08Å; D137-Q161 PolarHBondContact OD2-NE2 3.05Å; D137-Q161 VanDerWaalsContact OD2-NE2 3.14Å
138	C	96.6	Very high	97.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-106.7	3.4	-180	-74	0	0	0	0	112.9	M110 N113 I116 L135 S136 L140 N162	M110-C138 PolarHBondContact O-SG 3.23Å; N113-C138 WeakPolarHBondContact O-CA 3.23Å; I116-C138 CarbonylContact C-O 3.11Å; I116-C138 VanDerWaalsContact C-O 3.27Å; I116-C138 HydrophobicContact CB-CB 4.22Å; L135-C138 PolarHBondContact O-SG 2.98Å; S136-C138 VanDerWaalsContact C-N 3.31Å; S136-C138 PolarHBondContact O-N 2.98Å; S136-C138 PolarHBondContact O-SG 2.73Å; C138-L140 HydrophobicContact CB-CD1 3.84Å; C138-L140 HydrophobicContact CB-CG 3.8Å; C138-L140 PolarHBondContact O-N 2.97Å; C138-N162 PolarHBondContact N-OD1 2.83Å; C138-N162 VanDerWaalsContact N-OD1 3.09Å
139	N	96.6	Very high	97.1	Very high	65 Å²	65	48 Å²	48	35%	0.348	23%	0.231	S	C	.	.			trans	60.8	26.4	-174.5	-165.9	29.1	0	0	0	113.9	E114 F141 N162 N163	E114-N139 WeakPolarHBondContact O-CB 3.47Å; E114-N139 PolarHBondContact O-ND2 3.15Å; N139-F141 WeakPolarHBondContact O-CD2 3.36Å; N139-F141 VanDerWaalsContact O-CE2 3.26Å; N139-F141 WeakPolarHBondContact O-CE2 3.36Å; N139-N162 PolarHBondContact N-OD1 3.33Å; N139-N162 VanDerWaalsContact N-OD1 3.15Å; N139-N163 PolarHBondContact OD1-ND2 2.81Å
140	L	97.1	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.			trans	-74.3	136.8	-177.8	-68.3	166.3	0	0	0	112	I116 L119 L135 C138 N162 N163 F164	I116-L140 HydrophobicContact CG2-CD2 4.09Å; I116-L140 WeakPolarHBondContact O-CD2 3.08Å; L119-L140 HydrophobicContact CD1-CD1 4.19Å; L119-L140 HydrophobicContact CD1-CD2 4.16Å; L119-L140 HydrophobicContact CG-CD2 4.02Å; L135-L140 HydrophobicContact CB-CD1 4.08Å; L135-L140 HydrophobicContact CD1-CD1 4.48Å; C138-L140 HydrophobicContact CB-CD1 3.84Å; C138-L140 HydrophobicContact CB-CG 3.8Å; C138-L140 PolarHBondContact O-N 2.97Å; L140-N162 HydrophobicContact CB-CB 4.37Å; L140-N162 WeakPolarHBondContact CB-OD1 3.42Å; L140-N162 PolarHBondContact N-OD1 3Å; L140-N163 CarbonylContact O-C 3.49Å; L140-N163 VanDerWaalsContact O-CA 3.31Å; L140-N163 WeakPolarHBondContact O-CA 3.08Å; L140-N163 WeakPolarHBondContact O-CB 3.48Å; L140-N163 PolarHBondContact O-N 3.41Å; L140-F164 HydrophobicContact CB-CE1 3.72Å; L140-F164 HydrophobicContact CB-CE2 4.44Å; L140-F164 HydrophobicContact CB-CZ 3.52Å; L140-F164 HydrophobicContact CD1-CZ 4.1Å; L140-F164 HydrophobicContact CG-CZ 4.46Å
141	F	97.1	Very high	96.9	Very high	110 Å²	110	46.1 Å²	46.1	48%	0.482	22%	0.224	S	C	.	.	S	Bend	trans	-102.4	-23.3	174.4	-62.7	-92.7	0	0	0	113.1	N139 N163 F164	N139-F141 WeakPolarHBondContact O-CD2 3.36Å; N139-F141 VanDerWaalsContact O-CE2 3.26Å; N139-F141 WeakPolarHBondContact O-CE2 3.36Å; F141-N163 HydrophobicContact CD1-CB 3.36Å; F141-N163 HydrophobicContact CD2-CB 4.49Å; F141-N163 HydrophobicContact CE1-CB 3.4Å; F141-N163 VanDerWaalsContact CE1-CB 3.4Å; F141-N163 HydrophobicContact CG-CB 3.95Å; F141-N163 HydrophobicContact CZ-CB 4.01Å; F141-F164 WeakPolarHBondContact O-CD1 3.29Å
142	S	96.7	Very high	96.7	Very high	76 Å²	76	47.6 Å²	47.6	53%	0.531	24%	0.236	S	C	.	.			trans	-157.7	152.5	179.5	62.3	0	0	0	0	110.4
143	I	96.8	Very high	96.6	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.036	23%	0.234	C	C	.	.			trans	-108	127.2	167.1	-58.6	-178.6	0	0	0	107.1	D145 I147 F148 F164 P168 A170	I143-D145 PolarHBondContact O-N 2.94Å; I143-I147 HydrophobicContact CG2-CB 4.45Å; I143-I147 HydrophobicContact CG2-CG2 3.35Å; I143-F148 HydrophobicContact CD1-CE2 4.42Å; I143-F148 HydrophobicContact CD1-CZ 4.36Å; I143-F148 HydrophobicContact CG2-CE2 4.02Å; I143-F148 HydrophobicContact CG2-CZ 4.08Å; I143-F164 HydrophobicContact CD1-CE1 4.42Å; I143-F164 HydrophobicContact CD1-CZ 3.97Å; I143-F164 HydrophobicContact CG1-CE1 3.77Å; I143-F164 HydrophobicContact CG1-CZ 3.74Å; I143-P168 HydrophobicContact CB-CB 4.01Å; I143-P168 HydrophobicContact CD1-CB 4.03Å; I143-P168 HydrophobicContact CD1-CG 4Å; I143-P168 HydrophobicContact CG1-CB 4.13Å; I143-P168 HydrophobicContact CG1-CG 4.27Å; I143-A170 HydrophobicContact CB-CB 4.3Å; I143-A170 HydrophobicContact CG2-CB 3.76Å
144	P	96.8	Very high	96.6	Very high	25 Å²	25	45.4 Å²	45.4	16%	0.162	23%	0.234	C	C	.	.			trans	-58.4	139	179	-19.1	26.3	0	0	0	112.2	L119 T121 R146 I147	L119-P144 WeakPolarHBondContact O-CG 3.1Å; T121-P144 HydrophobicContact CG2-CB 3.65Å; P144-R146 PolarHBondContact O-N 3.32Å; P144-I147 WeakPolarHBondContact O-CB 3.4Å; P144-I147 WeakPolarHBondContact O-CG2 3.33Å; P144-I147 PolarHBondContact O-N 3.47Å
145	D	93.6	Very high	96.6	Very high	112 Å²	112	47 Å²	47	60%	0.599	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	142.9	171.1	-64.8	-19.9	0	0	0	110.2	I143 I147	I143-D145 PolarHBondContact O-N 2.94Å; D145-I147 PolarHBondContact O-N 3.28Å
146	R	93.9	Very high	96.6	Very high	198 Å²	198	48.5 Å²	48.5	75%	0.747	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	5.6	179.9	-45.2	179	-179.9	-168	-1.5	116.2	P144 F148 I149	P144-R146 PolarHBondContact O-N 3.32Å; R146-F148 PolarHBondContact O-N 3.49Å; R146-I149 WeakPolarHBondContact O-CB 3.15Å; R146-I149 WeakPolarHBondContact O-CG2 3.4Å; R146-I149 PolarHBondContact O-N 3.44Å
147	I	97.4	Very high	96.6	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.015	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.6	175.3	-163.5	173.5	0	0	0	112.5	L119 H120 F124 I143 P144 D145 Q151 A170	L119-I147 HydrophobicContact CB-CD1 3.75Å; L119-I147 HydrophobicContact CD1-CD1 4.22Å; H120-I147 WeakPolarHBondContact O-CD1 2.97Å; F124-I147 HydrophobicContact CD2-CD1 3.85Å; F124-I147 HydrophobicContact CD2-CG1 3.81Å; F124-I147 HydrophobicContact CE2-CD1 3.67Å; F124-I147 HydrophobicContact CE2-CG1 4.15Å; I143-I147 HydrophobicContact CG2-CB 4.45Å; I143-I147 HydrophobicContact CG2-CG2 3.35Å; P144-I147 WeakPolarHBondContact O-CB 3.4Å; P144-I147 WeakPolarHBondContact O-CG2 3.33Å; P144-I147 PolarHBondContact O-N 3.47Å; D145-I147 PolarHBondContact O-N 3.28Å; I147-Q151 PolarHBondContact O-OE1 3.04Å; I147-A170 HydrophobicContact CG2-CB 4.08Å
148	F	97.1	Very high	96.7	Very high	9 Å²	9	48.2 Å²	48.2	4%	0.039	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	15.6	-178.8	-56.7	-46.1	0	0	0	114.4	F124 L133 I143 R146 E150 Q151 M154 L157 A170 M174	F124-F148 HydrophobicContact CD2-CD1 4.07Å; F124-F148 AromaticContact CD2-CE1 3.68Å; F124-F148 HydrophobicContact CD2-CE1 3.68Å; F124-F148 AromaticContact CE2-CE1 3.74Å; F124-F148 HydrophobicContact CE2-CE1 3.74Å; L133-F148 HydrophobicContact CD2-CD1 4.42Å; L133-F148 HydrophobicContact CD2-CE1 3.46Å; L133-F148 VanDerWaalsContact CD2-CE1 3.46Å; L133-F148 HydrophobicContact CD2-CZ 3.98Å; I143-F148 HydrophobicContact CD1-CE2 4.42Å; I143-F148 HydrophobicContact CD1-CZ 4.36Å; I143-F148 HydrophobicContact CG2-CE2 4.02Å; I143-F148 HydrophobicContact CG2-CZ 4.08Å; R146-F148 PolarHBondContact O-N 3.49Å; F148-E150 PolarHBondContact O-N 3.21Å; F148-E150 VanDerWaalsContact O-N 3.11Å; F148-Q151 HydrophobicContact CB-CB 4.32Å; F148-Q151 PolarHBondContact O-N 3.42Å; F148-M154 HydrophobicContact CD1-CE 3.86Å; F148-M154 HydrophobicContact CE1-CE 4.08Å; F148-M154 HydrophobicContact CG-CE 4.42Å; F148-L157 HydrophobicContact CE2-CD2 4.14Å; F148-L157 HydrophobicContact CZ-CD1 4.23Å; F148-L157 HydrophobicContact CZ-CD2 4.46Å; F148-A170 HydrophobicContact CD2-CB 3.88Å; F148-A170 HydrophobicContact CE2-CB 4.02Å; F148-M174 HydrophobicContact CB-CE 4.1Å; F148-M174 HydrophobicContact CB-SD 3.97Å; F148-M174 HydrophobicContact CD2-SD 3.89Å; F148-M174 HydrophobicContact CG-CE 4.43Å; F148-M174 HydrophobicContact CG-SD 4.24Å
149	I	94	Very high	96.8	Very high	122 Å²	122	48.3 Å²	48.3	63%	0.626	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.5	-174.3	-163.1	164.4	0	0	0	113.8	R146	R146-I149 WeakPolarHBondContact O-CB 3.15Å; R146-I149 WeakPolarHBondContact O-CG2 3.4Å; R146-I149 PolarHBondContact O-N 3.44Å
150	E	95.1	Very high	96.9	Very high	64 Å²	64	47.2 Å²	47.2	30%	0.299	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-12.8	177.3	-65	-166.9	167.5	0	0	113.5	G126 K128 F148 T152	G126-E150 WeakPolarHBondContact CA-OE2 3.29Å; G126-E150 PolarHBondContact N-OE2 2.91Å; K128-E150 HydrophobicContact CG-CB 4.41Å; F148-E150 PolarHBondContact O-N 3.21Å; F148-E150 VanDerWaalsContact O-N 3.11Å; E150-T152 PolarHBondContact O-N 3.2Å
151	Q	96.9	Very high	97	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	26%	0.259	C	S	.	.			trans	-85.2	47.7	-177.4	-76.7	61.1	67	0	0	111.1	F124 L127 L130 I147 F148 A153 M154	F124-Q151 PolarHBondContact O-NE2 2.93Å; L127-Q151 PolarHBondContact O-NE2 3.35Å; L130-Q151 HydrophobicContact CB-CG 4.17Å; L130-Q151 HydrophobicContact CD2-CG 4.02Å; I147-Q151 PolarHBondContact O-OE1 3.04Å; F148-Q151 HydrophobicContact CB-CB 4.32Å; F148-Q151 PolarHBondContact O-N 3.42Å; Q151-A153 PolarHBondContact O-N 2.83Å; Q151-A153 VanDerWaalsContact O-N 3.14Å; Q151-M154 HydrophobicContact CB-CB 4.33Å; Q151-M154 HydrophobicContact CB-CE 3.72Å; Q151-M154 HydrophobicContact CG-CE 3.81Å; Q151-M154 WeakPolarHBondContact O-CB 3.47Å; Q151-M154 PolarHBondContact O-N 2.99Å; Q151-M154 VanDerWaalsContact O-N 3.09Å
152	T	94.1	Very high	97	Very high	99 Å²	99	45.8 Å²	45.8	61%	0.607	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-18.1	-175.6	58.8	0	0	0	0	113.1	E150 N176	E150-T152 PolarHBondContact O-N 3.2Å; T152-N176 PolarHBondContact O-ND2 2.96Å
153	A	97.4	Very high	97.1	Very high	27 Å²	27	43.3 Å²	43.3	22%	0.223	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-3.1	177.6	0	0	0	0	0	113.8	L130 L131 Q151 T155	L130-A153 CarbonylContact O-C 3.6Å; L131-A153 HydrophobicContact CD2-CB 3.97Å; L131-A153 WeakPolarHBondContact CD2-O 3.4Å; Q151-A153 PolarHBondContact O-N 2.83Å; Q151-A153 VanDerWaalsContact O-N 3.14Å; A153-T155 PolarHBondContact O-N 2.98Å
154	M	98.4	Very high	97.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.217	C	C	.	.			trans	-64.7	129.4	-173.3	-168.7	-176.2	-62.3	0	0	111.3	L130 L133 F148 Q151 L157 M174 N176 L177	L130-M154 HydrophobicContact CD2-CE 4.09Å; L130-M154 WeakPolarHBondContact O-CA 3.27Å; L130-M154 PolarHBondContact O-N 3.41Å; L133-M154 HydrophobicContact CB-CE 3.92Å; L133-M154 HydrophobicContact CB-SD 4.22Å; L133-M154 HydrophobicContact CD2-CE 3.88Å; F148-M154 HydrophobicContact CD1-CE 3.86Å; F148-M154 HydrophobicContact CE1-CE 4.08Å; F148-M154 HydrophobicContact CG-CE 4.42Å; Q151-M154 HydrophobicContact CB-CB 4.33Å; Q151-M154 HydrophobicContact CB-CE 3.72Å; Q151-M154 HydrophobicContact CG-CE 3.81Å; Q151-M154 WeakPolarHBondContact O-CB 3.47Å; Q151-M154 PolarHBondContact O-N 2.99Å; Q151-M154 VanDerWaalsContact O-N 3.09Å; M154-L157 HydrophobicContact SD-CB 4.15Å; M154-L157 HydrophobicContact SD-CD1 4.2Å; M154-M174 HydrophobicContact CB-CE 3.74Å; M154-M174 HydrophobicContact CE-CE 4.39Å; M154-M174 HydrophobicContact CG-CE 4.24Å; M154-M174 HydrophobicContact SD-CE 3.82Å; M154-N176 CarbonylContact O-C 3.45Å; M154-N176 VanDerWaalsContact O-C 3.29Å; M154-L177 HydrophobicContact CB-CD2 4.29Å; M154-L177 HydrophobicContact CG-CD2 3.83Å; M154-L177 PolarHBondContact O-N 3.5Å; M154-L177 HydrophobicContact SD-CD2 4.13Å
155	T	98.8	Very high	97.2	Very high	49 Å²	49	49.6 Å²	49.6	30%	0.301	24%	0.238	S	C	.	.			trans	-112.6	-27.4	-179.6	56.3	0	0	0	0	112.7	L131 A153 T178 H179	L131-T155 PolarHBondContact O-N 3.12Å; L131-T155 PolarHBondContact O-OG1 3.49Å; A153-T155 PolarHBondContact O-N 2.98Å; T155-T178 PolarHBondContact O-N 3.48Å; T155-T178 PolarHBondContact O-OG1 3.36Å; T155-H179 PolarHBondContact O-N 2.91Å
156	E	98.9	Very high	97.4	Very high	30 Å²	30	53.8 Å²	53.8	14%	0.14	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	124.6	-173.7	-174.4	174.6	-155	0	0	111	L131 R132 L133 L158 H179 Y181	L131-E156 PolarHBondContact O-N 2.91Å; R132-E156 WeakPolarHBondContact CA-O 3.27Å; R132-E156 HydrophobicContact CB-CB 4.38Å; R132-E156 WeakPolarHBondContact CD-OE2 3.47Å; R132-E156 HydrophobicContact CG-CB 4.22Å; R132-E156 HydrophobicContact CG-CG 4.26Å; R132-E156 IonicContact CZ-OE1 2.95Å; R132-E156 IonicContact CZ-OE2 3.88Å; R132-E156 IonicContact NE-OE2 3.73Å; R132-E156 PolarHBondContact NE-OE2 3.25Å; R132-E156 IonicContact NH1-OE1 3.5Å; R132-E156 PolarHBondContact NH1-OE1 3.13Å; R132-E156 IonicContact NH1-OE2 3.9Å; R132-E156 PolarHBondContact NH1-OE2 3.5Å; L133-E156 PolarHBondContact N-O 3.03Å; E156-L158 HydrophobicContact CG-CD1 3.79Å; E156-H179 WeakPolarHBondContact CA-O 3.21Å; E156-H179 HydrophobicContact CB-CB 4.4Å; E156-H179 HydrophobicContact CG-CB 4.02Å; E156-Y181 HydrophobicContact CG-CE2 3.99Å; E156-Y181 WeakPolarHBondContact OE1-CE2 3.36Å; E156-Y181 PolarHBondContact OE1-OH 3.05Å
157	L	98.8	Very high	97.6	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.5	177.3	179.2	63.6	0	0	0	110.1	L133 F148 M154 I171 L177 H179 Y181	L133-L157 HydrophobicContact CB-CD1 4.11Å; L133-L157 HydrophobicContact CD2-CD1 4.03Å; L133-L157 HydrophobicContact CG-CD1 4.13Å; F148-L157 HydrophobicContact CE2-CD2 4.14Å; F148-L157 HydrophobicContact CZ-CD1 4.23Å; F148-L157 HydrophobicContact CZ-CD2 4.46Å; M154-L157 HydrophobicContact SD-CB 4.15Å; M154-L157 HydrophobicContact SD-CD1 4.2Å; L157-I171 HydrophobicContact CD2-CG2 3.61Å; L157-L177 HydrophobicContact CB-CD2 4.26Å; L157-H179 PolarHBondContact N-O 3.02Å; L157-Y181 PolarHBondContact O-N 3.1Å
158	L	98.9	Very high	97.6	Very high	11 Å²	11	45 Å²	45	6%	0.058	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.2	175	-53.6	85.5	0	0	0	109.1	R132 L133 D134 L135 S136 E156 F160 Y181	R132-L158 HydrophobicContact CG-CD1 4.02Å; L133-L158 PolarHBondContact O-N 3.08Å; D134-L158 HydrophobicContact CB-CB 4.3Å; D134-L158 HydrophobicContact CB-CD1 4.26Å; L135-L158 PolarHBondContact N-O 3.02Å; S136-L158 WeakPolarHBondContact OG-CB 3.24Å; E156-L158 HydrophobicContact CG-CD1 3.79Å; L158-F160 HydrophobicContact CB-CD1 4.22Å; L158-F160 HydrophobicContact CB-CE1 4.17Å; L158-F160 HydrophobicContact CD2-CE1 3.98Å; L158-Y181 HydrophobicContact CB-CD2 4.47Å; L158-Y181 HydrophobicContact CD2-CD2 4.34Å; L158-Y181 HydrophobicContact CG-CD2 3.75Å; L158-Y181 HydrophobicContact CG-CE2 4.2Å; L158-Y181 HydrophobicContact CG-CG 4.37Å
159	C	98.2	Very high	97.6	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.007	23%	0.232	C	C	.	.			trans	-141.7	21.1	-175.5	-82	0	0	0	0	111.1	N162 F164 Y181 L182 N185	C159-N162 PolarHBondContact O-ND2 3.14Å; C159-N162 VanDerWaalsContact O-ND2 3.11Å; C159-F164 HydrophobicContact CB-CE2 3.88Å; C159-Y181 CarbonylContact C-O 3.22Å; C159-Y181 WeakPolarHBondContact CA-O 3.3Å; C159-Y181 PolarHBondContact N-O 2.95Å; C159-L182 HydrophobicContact CB-CD2 3.77Å; C159-N185 PolarHBondContact O-ND2 2.94Å
160	F	98.8	Very high	97.8	Very high	43 Å²	43	41.3 Å²	41.3	19%	0.189	21%	0.207	C	C	.	.			trans	-71.8	162.6	-179.1	66.4	-96.3	0	0	0	111.7	S136 D137 L158 N162 Y181 E183	S136-F160 VanDerWaalsContact CA-O 3.29Å; S136-F160 WeakPolarHBondContact CA-O 3.35Å; S136-F160 VanDerWaalsContact CB-CE1 3.47Å; S136-F160 VanDerWaalsContact CB-CZ 3.45Å; S136-F160 WeakPolarHBondContact CB-O 3.15Å; S136-F160 WeakPolarHBondContact OG-CD1 3.44Å; S136-F160 WeakPolarHBondContact OG-CE1 3.45Å; D137-F160 PolarHBondContact N-O 3.29Å; L158-F160 HydrophobicContact CB-CD1 4.22Å; L158-F160 HydrophobicContact CB-CE1 4.17Å; L158-F160 HydrophobicContact CD2-CE1 3.98Å; F160-N162 VanDerWaalsContact C-N 3.32Å; F160-N162 PolarHBondContact O-N 3.41Å; F160-N162 PolarHBondContact O-ND2 3.44Å; F160-Y181 PolarHBondContact N-O 3.23Å; F160-E183 CarbonylContact C-O 3.55Å; F160-E183 WeakPolarHBondContact CA-O 3.26Å; F160-E183 HydrophobicContact CB-CG 3.65Å; F160-E183 VanDerWaalsContact CB-O 3.28Å; F160-E183 WeakPolarHBondContact CB-O 3.17Å; F160-E183 WeakPolarHBondContact CB-OE1 3.19Å; F160-E183 HydrophobicContact CG-CG 4.37Å
161	Q	98.4	Very high	97.9	Very high	73 Å²	73	38.4 Å²	38.4	34%	0.341	19%	0.194	S	C	.	.	S	Bend	trans	56.1	43.9	179	-162.8	174.5	-45.2	0	0	112.8	D137 E183 R184	D137-Q161 VanDerWaalsContact CA-O 3.3Å; D137-Q161 WeakPolarHBondContact CA-O 3.17Å; D137-Q161 HydrophobicContact CB-CB 4.32Å; D137-Q161 HydrophobicContact CB-CG 4.33Å; D137-Q161 PolarHBondContact N-O 2.91Å; D137-Q161 PolarHBondContact OD1-NE2 3.08Å; D137-Q161 PolarHBondContact OD2-NE2 3.05Å; D137-Q161 VanDerWaalsContact OD2-NE2 3.14Å; Q161-E183 PolarHBondContact N-O 3Å; Q161-R184 VanDerWaalsContact CA-O 3.27Å; Q161-R184 WeakPolarHBondContact CA-O 3.38Å; Q161-R184 HydrophobicContact CB-CB 4.33Å
162	N	98.4	Very high	97.9	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.037	22%	0.218	C	C	.	.	S	Bend	trans	-117.1	-166	174	-81.5	-72.2	0	0	0	110	L135 C138 N139 L140 C159 F160 F164 N185	L135-N162 PolarHBondContact O-ND2 2.89Å; C138-N162 PolarHBondContact N-OD1 2.83Å; C138-N162 VanDerWaalsContact N-OD1 3.09Å; N139-N162 PolarHBondContact N-OD1 3.33Å; N139-N162 VanDerWaalsContact N-OD1 3.15Å; L140-N162 HydrophobicContact CB-CB 4.37Å; L140-N162 WeakPolarHBondContact CB-OD1 3.42Å; L140-N162 PolarHBondContact N-OD1 3Å; C159-N162 PolarHBondContact O-ND2 3.14Å; C159-N162 VanDerWaalsContact O-ND2 3.11Å; F160-N162 VanDerWaalsContact C-N 3.32Å; F160-N162 PolarHBondContact O-N 3.41Å; F160-N162 PolarHBondContact O-ND2 3.44Å; N162-F164 HydrophobicContact CB-CD2 3.75Å; N162-F164 HydrophobicContact CB-CE2 3.51Å; N162-F164 HydrophobicContact CB-CZ 4.14Å; N162-N185 WeakPolarHBondContact CA-OD1 3.37Å; N162-N185 WeakPolarHBondContact CB-OD1 3.26Å; N162-N185 PolarHBondContact N-OD1 3.42Å; N162-N185 PolarHBondContact O-OD1 3.13Å; N162-N185 VanDerWaalsContact O-OD1 3.13Å
163	N	98.1	Very high	98	Very high	23 Å²	23	42.2 Å²	42.2	12%	0.123	21%	0.21	C	C	.	.			trans	-112.5	25.7	-179.1	-62.5	-76.5	0	0	0	112.9	N139 L140 F141 R165 N185 K186	N139-N163 PolarHBondContact OD1-ND2 2.81Å; L140-N163 CarbonylContact O-C 3.49Å; L140-N163 VanDerWaalsContact O-CA 3.31Å; L140-N163 WeakPolarHBondContact O-CA 3.08Å; L140-N163 WeakPolarHBondContact O-CB 3.48Å; L140-N163 PolarHBondContact O-N 3.41Å; F141-N163 HydrophobicContact CD1-CB 3.36Å; F141-N163 HydrophobicContact CD2-CB 4.49Å; F141-N163 HydrophobicContact CE1-CB 3.4Å; F141-N163 VanDerWaalsContact CE1-CB 3.4Å; F141-N163 HydrophobicContact CG-CB 3.95Å; F141-N163 HydrophobicContact CZ-CB 4.01Å; N163-R165 PolarHBondContact O-N 3.29Å; N163-N185 PolarHBondContact N-OD1 3.28Å; N163-K186 HydrophobicContact CB-CD 4.47Å; N163-K186 WeakPolarHBondContact OD1-CE 3.16Å; N163-K186 PolarHBondContact OD1-NZ 3.38Å
164	F	98.3	Very high	98	Very high	1 Å²	1	42 Å²	42	0%	0.004	21%	0.205	C	C	.	.			trans	-64.2	122.6	-178.8	-61.2	-55.7	0	0	0	110.6	L140 F141 I143 C159 N162 P168 L182 N185 K186 I187	L140-F164 HydrophobicContact CB-CE1 3.72Å; L140-F164 HydrophobicContact CB-CE2 4.44Å; L140-F164 HydrophobicContact CB-CZ 3.52Å; L140-F164 HydrophobicContact CD1-CZ 4.1Å; L140-F164 HydrophobicContact CG-CZ 4.46Å; F141-F164 WeakPolarHBondContact O-CD1 3.29Å; I143-F164 HydrophobicContact CD1-CE1 4.42Å; I143-F164 HydrophobicContact CD1-CZ 3.97Å; I143-F164 HydrophobicContact CG1-CE1 3.77Å; I143-F164 HydrophobicContact CG1-CZ 3.74Å; C159-F164 HydrophobicContact CB-CE2 3.88Å; N162-F164 HydrophobicContact CB-CD2 3.75Å; N162-F164 HydrophobicContact CB-CE2 3.51Å; N162-F164 HydrophobicContact CB-CZ 4.14Å; F164-P168 HydrophobicContact CD1-CG 4.23Å; F164-P168 HydrophobicContact CD2-CG 4.39Å; F164-P168 HydrophobicContact CE1-CG 4.35Å; F164-P168 HydrophobicContact CG-CG 4.28Å; F164-P168 HydrophobicContact CZ-CG 4.5Å; F164-L182 HydrophobicContact CD2-CD2 4.19Å; F164-N185 HydrophobicContact CB-CB 4.32Å; F164-N185 WeakPolarHBondContact CB-OD1 3.35Å; F164-N185 WeakPolarHBondContact CD2-OD1 3.42Å; F164-N185 PolarHBondContact N-OD1 2.96Å; F164-N185 VanDerWaalsContact N-OD1 3.11Å; F164-K186 CarbonylContact O-C 3.11Å; F164-K186 VanDerWaalsContact O-CA 3.27Å; F164-K186 WeakPolarHBondContact O-CA 3.37Å; F164-K186 PolarHBondContact O-N 3.17Å; F164-I187 HydrophobicContact CB-CG1 4.36Å; F164-I187 WeakPolarHBondContact O-CG1 3.48Å; F164-I187 PolarHBondContact O-N 3.19Å
165	R	98.1	Very high	97.8	Very high	164 Å²	164	48.4 Å²	48.4	62%	0.619	24%	0.235	S	C	*	.	S	Bend	trans	-85	-14.1	172.4	-65.9	-167.9	-173.6	-175	0.7	113.9	N163 K186 I187 E188	N163-R165 PolarHBondContact O-N 3.29Å; R165-K186 WeakPolarHBondContact CA-O 3.44Å; R165-K186 HydrophobicContact CG-CB 4.43Å; R165-I187 WeakPolarHBondContact O-CA 3.27Å; R165-E188 PolarHBondContact O-N 2.99Å; R165-E188 VanDerWaalsContact O-N 3.09Å
166	R	98.1	Very high	97.8	Very high	200 Å²	200	50.2 Å²	50.2	76%	0.755	24%	0.243	S	C	*	.	S	Bend	trans	-144.3	154.1	-179.9	-63.8	-177	176.3	175.7	-2.5	108.4
167	I	98.4	Very high	97.8	Very high	7 Å²	7	48.8 Å²	48.8	4%	0.036	24%	0.236	C	C	.	.			trans	-57.1	129.3	169.3	-63.6	172.7	0	0	0	108.3	G169 I171 L182 I187 V190 L195 L206	I167-G169 PolarHBondContact O-N 2.98Å; I167-I171 HydrophobicContact CG2-CD1 3.58Å; I167-I171 HydrophobicContact CG2-CG1 4.47Å; I167-L182 HydrophobicContact CG1-CD1 4.3Å; I167-L182 HydrophobicContact CG2-CD1 4.11Å; I167-I187 HydrophobicContact CG1-CD1 4.06Å; I167-I187 HydrophobicContact CG1-CG2 4.23Å; I167-V190 HydrophobicContact CD1-CG1 3.94Å; I167-V190 HydrophobicContact CD1-CG2 4.25Å; I167-L195 HydrophobicContact CD1-CD1 4.07Å; I167-L195 HydrophobicContact CD1-CD2 4.11Å; I167-L195 HydrophobicContact CD1-CG 4.01Å; I167-L195 HydrophobicContact CG2-CD2 4.11Å; I167-L206 HydrophobicContact CD1-CD1 4.31Å; I167-L206 HydrophobicContact CD1-CD2 4.26Å; I167-L206 HydrophobicContact CG1-CD2 4.27Å
168	P	97.4	Very high	97.8	Very high	10 Å²	10	50 Å²	50	7%	0.065	24%	0.244	C	C	.	.			trans	-63	121.4	-175.1	-23.1	33	0	0	0	112.7	I143 F164 A170 I171 L182	I143-P168 HydrophobicContact CB-CB 4.01Å; I143-P168 HydrophobicContact CD1-CB 4.03Å; I143-P168 HydrophobicContact CD1-CG 4Å; I143-P168 HydrophobicContact CG1-CB 4.13Å; I143-P168 HydrophobicContact CG1-CG 4.27Å; F164-P168 HydrophobicContact CD1-CG 4.23Å; F164-P168 HydrophobicContact CD2-CG 4.39Å; F164-P168 HydrophobicContact CE1-CG 4.35Å; F164-P168 HydrophobicContact CG-CG 4.28Å; F164-P168 HydrophobicContact CZ-CG 4.5Å; P168-A170 PolarHBondContact O-N 3.02Å; P168-I171 WeakPolarHBondContact O-CG1 3.49Å; P168-I171 PolarHBondContact O-N 2.99Å; P168-L182 HydrophobicContact CG-CD2 4.37Å
169	G	96.7	Very high	97.8	Very high	41 Å²	41	52.3 Å²	52.3	42%	0.423	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-60.7	-18.6	-179.6	0	0	0	0	0	114.7	I167 I171 R172	I167-G169 PolarHBondContact O-N 2.98Å; G169-I171 PolarHBondContact O-N 3.24Å; G169-I171 VanDerWaalsContact O-N 3.15Å; G169-R172 VanDerWaalsContact O-CB 3.32Å; G169-R172 WeakPolarHBondContact O-CB 3.38Å; G169-R172 PolarHBondContact O-N 3.37Å; G169-R172 VanDerWaalsContact O-N 3.13Å
170	A	97.2	Very high	97.8	Very high	12 Å²	12	52.3 Å²	52.3	10%	0.099	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-58.9	-21.3	176.3	0	0	0	0	0	114.6	I143 I147 F148 P168	I143-A170 HydrophobicContact CB-CB 4.3Å; I143-A170 HydrophobicContact CG2-CB 3.76Å; I147-A170 HydrophobicContact CG2-CB 4.08Å; F148-A170 HydrophobicContact CD2-CB 3.88Å; F148-A170 HydrophobicContact CE2-CB 4.02Å; P168-A170 PolarHBondContact O-N 3.02Å
171	I	97.6	Very high	97.8	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-85.4	-10.1	179.1	73.5	-177.4	0	0	0	113.7	L157 I167 P168 G169 G173 M174 L177 I180 L195 L198	L157-I171 HydrophobicContact CD2-CG2 3.61Å; I167-I171 HydrophobicContact CG2-CD1 3.58Å; I167-I171 HydrophobicContact CG2-CG1 4.47Å; P168-I171 WeakPolarHBondContact O-CG1 3.49Å; P168-I171 PolarHBondContact O-N 2.99Å; G169-I171 PolarHBondContact O-N 3.24Å; G169-I171 VanDerWaalsContact O-N 3.15Å; I171-G173 PolarHBondContact O-N 3.24Å; I171-M174 HydrophobicContact CB-SD 4.19Å; I171-M174 HydrophobicContact CG2-SD 4.38Å; I171-M174 VanDerWaalsContact O-CB 3.29Å; I171-M174 WeakPolarHBondContact O-CB 3.17Å; I171-M174 VanDerWaalsContact O-CG 3.3Å; I171-M174 WeakPolarHBondContact O-CG 3.23Å; I171-M174 PolarHBondContact O-N 3.08Å; I171-M174 VanDerWaalsContact O-N 3.09Å; I171-L177 HydrophobicContact CB-CD1 4.19Å; I171-L177 HydrophobicContact CG2-CD1 4.39Å; I171-I180 HydrophobicContact CD1-CD1 3.95Å; I171-L195 HydrophobicContact CD1-CD2 4.17Å; I171-L198 HydrophobicContact CD1-CD1 4.07Å; I171-L198 HydrophobicContact CG1-CD1 4.37Å; I171-L198 WeakPolarHBondContact O-CD2 3.31Å
172	R	96.7	Very high	97.9	Very high	139 Å²	139	49 Å²	49	53%	0.525	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	130.4	-176.4	-177.3	176.3	174.3	-162.2	-3.1	110.7	G169 M174 Q196	G169-R172 VanDerWaalsContact O-CB 3.32Å; G169-R172 WeakPolarHBondContact O-CB 3.38Å; G169-R172 PolarHBondContact O-N 3.37Å; G169-R172 VanDerWaalsContact O-N 3.13Å; R172-M174 VanDerWaalsContact C-N 3.28Å; R172-M174 PolarHBondContact O-N 2.92Å; R172-Q196 HydrophobicContact CG-CB 4.23Å
173	G	96.3	Very high	97.9	Very high	43 Å²	43	49.7 Å²	49.7	44%	0.443	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	10.8	-179.4	0	0	0	0	0	114.9	I171 E175 Q196	I171-G173 PolarHBondContact O-N 3.24Å; G173-E175 VanDerWaalsContact C-N 3.27Å; G173-E175 PolarHBondContact O-N 2.91Å; G173-Q196 PolarHBondContact N-O 3.23Å
174	M	96.9	Very high	97.9	Very high	22 Å²	22	54.4 Å²	54.4	11%	0.108	26%	0.256	C	S	.	.			trans	-77.7	77.9	173.8	-67.3	-173.8	71.2	0	0	110.9	F148 M154 I171 R172 N176 L177 L198	F148-M174 HydrophobicContact CB-CE 4.1Å; F148-M174 HydrophobicContact CB-SD 3.97Å; F148-M174 HydrophobicContact CD2-SD 3.89Å; F148-M174 HydrophobicContact CG-CE 4.43Å; F148-M174 HydrophobicContact CG-SD 4.24Å; M154-M174 HydrophobicContact CB-CE 3.74Å; M154-M174 HydrophobicContact CE-CE 4.39Å; M154-M174 HydrophobicContact CG-CE 4.24Å; M154-M174 HydrophobicContact SD-CE 3.82Å; I171-M174 HydrophobicContact CB-SD 4.19Å; I171-M174 HydrophobicContact CG2-SD 4.38Å; I171-M174 VanDerWaalsContact O-CB 3.29Å; I171-M174 WeakPolarHBondContact O-CB 3.17Å; I171-M174 VanDerWaalsContact O-CG 3.3Å; I171-M174 WeakPolarHBondContact O-CG 3.23Å; I171-M174 PolarHBondContact O-N 3.08Å; I171-M174 VanDerWaalsContact O-N 3.09Å; R172-M174 VanDerWaalsContact C-N 3.28Å; R172-M174 PolarHBondContact O-N 2.92Å; M174-N176 PolarHBondContact O-N 2.9Å; M174-N176 VanDerWaalsContact O-N 3.09Å; M174-L177 HydrophobicContact CB-CB 4.37Å; M174-L177 HydrophobicContact CB-CD1 3.61Å; M174-L177 HydrophobicContact CB-CG 3.79Å; M174-L177 HydrophobicContact CE-CD1 3.9Å; M174-L177 HydrophobicContact CE-CD2 4.24Å; M174-L177 HydrophobicContact CE-CG 3.93Å; M174-L177 HydrophobicContact CG-CD1 4.23Å; M174-L177 PolarHBondContact O-N 3.24Å; M174-L177 HydrophobicContact SD-CD1 3.68Å; M174-L177 HydrophobicContact SD-CG 4.32Å; M174-L198 HydrophobicContact CB-CD2 4.08Å; M174-L198 WeakPolarHBondContact O-CD2 3.13Å
175	E	96	Very high	97.9	Very high	135 Å²	135	54.8 Å²	54.8	63%	0.631	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.5	-173	-67.3	179.2	-175.2	0	0	114.9	G173 S200	G173-E175 VanDerWaalsContact C-N 3.27Å; G173-E175 PolarHBondContact O-N 2.91Å; E175-S200 WeakPolarHBondContact O-CB 3.47Å; E175-S200 PolarHBondContact O-OG 3.47Å
176	N	97.9	Very high	97.9	Very high	87 Å²	87	50.3 Å²	50.3	47%	0.465	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-8.4	179.2	-72.1	-22	0	0	0	113.7	T152 M154 M174 T178	T152-N176 PolarHBondContact O-ND2 2.96Å; M154-N176 CarbonylContact O-C 3.45Å; M154-N176 VanDerWaalsContact O-C 3.29Å; M174-N176 PolarHBondContact O-N 2.9Å; M174-N176 VanDerWaalsContact O-N 3.09Å; N176-T178 PolarHBondContact O-N 3.03Å
177	L	98.5	Very high	98	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.			trans	-65.2	132	175.9	-80.6	179.1	0	0	0	110.1	M154 L157 I171 M174 I180 L198 S200 L201	M154-L177 HydrophobicContact CB-CD2 4.29Å; M154-L177 HydrophobicContact CG-CD2 3.83Å; M154-L177 PolarHBondContact O-N 3.5Å; M154-L177 HydrophobicContact SD-CD2 4.13Å; L157-L177 HydrophobicContact CB-CD2 4.26Å; I171-L177 HydrophobicContact CB-CD1 4.19Å; I171-L177 HydrophobicContact CG2-CD1 4.39Å; M174-L177 HydrophobicContact CB-CB 4.37Å; M174-L177 HydrophobicContact CB-CD1 3.61Å; M174-L177 HydrophobicContact CB-CG 3.79Å; M174-L177 HydrophobicContact CE-CD1 3.9Å; M174-L177 HydrophobicContact CE-CD2 4.24Å; M174-L177 HydrophobicContact CE-CG 3.93Å; M174-L177 HydrophobicContact CG-CD1 4.23Å; M174-L177 PolarHBondContact O-N 3.24Å; M174-L177 HydrophobicContact SD-CD1 3.68Å; M174-L177 HydrophobicContact SD-CG 4.32Å; L177-I180 HydrophobicContact CD1-CD1 3.89Å; L177-I180 HydrophobicContact CD1-CG1 4.17Å; L177-L198 HydrophobicContact CB-CD2 4.38Å; L177-L198 HydrophobicContact CD1-CD2 4.28Å; L177-S200 CarbonylContact O-C 3.43Å; L177-L201 HydrophobicContact CB-CD1 4.49Å; L177-L201 WeakPolarHBondContact O-CA 3.41Å; L177-L201 PolarHBondContact O-N 3.09Å
178	T	98.8	Very high	98	Very high	29 Å²	29	44.5 Å²	44.5	18%	0.178	23%	0.225	C	C	.	.			trans	-117.4	-31.9	-179.3	59.6	0	0	0	0	111.8	T155 N176 R202 Y203	T155-T178 PolarHBondContact O-N 3.48Å; T155-T178 PolarHBondContact O-OG1 3.36Å; N176-T178 PolarHBondContact O-N 3.03Å; T178-R202 PolarHBondContact O-N 2.91Å; T178-Y203 PolarHBondContact O-N 3.03Å
179	H	98.9	Very high	98	Very high	60 Å²	60	45.5 Å²	45.5	28%	0.278	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125	-176.5	-63.4	74.2	0	0	0	110.4	T155 E156 L157 Y181 Y203	T155-H179 PolarHBondContact O-N 2.91Å; E156-H179 WeakPolarHBondContact CA-O 3.21Å; E156-H179 HydrophobicContact CB-CB 4.4Å; E156-H179 HydrophobicContact CG-CB 4.02Å; L157-H179 PolarHBondContact N-O 3.02Å; H179-Y181 HydrophobicContact CB-CE2 3.86Å; H179-Y203 WeakPolarHBondContact CD2-CB 3.33Å; H179-Y203 AromaticContact CD2-CG 3.83Å
180	I	98.9	Very high	98.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.2	176.2	-64.6	172.9	0	0	0	109.2	I171 L177 L182 L198 L201 Y203 L204 N205	I171-I180 HydrophobicContact CD1-CD1 3.95Å; L177-I180 HydrophobicContact CD1-CD1 3.89Å; L177-I180 HydrophobicContact CD1-CG1 4.17Å; I180-L182 HydrophobicContact CG2-CD1 3.63Å; I180-L182 HydrophobicContact CG2-CG 3.76Å; I180-L198 HydrophobicContact CD1-CD1 3.86Å; I180-L201 HydrophobicContact CB-CD1 4.25Å; I180-L201 HydrophobicContact CD1-CD1 3.56Å; I180-L201 HydrophobicContact CD1-CD2 4.24Å; I180-L201 HydrophobicContact CG1-CD1 3.64Å; I180-Y203 PolarHBondContact N-O 2.97Å; I180-L204 HydrophobicContact CB-CD1 4.14Å; I180-L204 HydrophobicContact CG2-CD1 4.1Å; I180-N205 PolarHBondContact O-N 2.89Å
181	Y	98.9	Very high	98	Very high	45 Å²	45	44 Å²	44	18%	0.176	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	110.9	178	-55.9	-97.7	0	0	0	109.1	E156 L157 L158 C159 F160 H179 E183 Y203	E156-Y181 HydrophobicContact CG-CE2 3.99Å; E156-Y181 WeakPolarHBondContact OE1-CE2 3.36Å; E156-Y181 PolarHBondContact OE1-OH 3.05Å; L157-Y181 PolarHBondContact O-N 3.1Å; L158-Y181 HydrophobicContact CB-CD2 4.47Å; L158-Y181 HydrophobicContact CD2-CD2 4.34Å; L158-Y181 HydrophobicContact CG-CD2 3.75Å; L158-Y181 HydrophobicContact CG-CE2 4.2Å; L158-Y181 HydrophobicContact CG-CG 4.37Å; C159-Y181 CarbonylContact C-O 3.22Å; C159-Y181 WeakPolarHBondContact CA-O 3.3Å; C159-Y181 PolarHBondContact N-O 2.95Å; F160-Y181 PolarHBondContact N-O 3.23Å; H179-Y181 HydrophobicContact CB-CE2 3.86Å; Y181-E183 WeakPolarHBondContact CA-OE2 3.22Å; Y181-E183 WeakPolarHBondContact CB-OE2 3.4Å; Y181-Y203 HydrophobicContact CD1-CD1 4.32Å; Y181-Y203 AromaticContact CD1-CE1 3.49Å; Y181-Y203 HydrophobicContact CD1-CE1 3.49Å; Y181-Y203 VanDerWaalsContact CD1-CE1 3.49Å; Y181-Y203 AromaticContact CE1-CD1 3.92Å; Y181-Y203 HydrophobicContact CE1-CD1 3.92Å; Y181-Y203 AromaticContact CE1-CE1 3.22Å; Y181-Y203 HydrophobicContact CE1-CE1 3.22Å; Y181-Y203 AromaticContact CE1-CZ 3.68Å; Y181-Y203 HydrophobicContact CG-CE1 4.28Å; Y181-Y203 AromaticContact CZ-CE1 3.85Å
182	L	98.9	Very high	97.9	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	25%	0.247	C	C	.	.			trans	-129.2	15.8	-177.2	-77.2	169.7	0	0	0	111.7	C159 F164 I167 P168 I180 N185 I187 N205 L206 N209	C159-L182 HydrophobicContact CB-CD2 3.77Å; F164-L182 HydrophobicContact CD2-CD2 4.19Å; I167-L182 HydrophobicContact CG1-CD1 4.3Å; I167-L182 HydrophobicContact CG2-CD1 4.11Å; P168-L182 HydrophobicContact CG-CD2 4.37Å; I180-L182 HydrophobicContact CG2-CD1 3.63Å; I180-L182 HydrophobicContact CG2-CG 3.76Å; L182-N185 PolarHBondContact O-ND2 3.15Å; L182-I187 HydrophobicContact CB-CD1 4.13Å; L182-I187 HydrophobicContact CD1-CD1 4.39Å; L182-N205 CarbonylContact C-O 3.22Å; L182-N205 WeakPolarHBondContact CA-O 3.48Å; L182-N205 WeakPolarHBondContact CB-O 3.31Å; L182-N205 PolarHBondContact N-O 3.22Å; L182-L206 HydrophobicContact CB-CD2 3.82Å; L182-L206 HydrophobicContact CD1-CD2 4.02Å; L182-N209 PolarHBondContact O-ND2 3.34Å
183	E	98.8	Very high	97.8	Very high	21 Å²	21	47.3 Å²	47.3	10%	0.098	24%	0.235	C	C	.	.			trans	-63.4	158.7	178.3	68.1	-82.5	-164.5	0	0	113.3	F160 Q161 Y181 N185 N205 Q207	F160-E183 CarbonylContact C-O 3.55Å; F160-E183 WeakPolarHBondContact CA-O 3.26Å; F160-E183 HydrophobicContact CB-CG 3.65Å; F160-E183 VanDerWaalsContact CB-O 3.28Å; F160-E183 WeakPolarHBondContact CB-O 3.17Å; F160-E183 WeakPolarHBondContact CB-OE1 3.19Å; F160-E183 HydrophobicContact CG-CG 4.37Å; Q161-E183 PolarHBondContact N-O 3Å; Y181-E183 WeakPolarHBondContact CA-OE2 3.22Å; Y181-E183 WeakPolarHBondContact CB-OE2 3.4Å; E183-N185 PolarHBondContact O-N 2.72Å; E183-N185 PolarHBondContact O-ND2 3.11Å; E183-N205 PolarHBondContact N-O 3.33Å; E183-Q207 CarbonylContact C-O 3.59Å; E183-Q207 WeakPolarHBondContact CA-O 2.88Å; E183-Q207 HydrophobicContact CB-CB 4.48Å; E183-Q207 HydrophobicContact CB-CG 3.38Å; E183-Q207 WeakPolarHBondContact CB-O 3.32Å; E183-Q207 HydrophobicContact CG-CG 4.21Å
184	R	98.8	Very high	97.8	Very high	121 Å²	121	46 Å²	46	46%	0.457	22%	0.219	S	C	.	.	S	Bend	trans	56.2	38.7	178.4	-62.1	-176.2	175.8	135.1	12.6	113.2	Q161 Q207 E208	Q161-R184 VanDerWaalsContact CA-O 3.27Å; Q161-R184 WeakPolarHBondContact CA-O 3.38Å; Q161-R184 HydrophobicContact CB-CB 4.33Å; R184-Q207 PolarHBondContact N-O 2.97Å; R184-Q207 VanDerWaalsContact N-O 3.08Å; R184-E208 VanDerWaalsContact CA-O 3.24Å; R184-E208 WeakPolarHBondContact CA-O 3.3Å; R184-E208 HydrophobicContact CG-CB 3.83Å; R184-E208 HydrophobicContact CG-CG 4.41Å; R184-E208 VanDerWaalsContact CG-OE2 3.3Å; R184-E208 WeakPolarHBondContact CG-OE2 3.47Å; R184-E208 IonicContact CZ-OE1 2.79Å; R184-E208 IonicContact CZ-OE2 3.7Å; R184-E208 PolarHBondContact N-O 2.85Å; R184-E208 VanDerWaalsContact NE-CD 3.32Å; R184-E208 IonicContact NE-OE1 3.5Å; R184-E208 PolarHBondContact NE-OE1 3.1Å; R184-E208 IonicContact NE-OE2 3.84Å; R184-E208 PolarHBondContact NE-OE2 3.4Å; R184-E208 IonicContact NH2-OE1 3.36Å; R184-E208 PolarHBondContact NH2-OE1 3.14Å; R184-E208 IonicContact NH2-OE2 3.39Å
185	N	98.8	Very high	97.8	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.048	22%	0.215	C	C	.	.	S	Bend	trans	-105.8	-161.9	172.4	-86.6	-79	0	0	0	109.9	C159 N162 N163 F164 L182 E183 I187 N209	C159-N185 PolarHBondContact O-ND2 2.94Å; N162-N185 WeakPolarHBondContact CA-OD1 3.37Å; N162-N185 WeakPolarHBondContact CB-OD1 3.26Å; N162-N185 PolarHBondContact N-OD1 3.42Å; N162-N185 PolarHBondContact O-OD1 3.13Å; N162-N185 VanDerWaalsContact O-OD1 3.13Å; N163-N185 PolarHBondContact N-OD1 3.28Å; F164-N185 HydrophobicContact CB-CB 4.32Å; F164-N185 WeakPolarHBondContact CB-OD1 3.35Å; F164-N185 WeakPolarHBondContact CD2-OD1 3.42Å; F164-N185 PolarHBondContact N-OD1 2.96Å; F164-N185 VanDerWaalsContact N-OD1 3.11Å; L182-N185 PolarHBondContact O-ND2 3.15Å; E183-N185 PolarHBondContact O-N 2.72Å; E183-N185 PolarHBondContact O-ND2 3.11Å; N185-I187 HydrophobicContact CB-CD1 4.29Å; N185-I187 HydrophobicContact CB-CG1 4.07Å; N185-N209 VanDerWaalsContact CA-OD1 3.25Å; N185-N209 WeakPolarHBondContact CA-OD1 3.49Å; N185-N209 WeakPolarHBondContact CB-OD1 3.29Å; N185-N209 PolarHBondContact N-OD1 3.21Å; N185-N209 PolarHBondContact O-OD1 2.79Å
186	K	98.6	Very high	97.9	Very high	70 Å²	70	42 Å²	42	30%	0.304	20%	0.201	S	C	.	.			trans	-120	28.9	178.1	-64.7	173.8	178.8	164.7	0	110.6	N163 F164 R165 E188 N209	N163-K186 HydrophobicContact CB-CD 4.47Å; N163-K186 WeakPolarHBondContact OD1-CE 3.16Å; N163-K186 PolarHBondContact OD1-NZ 3.38Å; F164-K186 CarbonylContact O-C 3.11Å; F164-K186 VanDerWaalsContact O-CA 3.27Å; F164-K186 WeakPolarHBondContact O-CA 3.37Å; F164-K186 PolarHBondContact O-N 3.17Å; R165-K186 WeakPolarHBondContact CA-O 3.44Å; R165-K186 HydrophobicContact CG-CB 4.43Å; K186-E188 PolarHBondContact O-N 3.36Å; K186-N209 PolarHBondContact N-OD1 3Å
187	I	98.8	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.			trans	-66.9	124.2	-172.6	-61	171	0	0	0	109	F164 R165 I167 L182 N185 L206 N209 R210 I211	F164-I187 HydrophobicContact CB-CG1 4.36Å; F164-I187 WeakPolarHBondContact O-CG1 3.48Å; F164-I187 PolarHBondContact O-N 3.19Å; R165-I187 WeakPolarHBondContact O-CA 3.27Å; I167-I187 HydrophobicContact CG1-CD1 4.06Å; I167-I187 HydrophobicContact CG1-CG2 4.23Å; L182-I187 HydrophobicContact CB-CD1 4.13Å; L182-I187 HydrophobicContact CD1-CD1 4.39Å; N185-I187 HydrophobicContact CB-CD1 4.29Å; N185-I187 HydrophobicContact CB-CG1 4.07Å; I187-L206 HydrophobicContact CD1-CD2 3.92Å; I187-N209 HydrophobicContact CB-CB 4.24Å; I187-N209 WeakPolarHBondContact CB-OD1 3.17Å; I187-N209 WeakPolarHBondContact CG1-OD1 3.28Å; I187-N209 PolarHBondContact N-OD1 3.15Å; I187-R210 CarbonylContact O-C 3.53Å; I187-R210 VanDerWaalsContact O-CA 3.29Å; I187-R210 WeakPolarHBondContact O-CA 3.5Å; I187-R210 PolarHBondContact O-N 2.94Å; I187-I211 HydrophobicContact CB-CG1 4.3Å; I187-I211 HydrophobicContact CG2-CD1 4.3Å; I187-I211 HydrophobicContact CG2-CG1 4Å; I187-I211 WeakPolarHBondContact O-CG1 3.24Å; I187-I211 PolarHBondContact O-N 3.01Å
188	E	98.4	Very high	97.8	Very high	85 Å²	85	39 Å²	39	40%	0.397	19%	0.189	S	C	.	.			trans	-96.9	-27.7	-174.1	-69.4	166.5	-168.2	0	0	112.9	R165 K186 R210 I211 N212	R165-E188 PolarHBondContact O-N 2.99Å; R165-E188 VanDerWaalsContact O-N 3.09Å; K186-E188 PolarHBondContact O-N 3.36Å; E188-R210 WeakPolarHBondContact CA-O 3.44Å; E188-R210 HydrophobicContact CG-CB 4.47Å; E188-I211 WeakPolarHBondContact O-CA 3.42Å; E188-N212 PolarHBondContact O-N 2.93Å; E188-N212 PolarHBondContact O-OD1 3.03Å
189	A	98.1	Very high	97.7	Very high	31 Å²	31	38.5 Å²	38.5	26%	0.256	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	153.4	-178.1	0	0	0	0	0	112.6	V213	A189-V213 VanDerWaalsContact CA-O 3.24Å; A189-V213 WeakPolarHBondContact CA-O 3.35Å; A189-V213 HydrophobicContact CB-CB 4.27Å; A189-V213 WeakPolarHBondContact CB-O 3.29Å
190	V	98.1	Very high	97.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	104.1	167.1	-170.1	0	0	0	0	108.8	I167 L195 L206 I211 V213 I214 H215 A218 F219	I167-V190 HydrophobicContact CD1-CG1 3.94Å; I167-V190 HydrophobicContact CD1-CG2 4.25Å; V190-L195 HydrophobicContact CG1-CD1 3.95Å; V190-L206 HydrophobicContact CG2-CD1 4.1Å; V190-I211 HydrophobicContact CG2-CD1 4.06Å; V190-I211 HydrophobicContact CG2-CG2 4.17Å; V190-V213 PolarHBondContact N-O 3.14Å; V190-I214 HydrophobicContact CB-CG1 4.39Å; V190-I214 HydrophobicContact CG2-CG1 4.35Å; V190-H215 PolarHBondContact O-N 3.17Å; V190-A218 HydrophobicContact CB-CB 4.5Å; V190-A218 HydrophobicContact CG1-CB 3.87Å; V190-F219 HydrophobicContact CB-CE1 4.4Å; V190-F219 HydrophobicContact CB-CZ 4.37Å; V190-F219 HydrophobicContact CG1-CD1 4.5Å; V190-F219 HydrophobicContact CG1-CE1 3.66Å; V190-F219 HydrophobicContact CG1-CZ 4.09Å; V190-F219 HydrophobicContact CG2-CE1 4.48Å; V190-F219 HydrophobicContact CG2-CZ 4.37Å
191	A	96.3	Very high	97.7	Very high	23 Å²	23	37 Å²	37	19%	0.19	19%	0.187	C	C	.	.			trans	-82.9	154.1	179.1	0	0	0	0	0	111.8	N193 S194	A191-N193 PolarHBondContact O-N 3.32Å; A191-S194 WeakPolarHBondContact CB-OG 3.44Å; A191-S194 PolarHBondContact N-OG 3.15Å; A191-S194 WeakPolarHBondContact O-CB 3.07Å; A191-S194 PolarHBondContact O-N 2.69Å; A191-S194 PolarHBondContact O-OG 2.9Å
192	Y	94.4	Very high	97.7	Very high	158 Å²	158	39.7 Å²	39.7	62%	0.62	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-25.6	-177.1	72	-86.4	0	0	0	115.4
193	N	94.9	Very high	97.7	Very high	51 Å²	51	41.4 Å²	41.4	27%	0.273	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-1.5	-178.2	65.8	-16.5	0	0	0	114.1	A191 L195	A191-N193 PolarHBondContact O-N 3.32Å; N193-L195 VanDerWaalsContact C-N 3.31Å; N193-L195 PolarHBondContact O-N 3.36Å
194	S	96.3	Very high	97.7	Very high	16 Å²	16	40.4 Å²	40.4	11%	0.112	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-31.5	-172.8	-66.9	0	0	0	0	113	A191	A191-S194 WeakPolarHBondContact CB-OG 3.44Å; A191-S194 PolarHBondContact N-OG 3.15Å; A191-S194 WeakPolarHBondContact O-CB 3.07Å; A191-S194 PolarHBondContact O-N 2.69Å; A191-S194 PolarHBondContact O-OG 2.9Å
195	L	97.3	Very high	97.7	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	17.9	-176.5	-64.2	167.3	0	0	0	112	I167 I171 V190 N193 L198 L204 F219 L222	I167-L195 HydrophobicContact CD1-CD1 4.07Å; I167-L195 HydrophobicContact CD1-CD2 4.11Å; I167-L195 HydrophobicContact CD1-CG 4.01Å; I167-L195 HydrophobicContact CG2-CD2 4.11Å; I171-L195 HydrophobicContact CD1-CD2 4.17Å; V190-L195 HydrophobicContact CG1-CD1 3.95Å; N193-L195 VanDerWaalsContact C-N 3.31Å; N193-L195 PolarHBondContact O-N 3.36Å; L195-L198 HydrophobicContact CB-CD1 4.03Å; L195-L198 HydrophobicContact CD2-CD1 3.59Å; L195-L198 HydrophobicContact CG-CD1 4.44Å; L195-L198 WeakPolarHBondContact O-CB 3.33Å; L195-L198 WeakPolarHBondContact O-CG 3.41Å; L195-L198 PolarHBondContact O-N 3.49Å; L195-L204 HydrophobicContact CD1-CD2 3.76Å; L195-L204 HydrophobicContact CD2-CD2 4.39Å; L195-F219 HydrophobicContact CD1-CD1 3.82Å; L195-F219 HydrophobicContact CD1-CE1 3.83Å; L195-L222 HydrophobicContact CB-CD2 4.35Å; L195-L222 HydrophobicContact CD1-CD1 4.16Å
196	Q	96.7	Very high	97.7	Very high	71 Å²	71	34.3 Å²	34.3	33%	0.332	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	137	-176.1	-170.4	-177.2	25.7	0	0	111.5	R172 G173 L198 D221	R172-Q196 HydrophobicContact CG-CB 4.23Å; G173-Q196 PolarHBondContact N-O 3.23Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; Q196-D221 WeakPolarHBondContact CA-OD2 3.5Å; Q196-D221 VanDerWaalsContact CG-OD2 3.31Å; Q196-D221 WeakPolarHBondContact CG-OD2 3.03Å
197	G	96.6	Very high	97.7	Very high	22 Å²	22	33 Å²	33	23%	0.227	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	12.3	177.2	0	0	0	0	0	115	G199 D221	G197-G199 VanDerWaalsContact C-N 3.27Å; G197-G199 PolarHBondContact O-N 3.09Å; G197-D221 PolarHBondContact N-OD2 3.22Å
198	L	97.8	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.			trans	-89.1	50.7	178.2	-62.1	-179.7	0	0	0	112.4	I171 M174 L177 I180 L195 Q196 S200 L201 L222	I171-L198 HydrophobicContact CD1-CD1 4.07Å; I171-L198 HydrophobicContact CG1-CD1 4.37Å; I171-L198 WeakPolarHBondContact O-CD2 3.31Å; M174-L198 HydrophobicContact CB-CD2 4.08Å; M174-L198 WeakPolarHBondContact O-CD2 3.13Å; L177-L198 HydrophobicContact CB-CD2 4.38Å; L177-L198 HydrophobicContact CD1-CD2 4.28Å; I180-L198 HydrophobicContact CD1-CD1 3.86Å; L195-L198 HydrophobicContact CB-CD1 4.03Å; L195-L198 HydrophobicContact CD2-CD1 3.59Å; L195-L198 HydrophobicContact CG-CD1 4.44Å; L195-L198 WeakPolarHBondContact O-CB 3.33Å; L195-L198 WeakPolarHBondContact O-CG 3.41Å; L195-L198 PolarHBondContact O-N 3.49Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; L198-S200 PolarHBondContact O-N 3.41Å; L198-S200 VanDerWaalsContact O-N 3.15Å; L198-L201 HydrophobicContact CB-CB 4.24Å; L198-L201 HydrophobicContact CD1-CD2 4.32Å; L198-L201 VanDerWaalsContact O-CB 3.32Å; L198-L201 WeakPolarHBondContact O-CB 3.5Å; L198-L201 PolarHBondContact O-N 3.27Å; L198-L201 VanDerWaalsContact O-N 3.16Å; L198-L222 HydrophobicContact CB-CD2 3.69Å
199	G	97.3	Very high	97.7	Very high	20 Å²	20	32.8 Å²	32.8	21%	0.206	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-8.1	-171.3	0	0	0	0	0	116.8	G197 D221 R224	G197-G199 VanDerWaalsContact C-N 3.27Å; G197-G199 PolarHBondContact O-N 3.09Å; G199-D221 WeakPolarHBondContact CA-O 3.21Å; G199-R224 WeakPolarHBondContact O-CG 3.07Å; G199-R224 PolarHBondContact O-NH1 2.92Å
200	S	98.4	Very high	97.7	Very high	30 Å²	30	37.6 Å²	37.6	21%	0.21	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	3.3	174.9	-54.8	0	0	0	0	113.5	E175 L177 L198 R202 R224	E175-S200 WeakPolarHBondContact O-CB 3.47Å; E175-S200 PolarHBondContact O-OG 3.47Å; L177-S200 CarbonylContact O-C 3.43Å; L198-S200 PolarHBondContact O-N 3.41Å; L198-S200 VanDerWaalsContact O-N 3.15Å; S200-R202 PolarHBondContact O-N 3.05Å; S200-R224 PolarHBondContact OG-NH1 3.47Å
201	L	98.8	Very high	97.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.			trans	-65.2	129.1	-177.3	-161.7	70.8	0	0	0	110.3	L177 I180 L198 L204 L222 R224 L225	L177-L201 HydrophobicContact CB-CD1 4.49Å; L177-L201 WeakPolarHBondContact O-CA 3.41Å; L177-L201 PolarHBondContact O-N 3.09Å; I180-L201 HydrophobicContact CB-CD1 4.25Å; I180-L201 HydrophobicContact CD1-CD1 3.56Å; I180-L201 HydrophobicContact CD1-CD2 4.24Å; I180-L201 HydrophobicContact CG1-CD1 3.64Å; L198-L201 HydrophobicContact CB-CB 4.24Å; L198-L201 HydrophobicContact CD1-CD2 4.32Å; L198-L201 VanDerWaalsContact O-CB 3.32Å; L198-L201 WeakPolarHBondContact O-CB 3.5Å; L198-L201 PolarHBondContact O-N 3.27Å; L198-L201 VanDerWaalsContact O-N 3.16Å; L201-L204 HydrophobicContact CD2-CB 3.98Å; L201-L204 HydrophobicContact CD2-CD1 4.41Å; L201-L204 HydrophobicContact CD2-CD2 4.31Å; L201-L204 HydrophobicContact CD2-CG 4.46Å; L201-L222 HydrophobicContact CB-CD2 4.23Å; L201-L222 HydrophobicContact CD2-CD1 4.42Å; L201-L222 HydrophobicContact CD2-CD2 3.88Å; L201-R224 CarbonylContact O-C 3.02Å; L201-L225 HydrophobicContact CD2-CD1 4.13Å; L201-L225 HydrophobicContact CG-CD1 4.08Å; L201-L225 VanDerWaalsContact O-CA 3.24Å; L201-L225 WeakPolarHBondContact O-CA 3.45Å; L201-L225 PolarHBondContact O-N 3.24Å
202	R	98.9	Very high	97.8	Very high	101 Å²	101	40.2 Å²	40.2	38%	0.381	19%	0.192	S	C	.	.			trans	-114.3	-29	178.9	-64.5	-174.9	-173.4	-93.4	-0.3	112.4	T178 S200 E226 N227	T178-R202 PolarHBondContact O-N 2.91Å; S200-R202 PolarHBondContact O-N 3.05Å; R202-E226 IonicContact CZ-OE1 3.4Å; R202-E226 IonicContact NH1-OE1 2.81Å; R202-E226 PolarHBondContact NH1-OE1 3.24Å; R202-E226 WeakPolarHBondContact O-CA 3.37Å; R202-E226 PolarHBondContact O-N 2.98Å; R202-N227 PolarHBondContact O-N 3.02Å
203	Y	98.9	Very high	98	Very high	37 Å²	37	35.5 Å²	35.5	15%	0.145	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.2	-177.8	-177.5	-80.6	0	0	0	110	T178 H179 I180 Y181 N205 N227 Y229	T178-Y203 PolarHBondContact O-N 3.03Å; H179-Y203 WeakPolarHBondContact CD2-CB 3.33Å; H179-Y203 AromaticContact CD2-CG 3.83Å; I180-Y203 PolarHBondContact N-O 2.97Å; Y181-Y203 HydrophobicContact CD1-CD1 4.32Å; Y181-Y203 AromaticContact CD1-CE1 3.49Å; Y181-Y203 HydrophobicContact CD1-CE1 3.49Å; Y181-Y203 VanDerWaalsContact CD1-CE1 3.49Å; Y181-Y203 AromaticContact CE1-CD1 3.92Å; Y181-Y203 HydrophobicContact CE1-CD1 3.92Å; Y181-Y203 AromaticContact CE1-CE1 3.22Å; Y181-Y203 HydrophobicContact CE1-CE1 3.22Å; Y181-Y203 AromaticContact CE1-CZ 3.68Å; Y181-Y203 HydrophobicContact CG-CE1 4.28Å; Y181-Y203 AromaticContact CZ-CE1 3.85Å; Y203-N205 HydrophobicContact CD1-CB 4.45Å; Y203-N205 HydrophobicContact CE1-CB 3.52Å; Y203-N205 PolarHBondContact OH-ND2 3.18Å; Y203-N205 VanDerWaalsContact OH-ND2 3.15Å; Y203-N227 WeakPolarHBondContact CA-O 3.39Å; Y203-N227 HydrophobicContact CD2-CB 3.78Å; Y203-N227 HydrophobicContact CE2-CB 4.33Å; Y203-Y229 HydrophobicContact CD2-CE2 4.08Å; Y203-Y229 HydrophobicContact CE2-CD2 4.07Å; Y203-Y229 AromaticContact CE2-CE2 3.32Å; Y203-Y229 HydrophobicContact CE2-CE2 3.32Å; Y203-Y229 AromaticContact CZ-CD2 3.99Å; Y203-Y229 AromaticContact CZ-CE2 3.66Å
204	L	98.9	Very high	98.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	118	174	178.9	56.9	0	0	0	109.5	I180 L195 L201 L206 L222 L225 N227 F228 Y229	I180-L204 HydrophobicContact CB-CD1 4.14Å; I180-L204 HydrophobicContact CG2-CD1 4.1Å; L195-L204 HydrophobicContact CD1-CD2 3.76Å; L195-L204 HydrophobicContact CD2-CD2 4.39Å; L201-L204 HydrophobicContact CD2-CB 3.98Å; L201-L204 HydrophobicContact CD2-CD1 4.41Å; L201-L204 HydrophobicContact CD2-CD2 4.31Å; L201-L204 HydrophobicContact CD2-CG 4.46Å; L204-L206 HydrophobicContact CD1-CG 4.16Å; L204-L206 HydrophobicContact CD2-CD1 4.18Å; L204-L206 HydrophobicContact CG-CD1 4.31Å; L204-L206 HydrophobicContact CG-CG 4.2Å; L204-L222 HydrophobicContact CD2-CD1 4.09Å; L204-L225 HydrophobicContact CB-CD1 3.84Å; L204-N227 PolarHBondContact N-O 3.35Å; L204-F228 HydrophobicContact CB-CD2 4.05Å; L204-F228 HydrophobicContact CB-CE2 4.34Å; L204-F228 HydrophobicContact CD2-CD2 4.1Å; L204-F228 HydrophobicContact CD2-CE2 3.58Å; L204-F228 HydrophobicContact CD2-CZ 4.09Å; L204-F228 HydrophobicContact CG-CD2 4.06Å; L204-F228 HydrophobicContact CG-CE2 3.85Å; L204-Y229 PolarHBondContact O-N 2.97Å
205	N	98.9	Very high	98.1	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	114.6	175.4	-165.9	-12.5	0	0	0	111.5	I180 L182 E183 Y203 Q207 Y229	I180-N205 PolarHBondContact O-N 2.89Å; L182-N205 CarbonylContact C-O 3.22Å; L182-N205 WeakPolarHBondContact CA-O 3.48Å; L182-N205 WeakPolarHBondContact CB-O 3.31Å; L182-N205 PolarHBondContact N-O 3.22Å; E183-N205 PolarHBondContact N-O 3.33Å; Y203-N205 HydrophobicContact CD1-CB 4.45Å; Y203-N205 HydrophobicContact CE1-CB 3.52Å; Y203-N205 PolarHBondContact OH-ND2 3.18Å; Y203-N205 VanDerWaalsContact OH-ND2 3.15Å; N205-Q207 PolarHBondContact ND2-NE2 2.88Å; N205-Q207 WeakPolarHBondContact OD1-CB 3.44Å; N205-Q207 WeakPolarHBondContact OD1-CG 3.3Å; N205-Q207 PolarHBondContact OD1-N 3.43Å; N205-Y229 HydrophobicContact CB-CD2 4.29Å; N205-Y229 WeakPolarHBondContact OD1-CB 3.04Å
206	L	98.9	Very high	98	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.			trans	-120.2	17.2	175.7	-68.6	173.7	0	0	0	111.5	I167 L182 I187 V190 L204 N209 I211 F228 Y229 L230 N233	I167-L206 HydrophobicContact CD1-CD1 4.31Å; I167-L206 HydrophobicContact CD1-CD2 4.26Å; I167-L206 HydrophobicContact CG1-CD2 4.27Å; L182-L206 HydrophobicContact CB-CD2 3.82Å; L182-L206 HydrophobicContact CD1-CD2 4.02Å; I187-L206 HydrophobicContact CD1-CD2 3.92Å; V190-L206 HydrophobicContact CG2-CD1 4.1Å; L204-L206 HydrophobicContact CD1-CG 4.16Å; L204-L206 HydrophobicContact CD2-CD1 4.18Å; L204-L206 HydrophobicContact CG-CD1 4.31Å; L204-L206 HydrophobicContact CG-CG 4.2Å; L206-N209 PolarHBondContact O-ND2 2.68Å; L206-I211 HydrophobicContact CB-CD1 3.89Å; L206-I211 HydrophobicContact CD1-CD1 4.05Å; L206-I211 HydrophobicContact CG-CD1 4.39Å; L206-F228 HydrophobicContact CD1-CE2 4.08Å; L206-Y229 CarbonylContact C-O 3.05Å; L206-Y229 WeakPolarHBondContact CA-O 3.25Å; L206-Y229 PolarHBondContact N-O 3.25Å; L206-L230 HydrophobicContact CB-CD2 4.05Å; L206-L230 HydrophobicContact CD1-CD2 4Å; L206-N233 PolarHBondContact O-ND2 3.02Å
207	Q	98.6	Very high	97.8	Very high	41 Å²	41	41.4 Å²	41.4	19%	0.192	21%	0.209	C	C	.	.			trans	-62.7	159.4	-178.3	77.4	-171.9	-34	0	0	112.5	E183 R184 N205 N209 N231	E183-Q207 CarbonylContact C-O 3.59Å; E183-Q207 WeakPolarHBondContact CA-O 2.88Å; E183-Q207 HydrophobicContact CB-CB 4.48Å; E183-Q207 HydrophobicContact CB-CG 3.38Å; E183-Q207 WeakPolarHBondContact CB-O 3.32Å; E183-Q207 HydrophobicContact CG-CG 4.21Å; R184-Q207 PolarHBondContact N-O 2.97Å; R184-Q207 VanDerWaalsContact N-O 3.08Å; N205-Q207 PolarHBondContact ND2-NE2 2.88Å; N205-Q207 WeakPolarHBondContact OD1-CB 3.44Å; N205-Q207 WeakPolarHBondContact OD1-CG 3.3Å; N205-Q207 PolarHBondContact OD1-N 3.43Å; Q207-N209 VanDerWaalsContact C-N 3.27Å; Q207-N209 PolarHBondContact O-N 3.16Å; Q207-N209 PolarHBondContact O-ND2 3.32Å; Q207-N231 CarbonylContact C-O 2.96Å; Q207-N231 WeakPolarHBondContact CA-O 3.49Å; Q207-N231 WeakPolarHBondContact CB-OD1 3.28Å; Q207-N231 PolarHBondContact OE1-ND2 3.39Å
208	E	98.8	Very high	97.8	Very high	71 Å²	71	40.6 Å²	40.6	33%	0.332	20%	0.201	S	C	.	.	S	Bend	trans	53.1	45.5	175.6	-61.7	-177.6	-130	0	0	112	R184 N231 D232	R184-E208 VanDerWaalsContact CA-O 3.24Å; R184-E208 WeakPolarHBondContact CA-O 3.3Å; R184-E208 HydrophobicContact CG-CB 3.83Å; R184-E208 HydrophobicContact CG-CG 4.41Å; R184-E208 VanDerWaalsContact CG-OE2 3.3Å; R184-E208 WeakPolarHBondContact CG-OE2 3.47Å; R184-E208 IonicContact CZ-OE1 2.79Å; R184-E208 IonicContact CZ-OE2 3.7Å; R184-E208 PolarHBondContact N-O 2.85Å; R184-E208 VanDerWaalsContact NE-CD 3.32Å; R184-E208 IonicContact NE-OE1 3.5Å; R184-E208 PolarHBondContact NE-OE1 3.1Å; R184-E208 IonicContact NE-OE2 3.84Å; R184-E208 PolarHBondContact NE-OE2 3.4Å; R184-E208 IonicContact NH2-OE1 3.36Å; R184-E208 PolarHBondContact NH2-OE1 3.14Å; R184-E208 IonicContact NH2-OE2 3.39Å; E208-N231 PolarHBondContact N-O 2.96Å; E208-D232 VanDerWaalsContact CA-O 3.26Å; E208-D232 WeakPolarHBondContact CA-O 3.17Å; E208-D232 HydrophobicContact CG-CB 4.1Å; E208-D232 PolarHBondContact N-O 3.19Å
209	N	98.9	Very high	97.8	Very high	11 Å²	11	40.7 Å²	40.7	6%	0.059	20%	0.201	C	C	.	.	S	Bend	trans	-113	-159.2	174.6	-88.7	-78.9	0	0	0	109.8	L182 N185 K186 I187 L206 Q207 I211 D232 N233	L182-N209 PolarHBondContact O-ND2 3.34Å; N185-N209 VanDerWaalsContact CA-OD1 3.25Å; N185-N209 WeakPolarHBondContact CA-OD1 3.49Å; N185-N209 WeakPolarHBondContact CB-OD1 3.29Å; N185-N209 PolarHBondContact N-OD1 3.21Å; N185-N209 PolarHBondContact O-OD1 2.79Å; K186-N209 PolarHBondContact N-OD1 3Å; I187-N209 HydrophobicContact CB-CB 4.24Å; I187-N209 WeakPolarHBondContact CB-OD1 3.17Å; I187-N209 WeakPolarHBondContact CG1-OD1 3.28Å; I187-N209 PolarHBondContact N-OD1 3.15Å; L206-N209 PolarHBondContact O-ND2 2.68Å; Q207-N209 VanDerWaalsContact C-N 3.27Å; Q207-N209 PolarHBondContact O-N 3.16Å; Q207-N209 PolarHBondContact O-ND2 3.32Å; N209-I211 HydrophobicContact CB-CD1 4.29Å; N209-I211 HydrophobicContact CB-CG1 4.06Å; N209-D232 PolarHBondContact N-O 3.01Å; N209-N233 VanDerWaalsContact CA-OD1 3.29Å; N209-N233 WeakPolarHBondContact CA-OD1 3.36Å; N209-N233 WeakPolarHBondContact CB-OD1 3.18Å; N209-N233 PolarHBondContact N-OD1 3.44Å; N209-N233 PolarHBondContact O-OD1 3.49Å
210	R	98.7	Very high	97.7	Very high	132 Å²	132	44.5 Å²	44.5	50%	0.498	21%	0.213	S	C	.	.			trans	-123.9	29.2	178.7	-59.5	-179.3	-177.4	-166.4	-5.2	111.1	I187 E188 N212 N233 L234	I187-R210 CarbonylContact O-C 3.53Å; I187-R210 VanDerWaalsContact O-CA 3.29Å; I187-R210 WeakPolarHBondContact O-CA 3.5Å; I187-R210 PolarHBondContact O-N 2.94Å; E188-R210 WeakPolarHBondContact CA-O 3.44Å; E188-R210 HydrophobicContact CG-CB 4.47Å; R210-N212 PolarHBondContact O-N 3.04Å; R210-N212 VanDerWaalsContact O-N 3.15Å; R210-N233 PolarHBondContact N-OD1 3.23Å; R210-L234 HydrophobicContact CB-CD1 4.08Å
211	I	98.8	Very high	97.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.			trans	-69.2	115.9	-171.2	-58.6	170.8	0	0	0	108.2	I187 E188 V190 L206 N209 I214 L230 N233 L234 L235	I187-I211 HydrophobicContact CB-CG1 4.3Å; I187-I211 HydrophobicContact CG2-CD1 4.3Å; I187-I211 HydrophobicContact CG2-CG1 4Å; I187-I211 WeakPolarHBondContact O-CG1 3.24Å; I187-I211 PolarHBondContact O-N 3.01Å; E188-I211 WeakPolarHBondContact O-CA 3.42Å; V190-I211 HydrophobicContact CG2-CD1 4.06Å; V190-I211 HydrophobicContact CG2-CG2 4.17Å; L206-I211 HydrophobicContact CB-CD1 3.89Å; L206-I211 HydrophobicContact CD1-CD1 4.05Å; L206-I211 HydrophobicContact CG-CD1 4.39Å; N209-I211 HydrophobicContact CB-CD1 4.29Å; N209-I211 HydrophobicContact CB-CG1 4.06Å; I211-I214 HydrophobicContact CG2-CG1 4.24Å; I211-L230 HydrophobicContact CD1-CD2 4.11Å; I211-N233 HydrophobicContact CB-CB 4.29Å; I211-N233 WeakPolarHBondContact CB-OD1 3.47Å; I211-N233 WeakPolarHBondContact CG1-OD1 3.39Å; I211-N233 PolarHBondContact N-OD1 3.01Å; I211-L234 CarbonylContact O-C 3.47Å; I211-L234 WeakPolarHBondContact O-CA 3.5Å; I211-L234 PolarHBondContact O-N 2.88Å; I211-L235 HydrophobicContact CG2-CD2 3.85Å; I211-L235 PolarHBondContact O-N 3.27Å
212	N	98.1	Very high	97.5	Very high	77 Å²	77	45.2 Å²	45.2	41%	0.412	22%	0.215	S	C	.	.			trans	-114.9	-13.4	175.5	66.4	-2.3	0	0	0	112.9	E188 R210 L234	E188-N212 PolarHBondContact O-N 2.93Å; E188-N212 PolarHBondContact O-OD1 3.03Å; R210-N212 PolarHBondContact O-N 3.04Å; R210-N212 VanDerWaalsContact O-N 3.15Å; N212-L234 HydrophobicContact CB-CB 4.02Å
213	V	97.3	Very high	97.4	Very high	59 Å²	59	43.7 Å²	43.7	36%	0.358	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.7	-178.1	175.5	0	0	0	0	110.7	A189 V190	A189-V213 VanDerWaalsContact CA-O 3.24Å; A189-V213 WeakPolarHBondContact CA-O 3.35Å; A189-V213 HydrophobicContact CB-CB 4.27Å; A189-V213 WeakPolarHBondContact CB-O 3.29Å; V190-V213 PolarHBondContact N-O 3.14Å
214	I	97.8	Very high	97.4	Very high	9 Å²	9	47.6 Å²	47.6	5%	0.046	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.4	167.5	-64.1	171.4	0	0	0	107.1	V190 I211 A218 F219 L230 L235 M238 P239	V190-I214 HydrophobicContact CB-CG1 4.39Å; V190-I214 HydrophobicContact CG2-CG1 4.35Å; I211-I214 HydrophobicContact CG2-CG1 4.24Å; I214-A218 HydrophobicContact CG2-CB 4.11Å; I214-F219 HydrophobicContact CD1-CE2 4.13Å; I214-F219 HydrophobicContact CD1-CZ 4.11Å; I214-F219 HydrophobicContact CG1-CZ 4.43Å; I214-F219 HydrophobicContact CG2-CE2 3.65Å; I214-F219 HydrophobicContact CG2-CZ 3.89Å; I214-L230 HydrophobicContact CD1-CD1 4.27Å; I214-L235 HydrophobicContact CD1-CD1 3.97Å; I214-L235 HydrophobicContact CD1-CD2 3.78Å; I214-L235 HydrophobicContact CG1-CD2 3.9Å; I214-M238 HydrophobicContact CD1-SD 4.32Å; I214-P239 HydrophobicContact CG2-CG 4.49Å; I214-P239 WeakPolarHBondContact O-CD 3.42Å; I214-P239 WeakPolarHBondContact O-CG 3.28Å
215	H	96.1	Very high	97.4	Very high	82 Å²	82	47.6 Å²	47.6	38%	0.38	23%	0.231	S	C	.	.			trans	-78.6	157.6	176.6	-71.3	-178.3	0	0	0	112	V190 N217 A218	V190-H215 PolarHBondContact O-N 3.17Å; H215-N217 PolarHBondContact O-N 3.21Å; H215-A218 VanDerWaalsContact O-CB 3.27Å; H215-A218 WeakPolarHBondContact O-CB 3.33Å; H215-A218 PolarHBondContact O-N 3.47Å
216	D	94.1	Very high	97.4	Very high	106 Å²	106	49.7 Å²	49.7	57%	0.567	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	138.2	172.4	-71.2	-55	0	0	0	111.5	A218 P239	D216-A218 PolarHBondContact O-N 3.01Å; D216-A218 VanDerWaalsContact O-N 3.1Å; D216-P239 WeakPolarHBondContact OD1-CB 3.46Å
217	N	93.4	Very high	97.4	Very high	69 Å²	69	51.7 Å²	51.7	37%	0.369	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	17.9	178.2	-50.1	-48.1	0	0	0	114.9	H215 F219 Q220	H215-N217 PolarHBondContact O-N 3.21Å; N217-F219 PolarHBondContact O-N 3.31Å; N217-Q220 HydrophobicContact CB-CB 4.16Å; N217-Q220 HydrophobicContact CB-CG 4.31Å; N217-Q220 WeakPolarHBondContact O-CB 3.46Å; N217-Q220 VanDerWaalsContact O-CG 3.27Å; N217-Q220 WeakPolarHBondContact O-CG 3.26Å; N217-Q220 PolarHBondContact O-N 3.14Å; N217-Q220 VanDerWaalsContact O-N 3.15Å
218	A	96.8	Very high	97.4	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.041	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.6	-179.4	0	0	0	0	0	114.7	V190 I214 H215 D216	V190-A218 HydrophobicContact CB-CB 4.5Å; V190-A218 HydrophobicContact CG1-CB 3.87Å; I214-A218 HydrophobicContact CG2-CB 4.11Å; H215-A218 VanDerWaalsContact O-CB 3.27Å; H215-A218 WeakPolarHBondContact O-CB 3.33Å; H215-A218 PolarHBondContact O-N 3.47Å; D216-A218 PolarHBondContact O-N 3.01Å; D216-A218 VanDerWaalsContact O-N 3.1Å
219	F	96.9	Very high	97.4	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	9	-178.8	-49.9	-53.8	0	0	0	114	V190 L195 I214 N217 D221 L222 F228 A242 F243 L246	V190-F219 HydrophobicContact CB-CE1 4.4Å; V190-F219 HydrophobicContact CB-CZ 4.37Å; V190-F219 HydrophobicContact CG1-CD1 4.5Å; V190-F219 HydrophobicContact CG1-CE1 3.66Å; V190-F219 HydrophobicContact CG1-CZ 4.09Å; V190-F219 HydrophobicContact CG2-CE1 4.48Å; V190-F219 HydrophobicContact CG2-CZ 4.37Å; L195-F219 HydrophobicContact CD1-CD1 3.82Å; L195-F219 HydrophobicContact CD1-CE1 3.83Å; I214-F219 HydrophobicContact CD1-CE2 4.13Å; I214-F219 HydrophobicContact CD1-CZ 4.11Å; I214-F219 HydrophobicContact CG1-CZ 4.43Å; I214-F219 HydrophobicContact CG2-CE2 3.65Å; I214-F219 HydrophobicContact CG2-CZ 3.89Å; N217-F219 PolarHBondContact O-N 3.31Å; F219-D221 PolarHBondContact O-N 2.86Å; F219-L222 HydrophobicContact CB-CD1 4.06Å; F219-L222 HydrophobicContact CB-CG 4.44Å; F219-L222 HydrophobicContact CD1-CD1 3.89Å; F219-L222 HydrophobicContact CG-CD1 4.4Å; F219-L222 WeakPolarHBondContact O-CB 3.49Å; F219-L222 PolarHBondContact O-N 3.02Å; F219-F228 HydrophobicContact CD1-CE1 4.19Å; F219-F228 HydrophobicContact CD1-CZ 4.09Å; F219-F228 HydrophobicContact CD2-CE1 4.1Å; F219-F228 AromaticContact CE1-CE1 3.96Å; F219-F228 HydrophobicContact CE1-CE1 3.96Å; F219-F228 AromaticContact CE1-CZ 3.5Å; F219-F228 HydrophobicContact CE1-CZ 3.5Å; F219-F228 VanDerWaalsContact CE1-CZ 3.5Å; F219-F228 AromaticContact CE2-CE1 3.9Å; F219-F228 HydrophobicContact CE2-CE1 3.9Å; F219-F228 HydrophobicContact CE2-CZ 4.08Å; F219-F228 HydrophobicContact CG-CE1 4.28Å; F219-F228 AromaticContact CZ-CE1 3.84Å; F219-F228 HydrophobicContact CZ-CE1 3.84Å; F219-F228 AromaticContact CZ-CZ 3.53Å; F219-F228 HydrophobicContact CZ-CZ 3.53Å; F219-A242 VanDerWaalsContact CD2-O 3.28Å; F219-A242 WeakPolarHBondContact CD2-O 3.42Å; F219-F243 AromaticContact CD2-CD1 3.96Å; F219-F243 HydrophobicContact CD2-CD1 3.96Å; F219-F243 HydrophobicContact CD2-CE1 4.22Å; F219-F243 HydrophobicContact CE2-CD1 4.22Å; F219-F243 HydrophobicContact CE2-CE1 4.01Å; F219-L246 HydrophobicContact CB-CD1 4.38Å; F219-L246 HydrophobicContact CB-CD2 4.21Å
220	Q	94.9	Very high	97.4	Very high	100 Å²	100	47.7 Å²	47.7	47%	0.467	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-29.6	-169	64.9	165.9	45.8	0	0	114.9	N217	N217-Q220 HydrophobicContact CB-CB 4.16Å; N217-Q220 HydrophobicContact CB-CG 4.31Å; N217-Q220 WeakPolarHBondContact O-CB 3.46Å; N217-Q220 VanDerWaalsContact O-CG 3.27Å; N217-Q220 WeakPolarHBondContact O-CG 3.26Å; N217-Q220 PolarHBondContact O-N 3.14Å; N217-Q220 VanDerWaalsContact O-N 3.15Å
221	D	96.5	Very high	97.4	Very high	44 Å²	44	41.8 Å²	41.8	24%	0.235	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-9	-175.5	-66.9	-10.8	0	0	0	111.7	Q196 G197 G199 F219 V223	Q196-D221 WeakPolarHBondContact CA-OD2 3.5Å; Q196-D221 VanDerWaalsContact CG-OD2 3.31Å; Q196-D221 WeakPolarHBondContact CG-OD2 3.03Å; G197-D221 PolarHBondContact N-OD2 3.22Å; G199-D221 WeakPolarHBondContact CA-O 3.21Å; F219-D221 PolarHBondContact O-N 2.86Å; D221-V223 PolarHBondContact O-N 3.32Å
222	L	97.8	Very high	97.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.224	C	C	.	.			trans	-82.7	45.1	-173.3	-51	-174.7	0	0	0	112.6	L195 L198 L201 L204 F219 R224 L225 L246	L195-L222 HydrophobicContact CB-CD2 4.35Å; L195-L222 HydrophobicContact CD1-CD1 4.16Å; L198-L222 HydrophobicContact CB-CD2 3.69Å; L201-L222 HydrophobicContact CB-CD2 4.23Å; L201-L222 HydrophobicContact CD2-CD1 4.42Å; L201-L222 HydrophobicContact CD2-CD2 3.88Å; L204-L222 HydrophobicContact CD2-CD1 4.09Å; F219-L222 HydrophobicContact CB-CD1 4.06Å; F219-L222 HydrophobicContact CB-CG 4.44Å; F219-L222 HydrophobicContact CD1-CD1 3.89Å; F219-L222 HydrophobicContact CG-CD1 4.4Å; F219-L222 WeakPolarHBondContact O-CB 3.49Å; F219-L222 PolarHBondContact O-N 3.02Å; L222-R224 PolarHBondContact O-N 3.08Å; L222-L225 HydrophobicContact CB-CB 4.1Å; L222-L225 HydrophobicContact CB-CD2 4.38Å; L222-L225 HydrophobicContact CD1-CD2 4.06Å; L222-L225 VanDerWaalsContact O-CB 3.29Å; L222-L225 WeakPolarHBondContact O-CB 3.34Å; L222-L225 PolarHBondContact O-N 3.25Å; L222-L246 HydrophobicContact CB-CD2 3.75Å; L222-L246 WeakPolarHBondContact O-CD2 3.41Å
223	V	96.8	Very high	97.4	Very high	69 Å²	69	41.1 Å²	41.1	42%	0.418	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-7.6	-170.6	-60.3	0	0	0	0	115	D221 R248	D221-V223 PolarHBondContact O-N 3.32Å; V223-R248 WeakPolarHBondContact O-CG 3.37Å
224	R	98.4	Very high	97.5	Very high	118 Å²	118	41.8 Å²	41.8	45%	0.445	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	8.5	176.6	-64.6	-167.2	179.7	110.9	-7.6	113.4	G199 S200 L201 L222 E226	G199-R224 WeakPolarHBondContact O-CG 3.07Å; G199-R224 PolarHBondContact O-NH1 2.92Å; S200-R224 PolarHBondContact OG-NH1 3.47Å; L201-R224 CarbonylContact O-C 3.02Å; L222-R224 PolarHBondContact O-N 3.08Å; R224-E226 PolarHBondContact O-N 3.39Å
225	L	98.8	Very high	97.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.			trans	-66.6	128.2	-176.7	-165.5	69.9	0	0	0	110	L201 L204 L222 F228 L246 R248 L249	L201-L225 HydrophobicContact CD2-CD1 4.13Å; L201-L225 HydrophobicContact CG-CD1 4.08Å; L201-L225 VanDerWaalsContact O-CA 3.24Å; L201-L225 WeakPolarHBondContact O-CA 3.45Å; L201-L225 PolarHBondContact O-N 3.24Å; L204-L225 HydrophobicContact CB-CD1 3.84Å; L222-L225 HydrophobicContact CB-CB 4.1Å; L222-L225 HydrophobicContact CB-CD2 4.38Å; L222-L225 HydrophobicContact CD1-CD2 4.06Å; L222-L225 VanDerWaalsContact O-CB 3.29Å; L222-L225 WeakPolarHBondContact O-CB 3.34Å; L222-L225 PolarHBondContact O-N 3.25Å; L225-F228 HydrophobicContact CD2-CB 3.77Å; L225-F228 HydrophobicContact CD2-CD1 3.86Å; L225-F228 HydrophobicContact CD2-CD2 4.4Å; L225-F228 HydrophobicContact CD2-CG 3.78Å; L225-F228 HydrophobicContact CG-CB 4.44Å; L225-L246 HydrophobicContact CB-CD2 4.42Å; L225-L246 HydrophobicContact CD2-CD1 4.42Å; L225-L246 HydrophobicContact CD2-CD2 4.43Å; L225-R248 CarbonylContact O-C 3.45Å; L225-L249 HydrophobicContact CB-CD1 4.32Å; L225-L249 HydrophobicContact CD2-CD1 4.06Å; L225-L249 HydrophobicContact CG-CD1 3.96Å; L225-L249 VanDerWaalsContact O-CA 3.24Å; L225-L249 WeakPolarHBondContact O-CA 3.43Å; L225-L249 PolarHBondContact O-N 3.35Å; L225-L249 VanDerWaalsContact O-N 3.12Å
226	E	98.8	Very high	97.6	Very high	47 Å²	47	40 Å²	40	22%	0.22	21%	0.205	C	C	.	.			trans	-109.5	-39.3	-178.7	-67.2	174.8	-156.9	0	0	111.2	R202 R224 K250 M251	R202-E226 IonicContact CZ-OE1 3.4Å; R202-E226 IonicContact NH1-OE1 2.81Å; R202-E226 PolarHBondContact NH1-OE1 3.24Å; R202-E226 WeakPolarHBondContact O-CA 3.37Å; R202-E226 PolarHBondContact O-N 2.98Å; R224-E226 PolarHBondContact O-N 3.39Å; E226-K250 PolarHBondContact O-N 3.43Å; E226-M251 PolarHBondContact O-N 2.91Å
227	N	98.9	Very high	97.5	Very high	42 Å²	42	39.9 Å²	39.9	23%	0.225	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	120.9	-176.5	-57.4	-83.5	0	0	0	110.2	R202 Y203 L204 Y229	R202-N227 PolarHBondContact O-N 3.02Å; Y203-N227 WeakPolarHBondContact CA-O 3.39Å; Y203-N227 HydrophobicContact CD2-CB 3.78Å; Y203-N227 HydrophobicContact CE2-CB 4.33Å; L204-N227 PolarHBondContact N-O 3.35Å; N227-Y229 HydrophobicContact CB-CE2 3.88Å
228	F	98.8	Very high	97.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	117.2	-178.7	-167.2	-169.5	0	0	0	112	L204 L206 F219 L225 L230 F243 L246 L249 M251 L252 N253	L204-F228 HydrophobicContact CB-CD2 4.05Å; L204-F228 HydrophobicContact CB-CE2 4.34Å; L204-F228 HydrophobicContact CD2-CD2 4.1Å; L204-F228 HydrophobicContact CD2-CE2 3.58Å; L204-F228 HydrophobicContact CD2-CZ 4.09Å; L204-F228 HydrophobicContact CG-CD2 4.06Å; L204-F228 HydrophobicContact CG-CE2 3.85Å; L206-F228 HydrophobicContact CD1-CE2 4.08Å; F219-F228 HydrophobicContact CD1-CE1 4.19Å; F219-F228 HydrophobicContact CD1-CZ 4.09Å; F219-F228 HydrophobicContact CD2-CE1 4.1Å; F219-F228 AromaticContact CE1-CE1 3.96Å; F219-F228 HydrophobicContact CE1-CE1 3.96Å; F219-F228 AromaticContact CE1-CZ 3.5Å; F219-F228 HydrophobicContact CE1-CZ 3.5Å; F219-F228 VanDerWaalsContact CE1-CZ 3.5Å; F219-F228 AromaticContact CE2-CE1 3.9Å; F219-F228 HydrophobicContact CE2-CE1 3.9Å; F219-F228 HydrophobicContact CE2-CZ 4.08Å; F219-F228 HydrophobicContact CG-CE1 4.28Å; F219-F228 AromaticContact CZ-CE1 3.84Å; F219-F228 HydrophobicContact CZ-CE1 3.84Å; F219-F228 AromaticContact CZ-CZ 3.53Å; F219-F228 HydrophobicContact CZ-CZ 3.53Å; L225-F228 HydrophobicContact CD2-CB 3.77Å; L225-F228 HydrophobicContact CD2-CD1 3.86Å; L225-F228 HydrophobicContact CD2-CD2 4.4Å; L225-F228 HydrophobicContact CD2-CG 3.78Å; L225-F228 HydrophobicContact CG-CB 4.44Å; F228-L230 HydrophobicContact CD1-CD1 4.33Å; F228-L230 HydrophobicContact CD2-CG 4.22Å; F228-L230 HydrophobicContact CE1-CD1 3.67Å; F228-L230 HydrophobicContact CE1-CG 4.25Å; F228-L230 HydrophobicContact CE2-CD1 3.98Å; F228-L230 HydrophobicContact CE2-CD2 3.97Å; F228-L230 HydrophobicContact CE2-CG 3.61Å; F228-L230 HydrophobicContact CZ-CD1 3.46Å; F228-L230 VanDerWaalsContact CZ-CD1 3.46Å; F228-L230 HydrophobicContact CZ-CD2 3.96Å; F228-L230 HydrophobicContact CZ-CG 3.63Å; F228-F243 HydrophobicContact CD1-CE1 4.33Å; F228-F243 HydrophobicContact CE1-CD1 4.34Å; F228-F243 AromaticContact CE1-CE1 3.94Å; F228-F243 HydrophobicContact CE1-CE1 3.94Å; F228-L246 HydrophobicContact CD1-CD1 4.3Å; F228-L249 HydrophobicContact CB-CD1 3.78Å; F228-M251 PolarHBondContact N-O 3.24Å; F228-L252 HydrophobicContact CB-CD1 4.14Å; F228-L252 HydrophobicContact CD1-CD1 4.06Å; F228-L252 HydrophobicContact CG-CD1 4.31Å; F228-N253 PolarHBondContact O-N 3.45Å
229	Y	98.9	Very high	97.4	Very high	40 Å²	40	38.2 Å²	38.2	16%	0.157	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.2	179.6	-55.9	-92.8	0	0	0	110.5	Y203 L204 N205 L206 N227 M251 N253	Y203-Y229 HydrophobicContact CD2-CE2 4.08Å; Y203-Y229 HydrophobicContact CE2-CD2 4.07Å; Y203-Y229 AromaticContact CE2-CE2 3.32Å; Y203-Y229 HydrophobicContact CE2-CE2 3.32Å; Y203-Y229 AromaticContact CZ-CD2 3.99Å; Y203-Y229 AromaticContact CZ-CE2 3.66Å; L204-Y229 PolarHBondContact O-N 2.97Å; N205-Y229 HydrophobicContact CB-CD2 4.29Å; N205-Y229 WeakPolarHBondContact OD1-CB 3.04Å; L206-Y229 CarbonylContact C-O 3.05Å; L206-Y229 WeakPolarHBondContact CA-O 3.25Å; L206-Y229 PolarHBondContact N-O 3.25Å; N227-Y229 HydrophobicContact CB-CE2 3.88Å; Y229-M251 HydrophobicContact CE1-CE 4.08Å; Y229-M251 HydrophobicContact CE1-SD 3.88Å; Y229-M251 PolarHBondContact OH-SD 3.02Å; Y229-N253 HydrophobicContact CD1-CB 3.95Å
230	L	98.6	Very high	97.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.229	C	C	.	.			trans	-122.6	11.5	174.1	-79	168.9	0	0	0	111.4	L206 I211 I214 F228 N233 L235 F243 N253 L254 N257	L206-L230 HydrophobicContact CB-CD2 4.05Å; L206-L230 HydrophobicContact CD1-CD2 4Å; I211-L230 HydrophobicContact CD1-CD2 4.11Å; I214-L230 HydrophobicContact CD1-CD1 4.27Å; F228-L230 HydrophobicContact CD1-CD1 4.33Å; F228-L230 HydrophobicContact CD2-CG 4.22Å; F228-L230 HydrophobicContact CE1-CD1 3.67Å; F228-L230 HydrophobicContact CE1-CG 4.25Å; F228-L230 HydrophobicContact CE2-CD1 3.98Å; F228-L230 HydrophobicContact CE2-CD2 3.97Å; F228-L230 HydrophobicContact CE2-CG 3.61Å; F228-L230 HydrophobicContact CZ-CD1 3.46Å; F228-L230 VanDerWaalsContact CZ-CD1 3.46Å; F228-L230 HydrophobicContact CZ-CD2 3.96Å; F228-L230 HydrophobicContact CZ-CG 3.63Å; L230-N233 PolarHBondContact O-ND2 3.19Å; L230-L235 HydrophobicContact CB-CD1 4.47Å; L230-F243 HydrophobicContact CD1-CE1 4.22Å; L230-F243 HydrophobicContact CD1-CZ 4.45Å; L230-N253 CarbonylContact C-O 3.22Å; L230-N253 WeakPolarHBondContact CA-O 3.46Å; L230-N253 PolarHBondContact N-O 3.33Å; L230-L254 HydrophobicContact CB-CD2 3.96Å; L230-L254 HydrophobicContact CD1-CD2 3.87Å; L230-N257 PolarHBondContact O-ND2 3.27Å
231	N	98.8	Very high	97	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.037	23%	0.228	C	C	.	.			trans	-66.7	157.2	-176.5	54.4	-74.5	0	0	0	113.7	Q207 E208 N233 N253 G255	Q207-N231 CarbonylContact C-O 2.96Å; Q207-N231 WeakPolarHBondContact CA-O 3.49Å; Q207-N231 WeakPolarHBondContact CB-OD1 3.28Å; Q207-N231 PolarHBondContact OE1-ND2 3.39Å; E208-N231 PolarHBondContact N-O 2.96Å; N231-N233 PolarHBondContact O-N 3.45Å; N231-N233 PolarHBondContact O-ND2 3.09Å; N231-N253 HydrophobicContact CB-CB 4.47Å; N231-N253 WeakPolarHBondContact CB-OD1 3.4Å; N231-N253 PolarHBondContact N-O 3.43Å; N231-N253 PolarHBondContact OD1-ND2 2.89Å; N231-G255 CarbonylContact C-O 3.55Å; N231-G255 WeakPolarHBondContact CA-O 3.11Å; N231-G255 WeakPolarHBondContact CB-O 3.3Å
232	D	98.8	Very high	96.7	Very high	57 Å²	57	44.5 Å²	44.5	31%	0.305	22%	0.217	S	C	.	.	S	Bend	trans	55.9	53.1	176.8	-49.1	-61.6	0	0	0	111	E208 N209 G255 G256 R280	E208-D232 VanDerWaalsContact CA-O 3.26Å; E208-D232 WeakPolarHBondContact CA-O 3.17Å; E208-D232 HydrophobicContact CG-CB 4.1Å; E208-D232 PolarHBondContact N-O 3.19Å; N209-D232 PolarHBondContact N-O 3.01Å; D232-G255 PolarHBondContact N-O 2.77Å; D232-G256 VanDerWaalsContact CA-O 3.22Å; D232-G256 WeakPolarHBondContact CA-O 3.37Å; D232-G256 PolarHBondContact N-O 2.93Å; D232-R280 IonicContact OD1-CZ 3.34Å; D232-R280 IonicContact OD1-NE 3.64Å; D232-R280 IonicContact OD1-NH2 2.68Å; D232-R280 PolarHBondContact OD1-NH2 3.2Å; D232-R280 IonicContact OD2-NH2 3.32Å; D232-R280 PolarHBondContact OD2-NH2 2.92Å
233	N	98.9	Very high	96.5	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.037	22%	0.218	C	C	.	.	S	Bend	trans	-124.6	-164.2	176.8	-87.6	-75	0	0	0	109.8	L206 N209 R210 I211 L230 N231 G256 N257	L206-N233 PolarHBondContact O-ND2 3.02Å; N209-N233 VanDerWaalsContact CA-OD1 3.29Å; N209-N233 WeakPolarHBondContact CA-OD1 3.36Å; N209-N233 WeakPolarHBondContact CB-OD1 3.18Å; N209-N233 PolarHBondContact N-OD1 3.44Å; N209-N233 PolarHBondContact O-OD1 3.49Å; R210-N233 PolarHBondContact N-OD1 3.23Å; I211-N233 HydrophobicContact CB-CB 4.29Å; I211-N233 WeakPolarHBondContact CB-OD1 3.47Å; I211-N233 WeakPolarHBondContact CG1-OD1 3.39Å; I211-N233 PolarHBondContact N-OD1 3.01Å; L230-N233 PolarHBondContact O-ND2 3.19Å; N231-N233 PolarHBondContact O-N 3.45Å; N231-N233 PolarHBondContact O-ND2 3.09Å; N233-G256 PolarHBondContact N-O 2.95Å; N233-N257 WeakPolarHBondContact CA-OD1 3.47Å; N233-N257 WeakPolarHBondContact CB-OD1 3.2Å; N233-N257 PolarHBondContact O-OD1 2.99Å
234	L	98.7	Very high	96.3	Very high	72 Å²	72	48.5 Å²	48.5	38%	0.377	23%	0.225	S	C	.	.			trans	-119.6	27.7	-174.9	-56	175.6	0	0	0	112	R210 I211 N212 S236 N257	R210-L234 HydrophobicContact CB-CD1 4.08Å; I211-L234 CarbonylContact O-C 3.47Å; I211-L234 WeakPolarHBondContact O-CA 3.5Å; I211-L234 PolarHBondContact O-N 2.88Å; N212-L234 HydrophobicContact CB-CB 4.02Å; L234-S236 PolarHBondContact O-N 3.11Å; L234-N257 PolarHBondContact N-OD1 2.91Å
235	L	98.4	Very high	96	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.			trans	-72.5	118.5	-177.3	-64.5	171.2	0	0	0	110.4	I211 I214 L230 L254 N257 Q258 L259	I211-L235 HydrophobicContact CG2-CD2 3.85Å; I211-L235 PolarHBondContact O-N 3.27Å; I214-L235 HydrophobicContact CD1-CD1 3.97Å; I214-L235 HydrophobicContact CD1-CD2 3.78Å; I214-L235 HydrophobicContact CG1-CD2 3.9Å; L230-L235 HydrophobicContact CB-CD1 4.47Å; L235-L254 HydrophobicContact CD1-CD2 4.46Å; L235-N257 HydrophobicContact CB-CB 4.16Å; L235-N257 WeakPolarHBondContact CB-OD1 3.14Å; L235-N257 PolarHBondContact N-OD1 2.99Å; L235-Q258 CarbonylContact O-C 2.97Å; L235-Q258 VanDerWaalsContact O-CA 3.28Å; L235-Q258 WeakPolarHBondContact O-CA 3.2Å; L235-Q258 PolarHBondContact O-N 3.23Å; L235-L259 HydrophobicContact CB-CD2 4.25Å; L235-L259 PolarHBondContact O-N 3.24Å
236	S	96.8	Very high	95.9	Very high	55 Å²	55	44.1 Å²	44.1	39%	0.385	22%	0.216	S	C	.	.	S	Bend	trans	-101.6	-24.6	172.5	58.7	0	0	0	0	113.1	L234 Q258	L234-S236 PolarHBondContact O-N 3.11Å; S236-Q258 WeakPolarHBondContact CA-O 3.27Å
237	N	93.5	Very high	95.7	Very high	102 Å²	102	44.5 Å²	44.5	55%	0.545	22%	0.224	S	C	.	.			trans	-146.3	167.3	175.6	61.3	18.1	0	0	0	110.7
238	M	93.6	Very high	95.7	Very high	16 Å²	16	48.5 Å²	48.5	8%	0.079	24%	0.236	C	C	.	.			trans	-137.5	148.5	172.6	-66.4	-164.9	-66.1	0	0	110.4	I214 A242 F243 L254 L259 W266	I214-M238 HydrophobicContact CD1-SD 4.32Å; M238-A242 HydrophobicContact CB-CB 4.32Å; M238-F243 HydrophobicContact CE-CE2 3.42Å; M238-F243 VanDerWaalsContact CE-CE2 3.42Å; M238-F243 HydrophobicContact CE-CZ 3.72Å; M238-F243 HydrophobicContact SD-CE1 4.46Å; M238-F243 HydrophobicContact SD-CE2 3.76Å; M238-F243 HydrophobicContact SD-CZ 3.44Å; M238-F243 WeakPolarHBondContact SD-CZ 3.2Å; M238-L254 HydrophobicContact CE-CD1 3.87Å; M238-L254 HydrophobicContact CE-CD2 4.32Å; M238-L254 HydrophobicContact SD-CD2 4.08Å; M238-L259 HydrophobicContact CG-CD2 4.48Å; M238-W266 HydrophobicContact CB-CZ2 3.91Å; M238-W266 HydrophobicContact CE-CD2 3.58Å; M238-W266 HydrophobicContact CE-CE3 3.46Å; M238-W266 VanDerWaalsContact CE-CE3 3.46Å; M238-W266 HydrophobicContact CE-CG 4.28Å; M238-W266 HydrophobicContact CE-CH2 3.82Å; M238-W266 HydrophobicContact CE-CZ2 3.93Å; M238-W266 HydrophobicContact CE-CZ3 3.58Å; M238-W266 HydrophobicContact CG-CZ2 4.46Å
239	P	93.9	Very high	95.7	Very high	23 Å²	23	48.5 Å²	48.5	15%	0.149	24%	0.236	C	C	.	.			trans	-53.8	146.8	171.1	-24.6	31.8	0	0	0	112.5	I214 D216 L241 A242	I214-P239 HydrophobicContact CG2-CG 4.49Å; I214-P239 WeakPolarHBondContact O-CD 3.42Å; I214-P239 WeakPolarHBondContact O-CG 3.28Å; D216-P239 WeakPolarHBondContact OD1-CB 3.46Å; P239-L241 PolarHBondContact O-N 2.91Å; P239-L241 VanDerWaalsContact O-N 3.1Å; P239-A242 HydrophobicContact CB-CB 4.16Å; P239-A242 HydrophobicContact CG-CB 4.35Å; P239-A242 WeakPolarHBondContact O-CB 3.45Å; P239-A242 PolarHBondContact O-N 2.87Å
240	R	91.5	Very high	95.7	Very high	193 Å²	193	50.1 Å²	50.1	73%	0.728	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-38.4	-177.9	-75.6	-171.4	-71.7	-122.3	-1	113.1	T265	R240-T265 CarbonylContact O-C 3.49Å; R240-T265 VanDerWaalsContact O-CB 3.28Å; R240-T265 WeakPolarHBondContact O-CB 3.19Å; R240-T265 PolarHBondContact O-OG1 3.43Å
241	L	91	Very high	95.7	Very high	83 Å²	83	51.9 Å²	51.9	44%	0.435	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	31.1	-177.6	-59.9	178.3	0	0	0	111.6	P239 F243 R244	P239-L241 PolarHBondContact O-N 2.91Å; P239-L241 VanDerWaalsContact O-N 3.1Å; L241-F243 PolarHBondContact O-N 2.93Å; L241-R244 HydrophobicContact CB-CB 4.16Å; L241-R244 WeakPolarHBondContact O-CB 3.47Å; L241-R244 PolarHBondContact O-N 3.13Å
242	A	90.6	Very high	95.7	Very high	2 Å²	2	51.5 Å²	51.5	2%	0.017	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-43.6	-175.7	0	0	0	0	0	112.3	F219 M238 P239	F219-A242 VanDerWaalsContact CD2-O 3.28Å; F219-A242 WeakPolarHBondContact CD2-O 3.42Å; M238-A242 HydrophobicContact CB-CB 4.32Å; P239-A242 HydrophobicContact CB-CB 4.16Å; P239-A242 HydrophobicContact CG-CB 4.35Å; P239-A242 WeakPolarHBondContact O-CB 3.45Å; P239-A242 PolarHBondContact O-N 2.87Å
243	F	94.7	Very high	95.7	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.013	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	18.1	-175	-53.8	-58.1	0	0	0	114.7	F219 F228 L230 M238 L241 G245 L246 L252 L254 W266 F267 M270	F219-F243 AromaticContact CD2-CD1 3.96Å; F219-F243 HydrophobicContact CD2-CD1 3.96Å; F219-F243 HydrophobicContact CD2-CE1 4.22Å; F219-F243 HydrophobicContact CE2-CD1 4.22Å; F219-F243 HydrophobicContact CE2-CE1 4.01Å; F228-F243 HydrophobicContact CD1-CE1 4.33Å; F228-F243 HydrophobicContact CE1-CD1 4.34Å; F228-F243 AromaticContact CE1-CE1 3.94Å; F228-F243 HydrophobicContact CE1-CE1 3.94Å; L230-F243 HydrophobicContact CD1-CE1 4.22Å; L230-F243 HydrophobicContact CD1-CZ 4.45Å; M238-F243 HydrophobicContact CE-CE2 3.42Å; M238-F243 VanDerWaalsContact CE-CE2 3.42Å; M238-F243 HydrophobicContact CE-CZ 3.72Å; M238-F243 HydrophobicContact SD-CE1 4.46Å; M238-F243 HydrophobicContact SD-CE2 3.76Å; M238-F243 HydrophobicContact SD-CZ 3.44Å; M238-F243 WeakPolarHBondContact SD-CZ 3.2Å; L241-F243 PolarHBondContact O-N 2.93Å; F243-G245 PolarHBondContact O-N 2.78Å; F243-L246 HydrophobicContact CB-CD1 3.9Å; F243-L246 HydrophobicContact CB-CG 4.31Å; F243-L246 HydrophobicContact CD1-CD1 3.76Å; F243-L246 HydrophobicContact CG-CD1 4.27Å; F243-L246 WeakPolarHBondContact O-CB 3.35Å; F243-L246 WeakPolarHBondContact O-CG 3.1Å; F243-L246 PolarHBondContact O-N 3.19Å; F243-L252 HydrophobicContact CE2-CD2 4.19Å; F243-L252 HydrophobicContact CZ-CD1 4.49Å; F243-L252 HydrophobicContact CZ-CD2 4.32Å; F243-L254 HydrophobicContact CE2-CD1 4.35Å; F243-L254 HydrophobicContact CZ-CD1 4.33Å; F243-L254 HydrophobicContact CZ-CD2 4.18Å; F243-W266 HydrophobicContact CD2-CB 4.35Å; F243-W266 WeakPolarHBondContact CD2-O 3.34Å; F243-F267 HydrophobicContact CE2-CE1 4.39Å; F243-M270 HydrophobicContact CB-CE 3.13Å; F243-M270 HydrophobicContact CD1-CE 4.28Å; F243-M270 HydrophobicContact CD2-CE 3.59Å; F243-M270 HydrophobicContact CG-CE 3.43Å; F243-M270 VanDerWaalsContact CG-CE 3.43Å
244	R	92.9	Very high	95.7	Very high	152 Å²	152	49.4 Å²	49.4	57%	0.574	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	132.3	178.4	-175.9	-178.8	-178.7	-172.9	0.6	110.5	L241	L241-R244 HydrophobicContact CB-CB 4.16Å; L241-R244 WeakPolarHBondContact O-CB 3.47Å; L241-R244 PolarHBondContact O-N 3.13Å
245	G	90.6	Very high	95.7	Very high	25 Å²	25	46 Å²	46	26%	0.258	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	-2.6	178.8	0	0	0	0	0	115.9	F243 S247 D269	F243-G245 PolarHBondContact O-N 2.78Å; G245-S247 PolarHBondContact O-N 3.33Å; G245-D269 PolarHBondContact N-OD2 3.12Å
246	L	96.7	Very high	95.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.			trans	-78.5	54.7	175.4	-57.6	-170.3	0	0	0	112.2	F219 L222 L225 F228 F243 R248 L249	F219-L246 HydrophobicContact CB-CD1 4.38Å; F219-L246 HydrophobicContact CB-CD2 4.21Å; L222-L246 HydrophobicContact CB-CD2 3.75Å; L222-L246 WeakPolarHBondContact O-CD2 3.41Å; L225-L246 HydrophobicContact CB-CD2 4.42Å; L225-L246 HydrophobicContact CD2-CD1 4.42Å; L225-L246 HydrophobicContact CD2-CD2 4.43Å; F228-L246 HydrophobicContact CD1-CD1 4.3Å; F243-L246 HydrophobicContact CB-CD1 3.9Å; F243-L246 HydrophobicContact CB-CG 4.31Å; F243-L246 HydrophobicContact CD1-CD1 3.76Å; F243-L246 HydrophobicContact CG-CD1 4.27Å; F243-L246 WeakPolarHBondContact O-CB 3.35Å; F243-L246 WeakPolarHBondContact O-CG 3.1Å; F243-L246 PolarHBondContact O-N 3.19Å; L246-R248 VanDerWaalsContact C-N 3.29Å; L246-R248 PolarHBondContact O-N 3.33Å; L246-L249 HydrophobicContact CB-CB 4.34Å; L246-L249 HydrophobicContact CD1-CD2 4.38Å; L246-L249 WeakPolarHBondContact O-CB 3.45Å; L246-L249 PolarHBondContact O-N 3.08Å
247	S	95.7	Very high	95.8	Very high	55 Å²	55	44.5 Å²	44.5	39%	0.385	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.2	-170.8	56.8	0	0	0	0	115.4	G245 D269	G245-S247 PolarHBondContact O-N 3.33Å; S247-D269 WeakPolarHBondContact CA-O 3.44Å
248	R	98.1	Very high	96	Very high	126 Å²	126	43.2 Å²	43.2	48%	0.475	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	4.6	177.3	-63.1	-59.6	-170.9	171.9	0.7	113.4	V223 L225 L246 K250 E272	V223-R248 WeakPolarHBondContact O-CG 3.37Å; L225-R248 CarbonylContact O-C 3.45Å; L246-R248 VanDerWaalsContact C-N 3.29Å; L246-R248 PolarHBondContact O-N 3.33Å; R248-K250 PolarHBondContact O-N 3.42Å; R248-E272 IonicContact CZ-OE1 3.6Å; R248-E272 IonicContact NE-OE1 2.83Å; R248-E272 IonicContact NH1-OE1 2.72Å; R248-E272 PolarHBondContact NH1-OE1 2.99Å; R248-E272 IonicContact NH1-OE2 2.65Å
249	L	98.5	Very high	96.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.2	C	C	.	.			trans	-71	125.7	-173.7	-160.3	71.4	0	0	0	109.9	L225 F228 L246 L252 M270 E272 L273	L225-L249 HydrophobicContact CB-CD1 4.32Å; L225-L249 HydrophobicContact CD2-CD1 4.06Å; L225-L249 HydrophobicContact CG-CD1 3.96Å; L225-L249 VanDerWaalsContact O-CA 3.24Å; L225-L249 WeakPolarHBondContact O-CA 3.43Å; L225-L249 PolarHBondContact O-N 3.35Å; L225-L249 VanDerWaalsContact O-N 3.12Å; F228-L249 HydrophobicContact CB-CD1 3.78Å; L246-L249 HydrophobicContact CB-CB 4.34Å; L246-L249 HydrophobicContact CD1-CD2 4.38Å; L246-L249 WeakPolarHBondContact O-CB 3.45Å; L246-L249 PolarHBondContact O-N 3.08Å; L249-L252 HydrophobicContact CD2-CB 3.87Å; L249-L252 HydrophobicContact CD2-CD1 4.27Å; L249-L252 HydrophobicContact CD2-CD2 4.25Å; L249-L252 HydrophobicContact CD2-CG 4.35Å; L249-M270 HydrophobicContact CD2-CE 3.99Å; L249-M270 HydrophobicContact CD2-SD 3.97Å; L249-E272 CarbonylContact O-C 3.22Å; L249-L273 HydrophobicContact CB-CD1 4.41Å; L249-L273 HydrophobicContact CD2-CD1 4.16Å; L249-L273 HydrophobicContact CG-CD1 4.09Å; L249-L273 WeakPolarHBondContact O-CA 3.41Å; L249-L273 PolarHBondContact O-N 2.83Å; L249-L273 VanDerWaalsContact O-N 3.13Å
250	K	98.8	Very high	96.4	Very high	74 Å²	74	44.9 Å²	44.9	32%	0.322	21%	0.211	S	C	.	.			trans	-107.7	-34.4	179.4	-64.2	-175.5	176.5	-175	0	112.2	E226 R248 E274 V275	E226-K250 PolarHBondContact O-N 3.43Å; R248-K250 PolarHBondContact O-N 3.42Å; K250-E274 PolarHBondContact O-N 3.12Å; K250-V275 PolarHBondContact O-N 2.95Å
251	M	98.8	Very high	96.7	Very high	37 Å²	37	38.8 Å²	38.8	18%	0.182	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123.3	179.7	-172.3	-179.4	-159.1	0	0	110.3	E226 F228 Y229 V275 Y277	E226-M251 PolarHBondContact O-N 2.91Å; F228-M251 PolarHBondContact N-O 3.24Å; Y229-M251 HydrophobicContact CE1-CE 4.08Å; Y229-M251 HydrophobicContact CE1-SD 3.88Å; Y229-M251 PolarHBondContact OH-SD 3.02Å; M251-V275 WeakPolarHBondContact CA-O 3.21Å; M251-V275 HydrophobicContact CG-CB 4.27Å; M251-Y277 HydrophobicContact CE-CD2 4.37Å; M251-Y277 HydrophobicContact CE-CE2 3.4Å; M251-Y277 VanDerWaalsContact CE-CE2 3.4Å
252	L	98.9	Very high	97	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.2	173	179.2	56.6	0	0	0	109.7	F228 F243 L249 L254 F267 M270 L273 V275 L276 Y277	F228-L252 HydrophobicContact CB-CD1 4.14Å; F228-L252 HydrophobicContact CD1-CD1 4.06Å; F228-L252 HydrophobicContact CG-CD1 4.31Å; F243-L252 HydrophobicContact CE2-CD2 4.19Å; F243-L252 HydrophobicContact CZ-CD1 4.49Å; F243-L252 HydrophobicContact CZ-CD2 4.32Å; L249-L252 HydrophobicContact CD2-CB 3.87Å; L249-L252 HydrophobicContact CD2-CD1 4.27Å; L249-L252 HydrophobicContact CD2-CD2 4.25Å; L249-L252 HydrophobicContact CD2-CG 4.35Å; L252-L254 HydrophobicContact CD1-CG 4.2Å; L252-L254 HydrophobicContact CD2-CD1 3.96Å; L252-L254 HydrophobicContact CD2-CG 4.41Å; L252-L254 HydrophobicContact CG-CD1 4.19Å; L252-L254 HydrophobicContact CG-CG 4.11Å; L252-F267 HydrophobicContact CD2-CD1 4.31Å; L252-F267 HydrophobicContact CD2-CE1 3.83Å; L252-M270 HydrophobicContact CD2-CE 4.04Å; L252-M270 HydrophobicContact CD2-SD 4.15Å; L252-L273 HydrophobicContact CB-CD1 3.9Å; L252-V275 PolarHBondContact N-O 3.31Å; L252-L276 HydrophobicContact CB-CD1 4.08Å; L252-L276 HydrophobicContact CD2-CD1 4.06Å; L252-L276 HydrophobicContact CG-CD1 4.11Å; L252-Y277 PolarHBondContact O-N 3.1Å
253	N	98.9	Very high	97.2	Very high	19 Å²	19	35.7 Å²	35.7	10%	0.102	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	109.1	175.7	-164.7	-12.5	0	0	0	112	F228 Y229 L230 N231 G255 Y277	F228-N253 PolarHBondContact O-N 3.45Å; Y229-N253 HydrophobicContact CD1-CB 3.95Å; L230-N253 CarbonylContact C-O 3.22Å; L230-N253 WeakPolarHBondContact CA-O 3.46Å; L230-N253 PolarHBondContact N-O 3.33Å; N231-N253 HydrophobicContact CB-CB 4.47Å; N231-N253 WeakPolarHBondContact CB-OD1 3.4Å; N231-N253 PolarHBondContact N-O 3.43Å; N231-N253 PolarHBondContact OD1-ND2 2.89Å; N253-G255 PolarHBondContact OD1-N 2.9Å; N253-Y277 HydrophobicContact CB-CD2 4.02Å; N253-Y277 HydrophobicContact CB-CG 4.43Å; N253-Y277 WeakPolarHBondContact OD1-CB 3.5Å
254	L	98.8	Very high	97.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.			trans	-112.4	9.5	175.1	-67.8	166.8	0	0	0	112.1	L230 L235 M238 F243 L252 N257 L259 F267 Y277 L278 N281	L230-L254 HydrophobicContact CB-CD2 3.96Å; L230-L254 HydrophobicContact CD1-CD2 3.87Å; L235-L254 HydrophobicContact CD1-CD2 4.46Å; M238-L254 HydrophobicContact CE-CD1 3.87Å; M238-L254 HydrophobicContact CE-CD2 4.32Å; M238-L254 HydrophobicContact SD-CD2 4.08Å; F243-L254 HydrophobicContact CE2-CD1 4.35Å; F243-L254 HydrophobicContact CZ-CD1 4.33Å; F243-L254 HydrophobicContact CZ-CD2 4.18Å; L252-L254 HydrophobicContact CD1-CG 4.2Å; L252-L254 HydrophobicContact CD2-CD1 3.96Å; L252-L254 HydrophobicContact CD2-CG 4.41Å; L252-L254 HydrophobicContact CG-CD1 4.19Å; L252-L254 HydrophobicContact CG-CG 4.11Å; L254-N257 PolarHBondContact O-ND2 3.18Å; L254-L259 HydrophobicContact CB-CD1 4.31Å; L254-F267 HydrophobicContact CD1-CE1 4.41Å; L254-Y277 CarbonylContact C-O 3.55Å; L254-Y277 WeakPolarHBondContact CA-O 3.31Å; L254-Y277 WeakPolarHBondContact CB-O 3.33Å; L254-Y277 PolarHBondContact N-O 2.95Å; L254-L278 HydrophobicContact CB-CD2 4.12Å; L254-L278 HydrophobicContact CD1-CD2 4.03Å; L254-N281 PolarHBondContact O-ND2 3.03Å
255	G	98.8	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.			trans	-65.9	155.9	-176	0	0	0	0	0	113.2	N231 D232 N253 N257 Y277 D279	N231-G255 CarbonylContact C-O 3.55Å; N231-G255 WeakPolarHBondContact CA-O 3.11Å; N231-G255 WeakPolarHBondContact CB-O 3.3Å; D232-G255 PolarHBondContact N-O 2.77Å; N253-G255 PolarHBondContact OD1-N 2.9Å; G255-N257 PolarHBondContact O-ND2 3.06Å; G255-Y277 PolarHBondContact N-O 2.61Å; G255-D279 CarbonylContact C-O 3.27Å; G255-D279 WeakPolarHBondContact CA-O 3.1Å
256	G	98.8	Very high	97.5	Very high	15 Å²	15	36.3 Å²	36.3	16%	0.155	18%	0.181	C	C	.	.	S	Bend	trans	68.6	35.2	178.9	0	0	0	0	0	113.6	D232 N233 D279 R280	D232-G256 VanDerWaalsContact CA-O 3.22Å; D232-G256 WeakPolarHBondContact CA-O 3.37Å; D232-G256 PolarHBondContact N-O 2.93Å; N233-G256 PolarHBondContact N-O 2.95Å; G256-D279 PolarHBondContact N-O 3.03Å; G256-R280 CarbonylContact C-O 3.37Å; G256-R280 WeakPolarHBondContact CA-O 3.31Å; G256-R280 PolarHBondContact N-O 3.03Å; G256-R280 VanDerWaalsContact N-O 3.12Å
257	N	98.9	Very high	97.5	Very high	9 Å²	9	36.4 Å²	36.4	5%	0.048	18%	0.182	C	C	.	.	S	Bend	trans	-114.4	-165.3	174.4	-82.3	-75.5	0	0	0	110	L230 N233 L234 L235 L254 G255 L259 R280 N281	L230-N257 PolarHBondContact O-ND2 3.27Å; N233-N257 WeakPolarHBondContact CA-OD1 3.47Å; N233-N257 WeakPolarHBondContact CB-OD1 3.2Å; N233-N257 PolarHBondContact O-OD1 2.99Å; L234-N257 PolarHBondContact N-OD1 2.91Å; L235-N257 HydrophobicContact CB-CB 4.16Å; L235-N257 WeakPolarHBondContact CB-OD1 3.14Å; L235-N257 PolarHBondContact N-OD1 2.99Å; L254-N257 PolarHBondContact O-ND2 3.18Å; G255-N257 PolarHBondContact O-ND2 3.06Å; N257-L259 HydrophobicContact CB-CG 4.24Å; N257-R280 PolarHBondContact N-O 3.13Å; N257-N281 VanDerWaalsContact CA-OD1 3.27Å; N257-N281 WeakPolarHBondContact CA-OD1 3.1Å; N257-N281 WeakPolarHBondContact CB-OD1 3.34Å; N257-N281 PolarHBondContact N-OD1 2.99Å; N257-N281 PolarHBondContact O-OD1 3.24Å
258	Q	98.6	Very high	97.4	Very high	75 Å²	75	35.1 Å²	35.1	35%	0.35	18%	0.177	S	C	.	.			trans	-117.4	27.8	-178.2	-58.3	173.4	28	0	0	111.1	L235 S236 N281	L235-Q258 CarbonylContact O-C 2.97Å; L235-Q258 VanDerWaalsContact O-CA 3.28Å; L235-Q258 WeakPolarHBondContact O-CA 3.2Å; L235-Q258 PolarHBondContact O-N 3.23Å; S236-Q258 WeakPolarHBondContact CA-O 3.27Å; Q258-N281 PolarHBondContact N-OD1 2.79Å
259	L	98.4	Very high	97.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.			trans	-68.6	135.4	-177.3	-59.4	174.1	0	0	0	110.2	L235 M238 L254 N257 W266 L278 N281 Q282 L283	L235-L259 HydrophobicContact CB-CD2 4.25Å; L235-L259 PolarHBondContact O-N 3.24Å; M238-L259 HydrophobicContact CG-CD2 4.48Å; L254-L259 HydrophobicContact CB-CD1 4.31Å; N257-L259 HydrophobicContact CB-CG 4.24Å; L259-W266 HydrophobicContact CD1-CH2 4.44Å; L259-W266 HydrophobicContact CD1-CZ3 4.27Å; L259-W266 HydrophobicContact CD2-CH2 4.09Å; L259-L278 HydrophobicContact CD1-CD2 4.4Å; L259-N281 HydrophobicContact CB-CB 4.32Å; L259-N281 WeakPolarHBondContact CB-OD1 3Å; L259-N281 WeakPolarHBondContact CG-OD1 3.14Å; L259-N281 PolarHBondContact N-OD1 2.9Å; L259-Q282 CarbonylContact O-C 3.51Å; L259-Q282 VanDerWaalsContact O-CA 3.31Å; L259-Q282 WeakPolarHBondContact O-CA 3.26Å; L259-Q282 PolarHBondContact O-N 3.27Å; L259-L283 HydrophobicContact CB-CD2 3.95Å; L259-L283 PolarHBondContact O-N 2.98Å
260	I	97.8	Very high	97	Very high	74 Å²	74	32.9 Å²	32.9	38%	0.379	17%	0.174	S	C	.	.			trans	-101.9	-36.1	-177.8	-57.9	174.6	0	0	0	111.8	L283 L284	I260-L283 CarbonylContact O-C 3.58Å; I260-L283 VanDerWaalsContact O-CA 3.23Å; I260-L283 WeakPolarHBondContact O-CA 3.36Å; I260-L284 HydrophobicContact CG2-CD1 3.73Å; I260-L284 HydrophobicContact CG2-CG 4.08Å; I260-L284 PolarHBondContact O-N 2.91Å
261	N	96.9	Very high	96.8	Very high	66 Å²	66	31.5 Å²	31.5	35%	0.353	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.8	-179.4	-59.8	-27.9	0	0	0	109.8	W266 N285	N261-W266 WeakPolarHBondContact O-CH2 3.5Å; N261-N285 WeakPolarHBondContact CA-O 3.38Å; N261-N285 WeakPolarHBondContact CB-OD1 3.42Å; N261-N285 VanDerWaalsContact OD1-CG 3.31Å; N261-N285 PolarHBondContact OD1-ND2 3.09Å; N261-N285 PolarHBondContact OD1-OD1 2.9Å
262	V	97.1	Very high	96.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.5	169.3	179.6	0	0	0	0	109	W266 F267 L278 L283 N285 I286 E287 A290 F291	V262-W266 HydrophobicContact CB-CZ3 4.49Å; V262-W266 HydrophobicContact CG1-CE3 4.21Å; V262-W266 HydrophobicContact CG1-CZ3 4.44Å; V262-F267 HydrophobicContact CG1-CD2 4.46Å; V262-F267 HydrophobicContact CG1-CE2 3.56Å; V262-F267 HydrophobicContact CG1-CZ 4.25Å; V262-L278 HydrophobicContact CG2-CD1 3.94Å; V262-L278 HydrophobicContact CG2-CD2 4.38Å; V262-L283 HydrophobicContact CG2-CD1 3.74Å; V262-L283 HydrophobicContact CG2-CD2 3.76Å; V262-L283 HydrophobicContact CG2-CG 4.4Å; V262-N285 PolarHBondContact N-O 3.31Å; V262-I286 HydrophobicContact CB-CB 4.33Å; V262-I286 HydrophobicContact CB-CG1 4.16Å; V262-I286 HydrophobicContact CB-CG2 4.03Å; V262-I286 HydrophobicContact CG1-CG2 4.25Å; V262-I286 HydrophobicContact CG2-CG1 4.08Å; V262-E287 WeakPolarHBondContact O-CB 3.37Å; V262-E287 WeakPolarHBondContact O-CG 3.24Å; V262-E287 PolarHBondContact O-N 3.01Å; V262-A290 HydrophobicContact CG1-CB 4.06Å; V262-F291 HydrophobicContact CG1-CE1 4.41Å
263	S	95.9	Very high	96.8	Very high	20 Å²	20	32.7 Å²	32.7	14%	0.14	18%	0.182	C	C	.	.			trans	-88.6	146.9	-178.2	-175.4	0	0	0	0	113	T265 W266 E287	S263-T265 PolarHBondContact O-N 3.39Å; S263-T265 VanDerWaalsContact O-N 3.15Å; S263-W266 PolarHBondContact O-N 3Å; S263-E287 VanDerWaalsContact CA-OE2 3.29Å; S263-E287 WeakPolarHBondContact CA-OE2 3.34Å; S263-E287 PolarHBondContact OG-OE2 2.95Å
264	K	95.1	Very high	96.8	Very high	128 Å²	128	35.4 Å²	35.4	56%	0.557	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-18	178.9	74	179.6	-178.8	179	0	115.4	E287	K264-E287 HydrophobicContact CB-CB 4.29Å; K264-E287 PolarHBondContact N-OE2 2.79Å
265	T	94.3	Very high	96.8	Very high	48 Å²	48	36.7 Å²	36.7	29%	0.294	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-11.8	-177	64.3	0	0	0	0	113.7	R240 S263	R240-T265 CarbonylContact O-C 3.49Å; R240-T265 VanDerWaalsContact O-CB 3.28Å; R240-T265 WeakPolarHBondContact O-CB 3.19Å; R240-T265 PolarHBondContact O-OG1 3.43Å; S263-T265 PolarHBondContact O-N 3.39Å; S263-T265 VanDerWaalsContact O-N 3.15Å
266	W	95.1	Very high	96.8	Very high	17 Å²	17	36.7 Å²	36.7	6%	0.064	20%	0.202	C	C	.	.	S	Bend	trans	-69.4	-37.2	-173.2	-70.3	-7	0	0	0	113.4	M238 F243 L259 N261 V262 S263	M238-W266 HydrophobicContact CB-CZ2 3.91Å; M238-W266 HydrophobicContact CE-CD2 3.58Å; M238-W266 HydrophobicContact CE-CE3 3.46Å; M238-W266 VanDerWaalsContact CE-CE3 3.46Å; M238-W266 HydrophobicContact CE-CG 4.28Å; M238-W266 HydrophobicContact CE-CH2 3.82Å; M238-W266 HydrophobicContact CE-CZ2 3.93Å; M238-W266 HydrophobicContact CE-CZ3 3.58Å; M238-W266 HydrophobicContact CG-CZ2 4.46Å; F243-W266 HydrophobicContact CD2-CB 4.35Å; F243-W266 WeakPolarHBondContact CD2-O 3.34Å; L259-W266 HydrophobicContact CD1-CH2 4.44Å; L259-W266 HydrophobicContact CD1-CZ3 4.27Å; L259-W266 HydrophobicContact CD2-CH2 4.09Å; N261-W266 WeakPolarHBondContact O-CH2 3.5Å; V262-W266 HydrophobicContact CB-CZ3 4.49Å; V262-W266 HydrophobicContact CG1-CE3 4.21Å; V262-W266 HydrophobicContact CG1-CZ3 4.44Å; S263-W266 PolarHBondContact O-N 3Å
267	F	95.5	Very high	96.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	21%	0.205	C	C	.	.	S	Bend	trans	-111.6	13.6	-168.5	-48.8	-49.3	0	0	0	114	F243 L252 L254 V262 D269 M270 L276 A290 F291 L294	F243-F267 HydrophobicContact CE2-CE1 4.39Å; L252-F267 HydrophobicContact CD2-CD1 4.31Å; L252-F267 HydrophobicContact CD2-CE1 3.83Å; L254-F267 HydrophobicContact CD1-CE1 4.41Å; V262-F267 HydrophobicContact CG1-CD2 4.46Å; V262-F267 HydrophobicContact CG1-CE2 3.56Å; V262-F267 HydrophobicContact CG1-CZ 4.25Å; F267-D269 VanDerWaalsContact C-N 3.26Å; F267-D269 PolarHBondContact O-N 3.38Å; F267-D269 VanDerWaalsContact O-N 3.13Å; F267-M270 HydrophobicContact CB-SD 4.26Å; F267-M270 HydrophobicContact CD1-CE 4Å; F267-M270 HydrophobicContact CD1-SD 3.71Å; F267-M270 HydrophobicContact CG-SD 4.43Å; F267-M270 PolarHBondContact O-N 2.81Å; F267-M270 VanDerWaalsContact O-N 3.12Å; F267-L276 HydrophobicContact CD2-CD2 4.5Å; F267-L276 HydrophobicContact CE1-CD1 4.36Å; F267-L276 HydrophobicContact CE2-CD2 4.01Å; F267-L276 HydrophobicContact CZ-CD1 4.29Å; F267-L276 HydrophobicContact CZ-CD2 4.07Å; F267-A290 WeakPolarHBondContact CD2-O 3.27Å; F267-F291 HydrophobicContact CD2-CD1 4.27Å; F267-F291 HydrophobicContact CD2-CE1 4.31Å; F267-F291 HydrophobicContact CE2-CD1 4.49Å; F267-F291 HydrophobicContact CE2-CE1 4.07Å; F267-L294 HydrophobicContact CB-CD1 4.39Å; F267-L294 HydrophobicContact CB-CD2 3.87Å; F267-L294 HydrophobicContact CB-CG 4.28Å; F267-L294 HydrophobicContact CD2-CD1 4.38Å
268	G	92.8	Very high	96.8	Very high	28 Å²	28	38.2 Å²	38.2	29%	0.289	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-30.6	-171.1	0	0	0	0	0	115.3	N293	G268-N293 WeakPolarHBondContact O-CB 3.42Å; G268-N293 PolarHBondContact O-ND2 2.81Å
269	D	93.3	Very high	96.8	Very high	78 Å²	78	35 Å²	35	42%	0.417	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-0.1	-177.6	-64.7	-22.9	0	0	0	113.5	G245 S247 F267 A271	G245-D269 PolarHBondContact N-OD2 3.12Å; S247-D269 WeakPolarHBondContact CA-O 3.44Å; F267-D269 VanDerWaalsContact C-N 3.26Å; F267-D269 PolarHBondContact O-N 3.38Å; F267-D269 VanDerWaalsContact O-N 3.13Å; D269-A271 PolarHBondContact O-N 3.43Å
270	M	95.8	Very high	96.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.			trans	-95.7	52.1	-164.7	-59.4	-174.4	-174.1	0	0	114.2	F243 L249 L252 F267 E272 L273 L294	F243-M270 HydrophobicContact CB-CE 3.13Å; F243-M270 HydrophobicContact CD1-CE 4.28Å; F243-M270 HydrophobicContact CD2-CE 3.59Å; F243-M270 HydrophobicContact CG-CE 3.43Å; F243-M270 VanDerWaalsContact CG-CE 3.43Å; L249-M270 HydrophobicContact CD2-CE 3.99Å; L249-M270 HydrophobicContact CD2-SD 3.97Å; L252-M270 HydrophobicContact CD2-CE 4.04Å; L252-M270 HydrophobicContact CD2-SD 4.15Å; F267-M270 HydrophobicContact CB-SD 4.26Å; F267-M270 HydrophobicContact CD1-CE 4Å; F267-M270 HydrophobicContact CD1-SD 3.71Å; F267-M270 HydrophobicContact CG-SD 4.43Å; F267-M270 PolarHBondContact O-N 2.81Å; F267-M270 VanDerWaalsContact O-N 3.12Å; M270-E272 VanDerWaalsContact C-N 3.25Å; M270-E272 PolarHBondContact O-N 3.31Å; M270-L273 HydrophobicContact CB-CB 4.09Å; M270-L273 WeakPolarHBondContact O-CB 3.46Å; M270-L273 PolarHBondContact O-N 2.72Å; M270-L273 HydrophobicContact SD-CD2 4.15Å; M270-L294 HydrophobicContact CB-CD2 3.88Å; M270-L294 WeakPolarHBondContact O-CD2 3.34Å
271	A	95.7	Very high	96.8	Very high	45 Å²	45	37.4 Å²	37.4	37%	0.372	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.5	-177.5	0	0	0	0	0	114.5	D269 N293 T295 S296	D269-A271 PolarHBondContact O-N 3.43Å; A271-N293 WeakPolarHBondContact CA-O 3.48Å; A271-T295 PolarHBondContact O-OG1 3.42Å; A271-S296 VanDerWaalsContact O-CB 3.26Å; A271-S296 WeakPolarHBondContact O-CB 3.44Å; A271-S296 PolarHBondContact O-N 2.81Å; A271-S296 PolarHBondContact O-OG 2.84Å
272	E	97.8	Very high	96.9	Very high	63 Å²	63	39.1 Å²	39.1	29%	0.294	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	3.1	177.9	-64.4	-173.5	-160.8	0	0	113.3	R248 L249 M270 E274	R248-E272 IonicContact CZ-OE1 3.6Å; R248-E272 IonicContact NE-OE1 2.83Å; R248-E272 IonicContact NH1-OE1 2.72Å; R248-E272 PolarHBondContact NH1-OE1 2.99Å; R248-E272 IonicContact NH1-OE2 2.65Å; L249-E272 CarbonylContact O-C 3.22Å; M270-E272 VanDerWaalsContact C-N 3.25Å; M270-E272 PolarHBondContact O-N 3.31Å; E272-E274 PolarHBondContact O-N 3.48Å
273	L	98.4	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.			trans	-70.2	122.3	-176.4	-166	74	0	0	0	110.9	L249 L252 M270 L276 L294 S296 L297	L249-L273 HydrophobicContact CB-CD1 4.41Å; L249-L273 HydrophobicContact CD2-CD1 4.16Å; L249-L273 HydrophobicContact CG-CD1 4.09Å; L249-L273 WeakPolarHBondContact O-CA 3.41Å; L249-L273 PolarHBondContact O-N 2.83Å; L249-L273 VanDerWaalsContact O-N 3.13Å; L252-L273 HydrophobicContact CB-CD1 3.9Å; M270-L273 HydrophobicContact CB-CB 4.09Å; M270-L273 WeakPolarHBondContact O-CB 3.46Å; M270-L273 PolarHBondContact O-N 2.72Å; M270-L273 HydrophobicContact SD-CD2 4.15Å; L273-L276 HydrophobicContact CD2-CB 4.07Å; L273-L276 HydrophobicContact CD2-CD1 4.36Å; L273-L276 HydrophobicContact CD2-CD2 4.43Å; L273-L294 HydrophobicContact CB-CD2 4.06Å; L273-L294 HydrophobicContact CD2-CD1 4.34Å; L273-L294 HydrophobicContact CD2-CD2 3.82Å; L273-S296 CarbonylContact O-C 3.53Å; L273-L297 HydrophobicContact CD2-CD1 4.17Å; L273-L297 HydrophobicContact CG-CD1 4.2Å; L273-L297 WeakPolarHBondContact O-CA 3.37Å; L273-L297 PolarHBondContact O-N 3.38Å; L273-L297 VanDerWaalsContact O-N 3.08Å
274	E	98.4	Very high	97.1	Very high	75 Å²	75	42.4 Å²	42.4	35%	0.35	21%	0.214	S	C	.	.			trans	-102.5	-35.1	-177.7	-64.7	173.6	-160.4	0	0	111.6	K250 E272 I298 T299	K250-E274 PolarHBondContact O-N 3.12Å; E272-E274 PolarHBondContact O-N 3.48Å; E274-I298 PolarHBondContact O-N 3.41Å; E274-T299 PolarHBondContact O-N 2.95Å
275	V	98.8	Very high	97.1	Very high	28 Å²	28	39.9 Å²	39.9	17%	0.17	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	123.1	-174.7	-171.1	0	0	0	0	111.2	K250 M251 L252 Y277 T299	K250-V275 PolarHBondContact O-N 2.95Å; M251-V275 WeakPolarHBondContact CA-O 3.21Å; M251-V275 HydrophobicContact CG-CB 4.27Å; L252-V275 PolarHBondContact N-O 3.31Å; V275-Y277 HydrophobicContact CB-CE2 4.43Å; V275-Y277 HydrophobicContact CG1-CD2 3.93Å; V275-Y277 HydrophobicContact CG1-CE2 3.22Å; V275-T299 WeakPolarHBondContact CA-O 3.44Å; V275-T299 HydrophobicContact CG1-CG2 4.15Å
276	L	98.8	Very high	97.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122	177.6	179.9	57.3	0	0	0	111	L252 F267 L273 L278 F291 L294 L297 T299 L300 H301	L252-L276 HydrophobicContact CB-CD1 4.08Å; L252-L276 HydrophobicContact CD2-CD1 4.06Å; L252-L276 HydrophobicContact CG-CD1 4.11Å; F267-L276 HydrophobicContact CD2-CD2 4.5Å; F267-L276 HydrophobicContact CE1-CD1 4.36Å; F267-L276 HydrophobicContact CE2-CD2 4.01Å; F267-L276 HydrophobicContact CZ-CD1 4.29Å; F267-L276 HydrophobicContact CZ-CD2 4.07Å; L273-L276 HydrophobicContact CD2-CB 4.07Å; L273-L276 HydrophobicContact CD2-CD1 4.36Å; L273-L276 HydrophobicContact CD2-CD2 4.43Å; L276-L278 HydrophobicContact CD1-CG 4.28Å; L276-L278 HydrophobicContact CD2-CD1 3.91Å; L276-L278 HydrophobicContact CD2-CG 4.44Å; L276-L278 HydrophobicContact CG-CD1 4.13Å; L276-L278 HydrophobicContact CG-CG 4.15Å; L276-F291 HydrophobicContact CD2-CE1 4.08Å; L276-L294 HydrophobicContact CD2-CD1 4.16Å; L276-L297 HydrophobicContact CB-CD1 3.89Å; L276-T299 PolarHBondContact N-O 3.36Å; L276-L300 HydrophobicContact CB-CD1 4.05Å; L276-L300 HydrophobicContact CD2-CD1 3.96Å; L276-L300 HydrophobicContact CG-CD1 4.01Å; L276-H301 PolarHBondContact O-N 2.91Å
277	Y	98.9	Very high	97.4	Very high	55 Å²	55	41.1 Å²	41.1	22%	0.216	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.9	171.9	-60.1	-97.2	0	0	0	111.1	M251 L252 N253 L254 G255 V275 H301	M251-Y277 HydrophobicContact CE-CD2 4.37Å; M251-Y277 HydrophobicContact CE-CE2 3.4Å; M251-Y277 VanDerWaalsContact CE-CE2 3.4Å; L252-Y277 PolarHBondContact O-N 3.1Å; N253-Y277 HydrophobicContact CB-CD2 4.02Å; N253-Y277 HydrophobicContact CB-CG 4.43Å; N253-Y277 WeakPolarHBondContact OD1-CB 3.5Å; L254-Y277 CarbonylContact C-O 3.55Å; L254-Y277 WeakPolarHBondContact CA-O 3.31Å; L254-Y277 WeakPolarHBondContact CB-O 3.33Å; L254-Y277 PolarHBondContact N-O 2.95Å; G255-Y277 PolarHBondContact N-O 2.61Å; V275-Y277 HydrophobicContact CB-CE2 4.43Å; V275-Y277 HydrophobicContact CG1-CD2 3.93Å; V275-Y277 HydrophobicContact CG1-CE2 3.22Å; Y277-H301 HydrophobicContact CD1-CB 3.88Å; Y277-H301 AromaticContact CD1-CD2 3.36Å; Y277-H301 WeakPolarHBondContact CD1-CD2 3.24Å; Y277-H301 AromaticContact CD1-CG 3.54Å; Y277-H301 AromaticContact CD1-NE2 3.89Å; Y277-H301 AromaticContact CE1-CD2 3.21Å; Y277-H301 WeakPolarHBondContact CE1-CD2 3.44Å; Y277-H301 AromaticContact CE1-CE1 3.73Å; Y277-H301 AromaticContact CE1-CG 3.73Å; Y277-H301 AromaticContact CE1-NE2 3.23Å; Y277-H301 WeakPolarHBondContact CE1-NE2 3.42Å; Y277-H301 HydrophobicContact CG-CB 4.5Å; Y277-H301 AromaticContact CZ-CD2 3.88Å; Y277-H301 AromaticContact CZ-NE2 3.81Å
278	L	98.8	Very high	97.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.			trans	-127.1	11.2	173	-73	166.9	0	0	0	110.9	L254 L259 V262 L276 N281 L283 L300 H301 L302 N305	L254-L278 HydrophobicContact CB-CD2 4.12Å; L254-L278 HydrophobicContact CD1-CD2 4.03Å; L259-L278 HydrophobicContact CD1-CD2 4.4Å; V262-L278 HydrophobicContact CG2-CD1 3.94Å; V262-L278 HydrophobicContact CG2-CD2 4.38Å; L276-L278 HydrophobicContact CD1-CG 4.28Å; L276-L278 HydrophobicContact CD2-CD1 3.91Å; L276-L278 HydrophobicContact CD2-CG 4.44Å; L276-L278 HydrophobicContact CG-CD1 4.13Å; L276-L278 HydrophobicContact CG-CG 4.15Å; L278-N281 PolarHBondContact O-ND2 3.31Å; L278-N281 VanDerWaalsContact O-ND2 3.13Å; L278-L283 HydrophobicContact CB-CD1 4.06Å; L278-L300 HydrophobicContact CD1-CD1 4.48Å; L278-H301 CarbonylContact C-O 3.5Å; L278-H301 WeakPolarHBondContact CA-O 3.24Å; L278-H301 WeakPolarHBondContact CB-O 3.5Å; L278-H301 PolarHBondContact N-O 3Å; L278-L302 HydrophobicContact CB-CD2 3.92Å; L278-L302 HydrophobicContact CD1-CD2 3.96Å; L278-N305 PolarHBondContact O-ND2 2.02Å
279	D	98.8	Very high	97.5	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.043	23%	0.234	C	C	.	.			trans	-69.1	161.2	-178.5	64.5	-68.7	0	0	0	113	G255 G256 N281 H301 N303	G255-D279 CarbonylContact C-O 3.27Å; G255-D279 WeakPolarHBondContact CA-O 3.1Å; G256-D279 PolarHBondContact N-O 3.03Å; D279-N281 VanDerWaalsContact C-N 3.27Å; D279-N281 PolarHBondContact O-N 3.03Å; D279-N281 PolarHBondContact O-ND2 2.86Å; D279-H301 HydrophobicContact CB-CB 4.1Å; D279-H301 PolarHBondContact N-O 3.15Å; D279-N303 WeakPolarHBondContact CA-O 3.36Å; D279-N303 WeakPolarHBondContact CB-ND2 3.24Å; D279-N303 WeakPolarHBondContact CB-O 3.3Å
280	R	98.8	Very high	97.7	Very high	113 Å²	113	43.3 Å²	43.3	43%	0.426	22%	0.216	S	C	.	.	S	Bend	trans	53.8	44.9	-179.3	-52.1	-171.6	-53.4	-88.2	11.6	112.2	D232 G256 N257 N303 S304	D232-R280 IonicContact OD1-CZ 3.34Å; D232-R280 IonicContact OD1-NE 3.64Å; D232-R280 IonicContact OD1-NH2 2.68Å; D232-R280 PolarHBondContact OD1-NH2 3.2Å; D232-R280 IonicContact OD2-NH2 3.32Å; D232-R280 PolarHBondContact OD2-NH2 2.92Å; G256-R280 CarbonylContact C-O 3.37Å; G256-R280 WeakPolarHBondContact CA-O 3.31Å; G256-R280 PolarHBondContact N-O 3.03Å; G256-R280 VanDerWaalsContact N-O 3.12Å; N257-R280 PolarHBondContact N-O 3.13Å; R280-N303 PolarHBondContact N-O 3.36Å; R280-N303 VanDerWaalsContact N-O 3.1Å; R280-S304 WeakPolarHBondContact CA-O 3.48Å; R280-S304 PolarHBondContact N-O 2.97Å; R280-S304 VanDerWaalsContact N-O 3.14Å
281	N	98.8	Very high	97.7	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.064	22%	0.216	C	C	.	.	S	Bend	trans	-115.6	-164	170.7	-85.5	-80	0	0	0	109.2	L254 N257 Q258 L259 L278 D279 L283 S304 N305	L254-N281 PolarHBondContact O-ND2 3.03Å; N257-N281 VanDerWaalsContact CA-OD1 3.27Å; N257-N281 WeakPolarHBondContact CA-OD1 3.1Å; N257-N281 WeakPolarHBondContact CB-OD1 3.34Å; N257-N281 PolarHBondContact N-OD1 2.99Å; N257-N281 PolarHBondContact O-OD1 3.24Å; Q258-N281 PolarHBondContact N-OD1 2.79Å; L259-N281 HydrophobicContact CB-CB 4.32Å; L259-N281 WeakPolarHBondContact CB-OD1 3Å; L259-N281 WeakPolarHBondContact CG-OD1 3.14Å; L259-N281 PolarHBondContact N-OD1 2.9Å; L278-N281 PolarHBondContact O-ND2 3.31Å; L278-N281 VanDerWaalsContact O-ND2 3.13Å; D279-N281 VanDerWaalsContact C-N 3.27Å; D279-N281 PolarHBondContact O-N 3.03Å; D279-N281 PolarHBondContact O-ND2 2.86Å; N281-L283 HydrophobicContact CB-CG 4.05Å; N281-S304 PolarHBondContact N-O 3.05Å; N281-N305 WeakPolarHBondContact CA-OD1 3.13Å; N281-N305 WeakPolarHBondContact CB-OD1 3.32Å; N281-N305 PolarHBondContact N-OD1 3.24Å; N281-N305 PolarHBondContact O-OD1 3.07Å
282	Q	98.4	Very high	97.7	Very high	102 Å²	102	47.5 Å²	47.5	48%	0.477	23%	0.228	S	C	.	.			trans	-118.1	33.6	177.7	-59.6	176.5	14.5	0	0	110.6	L259 L284 N305	L259-Q282 CarbonylContact O-C 3.51Å; L259-Q282 VanDerWaalsContact O-CA 3.31Å; L259-Q282 WeakPolarHBondContact O-CA 3.26Å; L259-Q282 PolarHBondContact O-N 3.27Å; Q282-L284 PolarHBondContact O-N 3.04Å; Q282-N305 PolarHBondContact N-OD1 3.02Å
283	L	98.6	Very high	97.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.234	C	C	.	.			trans	-64	124.6	-170.7	-63.4	177.8	0	0	0	111.2	L259 I260 V262 L278 N281 L302 N305 N306 L307	L259-L283 HydrophobicContact CB-CD2 3.95Å; L259-L283 PolarHBondContact O-N 2.98Å; I260-L283 CarbonylContact O-C 3.58Å; I260-L283 VanDerWaalsContact O-CA 3.23Å; I260-L283 WeakPolarHBondContact O-CA 3.36Å; V262-L283 HydrophobicContact CG2-CD1 3.74Å; V262-L283 HydrophobicContact CG2-CD2 3.76Å; V262-L283 HydrophobicContact CG2-CG 4.4Å; L278-L283 HydrophobicContact CB-CD1 4.06Å; N281-L283 HydrophobicContact CB-CG 4.05Å; L283-L302 HydrophobicContact CD1-CD2 4.03Å; L283-N305 HydrophobicContact CB-CB 4.06Å; L283-N305 WeakPolarHBondContact CB-OD1 3.31Å; L283-N305 VanDerWaalsContact CG-OD1 3.29Å; L283-N305 WeakPolarHBondContact CG-OD1 3.44Å; L283-N305 PolarHBondContact N-OD1 2.84Å; L283-N306 CarbonylContact O-C 3.44Å; L283-N306 VanDerWaalsContact O-CA 3.26Å; L283-N306 WeakPolarHBondContact O-CA 3.2Å; L283-N306 PolarHBondContact O-N 2.82Å; L283-L307 HydrophobicContact CB-CD2 4.11Å; L283-L307 HydrophobicContact CB-CG 4.32Å; L283-L307 PolarHBondContact O-N 3.14Å; L283-L307 VanDerWaalsContact O-N 3.08Å
284	L	98	Very high	97.5	Very high	88 Å²	88	48.4 Å²	48.4	46%	0.461	24%	0.235	S	C	.	.			trans	-98.7	-36.7	173.5	-65.9	175.1	0	0	0	111.7	I260 Q282 N306	I260-L284 HydrophobicContact CG2-CD1 3.73Å; I260-L284 HydrophobicContact CG2-CG 4.08Å; I260-L284 PolarHBondContact O-N 2.91Å; Q282-L284 PolarHBondContact O-N 3.04Å; L284-N306 HydrophobicContact CD2-CB 3.98Å; L284-N306 WeakPolarHBondContact CD2-ND2 3.36Å
285	N	95.9	Very high	97.3	Very high	75 Å²	75	50.1 Å²	50.1	40%	0.401	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	164.2	178.5	65.5	46.2	0	0	0	112.4	N261 V262	N261-N285 WeakPolarHBondContact CA-O 3.38Å; N261-N285 WeakPolarHBondContact CB-OD1 3.42Å; N261-N285 VanDerWaalsContact OD1-CG 3.31Å; N261-N285 PolarHBondContact OD1-ND2 3.09Å; N261-N285 PolarHBondContact OD1-OD1 2.9Å; V262-N285 PolarHBondContact N-O 3.31Å
286	I	97.7	Very high	97.2	Very high	16 Å²	16	51.3 Å²	51.3	8%	0.082	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124	172	-59.9	170.5	0	0	0	105.8	V262 A290 F291 L302 L307 L310 V314	V262-I286 HydrophobicContact CB-CB 4.33Å; V262-I286 HydrophobicContact CB-CG1 4.16Å; V262-I286 HydrophobicContact CB-CG2 4.03Å; V262-I286 HydrophobicContact CG1-CG2 4.25Å; V262-I286 HydrophobicContact CG2-CG1 4.08Å; I286-A290 HydrophobicContact CG2-CB 3.87Å; I286-F291 HydrophobicContact CD1-CE2 4.08Å; I286-F291 HydrophobicContact CD1-CZ 4.07Å; I286-F291 HydrophobicContact CG2-CE2 3.79Å; I286-F291 HydrophobicContact CG2-CZ 3.82Å; I286-L302 HydrophobicContact CD1-CD1 3.8Å; I286-L302 HydrophobicContact CD1-CD2 3.83Å; I286-L307 HydrophobicContact CD1-CD1 4.35Å; I286-L307 HydrophobicContact CG1-CD2 4.41Å; I286-L310 HydrophobicContact CD1-CD1 4.18Å; I286-V314 HydrophobicContact CB-CG1 3.97Å; I286-V314 HydrophobicContact CG2-CG1 3.47Å; I286-V314 VanDerWaalsContact CG2-CG1 3.47Å
287	E	96.5	Very high	97.1	Very high	75 Å²	75	51.9 Å²	51.9	35%	0.35	26%	0.262	S	S	.	.			trans	-62.7	141	179.3	-72.2	-179.8	-177.6	0	0	111.1	V262 S263 K264 G289 A290	V262-E287 WeakPolarHBondContact O-CB 3.37Å; V262-E287 WeakPolarHBondContact O-CG 3.24Å; V262-E287 PolarHBondContact O-N 3.01Å; S263-E287 VanDerWaalsContact CA-OE2 3.29Å; S263-E287 WeakPolarHBondContact CA-OE2 3.34Å; S263-E287 PolarHBondContact OG-OE2 2.95Å; K264-E287 HydrophobicContact CB-CB 4.29Å; K264-E287 PolarHBondContact N-OE2 2.79Å; E287-G289 PolarHBondContact O-N 2.8Å; E287-A290 WeakPolarHBondContact O-CB 3.36Å; E287-A290 PolarHBondContact O-N 2.92Å
288	E	96	Very high	97	Very high	136 Å²	136	53.2 Å²	53.2	64%	0.636	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	134.5	172.8	-172.7	175.6	-176.5	0	0	110.7	A290 S313	E288-A290 VanDerWaalsContact C-N 3.33Å; E288-S313 WeakPolarHBondContact OE1-CB 3.39Å
289	G	95.5	Very high	96.9	Very high	16 Å²	16	54.1 Å²	54.1	17%	0.165	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	0.5	-174.3	0	0	0	0	0	114.8	E287 F291 E292	E287-G289 PolarHBondContact O-N 2.8Å; G289-F291 PolarHBondContact O-N 2.96Å; G289-F291 VanDerWaalsContact O-N 3.14Å; G289-E292 VanDerWaalsContact O-CB 3.26Å; G289-E292 WeakPolarHBondContact O-CB 2.97Å; G289-E292 PolarHBondContact O-N 2.91Å; G289-E292 VanDerWaalsContact O-N 3.1Å
290	A	96.8	Very high	96.8	Very high	3 Å²	3	53.8 Å²	53.8	3%	0.025	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.4	-179.9	0	0	0	0	0	115.1	V262 F267 I286 E287 E288	V262-A290 HydrophobicContact CG1-CB 4.06Å; F267-A290 WeakPolarHBondContact CD2-O 3.27Å; I286-A290 HydrophobicContact CG2-CB 3.87Å; E287-A290 WeakPolarHBondContact O-CB 3.36Å; E287-A290 PolarHBondContact O-N 2.92Å; E288-A290 VanDerWaalsContact C-N 3.33Å
291	F	97.1	Very high	96.8	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.009	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	10.5	178.3	-52.2	-43.3	0	0	0	113.4	V262 F267 L276 I286 G289 N293 L294 L300 V314 P317 I318	V262-F291 HydrophobicContact CG1-CE1 4.41Å; F267-F291 HydrophobicContact CD2-CD1 4.27Å; F267-F291 HydrophobicContact CD2-CE1 4.31Å; F267-F291 HydrophobicContact CE2-CD1 4.49Å; F267-F291 HydrophobicContact CE2-CE1 4.07Å; L276-F291 HydrophobicContact CD2-CE1 4.08Å; I286-F291 HydrophobicContact CD1-CE2 4.08Å; I286-F291 HydrophobicContact CD1-CZ 4.07Å; I286-F291 HydrophobicContact CG2-CE2 3.79Å; I286-F291 HydrophobicContact CG2-CZ 3.82Å; G289-F291 PolarHBondContact O-N 2.96Å; G289-F291 VanDerWaalsContact O-N 3.14Å; F291-N293 VanDerWaalsContact C-N 3.28Å; F291-N293 PolarHBondContact O-N 3.04Å; F291-L294 HydrophobicContact CB-CD1 4.17Å; F291-L294 HydrophobicContact CD1-CD1 3.6Å; F291-L294 HydrophobicContact CE1-CD1 4.45Å; F291-L294 HydrophobicContact CG-CD1 4.27Å; F291-L294 PolarHBondContact O-N 3.03Å; F291-L294 VanDerWaalsContact O-N 3.14Å; F291-L300 HydrophobicContact CE2-CD2 4.12Å; F291-L300 HydrophobicContact CZ-CD2 4.23Å; F291-V314 HydrophobicContact CD2-CG1 3.85Å; F291-V314 HydrophobicContact CE2-CG1 3.82Å; F291-P317 WeakPolarHBondContact O-CB 3.5Å; F291-I318 HydrophobicContact CB-CD1 3.99Å; F291-I318 HydrophobicContact CB-CG1 4.35Å; F291-I318 HydrophobicContact CB-CG2 3.84Å; F291-I318 HydrophobicContact CD2-CD1 3.46Å; F291-I318 VanDerWaalsContact CD2-CD1 3.46Å; F291-I318 HydrophobicContact CD2-CG1 4.39Å; F291-I318 HydrophobicContact CE2-CD1 4.09Å; F291-I318 HydrophobicContact CG-CD1 3.86Å
292	E	95.3	Very high	96.8	Very high	131 Å²	131	49 Å²	49	61%	0.612	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-38.5	-171.8	-170.3	171.8	-172.4	0	0	113.4	G289	G289-E292 VanDerWaalsContact O-CB 3.26Å; G289-E292 WeakPolarHBondContact O-CB 2.97Å; G289-E292 PolarHBondContact O-N 2.91Å; G289-E292 VanDerWaalsContact O-N 3.1Å
293	N	94.9	Very high	96.7	Very high	79 Å²	79	44.6 Å²	44.6	42%	0.422	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	1.9	-176.6	-67.6	-11.1	0	0	0	114.1	G268 A271 F291 T295	G268-N293 WeakPolarHBondContact O-CB 3.42Å; G268-N293 PolarHBondContact O-ND2 2.81Å; A271-N293 WeakPolarHBondContact CA-O 3.48Å; F291-N293 VanDerWaalsContact C-N 3.28Å; F291-N293 PolarHBondContact O-N 3.04Å; N293-T295 PolarHBondContact O-N 3.06Å
294	L	96.6	Very high	96.7	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	25%	0.249	C	C	.	.			trans	-84.3	56.7	-176.3	-63	-172.9	0	0	0	112.3	F267 M270 L273 L276 F291 S296 L297 I318	F267-L294 HydrophobicContact CB-CD1 4.39Å; F267-L294 HydrophobicContact CB-CD2 3.87Å; F267-L294 HydrophobicContact CB-CG 4.28Å; F267-L294 HydrophobicContact CD2-CD1 4.38Å; M270-L294 HydrophobicContact CB-CD2 3.88Å; M270-L294 WeakPolarHBondContact O-CD2 3.34Å; L273-L294 HydrophobicContact CB-CD2 4.06Å; L273-L294 HydrophobicContact CD2-CD1 4.34Å; L273-L294 HydrophobicContact CD2-CD2 3.82Å; L276-L294 HydrophobicContact CD2-CD1 4.16Å; F291-L294 HydrophobicContact CB-CD1 4.17Å; F291-L294 HydrophobicContact CD1-CD1 3.6Å; F291-L294 HydrophobicContact CE1-CD1 4.45Å; F291-L294 HydrophobicContact CG-CD1 4.27Å; F291-L294 PolarHBondContact O-N 3.03Å; F291-L294 VanDerWaalsContact O-N 3.14Å; L294-S296 VanDerWaalsContact C-N 3.28Å; L294-S296 PolarHBondContact O-N 2.98Å; L294-L297 HydrophobicContact CB-CB 4.1Å; L294-L297 HydrophobicContact CB-CD2 4.41Å; L294-L297 HydrophobicContact CD1-CD2 4.02Å; L294-L297 WeakPolarHBondContact O-CB 3.29Å; L294-L297 PolarHBondContact O-N 3.38Å; L294-I318 HydrophobicContact CB-CG2 4.16Å
295	T	94.4	Very high	96.7	Very high	111 Å²	111	42.5 Å²	42.5	68%	0.681	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.7	-170	56.4	0	0	0	0	115	A271 N293	A271-T295 PolarHBondContact O-OG1 3.42Å; N293-T295 PolarHBondContact O-N 3.06Å
296	S	96.5	Very high	96.8	Very high	52 Å²	52	42.8 Å²	42.8	36%	0.364	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	5.3	178.2	-53.1	0	0	0	0	113.7	A271 L273 L294 I298	A271-S296 VanDerWaalsContact O-CB 3.26Å; A271-S296 WeakPolarHBondContact O-CB 3.44Å; A271-S296 PolarHBondContact O-N 2.81Å; A271-S296 PolarHBondContact O-OG 2.84Å; L273-S296 CarbonylContact O-C 3.53Å; L294-S296 VanDerWaalsContact C-N 3.28Å; L294-S296 PolarHBondContact O-N 2.98Å; S296-I298 PolarHBondContact O-N 3.12Å
297	L	97.6	Very high	96.9	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.063	23%	0.228	C	C	.	.			trans	-69.1	124.7	-171.7	-163.8	73.5	0	0	0	111.2	L273 L276 L294 L300 I318 L321	L273-L297 HydrophobicContact CD2-CD1 4.17Å; L273-L297 HydrophobicContact CG-CD1 4.2Å; L273-L297 WeakPolarHBondContact O-CA 3.37Å; L273-L297 PolarHBondContact O-N 3.38Å; L273-L297 VanDerWaalsContact O-N 3.08Å; L276-L297 HydrophobicContact CB-CD1 3.89Å; L294-L297 HydrophobicContact CB-CB 4.1Å; L294-L297 HydrophobicContact CB-CD2 4.41Å; L294-L297 HydrophobicContact CD1-CD2 4.02Å; L294-L297 WeakPolarHBondContact O-CB 3.29Å; L294-L297 PolarHBondContact O-N 3.38Å; L297-L300 HydrophobicContact CD2-CB 4.27Å; L297-I318 HydrophobicContact CB-CG2 4.34Å; L297-I318 HydrophobicContact CD2-CB 4.49Å; L297-I318 HydrophobicContact CD2-CD1 4.24Å; L297-I318 HydrophobicContact CD2-CG2 3.99Å; L297-L321 HydrophobicContact CB-CD2 4.33Å; L297-L321 HydrophobicContact CD2-CD2 4.01Å; L297-L321 HydrophobicContact CG-CD2 3.87Å
298	I	95.6	Very high	96.9	Very high	83 Å²	83	41.2 Å²	41.2	43%	0.426	23%	0.228	S	C	.	.			trans	-110.7	-34.5	-179.3	-63.1	163.8	0	0	0	110.7	E274 S296 L321 G322 H323	E274-I298 PolarHBondContact O-N 3.41Å; S296-I298 PolarHBondContact O-N 3.12Å; I298-L321 VanDerWaalsContact O-CD2 3.31Å; I298-L321 WeakPolarHBondContact O-CD2 3.38Å; I298-G322 WeakPolarHBondContact O-CA 3.48Å; I298-G322 PolarHBondContact O-N 3.07Å; I298-H323 PolarHBondContact O-N 2.9Å
299	T	96.8	Very high	96.9	Very high	19 Å²	19	37.3 Å²	37.3	12%	0.117	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.7	-174.3	-58.1	0	0	0	0	111.5	E274 V275 L276 H301 H323 Y325	E274-T299 PolarHBondContact O-N 2.95Å; V275-T299 WeakPolarHBondContact CA-O 3.44Å; V275-T299 HydrophobicContact CG1-CG2 4.15Å; L276-T299 PolarHBondContact N-O 3.36Å; T299-H301 WeakPolarHBondContact CG2-NE2 3.19Å; T299-H323 WeakPolarHBondContact CA-O 3.32Å; T299-H323 HydrophobicContact CG2-CB 4.05Å; T299-Y325 HydrophobicContact CG2-CE2 4.11Å
300	L	97.6	Very high	96.9	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.7	176.9	178.5	58.8	0	0	0	111.1	L276 L278 F291 L297 L302 I318 L321 H323 L324 Y325	L276-L300 HydrophobicContact CB-CD1 4.05Å; L276-L300 HydrophobicContact CD2-CD1 3.96Å; L276-L300 HydrophobicContact CG-CD1 4.01Å; L278-L300 HydrophobicContact CD1-CD1 4.48Å; F291-L300 HydrophobicContact CE2-CD2 4.12Å; F291-L300 HydrophobicContact CZ-CD2 4.23Å; L297-L300 HydrophobicContact CD2-CB 4.27Å; L300-L302 HydrophobicContact CD1-CG 4.23Å; L300-L302 HydrophobicContact CD2-CD1 3.86Å; L300-L302 HydrophobicContact CD2-CG 4.27Å; L300-L302 HydrophobicContact CG-CD1 4.18Å; L300-L302 HydrophobicContact CG-CG 4.05Å; L300-I318 HydrophobicContact CD2-CD1 3.62Å; L300-L321 HydrophobicContact CB-CD1 3.91Å; L300-L321 HydrophobicContact CB-CD2 4.2Å; L300-L321 HydrophobicContact CD2-CD1 4.23Å; L300-H323 PolarHBondContact N-O 3.31Å; L300-L324 HydrophobicContact CB-CD1 4.05Å; L300-L324 HydrophobicContact CD2-CD1 3.99Å; L300-L324 HydrophobicContact CG-CD1 4.08Å; L300-L324 WeakPolarHBondContact O-CA 3.3Å; L300-Y325 PolarHBondContact O-N 3.32Å
301	H	98	Very high	96.7	Very high	24 Å²	24	39.1 Å²	39.1	11%	0.111	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.3	173.3	-65.9	-103.3	0	0	0	111.2	L276 Y277 L278 D279 T299 Y325	L276-H301 PolarHBondContact O-N 2.91Å; Y277-H301 HydrophobicContact CD1-CB 3.88Å; Y277-H301 AromaticContact CD1-CD2 3.36Å; Y277-H301 WeakPolarHBondContact CD1-CD2 3.24Å; Y277-H301 AromaticContact CD1-CG 3.54Å; Y277-H301 AromaticContact CD1-NE2 3.89Å; Y277-H301 AromaticContact CE1-CD2 3.21Å; Y277-H301 WeakPolarHBondContact CE1-CD2 3.44Å; Y277-H301 AromaticContact CE1-CE1 3.73Å; Y277-H301 AromaticContact CE1-CG 3.73Å; Y277-H301 AromaticContact CE1-NE2 3.23Å; Y277-H301 WeakPolarHBondContact CE1-NE2 3.42Å; Y277-H301 HydrophobicContact CG-CB 4.5Å; Y277-H301 AromaticContact CZ-CD2 3.88Å; Y277-H301 AromaticContact CZ-NE2 3.81Å; L278-H301 CarbonylContact C-O 3.5Å; L278-H301 WeakPolarHBondContact CA-O 3.24Å; L278-H301 WeakPolarHBondContact CB-O 3.5Å; L278-H301 PolarHBondContact N-O 3Å; D279-H301 HydrophobicContact CB-CB 4.1Å; D279-H301 PolarHBondContact N-O 3.15Å; T299-H301 WeakPolarHBondContact CG2-NE2 3.19Å; H301-Y325 AromaticContact CD2-CD2 3.94Å; H301-Y325 AromaticContact CE1-CD2 3.19Å; H301-Y325 WeakPolarHBondContact CE1-CD2 2.89Å; H301-Y325 AromaticContact CE1-CE2 3.2Å; H301-Y325 WeakPolarHBondContact CE1-CE2 3.2Å; H301-Y325 AromaticContact CE1-CG 3.81Å; H301-Y325 AromaticContact CE1-CZ 3.82Å; H301-Y325 AromaticContact CG-CD2 3.74Å; H301-Y325 AromaticContact ND1-CD2 3.27Å; H301-Y325 VanDerWaalsContact ND1-CD2 3.27Å; H301-Y325 WeakPolarHBondContact ND1-CD2 3.43Å; H301-Y325 AromaticContact ND1-CE2 3.81Å; H301-Y325 AromaticContact ND1-CG 3.6Å; H301-Y325 AromaticContact NE2-CD2 3.61Å; H301-Y325 AromaticContact NE2-CE2 3.47Å; H301-Y325 WeakPolarHBondContact NE2-CE2 3.03Å
302	L	97.9	Very high	96.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.241	C	C	.	.			trans	-122.9	4.8	174.6	-72.7	170.3	0	0	0	112.2	L278 L283 I286 L300 N305 L307 Y325 L326 N329	L278-L302 HydrophobicContact CB-CD2 3.92Å; L278-L302 HydrophobicContact CD1-CD2 3.96Å; L283-L302 HydrophobicContact CD1-CD2 4.03Å; I286-L302 HydrophobicContact CD1-CD1 3.8Å; I286-L302 HydrophobicContact CD1-CD2 3.83Å; L300-L302 HydrophobicContact CD1-CG 4.23Å; L300-L302 HydrophobicContact CD2-CD1 3.86Å; L300-L302 HydrophobicContact CD2-CG 4.27Å; L300-L302 HydrophobicContact CG-CD1 4.18Å; L300-L302 HydrophobicContact CG-CG 4.05Å; L302-N305 PolarHBondContact O-ND2 2.82Å; L302-L307 HydrophobicContact CB-CD1 4.28Å; L302-L307 HydrophobicContact CD1-CD1 4.45Å; L302-L307 HydrophobicContact CD2-CD1 4.4Å; L302-Y325 CarbonylContact C-O 3.55Å; L302-Y325 WeakPolarHBondContact CA-O 3.02Å; L302-Y325 PolarHBondContact N-O 3.32Å; L302-L326 HydrophobicContact CB-CD2 3.97Å; L302-L326 HydrophobicContact CD1-CD2 4.06Å; L302-N329 PolarHBondContact O-ND2 3.01Å
303	N	97.6	Very high	96.4	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.053	23%	0.227	C	C	.	.			trans	-63.7	156.2	-178	58.6	-86.6	0	0	0	112.7	D279 R280 Y325 F327	D279-N303 WeakPolarHBondContact CA-O 3.36Å; D279-N303 WeakPolarHBondContact CB-ND2 3.24Å; D279-N303 WeakPolarHBondContact CB-O 3.3Å; R280-N303 PolarHBondContact N-O 3.36Å; R280-N303 VanDerWaalsContact N-O 3.1Å; N303-Y325 PolarHBondContact N-O 2.79Å; N303-Y325 WeakPolarHBondContact OD1-CB 3.41Å; N303-F327 CarbonylContact C-O 3.48Å; N303-F327 WeakPolarHBondContact CA-O 3.29Å; N303-F327 HydrophobicContact CB-CD1 3.61Å; N303-F327 HydrophobicContact CB-CD2 3.88Å; N303-F327 HydrophobicContact CB-CE1 3.47Å; N303-F327 VanDerWaalsContact CB-CE1 3.47Å; N303-F327 HydrophobicContact CB-CE2 3.75Å; N303-F327 HydrophobicContact CB-CG 3.82Å; N303-F327 HydrophobicContact CB-CZ 3.55Å; N303-F327 WeakPolarHBondContact CB-O 3.34Å; N303-F327 VanDerWaalsContact ND2-CZ 3.25Å; N303-F327 WeakPolarHBondContact ND2-CZ 3.5Å
304	S	98	Very high	96.4	Very high	32 Å²	32	35.1 Å²	35.1	22%	0.224	21%	0.208	C	C	.	.	S	Bend	trans	57.8	53.6	179.6	-49.8	0	0	0	0	112.2	R280 N281 F327 K328	R280-S304 WeakPolarHBondContact CA-O 3.48Å; R280-S304 PolarHBondContact N-O 2.97Å; R280-S304 VanDerWaalsContact N-O 3.14Å; N281-S304 PolarHBondContact N-O 3.05Å; S304-F327 PolarHBondContact N-O 3.5Å; S304-K328 WeakPolarHBondContact CA-O 3.4Å; S304-K328 PolarHBondContact N-O 3.09Å; S304-K328 VanDerWaalsContact N-O 3.1Å; S304-K328 WeakPolarHBondContact OG-CD 3.49Å
305	N	98.8	Very high	96.2	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.07	21%	0.208	C	C	.	.	S	Bend	trans	-128.7	-168.2	174.3	-86.6	-67.5	0	0	0	109.2	L278 N281 Q282 L283 L302 L307 K328 N329	L278-N305 PolarHBondContact O-ND2 2.02Å; N281-N305 WeakPolarHBondContact CA-OD1 3.13Å; N281-N305 WeakPolarHBondContact CB-OD1 3.32Å; N281-N305 PolarHBondContact N-OD1 3.24Å; N281-N305 PolarHBondContact O-OD1 3.07Å; Q282-N305 PolarHBondContact N-OD1 3.02Å; L283-N305 HydrophobicContact CB-CB 4.06Å; L283-N305 WeakPolarHBondContact CB-OD1 3.31Å; L283-N305 VanDerWaalsContact CG-OD1 3.29Å; L283-N305 WeakPolarHBondContact CG-OD1 3.44Å; L283-N305 PolarHBondContact N-OD1 2.84Å; L302-N305 PolarHBondContact O-ND2 2.82Å; N305-L307 HydrophobicContact CB-CG 4.33Å; N305-K328 PolarHBondContact N-O 2.81Å; N305-N329 VanDerWaalsContact CA-OD1 3.24Å; N305-N329 WeakPolarHBondContact CA-OD1 3.35Å; N305-N329 WeakPolarHBondContact CB-OD1 3.43Å; N305-N329 PolarHBondContact N-OD1 3.07Å; N305-N329 PolarHBondContact O-OD1 3.17Å; N305-N329 VanDerWaalsContact O-OD1 3.11Å
306	N	98.4	Very high	96.1	Very high	81 Å²	81	36 Å²	36	43%	0.433	21%	0.205	S	C	.	.			trans	-116.7	32.1	178.3	-155.5	54.3	0	0	0	112.2	L283 L284 N329	L283-N306 CarbonylContact O-C 3.44Å; L283-N306 VanDerWaalsContact O-CA 3.26Å; L283-N306 WeakPolarHBondContact O-CA 3.2Å; L283-N306 PolarHBondContact O-N 2.82Å; L284-N306 HydrophobicContact CD2-CB 3.98Å; L284-N306 WeakPolarHBondContact CD2-ND2 3.36Å; N306-N329 PolarHBondContact N-OD1 2.76Å
307	L	98.2	Very high	95.8	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.204	C	C	.	.			trans	-73.8	130.2	179	-63.9	170.7	0	0	0	109.8	L283 I286 L302 N305 N329 P330 W331	L283-L307 HydrophobicContact CB-CD2 4.11Å; L283-L307 HydrophobicContact CB-CG 4.32Å; L283-L307 PolarHBondContact O-N 3.14Å; L283-L307 VanDerWaalsContact O-N 3.08Å; I286-L307 HydrophobicContact CD1-CD1 4.35Å; I286-L307 HydrophobicContact CG1-CD2 4.41Å; L302-L307 HydrophobicContact CB-CD1 4.28Å; L302-L307 HydrophobicContact CD1-CD1 4.45Å; L302-L307 HydrophobicContact CD2-CD1 4.4Å; N305-L307 HydrophobicContact CB-CG 4.33Å; L307-N329 HydrophobicContact CB-CB 4.42Å; L307-N329 WeakPolarHBondContact CB-OD1 3.36Å; L307-N329 PolarHBondContact N-OD1 3.18Å; L307-P330 CarbonylContact O-C 3.55Å; L307-P330 VanDerWaalsContact O-CD 3.26Å; L307-P330 WeakPolarHBondContact O-CD 3.48Å; L307-W331 HydrophobicContact CB-CH2 3.8Å; L307-W331 HydrophobicContact CB-CZ2 4.5Å; L307-W331 HydrophobicContact CB-CZ3 3.94Å; L307-W331 HydrophobicContact CD1-CH2 4.09Å
308	T	97.4	Very high	95.5	Very high	56 Å²	56	35.9 Å²	35.9	34%	0.344	20%	0.203	S	C	.	.	S	Bend	trans	-96.6	-26.2	173.1	60.1	0	0	0	0	112.2	P330 W331 E332	T308-P330 WeakPolarHBondContact CA-O 3.36Å; T308-P330 HydrophobicContact CG2-CG 4.23Å; T308-W331 CarbonylContact O-C 3.27Å; T308-W331 WeakPolarHBondContact O-CA 3.39Å; T308-E332 PolarHBondContact O-N 3.15Å
309	T	96	Very high	95	Very high	53 Å²	53	35.6 Å²	35.6	33%	0.325	20%	0.197	S	C	.	.			trans	-146.9	160.6	179.4	-170.9	0	0	0	0	111.1
310	L	95.2	Very high	94.4	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	23%	0.228	C	C	.	.			trans	-129.8	101.8	171.8	-177.1	62.4	0	0	0	107.7	I286 V314 F315 L326 W331 W339	I286-L310 HydrophobicContact CD1-CD1 4.18Å; L310-V314 HydrophobicContact CD1-CG1 4.13Å; L310-F315 HydrophobicContact CD2-CD2 4.22Å; L310-L326 HydrophobicContact CD2-CD1 4.38Å; L310-L326 HydrophobicContact CD2-CD2 4.3Å; L310-W331 HydrophobicContact CB-CH2 4.35Å; L310-W331 HydrophobicContact CB-CZ3 4.09Å; L310-W339 HydrophobicContact CB-CZ2 4.41Å; L310-W339 HydrophobicContact CD2-CH2 4.32Å; L310-W339 HydrophobicContact CD2-CZ2 4.27Å; L310-W339 HydrophobicContact CG-CZ2 4.12Å; L310-W339 WeakPolarHBondContact O-CZ2 3.3Å; L310-W339 PolarHBondContact O-NE1 3.25Å
311	P	93.8	Very high	94	Very high	55 Å²	55	43.3 Å²	43.3	36%	0.357	23%	0.229	S	C	.	.			trans	-65.2	142.6	-179.2	-22.8	33.9	0	0	0	112.1	S313 V314 F315	P311-S313 PolarHBondContact O-N 3.49Å; P311-V314 HydrophobicContact CB-CG2 4.26Å; P311-V314 HydrophobicContact CG-CG2 4.31Å; P311-V314 WeakPolarHBondContact O-CB 3.44Å; P311-V314 PolarHBondContact O-N 3.03Å; P311-V314 VanDerWaalsContact O-N 3.08Å; P311-F315 PolarHBondContact O-N 3.15Å
312	L	92.7	Very high	93.5	Very high	77 Å²	77	43.4 Å²	43.4	40%	0.403	24%	0.236	S	C	.	.	H	α-helix	trans	-57.2	-36.7	175.5	178.7	61.9	0	0	0	111.9	V314 F315 Q316 W339	L312-V314 PolarHBondContact O-N 3.13Å; L312-F315 PolarHBondContact O-N 2.68Å; L312-F315 VanDerWaalsContact O-N 3.11Å; L312-Q316 VanDerWaalsContact O-CB 3.25Å; L312-Q316 WeakPolarHBondContact O-CB 3.35Å; L312-Q316 PolarHBondContact O-N 3.27Å; L312-W339 HydrophobicContact CB-CD2 4.11Å; L312-W339 HydrophobicContact CB-CG 4.06Å; L312-W339 HydrophobicContact CD1-CD2 3.85Å; L312-W339 HydrophobicContact CD1-CE3 3.75Å; L312-W339 HydrophobicContact CD1-CG 4.28Å; L312-W339 HydrophobicContact CD1-CZ3 4.27Å
313	S	93	Very high	93.2	Very high	48 Å²	48	47.7 Å²	47.7	34%	0.336	26%	0.257	S	S	.	.	H	α-helix	trans	-61.4	-31.1	178.6	55.6	0	0	0	0	113.4	E288 P311	E288-S313 WeakPolarHBondContact OE1-CB 3.39Å; P311-S313 PolarHBondContact O-N 3.49Å
314	V	94.7	Very high	93	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-74.3	-39.8	174.6	172.9	0	0	0	0	110.8	I286 F291 L310 P311 L312 P317	I286-V314 HydrophobicContact CB-CG1 3.97Å; I286-V314 HydrophobicContact CG2-CG1 3.47Å; I286-V314 VanDerWaalsContact CG2-CG1 3.47Å; F291-V314 HydrophobicContact CD2-CG1 3.85Å; F291-V314 HydrophobicContact CE2-CG1 3.82Å; L310-V314 HydrophobicContact CD1-CG1 4.13Å; P311-V314 HydrophobicContact CB-CG2 4.26Å; P311-V314 HydrophobicContact CG-CG2 4.31Å; P311-V314 WeakPolarHBondContact O-CB 3.44Å; P311-V314 PolarHBondContact O-N 3.03Å; P311-V314 VanDerWaalsContact O-N 3.08Å; L312-V314 PolarHBondContact O-N 3.13Å; V314-P317 WeakPolarHBondContact O-CD 3.43Å
315	F	92.4	Very high	92.8	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-85.8	-28.1	-173.4	-174.2	-101.7	0	0	0	114.2	L310 P311 L312 P317 I318 Y319 L321 L324 W339 W343	L310-F315 HydrophobicContact CD2-CD2 4.22Å; P311-F315 PolarHBondContact O-N 3.15Å; L312-F315 PolarHBondContact O-N 2.68Å; L312-F315 VanDerWaalsContact O-N 3.11Å; F315-P317 VanDerWaalsContact C-N 3.33Å; F315-P317 VanDerWaalsContact O-N 3.16Å; F315-I318 HydrophobicContact CD2-CD1 4.17Å; F315-I318 HydrophobicContact CD2-CG1 4.01Å; F315-I318 HydrophobicContact CE2-CD1 4.47Å; F315-I318 HydrophobicContact CE2-CG1 4.28Å; F315-I318 CarbonylContact O-C 3.13Å; F315-I318 WeakPolarHBondContact O-CG1 3.48Å; F315-I318 PolarHBondContact O-N 2.85Å; F315-Y319 HydrophobicContact CD1-CD2 4.07Å; F315-Y319 AromaticContact CE1-CD2 3.91Å; F315-Y319 HydrophobicContact CE1-CD2 3.91Å; F315-Y319 HydrophobicContact CE1-CG 4.41Å; F315-Y319 PolarHBondContact O-N 3.08Å; F315-L321 HydrophobicContact CE2-CD1 3.73Å; F315-L321 HydrophobicContact CZ-CD1 4.29Å; F315-L324 HydrophobicContact CD2-CD2 4.46Å; F315-L324 HydrophobicContact CE2-CD1 4.43Å; F315-L324 HydrophobicContact CE2-CD2 3.62Å; F315-L324 HydrophobicContact CZ-CD2 4.09Å; F315-W339 HydrophobicContact CB-CH2 3.56Å; F315-W339 HydrophobicContact CB-CZ2 4.01Å; F315-W339 HydrophobicContact CB-CZ3 4.31Å; F315-W339 HydrophobicContact CD1-CE3 4.45Å; F315-W339 AromaticContact CD1-CH2 3.33Å; F315-W339 HydrophobicContact CD1-CH2 3.33Å; F315-W339 HydrophobicContact CD1-CZ2 4.48Å; F315-W339 AromaticContact CD1-CZ3 3.31Å; F315-W339 HydrophobicContact CD1-CZ3 3.31Å; F315-W339 HydrophobicContact CD2-CH2 4.14Å; F315-W339 HydrophobicContact CE1-CH2 4.02Å; F315-W339 AromaticContact CE1-CZ3 3.76Å; F315-W339 HydrophobicContact CE1-CZ3 3.76Å; F315-W339 AromaticContact CG-CH2 3.4Å; F315-W339 HydrophobicContact CG-CH2 3.4Å; F315-W339 HydrophobicContact CG-CZ2 4.32Å; F315-W339 AromaticContact CG-CZ3 3.92Å; F315-W339 HydrophobicContact CG-CZ3 3.92Å; F315-W343 HydrophobicContact CE1-CD2 4.22Å; F315-W343 AromaticContact CE1-CE2 3.84Å; F315-W343 HydrophobicContact CE1-CG 4.38Å; F315-W343 HydrophobicContact CE1-CZ2 4.3Å; F315-W343 AromaticContact CE1-NE1 3.68Å; F315-W343 HydrophobicContact CZ-CD2 4.28Å; F315-W343 AromaticContact CZ-CE2 3.76Å; F315-W343 HydrophobicContact CZ-CH2 4.23Å; F315-W343 AromaticContact CZ-CZ2 3.76Å; F315-W343 HydrophobicContact CZ-CZ2 3.76Å
316	Q	91.6	Very high	92.6	Very high	131 Å²	131	49.5 Å²	49.5	61%	0.612	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-50.6	-40.6	-174.5	-179.3	179.9	-8.3	0	0	114.4	L312 I318 Y319	L312-Q316 VanDerWaalsContact O-CB 3.25Å; L312-Q316 WeakPolarHBondContact O-CB 3.35Å; L312-Q316 PolarHBondContact O-N 3.27Å; Q316-I318 PolarHBondContact O-N 3.35Å; Q316-Y319 WeakPolarHBondContact O-CB 3.29Å; Q316-Y319 PolarHBondContact O-N 3.48Å
317	P	90.7	Very high	92.5	Very high	55 Å²	55	48.9 Å²	48.9	36%	0.357	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-61.8	-27.3	177.6	-24.3	35.7	0	0	0	114.3	F291 V314 F315	F291-P317 WeakPolarHBondContact O-CB 3.5Å; V314-P317 WeakPolarHBondContact O-CD 3.43Å; F315-P317 VanDerWaalsContact C-N 3.33Å; F315-P317 VanDerWaalsContact O-N 3.16Å
318	I	91.2	Very high	92.4	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-113.8	24.4	-175.3	58.7	174.9	0	0	0	111.9	F291 L294 L297 L300 F315 Q316 F320 L321	F291-I318 HydrophobicContact CB-CD1 3.99Å; F291-I318 HydrophobicContact CB-CG1 4.35Å; F291-I318 HydrophobicContact CB-CG2 3.84Å; F291-I318 HydrophobicContact CD2-CD1 3.46Å; F291-I318 VanDerWaalsContact CD2-CD1 3.46Å; F291-I318 HydrophobicContact CD2-CG1 4.39Å; F291-I318 HydrophobicContact CE2-CD1 4.09Å; F291-I318 HydrophobicContact CG-CD1 3.86Å; L294-I318 HydrophobicContact CB-CG2 4.16Å; L297-I318 HydrophobicContact CB-CG2 4.34Å; L297-I318 HydrophobicContact CD2-CB 4.49Å; L297-I318 HydrophobicContact CD2-CD1 4.24Å; L297-I318 HydrophobicContact CD2-CG2 3.99Å; L300-I318 HydrophobicContact CD2-CD1 3.62Å; F315-I318 HydrophobicContact CD2-CD1 4.17Å; F315-I318 HydrophobicContact CD2-CG1 4.01Å; F315-I318 HydrophobicContact CE2-CD1 4.47Å; F315-I318 HydrophobicContact CE2-CG1 4.28Å; F315-I318 CarbonylContact O-C 3.13Å; F315-I318 WeakPolarHBondContact O-CG1 3.48Å; F315-I318 PolarHBondContact O-N 2.85Å; Q316-I318 PolarHBondContact O-N 3.35Å; I318-F320 PolarHBondContact O-N 2.96Å; I318-L321 HydrophobicContact CB-CD1 4.16Å; I318-L321 HydrophobicContact CB-CG 4.16Å; I318-L321 HydrophobicContact CD1-CD1 3.76Å; I318-L321 HydrophobicContact CG1-CD1 4.03Å; I318-L321 VanDerWaalsContact O-CG 3.22Å; I318-L321 WeakPolarHBondContact O-CG 3.26Å; I318-L321 PolarHBondContact O-N 3.27Å; I318-L321 VanDerWaalsContact O-N 3.08Å
319	Y	85.4	Confident	92.4	Very high	76 Å²	76	53.5 Å²	53.5	30%	0.298	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.2	-174	-171.5	-92.3	0	0	0	114.5	F315 Q316 L321 W343 Y347	F315-Y319 HydrophobicContact CD1-CD2 4.07Å; F315-Y319 AromaticContact CE1-CD2 3.91Å; F315-Y319 HydrophobicContact CE1-CD2 3.91Å; F315-Y319 HydrophobicContact CE1-CG 4.41Å; F315-Y319 PolarHBondContact O-N 3.08Å; Q316-Y319 WeakPolarHBondContact O-CB 3.29Å; Q316-Y319 PolarHBondContact O-N 3.48Å; Y319-L321 VanDerWaalsContact C-N 3.33Å; Y319-L321 PolarHBondContact O-N 2.92Å; Y319-W343 AromaticContact CD2-CD1 3.95Å; Y319-W343 AromaticContact CE2-CD1 3.39Å; Y319-W343 HydrophobicContact CE2-CG 4.43Å; Y319-W343 AromaticContact CE2-NE1 4Å; Y319-W343 AromaticContact CZ-CD1 3.44Å; Y319-W343 VanDerWaalsContact CZ-CD1 3.44Å; Y319-W343 PolarHBondContact O-NE1 3.37Å; Y319-Y347 HydrophobicContact CE1-CE2 4.07Å; Y319-Y347 WeakPolarHBondContact CE1-OH 3.33Å
320	F	84.8	Confident	92.5	Very high	177 Å²	177	52.8 Å²	52.8	78%	0.776	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	17.9	-179.2	-58.8	-73.7	0	0	0	114.2	I318 G322	I318-F320 PolarHBondContact O-N 2.96Å; F320-G322 PolarHBondContact O-N 2.93Å
321	L	88.8	Confident	92.6	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	26%	0.263	C	S	.	.			trans	-50.5	137.7	175	-88	169	0	0	0	112.1	L297 I298 L300 F315 I318 Y319 L324	L297-L321 HydrophobicContact CB-CD2 4.33Å; L297-L321 HydrophobicContact CD2-CD2 4.01Å; L297-L321 HydrophobicContact CG-CD2 3.87Å; I298-L321 VanDerWaalsContact O-CD2 3.31Å; I298-L321 WeakPolarHBondContact O-CD2 3.38Å; L300-L321 HydrophobicContact CB-CD1 3.91Å; L300-L321 HydrophobicContact CB-CD2 4.2Å; L300-L321 HydrophobicContact CD2-CD1 4.23Å; F315-L321 HydrophobicContact CE2-CD1 3.73Å; F315-L321 HydrophobicContact CZ-CD1 4.29Å; I318-L321 HydrophobicContact CB-CD1 4.16Å; I318-L321 HydrophobicContact CB-CG 4.16Å; I318-L321 HydrophobicContact CD1-CD1 3.76Å; I318-L321 HydrophobicContact CG1-CD1 4.03Å; I318-L321 VanDerWaalsContact O-CG 3.22Å; I318-L321 WeakPolarHBondContact O-CG 3.26Å; I318-L321 PolarHBondContact O-N 3.27Å; I318-L321 VanDerWaalsContact O-N 3.08Å; Y319-L321 VanDerWaalsContact C-N 3.33Å; Y319-L321 PolarHBondContact O-N 2.92Å; L321-L324 HydrophobicContact CD1-CD1 4.24Å
322	G	87.6	Confident	92.7	Very high	26 Å²	26	54 Å²	54	27%	0.268	26%	0.264	S	S	.	.	S	Bend	trans	-80.2	-33.9	172.7	0	0	0	0	0	112.7	I298 F320 L349	I298-G322 WeakPolarHBondContact O-CA 3.48Å; I298-G322 PolarHBondContact O-N 3.07Å; F320-G322 PolarHBondContact O-N 2.93Å; G322-L349 WeakPolarHBondContact O-CD1 3.49Å
323	H	90.6	Very high	92.9	Very high	91 Å²	91	50.3 Å²	50.3	42%	0.421	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	129.8	-179.4	-54.3	93.2	0	0	0	111.1	I298 T299 L300 Y325	I298-H323 PolarHBondContact O-N 2.9Å; T299-H323 WeakPolarHBondContact CA-O 3.32Å; T299-H323 HydrophobicContact CG2-CB 4.05Å; L300-H323 PolarHBondContact N-O 3.31Å; H323-Y325 HydrophobicContact CB-CE2 3.87Å
324	L	93.1	Very high	93	Very high	6 Å²	6	50 Å²	50	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.1	178.1	176.7	65.9	0	0	0	109.5	L300 F315 L321 L326 W343 V350	L300-L324 HydrophobicContact CB-CD1 4.05Å; L300-L324 HydrophobicContact CD2-CD1 3.99Å; L300-L324 HydrophobicContact CG-CD1 4.08Å; L300-L324 WeakPolarHBondContact O-CA 3.3Å; F315-L324 HydrophobicContact CD2-CD2 4.46Å; F315-L324 HydrophobicContact CE2-CD1 4.43Å; F315-L324 HydrophobicContact CE2-CD2 3.62Å; F315-L324 HydrophobicContact CZ-CD2 4.09Å; L321-L324 HydrophobicContact CD1-CD1 4.24Å; L324-L326 HydrophobicContact CD1-CD2 4.07Å; L324-L326 HydrophobicContact CD1-CG 4.28Å; L324-L326 HydrophobicContact CD2-CD1 3.77Å; L324-L326 HydrophobicContact CD2-CD2 4.49Å; L324-L326 HydrophobicContact CD2-CG 4.1Å; L324-L326 HydrophobicContact CG-CD1 4.15Å; L324-L326 HydrophobicContact CG-CD2 4.23Å; L324-L326 HydrophobicContact CG-CG 3.9Å; L324-W343 HydrophobicContact CB-CH2 4.13Å; L324-W343 HydrophobicContact CB-CZ3 4.47Å; L324-W343 HydrophobicContact CD2-CH2 4.1Å; L324-W343 HydrophobicContact CD2-CZ3 3.89Å; L324-V350 HydrophobicContact CB-CG2 3.93Å; L324-V350 HydrophobicContact CG-CG2 4.48Å; L324-V350 VanDerWaalsContact O-CG2 3.22Å; L324-V350 WeakPolarHBondContact O-CG2 3.37Å
325	Y	94.7	Very high	92.9	Very high	86 Å²	86	51.3 Å²	51.3	34%	0.337	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114	-179.1	-60	-92.1	0	0	0	110.6	T299 L300 H301 L302 N303 H323 F327	T299-Y325 HydrophobicContact CG2-CE2 4.11Å; L300-Y325 PolarHBondContact O-N 3.32Å; H301-Y325 AromaticContact CD2-CD2 3.94Å; H301-Y325 AromaticContact CE1-CD2 3.19Å; H301-Y325 WeakPolarHBondContact CE1-CD2 2.89Å; H301-Y325 AromaticContact CE1-CE2 3.2Å; H301-Y325 WeakPolarHBondContact CE1-CE2 3.2Å; H301-Y325 AromaticContact CE1-CG 3.81Å; H301-Y325 AromaticContact CE1-CZ 3.82Å; H301-Y325 AromaticContact CG-CD2 3.74Å; H301-Y325 AromaticContact ND1-CD2 3.27Å; H301-Y325 VanDerWaalsContact ND1-CD2 3.27Å; H301-Y325 WeakPolarHBondContact ND1-CD2 3.43Å; H301-Y325 AromaticContact ND1-CE2 3.81Å; H301-Y325 AromaticContact ND1-CG 3.6Å; H301-Y325 AromaticContact NE2-CD2 3.61Å; H301-Y325 AromaticContact NE2-CE2 3.47Å; H301-Y325 WeakPolarHBondContact NE2-CE2 3.03Å; L302-Y325 CarbonylContact C-O 3.55Å; L302-Y325 WeakPolarHBondContact CA-O 3.02Å; L302-Y325 PolarHBondContact N-O 3.32Å; N303-Y325 PolarHBondContact N-O 2.79Å; N303-Y325 WeakPolarHBondContact OD1-CB 3.41Å; H323-Y325 HydrophobicContact CB-CE2 3.87Å; Y325-F327 HydrophobicContact CD1-CD1 4.49Å; Y325-F327 AromaticContact CD1-CE1 3.95Å; Y325-F327 HydrophobicContact CD1-CE1 3.95Å; Y325-F327 HydrophobicContact CG-CE1 4.45Å
326	L	95.3	Very high	92.9	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.266	C	S	.	.			trans	-121.1	-7.3	-173.7	-67.4	-179.2	0	0	0	114.5	L302 L310 L324 N329 W331 L340 I353	L302-L326 HydrophobicContact CB-CD2 3.97Å; L302-L326 HydrophobicContact CD1-CD2 4.06Å; L310-L326 HydrophobicContact CD2-CD1 4.38Å; L310-L326 HydrophobicContact CD2-CD2 4.3Å; L324-L326 HydrophobicContact CD1-CD2 4.07Å; L324-L326 HydrophobicContact CD1-CG 4.28Å; L324-L326 HydrophobicContact CD2-CD1 3.77Å; L324-L326 HydrophobicContact CD2-CD2 4.49Å; L324-L326 HydrophobicContact CD2-CG 4.1Å; L324-L326 HydrophobicContact CG-CD1 4.15Å; L324-L326 HydrophobicContact CG-CD2 4.23Å; L324-L326 HydrophobicContact CG-CG 3.9Å; L326-N329 PolarHBondContact O-ND2 3.34Å; L326-W331 HydrophobicContact CB-CZ2 3.7Å; L326-W331 HydrophobicContact CD1-CZ2 4.37Å; L326-W331 HydrophobicContact CD2-CH2 4.02Å; L326-W331 HydrophobicContact CD2-CZ2 3.84Å; L326-W331 HydrophobicContact CG-CZ2 4.16Å; L326-W331 WeakPolarHBondContact O-CZ2 3.41Å; L326-W331 PolarHBondContact O-NE1 3.09Å; L326-L340 HydrophobicContact CD1-CD1 4.02Å; L326-L340 HydrophobicContact CD1-CD2 3.77Å; L326-L340 HydrophobicContact CD1-CG 4.49Å; L326-I353 HydrophobicContact CB-CD1 3.85Å; L326-I353 HydrophobicContact CB-CG1 4.21Å; L326-I353 HydrophobicContact CD1-CD1 3.73Å; L326-I353 HydrophobicContact CG-CD1 4.4Å
327	F	94.6	Very high	93.1	Very high	67 Å²	67	46.8 Å²	46.8	29%	0.294	24%	0.237	S	C	.	.			trans	-58.2	158.4	-176	65.4	-91.6	0	0	0	112.8	N303 S304 Y325 D352	N303-F327 CarbonylContact C-O 3.48Å; N303-F327 WeakPolarHBondContact CA-O 3.29Å; N303-F327 HydrophobicContact CB-CD1 3.61Å; N303-F327 HydrophobicContact CB-CD2 3.88Å; N303-F327 HydrophobicContact CB-CE1 3.47Å; N303-F327 VanDerWaalsContact CB-CE1 3.47Å; N303-F327 HydrophobicContact CB-CE2 3.75Å; N303-F327 HydrophobicContact CB-CG 3.82Å; N303-F327 HydrophobicContact CB-CZ 3.55Å; N303-F327 WeakPolarHBondContact CB-O 3.34Å; N303-F327 VanDerWaalsContact ND2-CZ 3.25Å; N303-F327 WeakPolarHBondContact ND2-CZ 3.5Å; S304-F327 PolarHBondContact N-O 3.5Å; Y325-F327 HydrophobicContact CD1-CD1 4.49Å; Y325-F327 AromaticContact CD1-CE1 3.95Å; Y325-F327 HydrophobicContact CD1-CE1 3.95Å; Y325-F327 HydrophobicContact CG-CE1 4.45Å; F327-D352 WeakPolarHBondContact CA-O 3.38Å; F327-D352 HydrophobicContact CB-CB 4.33Å; F327-D352 WeakPolarHBondContact CB-O 3.03Å
328	K	96.2	Very high	93.1	Very high	146 Å²	146	45.8 Å²	45.8	64%	0.635	23%	0.229	S	C	*	.	S	Bend	trans	55.7	54.6	-176.5	-68	172.8	177.7	-174.3	0	112.6	S304 N305	S304-K328 WeakPolarHBondContact CA-O 3.4Å; S304-K328 PolarHBondContact N-O 3.09Å; S304-K328 VanDerWaalsContact N-O 3.1Å; S304-K328 WeakPolarHBondContact OG-CD 3.49Å; N305-K328 PolarHBondContact N-O 2.81Å
329	N	98.1	Very high	93.2	Very high	9 Å²	9	47.2 Å²	47.2	5%	0.048	23%	0.234	C	C	.	.	S	Bend	trans	-133.6	147.9	166.4	-83.6	-77.5	0	0	0	107.4	L302 N305 N306 L307 L326 W331	L302-N329 PolarHBondContact O-ND2 3.01Å; N305-N329 VanDerWaalsContact CA-OD1 3.24Å; N305-N329 WeakPolarHBondContact CA-OD1 3.35Å; N305-N329 WeakPolarHBondContact CB-OD1 3.43Å; N305-N329 PolarHBondContact N-OD1 3.07Å; N305-N329 PolarHBondContact O-OD1 3.17Å; N305-N329 VanDerWaalsContact O-OD1 3.11Å; N306-N329 PolarHBondContact N-OD1 2.76Å; L307-N329 HydrophobicContact CB-CB 4.42Å; L307-N329 WeakPolarHBondContact CB-OD1 3.36Å; L307-N329 PolarHBondContact N-OD1 3.18Å; L326-N329 PolarHBondContact O-ND2 3.34Å; N329-W331 HydrophobicContact CB-CD2 4.08Å; N329-W331 VanDerWaalsContact CB-CE2 3.42Å; N329-W331 HydrophobicContact CB-CG 4.4Å; N329-W331 HydrophobicContact CB-CH2 4.39Å; N329-W331 HydrophobicContact CB-CZ2 3.59Å; N329-W331 VanDerWaalsContact O-CD1 3.3Å; N329-W331 PolarHBondContact O-N 3.49Å
330	P	97.6	Very high	93.5	Very high	39 Å²	39	43.6 Å²	43.6	25%	0.253	22%	0.22	S	C	.	.			trans	-79.3	65.3	-179.5	34.8	-38.6	0	0	0	112.1	L307 T308 E332 A356	L307-P330 CarbonylContact O-C 3.55Å; L307-P330 VanDerWaalsContact O-CD 3.26Å; L307-P330 WeakPolarHBondContact O-CD 3.48Å; T308-P330 WeakPolarHBondContact CA-O 3.36Å; T308-P330 HydrophobicContact CG2-CG 4.23Å; P330-E332 PolarHBondContact O-N 3.38Å; P330-A356 HydrophobicContact CB-CB 3.95Å
331	W	97.4	Very high	93.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	129.6	-174.1	-61.9	109.1	0	0	0	113.2	L307 T308 L310 L326 N329 L337 I353 A356 S357	L307-W331 HydrophobicContact CB-CH2 3.8Å; L307-W331 HydrophobicContact CB-CZ2 4.5Å; L307-W331 HydrophobicContact CB-CZ3 3.94Å; L307-W331 HydrophobicContact CD1-CH2 4.09Å; T308-W331 CarbonylContact O-C 3.27Å; T308-W331 WeakPolarHBondContact O-CA 3.39Å; L310-W331 HydrophobicContact CB-CH2 4.35Å; L310-W331 HydrophobicContact CB-CZ3 4.09Å; L326-W331 HydrophobicContact CB-CZ2 3.7Å; L326-W331 HydrophobicContact CD1-CZ2 4.37Å; L326-W331 HydrophobicContact CD2-CH2 4.02Å; L326-W331 HydrophobicContact CD2-CZ2 3.84Å; L326-W331 HydrophobicContact CG-CZ2 4.16Å; L326-W331 WeakPolarHBondContact O-CZ2 3.41Å; L326-W331 PolarHBondContact O-NE1 3.09Å; N329-W331 HydrophobicContact CB-CD2 4.08Å; N329-W331 VanDerWaalsContact CB-CE2 3.42Å; N329-W331 HydrophobicContact CB-CG 4.4Å; N329-W331 HydrophobicContact CB-CH2 4.39Å; N329-W331 HydrophobicContact CB-CZ2 3.59Å; N329-W331 VanDerWaalsContact O-CD1 3.3Å; N329-W331 PolarHBondContact O-N 3.49Å; W331-L337 HydrophobicContact CB-CD1 4.13Å; W331-L337 HydrophobicContact CE3-CD1 4.21Å; W331-I353 HydrophobicContact CB-CG2 4.36Å; W331-I353 HydrophobicContact CD2-CG2 4.27Å; W331-I353 HydrophobicContact CG-CG2 3.71Å; W331-A356 PolarHBondContact O-N 3.28Å; W331-S357 PolarHBondContact O-N 2.98Å
332	E	97.1	Very high	93.8	Very high	82 Å²	82	41.1 Å²	41.1	38%	0.383	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	100.7	169.5	-179.6	160.9	-152.8	0	0	108.8	T308 P330 D334 L337 S357	T308-E332 PolarHBondContact O-N 3.15Å; P330-E332 PolarHBondContact O-N 3.38Å; E332-D334 VanDerWaalsContact C-N 3.25Å; E332-D334 HydrophobicContact CG-CB 4.49Å; E332-D334 PolarHBondContact O-N 3.03Å; E332-L337 WeakPolarHBondContact O-CD1 3.49Å; E332-S357 VanDerWaalsContact CA-OG 3.32Å; E332-S357 WeakPolarHBondContact CA-OG 3.21Å; E332-S357 WeakPolarHBondContact CB-OG 3.49Å; E332-S357 WeakPolarHBondContact CG-OG 3.34Å
333	C	96.1	Very high	93.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.			trans	-85.1	66.4	-175.1	-65.6	0	0	0	0	111.5	C355 S357 V361 L366 V369	C333-C355 HydrophobicContact CB-CB 3.71Å; C333-C355 WeakPolarHBondContact CB-SG 3.35Å; C333-C355 VanDerWaalsContact SG-CA 3.51Å; C333-C355 WeakPolarHBondContact SG-CB 3.4Å; C333-C355 CovalentContact SG-SG 2.02Å; C333-C355 PolarHBondContact SG-SG 3.2Å; C333-S357 PolarHBondContact N-O 2.85Å; C333-V361 HydrophobicContact CB-CG2 4.01Å; C333-L366 HydrophobicContact CB-CD1 4.37Å; C333-V369 HydrophobicContact CB-CG2 4.46Å
334	D	94.5	Very high	93.8	Very high	42 Å²	42	36.1 Å²	36.1	23%	0.225	18%	0.18	C	C	.	.	S	Bend	trans	-96.3	-176.4	169.2	69.6	10.6	0	0	0	111.2	E332 G336 L337 F371 D380	E332-D334 VanDerWaalsContact C-N 3.25Å; E332-D334 HydrophobicContact CG-CB 4.49Å; E332-D334 PolarHBondContact O-N 3.03Å; D334-G336 PolarHBondContact O-N 2.92Å; D334-G336 VanDerWaalsContact O-N 3.11Å; D334-G336 VanDerWaalsContact OD1-CA 3.24Å; D334-G336 WeakPolarHBondContact OD1-CA 3.29Å; D334-G336 PolarHBondContact OD1-N 3.06Å; D334-L337 PolarHBondContact O-N 3Å; D334-F371 WeakPolarHBondContact O-CE1 3.47Å; D334-F371 WeakPolarHBondContact O-CZ 3.21Å; D334-D380 WeakPolarHBondContact CB-OD1 3.4Å
335	C	93.3	Very high	93.4	Very high	31 Å²	31	40.6 Å²	40.6	21%	0.209	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-59.1	-19.4	176.4	-75.1	0	0	0	0	114.2	L337 D338 C378 V379 D380	C335-L337 PolarHBondContact O-N 3.16Å; C335-D338 WeakPolarHBondContact O-CB 3.43Å; C335-D338 PolarHBondContact O-N 2.8Å; C335-C378 VanDerWaalsContact CA-SG 3.51Å; C335-C378 HydrophobicContact CB-CB 3.66Å; C335-C378 WeakPolarHBondContact CB-SG 3.46Å; C335-C378 WeakPolarHBondContact SG-CB 3.45Å; C335-C378 CovalentContact SG-SG 2.03Å; C335-C378 PolarHBondContact SG-SG 2.79Å; C335-V379 PolarHBondContact SG-N 3.18Å; C335-V379 VanDerWaalsContact SG-N 3.35Å; C335-D380 VanDerWaalsContact CB-OD1 3.25Å; C335-D380 WeakPolarHBondContact CB-OD1 2.91Å; C335-D380 PolarHBondContact N-OD1 3.16Å; C335-D380 PolarHBondContact SG-OD1 3.2Å
336	G	93	Very high	92.9	Very high	37 Å²	37	40.8 Å²	40.8	38%	0.381	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-66	-22.5	173.9	0	0	0	0	0	113.5	D334 W339	D334-G336 PolarHBondContact O-N 2.92Å; D334-G336 VanDerWaalsContact O-N 3.11Å; D334-G336 VanDerWaalsContact OD1-CA 3.24Å; D334-G336 WeakPolarHBondContact OD1-CA 3.29Å; D334-G336 PolarHBondContact OD1-N 3.06Å; G336-W339 PolarHBondContact O-NE1 3.07Å
337	L	94.1	Very high	92	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-98.1	0.2	175.5	-71.1	-171.7	0	0	0	114.4	W331 E332 D334 C335 W339 L340 K341 L366	W331-L337 HydrophobicContact CB-CD1 4.13Å; W331-L337 HydrophobicContact CE3-CD1 4.21Å; E332-L337 WeakPolarHBondContact O-CD1 3.49Å; D334-L337 PolarHBondContact O-N 3Å; C335-L337 PolarHBondContact O-N 3.16Å; L337-W339 VanDerWaalsContact C-N 3.28Å; L337-W339 PolarHBondContact O-N 3Å; L337-L340 HydrophobicContact CD2-CB 4.48Å; L337-L340 HydrophobicContact CD2-CD2 4.1Å; L337-L340 WeakPolarHBondContact O-CB 3.47Å; L337-L340 PolarHBondContact O-N 2.81Å; L337-K341 PolarHBondContact O-N 2.81Å; L337-K341 VanDerWaalsContact O-N 3.09Å; L337-L366 HydrophobicContact CB-CD1 4.39Å
338	D	92.3	Very high	90.8	Very high	34 Å²	34	49.7 Å²	49.7	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-40.1	179.1	178.2	39.4	0	0	0	112	C335 L340 K341 Q342 F371	C335-D338 WeakPolarHBondContact O-CB 3.43Å; C335-D338 PolarHBondContact O-N 2.8Å; D338-L340 VanDerWaalsContact C-N 3.27Å; D338-L340 PolarHBondContact O-N 3.28Å; D338-K341 WeakPolarHBondContact O-CB 3.02Å; D338-K341 PolarHBondContact O-N 3.36Å; D338-Q342 WeakPolarHBondContact O-CG 3.28Å; D338-Q342 PolarHBondContact O-N 3.39Å; D338-Q342 PolarHBondContact OD1-NE2 3.19Å; D338-Q342 VanDerWaalsContact OD1-NE2 3.15Å; D338-Q342 PolarHBondContact OD2-NE2 2.88Å; D338-F371 HydrophobicContact CB-CB 4.4Å; D338-F371 HydrophobicContact CB-CD2 3.84Å; D338-F371 HydrophobicContact CB-CE2 4.28Å; D338-F371 HydrophobicContact CB-CG 4.07Å; D338-F371 WeakPolarHBondContact OD1-CD2 3.43Å
339	W	91.7	Very high	89.3	Confident	37 Å²	37	46.8 Å²	46.8	14%	0.14	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-39.8	175.8	80.4	-94.3	0	0	0	112	L310 L312 F315 G336 L337 Q342 W343	L310-W339 HydrophobicContact CB-CZ2 4.41Å; L310-W339 HydrophobicContact CD2-CH2 4.32Å; L310-W339 HydrophobicContact CD2-CZ2 4.27Å; L310-W339 HydrophobicContact CG-CZ2 4.12Å; L310-W339 WeakPolarHBondContact O-CZ2 3.3Å; L310-W339 PolarHBondContact O-NE1 3.25Å; L312-W339 HydrophobicContact CB-CD2 4.11Å; L312-W339 HydrophobicContact CB-CG 4.06Å; L312-W339 HydrophobicContact CD1-CD2 3.85Å; L312-W339 HydrophobicContact CD1-CE3 3.75Å; L312-W339 HydrophobicContact CD1-CG 4.28Å; L312-W339 HydrophobicContact CD1-CZ3 4.27Å; F315-W339 HydrophobicContact CB-CH2 3.56Å; F315-W339 HydrophobicContact CB-CZ2 4.01Å; F315-W339 HydrophobicContact CB-CZ3 4.31Å; F315-W339 HydrophobicContact CD1-CE3 4.45Å; F315-W339 AromaticContact CD1-CH2 3.33Å; F315-W339 HydrophobicContact CD1-CH2 3.33Å; F315-W339 HydrophobicContact CD1-CZ2 4.48Å; F315-W339 AromaticContact CD1-CZ3 3.31Å; F315-W339 HydrophobicContact CD1-CZ3 3.31Å; F315-W339 HydrophobicContact CD2-CH2 4.14Å; F315-W339 HydrophobicContact CE1-CH2 4.02Å; F315-W339 AromaticContact CE1-CZ3 3.76Å; F315-W339 HydrophobicContact CE1-CZ3 3.76Å; F315-W339 AromaticContact CG-CH2 3.4Å; F315-W339 HydrophobicContact CG-CH2 3.4Å; F315-W339 HydrophobicContact CG-CZ2 4.32Å; F315-W339 AromaticContact CG-CZ3 3.92Å; F315-W339 HydrophobicContact CG-CZ3 3.92Å; G336-W339 PolarHBondContact O-NE1 3.07Å; L337-W339 VanDerWaalsContact C-N 3.28Å; L337-W339 PolarHBondContact O-N 3Å; W339-Q342 PolarHBondContact O-N 2.72Å; W339-W343 HydrophobicContact CE3-CB 4.26Å; W339-W343 HydrophobicContact CZ3-CB 4.2Å; W339-W343 HydrophobicContact CZ3-CG 4.38Å; W339-W343 WeakPolarHBondContact O-CB 2.97Å; W339-W343 PolarHBondContact O-N 2.75Å
340	L	92.4	Very high	87.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-69.4	-41.9	-177.5	178.3	62.7	0	0	0	109.4	L326 L337 D338 Q342 W343 M344 I353 L366	L326-L340 HydrophobicContact CD1-CD1 4.02Å; L326-L340 HydrophobicContact CD1-CD2 3.77Å; L326-L340 HydrophobicContact CD1-CG 4.49Å; L337-L340 HydrophobicContact CD2-CB 4.48Å; L337-L340 HydrophobicContact CD2-CD2 4.1Å; L337-L340 WeakPolarHBondContact O-CB 3.47Å; L337-L340 PolarHBondContact O-N 2.81Å; D338-L340 VanDerWaalsContact C-N 3.27Å; D338-L340 PolarHBondContact O-N 3.28Å; L340-Q342 PolarHBondContact O-N 3.04Å; L340-W343 HydrophobicContact CD1-CE3 4.28Å; L340-W343 PolarHBondContact O-N 3.02Å; L340-M344 HydrophobicContact CD1-CG 4.46Å; L340-M344 HydrophobicContact CG-SD 4.2Å; L340-M344 WeakPolarHBondContact O-CG 3.49Å; L340-M344 PolarHBondContact O-N 3.06Å; L340-I353 HydrophobicContact CD2-CD1 4.25Å; L340-L366 HydrophobicContact CB-CD2 4.4Å; L340-L366 HydrophobicContact CD2-CD2 4.02Å; L340-L366 HydrophobicContact CG-CD2 4.12Å
341	K	91.5	Very high	86.7	Confident	31 Å²	31	53.8 Å²	53.8	14%	0.135	26%	0.264	C	S	.	.	H	α-helix	trans	-56.3	-50.3	171.9	178.4	179.4	172.9	-78.3	0	111.4	L337 D338 W343 M344 E345 L366 V369 F371	L337-K341 PolarHBondContact O-N 2.81Å; L337-K341 VanDerWaalsContact O-N 3.09Å; D338-K341 WeakPolarHBondContact O-CB 3.02Å; D338-K341 PolarHBondContact O-N 3.36Å; K341-W343 VanDerWaalsContact C-N 3.3Å; K341-W343 PolarHBondContact O-N 2.98Å; K341-M344 WeakPolarHBondContact O-CB 3.27Å; K341-M344 PolarHBondContact O-N 2.91Å; K341-E345 WeakPolarHBondContact CE-OE1 3.49Å; K341-E345 IonicContact NZ-OE1 3.74Å; K341-E345 PolarHBondContact NZ-OE1 3.17Å; K341-E345 IonicContact NZ-OE2 3.17Å; K341-E345 WeakPolarHBondContact O-CG 3.39Å; K341-E345 PolarHBondContact O-N 2.65Å; K341-L366 HydrophobicContact CB-CD1 4.27Å; K341-L366 HydrophobicContact CB-CD2 4.38Å; K341-L366 HydrophobicContact CB-CG 4.05Å; K341-L366 WeakPolarHBondContact CD-O 3.46Å; K341-V369 WeakPolarHBondContact CD-O 2.94Å; K341-V369 WeakPolarHBondContact CE-O 2.98Å; K341-F371 HydrophobicContact CB-CE2 4.14Å; K341-F371 HydrophobicContact CD-CD2 3.76Å; K341-F371 HydrophobicContact CD-CE2 3.65Å
342	Q	89.5	Confident	86.1	Confident	98 Å²	98	59.2 Å²	59.2	46%	0.458	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-39.6	179.4	-68.5	173.7	26.6	0	0	112.2	D338 W339 L340 E345 S346	D338-Q342 WeakPolarHBondContact O-CG 3.28Å; D338-Q342 PolarHBondContact O-N 3.39Å; D338-Q342 PolarHBondContact OD1-NE2 3.19Å; D338-Q342 VanDerWaalsContact OD1-NE2 3.15Å; D338-Q342 PolarHBondContact OD2-NE2 2.88Å; W339-Q342 PolarHBondContact O-N 2.72Å; L340-Q342 PolarHBondContact O-N 3.04Å; Q342-E345 PolarHBondContact O-N 2.87Å; Q342-S346 WeakPolarHBondContact O-CB 3.44Å; Q342-S346 PolarHBondContact O-N 3Å; Q342-S346 VanDerWaalsContact O-N 3.08Å; Q342-S346 PolarHBondContact O-OG 3.44Å
343	W	88.9	Confident	85.9	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-48.3	174.2	-176.4	88.8	0	0	0	111	F315 Y319 L324 W339 L340 K341 E345 S346 Y347 V350	F315-W343 HydrophobicContact CE1-CD2 4.22Å; F315-W343 AromaticContact CE1-CE2 3.84Å; F315-W343 HydrophobicContact CE1-CG 4.38Å; F315-W343 HydrophobicContact CE1-CZ2 4.3Å; F315-W343 AromaticContact CE1-NE1 3.68Å; F315-W343 HydrophobicContact CZ-CD2 4.28Å; F315-W343 AromaticContact CZ-CE2 3.76Å; F315-W343 HydrophobicContact CZ-CH2 4.23Å; F315-W343 AromaticContact CZ-CZ2 3.76Å; F315-W343 HydrophobicContact CZ-CZ2 3.76Å; Y319-W343 AromaticContact CD2-CD1 3.95Å; Y319-W343 AromaticContact CE2-CD1 3.39Å; Y319-W343 HydrophobicContact CE2-CG 4.43Å; Y319-W343 AromaticContact CE2-NE1 4Å; Y319-W343 AromaticContact CZ-CD1 3.44Å; Y319-W343 VanDerWaalsContact CZ-CD1 3.44Å; Y319-W343 PolarHBondContact O-NE1 3.37Å; L324-W343 HydrophobicContact CB-CH2 4.13Å; L324-W343 HydrophobicContact CB-CZ3 4.47Å; L324-W343 HydrophobicContact CD2-CH2 4.1Å; L324-W343 HydrophobicContact CD2-CZ3 3.89Å; W339-W343 HydrophobicContact CE3-CB 4.26Å; W339-W343 HydrophobicContact CZ3-CB 4.2Å; W339-W343 HydrophobicContact CZ3-CG 4.38Å; W339-W343 WeakPolarHBondContact O-CB 2.97Å; W339-W343 PolarHBondContact O-N 2.75Å; L340-W343 HydrophobicContact CD1-CE3 4.28Å; L340-W343 PolarHBondContact O-N 3.02Å; K341-W343 VanDerWaalsContact C-N 3.3Å; K341-W343 PolarHBondContact O-N 2.98Å; W343-E345 VanDerWaalsContact C-N 3.32Å; W343-E345 PolarHBondContact O-N 3.19Å; W343-S346 PolarHBondContact O-N 3.25Å; W343-Y347 AromaticContact CD1-CD2 3.62Å; W343-Y347 AromaticContact CD1-CE2 3.46Å; W343-Y347 VanDerWaalsContact CD1-CE2 3.46Å; W343-Y347 HydrophobicContact CD2-CD2 4.02Å; W343-Y347 AromaticContact CE2-CD2 3.69Å; W343-Y347 AromaticContact CG-CD2 3.97Å; W343-Y347 HydrophobicContact CG-CD2 3.97Å; W343-Y347 HydrophobicContact CG-CE2 4.23Å; W343-Y347 HydrophobicContact CZ2-CD2 4.31Å; W343-Y347 AromaticContact NE1-CD2 3.46Å; W343-Y347 AromaticContact NE1-CE2 3.37Å; W343-Y347 VanDerWaalsContact O-CD2 3.28Å; W343-Y347 WeakPolarHBondContact O-CD2 3.4Å; W343-Y347 PolarHBondContact O-N 2.03Å; W343-V350 HydrophobicContact CH2-CG2 4.07Å; W343-V350 HydrophobicContact CZ3-CB 4.39Å; W343-V350 HydrophobicContact CZ3-CG2 3.54Å
344	M	87.8	Confident	85.8	Confident	10 Å²	10	58 Å²	58	5%	0.049	29%	0.293	C	S	.	.	H	α-helix	trans	-57.2	-43.2	177.4	-68.8	168.8	67.4	0	0	112.7	L340 K341 K348 V350 I353 L366	L340-M344 HydrophobicContact CD1-CG 4.46Å; L340-M344 HydrophobicContact CG-SD 4.2Å; L340-M344 WeakPolarHBondContact O-CG 3.49Å; L340-M344 PolarHBondContact O-N 3.06Å; K341-M344 WeakPolarHBondContact O-CB 3.27Å; K341-M344 PolarHBondContact O-N 2.91Å; M344-K348 VanDerWaalsContact O-CA 3.31Å; M344-K348 WeakPolarHBondContact O-CA 3.41Å; M344-K348 PolarHBondContact O-N 3.24Å; M344-V350 HydrophobicContact CE-CB 4.41Å; M344-V350 HydrophobicContact CE-CG1 4.33Å; M344-V350 WeakPolarHBondContact CE-O 3.17Å; M344-V350 HydrophobicContact CG-CB 4.13Å; M344-I353 HydrophobicContact CE-CB 4.43Å; M344-I353 HydrophobicContact CE-CD1 3.7Å; M344-I353 HydrophobicContact CE-CG1 3.97Å; M344-I353 HydrophobicContact SD-CD1 3.51Å; M344-I353 VanDerWaalsContact SD-CD1 3.51Å; M344-I353 HydrophobicContact SD-CG1 4.39Å; M344-L366 HydrophobicContact SD-CD2 3.82Å; M344-L366 HydrophobicContact SD-CG 4.4Å
345	E	85.4	Confident	85.9	Confident	100 Å²	100	56.2 Å²	56.2	47%	0.467	28%	0.283	S	S	.	.	H	α-helix	trans	-65.2	-39.5	178.5	-73.1	173.5	174.9	0	0	112.2	K341 Q342 W343	K341-E345 WeakPolarHBondContact CE-OE1 3.49Å; K341-E345 IonicContact NZ-OE1 3.74Å; K341-E345 PolarHBondContact NZ-OE1 3.17Å; K341-E345 IonicContact NZ-OE2 3.17Å; K341-E345 WeakPolarHBondContact O-CG 3.39Å; K341-E345 PolarHBondContact O-N 2.65Å; Q342-E345 PolarHBondContact O-N 2.87Å; W343-E345 VanDerWaalsContact C-N 3.32Å; W343-E345 PolarHBondContact O-N 3.19Å
346	S	84.8	Confident	86.1	Confident	90 Å²	90	56.8 Å²	56.8	63%	0.629	29%	0.29	S	S	*	.	H	α-helix	trans	-68.1	-40.7	-178.9	-61.6	0	0	0	0	112.3	Q342 W343	Q342-S346 WeakPolarHBondContact O-CB 3.44Å; Q342-S346 PolarHBondContact O-N 3Å; Q342-S346 VanDerWaalsContact O-N 3.08Å; Q342-S346 PolarHBondContact O-OG 3.44Å; W343-S346 PolarHBondContact O-N 3.25Å
347	Y	76.6	Confident	86.2	Confident	91 Å²	91	56.5 Å²	56.5	36%	0.357	28%	0.282	S	S	.	.	H	α-helix	trans	-98.4	-22.2	-174.2	-69.1	-83	0	0	0	113.7	Y319 W343 L349	Y319-Y347 HydrophobicContact CE1-CE2 4.07Å; Y319-Y347 WeakPolarHBondContact CE1-OH 3.33Å; W343-Y347 AromaticContact CD1-CD2 3.62Å; W343-Y347 AromaticContact CD1-CE2 3.46Å; W343-Y347 VanDerWaalsContact CD1-CE2 3.46Å; W343-Y347 HydrophobicContact CD2-CD2 4.02Å; W343-Y347 AromaticContact CE2-CD2 3.69Å; W343-Y347 AromaticContact CG-CD2 3.97Å; W343-Y347 HydrophobicContact CG-CD2 3.97Å; W343-Y347 HydrophobicContact CG-CE2 4.23Å; W343-Y347 HydrophobicContact CZ2-CD2 4.31Å; W343-Y347 AromaticContact NE1-CD2 3.46Å; W343-Y347 AromaticContact NE1-CE2 3.37Å; W343-Y347 VanDerWaalsContact O-CD2 3.28Å; W343-Y347 WeakPolarHBondContact O-CD2 3.4Å; W343-Y347 PolarHBondContact O-N 2.03Å; Y347-L349 HydrophobicContact CD1-CD1 4.4Å; Y347-L349 HydrophobicContact CG-CD1 4.44Å; Y347-L349 WeakPolarHBondContact O-CG 3.5Å; Y347-L349 PolarHBondContact O-N 3.11Å
348	K	68.4	Low	86.2	Confident	165 Å²	165	57.5 Å²	57.5	72%	0.717	29%	0.289	S	S	*	.			trans	57.9	19.2	-175.7	-54.9	-177.1	-179.2	-179.9	0	114.8	M344	M344-K348 VanDerWaalsContact O-CA 3.31Å; M344-K348 WeakPolarHBondContact O-CA 3.41Å; M344-K348 PolarHBondContact O-N 3.24Å
349	L	65.2	Low	86.2	Confident	85 Å²	85	59.9 Å²	59.9	45%	0.445	31%	0.308	S	S	.	.			trans	-91.7	-21.7	-170.1	-69.7	168.7	0	0	0	114	G322 Y347	G322-L349 WeakPolarHBondContact O-CD1 3.49Å; Y347-L349 HydrophobicContact CD1-CD1 4.4Å; Y347-L349 HydrophobicContact CG-CD1 4.44Å; Y347-L349 WeakPolarHBondContact O-CG 3.5Å; Y347-L349 PolarHBondContact O-N 3.11Å
350	V	68.9	Low	86.2	Confident	10 Å²	10	60.2 Å²	60.2	6%	0.061	32%	0.316	C	S	.	.			trans	-122.6	135.5	-173.1	-174.9	0	0	0	0	110.6	L324 W343 M344 I353	L324-V350 HydrophobicContact CB-CG2 3.93Å; L324-V350 HydrophobicContact CG-CG2 4.48Å; L324-V350 VanDerWaalsContact O-CG2 3.22Å; L324-V350 WeakPolarHBondContact O-CG2 3.37Å; W343-V350 HydrophobicContact CH2-CG2 4.07Å; W343-V350 HydrophobicContact CZ3-CB 4.39Å; W343-V350 HydrophobicContact CZ3-CG2 3.54Å; M344-V350 HydrophobicContact CE-CB 4.41Å; M344-V350 HydrophobicContact CE-CG1 4.33Å; M344-V350 WeakPolarHBondContact CE-O 3.17Å; M344-V350 HydrophobicContact CG-CB 4.13Å; V350-I353 HydrophobicContact CG1-CD1 3.76Å; V350-I353 HydrophobicContact CG1-CG1 4.11Å
351	R	72.4	Confident	86.2	Confident	185 Å²	185	60.8 Å²	60.8	70%	0.698	32%	0.319	S	S	*	.			trans	-139.5	167.6	179.3	-60.6	-173.5	-176	-162.6	0	109
352	D	84.6	Confident	86.3	Confident	113 Å²	113	61 Å²	61	60%	0.604	33%	0.327	S	S	*	.			trans	67	51.3	173.7	-47.6	-42.3	0	0	0	112.9	F327 P354 D365	F327-D352 WeakPolarHBondContact CA-O 3.38Å; F327-D352 HydrophobicContact CB-CB 4.33Å; F327-D352 WeakPolarHBondContact CB-O 3.03Å; D352-P354 WeakPolarHBondContact O-CD 3.4Å; D352-D365 VanDerWaalsContact CA-OD2 3.31Å; D352-D365 WeakPolarHBondContact CA-OD2 3.46Å; D352-D365 PolarHBondContact N-OD2 3.01Å
353	I	92.8	Very high	86.5	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	34%	0.335	C	S	.	.			trans	-107.9	75	170.8	-54.1	-168.5	0	0	0	108.1	L326 W331 L340 M344 V350 D365 L366	L326-I353 HydrophobicContact CB-CD1 3.85Å; L326-I353 HydrophobicContact CB-CG1 4.21Å; L326-I353 HydrophobicContact CD1-CD1 3.73Å; L326-I353 HydrophobicContact CG-CD1 4.4Å; W331-I353 HydrophobicContact CB-CG2 4.36Å; W331-I353 HydrophobicContact CD2-CG2 4.27Å; W331-I353 HydrophobicContact CG-CG2 3.71Å; L340-I353 HydrophobicContact CD2-CD1 4.25Å; M344-I353 HydrophobicContact CE-CB 4.43Å; M344-I353 HydrophobicContact CE-CD1 3.7Å; M344-I353 HydrophobicContact CE-CG1 3.97Å; M344-I353 HydrophobicContact SD-CD1 3.51Å; M344-I353 VanDerWaalsContact SD-CD1 3.51Å; M344-I353 HydrophobicContact SD-CG1 4.39Å; V350-I353 HydrophobicContact CG1-CD1 3.76Å; V350-I353 HydrophobicContact CG1-CG1 4.11Å; I353-D365 PolarHBondContact N-OD2 3.47Å; I353-L366 HydrophobicContact CB-CB 4.06Å; I353-L366 HydrophobicContact CG2-CB 3.99Å; I353-L366 HydrophobicContact CG2-CD2 4.13Å; I353-L366 PolarHBondContact O-N 2.95Å
354	P	94.3	Very high	86.7	Confident	58 Å²	58	62.6 Å²	62.6	38%	0.377	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-69.2	134.3	176.4	29.6	-34.5	0	0	0	110.5	D352 L364	D352-P354 WeakPolarHBondContact O-CD 3.4Å; P354-L364 CarbonylContact C-O 3.57Å; P354-L364 WeakPolarHBondContact CA-O 3.48Å
355	C	96.4	Very high	86.9	Confident	4 Å²	4	63.4 Å²	63.4	3%	0.027	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	132.7	174.5	-59.5	0	0	0	0	110.4	C333 V361 A362 G363 L364 V369	C333-C355 HydrophobicContact CB-CB 3.71Å; C333-C355 WeakPolarHBondContact CB-SG 3.35Å; C333-C355 VanDerWaalsContact SG-CA 3.51Å; C333-C355 WeakPolarHBondContact SG-CB 3.4Å; C333-C355 CovalentContact SG-SG 2.02Å; C333-C355 PolarHBondContact SG-SG 3.2Å; C355-V361 HydrophobicContact CB-CG2 4.19Å; C355-V361 WeakPolarHBondContact CB-O 3.21Å; C355-A362 CarbonylContact O-C 3Å; C355-A362 WeakPolarHBondContact O-CA 3.29Å; C355-G363 PolarHBondContact O-N 3.3Å; C355-L364 PolarHBondContact N-O 2.84Å; C355-L364 PolarHBondContact SG-O 3.35Å; C355-V369 VanDerWaalsContact SG-CG2 3.57Å
356	A	97.5	Very high	87.3	Confident	42 Å²	42	58.7 Å²	58.7	35%	0.347	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-32.6	170.8	0	0	0	0	0	111.7	P330 W331 A362	P330-A356 HydrophobicContact CB-CB 3.95Å; W331-A356 PolarHBondContact O-N 3.28Å; A356-A362 WeakPolarHBondContact O-CB 3.47Å
357	S	95.3	Very high	87.5	Confident	32 Å²	32	57.2 Å²	57.2	22%	0.224	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	164.4	177.3	55.7	0	0	0	0	110.4	W331 E332 C333	W331-S357 PolarHBondContact O-N 2.98Å; E332-S357 VanDerWaalsContact CA-OG 3.32Å; E332-S357 WeakPolarHBondContact CA-OG 3.21Å; E332-S357 WeakPolarHBondContact CB-OG 3.49Å; E332-S357 WeakPolarHBondContact CG-OG 3.34Å; C333-S357 PolarHBondContact N-O 2.85Å
358	P	94.5	Very high	88.2	Confident	21 Å²	21	58.9 Å²	58.9	14%	0.136	34%	0.336	C	S	.	.	S	Bend	cis	-67.9	168.7	-12.8	29.6	-35.7	0	0	0	113	S360 V361 A362 P381 A382	P358-S360 PolarHBondContact O-N 3.22Å; P358-V361 HydrophobicContact CG-CG2 3.99Å; P358-V361 PolarHBondContact O-N 3.05Å; P358-A362 PolarHBondContact O-N 3.06Å; P358-P381 HydrophobicContact CG-CB 4.21Å; P358-A382 HydrophobicContact CB-CB 3.8Å; P358-A382 HydrophobicContact CG-CB 3.96Å
359	S	91.5	Very high	89.3	Confident	83 Å²	83	51.1 Å²	51.1	58%	0.58	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-25	-177	-46	0	0	0	0	114.5	V361	S359-V361 VanDerWaalsContact C-N 3.29Å; S359-V361 PolarHBondContact O-N 3.04Å
360	S	91.1	Very high	90.5	Very high	44 Å²	44	52.3 Å²	52.3	31%	0.308	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.6	179	41.3	0	0	0	0	113.5	P358 P381	P358-S360 PolarHBondContact O-N 3.22Å; S360-P381 PolarHBondContact OG-O 3.24Å
361	V	93.3	Very high	91.5	Very high	13 Å²	13	52.8 Å²	52.8	8%	0.079	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	2	-176.3	-60.4	0	0	0	0	112.8	C333 C355 P358 S359 G363 L364 V369 P381	C333-V361 HydrophobicContact CB-CG2 4.01Å; C355-V361 HydrophobicContact CB-CG2 4.19Å; C355-V361 WeakPolarHBondContact CB-O 3.21Å; P358-V361 HydrophobicContact CG-CG2 3.99Å; P358-V361 PolarHBondContact O-N 3.05Å; S359-V361 VanDerWaalsContact C-N 3.29Å; S359-V361 PolarHBondContact O-N 3.04Å; V361-G363 PolarHBondContact O-N 3.34Å; V361-L364 HydrophobicContact CB-CD1 4.27Å; V361-L364 HydrophobicContact CG1-CD1 4.46Å; V361-L364 VanDerWaalsContact O-CB 3.31Å; V361-L364 WeakPolarHBondContact O-CB 3.42Å; V361-L364 PolarHBondContact O-N 2.95Å; V361-V369 HydrophobicContact CB-CG2 4.09Å; V361-V369 HydrophobicContact CG1-CG1 4.13Å; V361-V369 HydrophobicContact CG1-CG2 4.38Å; V361-V369 HydrophobicContact CG2-CG2 4.49Å; V361-P381 HydrophobicContact CG1-CB 3.73Å; V361-P381 HydrophobicContact CG1-CG 4.36Å; V361-P381 HydrophobicContact CG2-CB 4.44Å
362	A	94.1	Very high	92.1	Very high	35 Å²	35	45.9 Å²	45.9	29%	0.289	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	129.6	178	0	0	0	0	0	111.4	C355 A356 P358 L364	C355-A362 CarbonylContact O-C 3Å; C355-A362 WeakPolarHBondContact O-CA 3.29Å; A356-A362 WeakPolarHBondContact O-CB 3.47Å; P358-A362 PolarHBondContact O-N 3.06Å; A362-L364 VanDerWaalsContact C-N 3.33Å
363	G	91.9	Very high	92	Very high	62 Å²	62	45.5 Å²	45.5	64%	0.639	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-15.4	-176.3	0	0	0	0	0	115.1	C355 V361	C355-G363 PolarHBondContact O-N 3.3Å; V361-G363 PolarHBondContact O-N 3.34Å
364	L	93.1	Very high	91.5	Very high	71 Å²	71	47.8 Å²	47.8	37%	0.372	31%	0.314	S	S	.	.	S	Bend	trans	-76.4	145.9	172.4	-59.3	179.7	0	0	0	110.3	P354 C355 V361 A362 V369	P354-L364 CarbonylContact C-O 3.57Å; P354-L364 WeakPolarHBondContact CA-O 3.48Å; C355-L364 PolarHBondContact N-O 2.84Å; C355-L364 PolarHBondContact SG-O 3.35Å; V361-L364 HydrophobicContact CB-CD1 4.27Å; V361-L364 HydrophobicContact CG1-CD1 4.46Å; V361-L364 VanDerWaalsContact O-CB 3.31Å; V361-L364 WeakPolarHBondContact O-CB 3.42Å; V361-L364 PolarHBondContact O-N 2.95Å; A362-L364 VanDerWaalsContact C-N 3.33Å; L364-V369 HydrophobicContact CB-CG2 4.44Å
365	D	92.9	Very high	91	Very high	28 Å²	28	53.4 Å²	53.4	15%	0.15	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-71.9	142.3	168.1	-176.2	-93.6	0	0	0	109.9	D352 I353 S367 Q368	D352-D365 VanDerWaalsContact CA-OD2 3.31Å; D352-D365 WeakPolarHBondContact CA-OD2 3.46Å; D352-D365 PolarHBondContact N-OD2 3.01Å; I353-D365 PolarHBondContact N-OD2 3.47Å; D365-S367 PolarHBondContact O-N 3.33Å; D365-S367 VanDerWaalsContact OD1-CB 3.23Å; D365-S367 WeakPolarHBondContact OD1-CB 3.24Å; D365-S367 PolarHBondContact OD1-N 3.36Å; D365-S367 PolarHBondContact OD1-OG 3.02Å; D365-Q368 WeakPolarHBondContact O-CB 3.5Å; D365-Q368 PolarHBondContact O-N 3.21Å
366	L	93.4	Very high	90.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-52.5	-32.4	-178.9	-179.7	59.8	0	0	0	112.9	C333 L337 L340 K341 M344 I353 Q368 V369 F371	C333-L366 HydrophobicContact CB-CD1 4.37Å; L337-L366 HydrophobicContact CB-CD1 4.39Å; L340-L366 HydrophobicContact CB-CD2 4.4Å; L340-L366 HydrophobicContact CD2-CD2 4.02Å; L340-L366 HydrophobicContact CG-CD2 4.12Å; K341-L366 HydrophobicContact CB-CD1 4.27Å; K341-L366 HydrophobicContact CB-CD2 4.38Å; K341-L366 HydrophobicContact CB-CG 4.05Å; K341-L366 WeakPolarHBondContact CD-O 3.46Å; M344-L366 HydrophobicContact SD-CD2 3.82Å; M344-L366 HydrophobicContact SD-CG 4.4Å; I353-L366 HydrophobicContact CB-CB 4.06Å; I353-L366 HydrophobicContact CG2-CB 3.99Å; I353-L366 HydrophobicContact CG2-CD2 4.13Å; I353-L366 PolarHBondContact O-N 2.95Å; L366-Q368 PolarHBondContact O-N 3.09Å; L366-Q368 VanDerWaalsContact O-N 3.16Å; L366-V369 PolarHBondContact O-N 3.14Å; L366-F371 HydrophobicContact CD1-CE2 3.91Å; L366-F371 HydrophobicContact CD1-CZ 3.83Å
367	S	90.2	Very high	89.6	Confident	60 Å²	60	59.1 Å²	59.1	42%	0.42	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-62.4	-20.4	176.1	63.9	0	0	0	0	114.1	D365	D365-S367 PolarHBondContact O-N 3.33Å; D365-S367 VanDerWaalsContact OD1-CB 3.23Å; D365-S367 WeakPolarHBondContact OD1-CB 3.24Å; D365-S367 PolarHBondContact OD1-N 3.36Å; D365-S367 PolarHBondContact OD1-OG 3.02Å
368	Q	90.9	Very high	89.2	Confident	126 Å²	126	59.4 Å²	59.4	59%	0.589	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-97.6	-11.7	-179.3	-57.5	177.5	1.3	0	0	113	D365 L366	D365-Q368 WeakPolarHBondContact O-CB 3.5Å; D365-Q368 PolarHBondContact O-N 3.21Å; L366-Q368 PolarHBondContact O-N 3.09Å; L366-Q368 VanDerWaalsContact O-N 3.16Å
369	V	91.6	Very high	88.9	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.012	39%	0.39	C	S	.	.			trans	-74.5	132.2	-177.9	177.7	0	0	0	0	110.3	C333 K341 C355 V361 L364 L366 F371 P381	C333-V369 HydrophobicContact CB-CG2 4.46Å; K341-V369 WeakPolarHBondContact CD-O 2.94Å; K341-V369 WeakPolarHBondContact CE-O 2.98Å; C355-V369 VanDerWaalsContact SG-CG2 3.57Å; V361-V369 HydrophobicContact CB-CG2 4.09Å; V361-V369 HydrophobicContact CG1-CG1 4.13Å; V361-V369 HydrophobicContact CG1-CG2 4.38Å; V361-V369 HydrophobicContact CG2-CG2 4.49Å; L364-V369 HydrophobicContact CB-CG2 4.44Å; L366-V369 PolarHBondContact O-N 3.14Å; V369-F371 HydrophobicContact CB-CE2 4.37Å; V369-F371 HydrophobicContact CB-CZ 4.23Å; V369-F371 HydrophobicContact CG1-CD1 4.25Å; V369-F371 HydrophobicContact CG1-CE1 3.7Å; V369-F371 HydrophobicContact CG1-CE2 4.05Å; V369-F371 HydrophobicContact CG1-CZ 3.59Å; V369-P381 HydrophobicContact CG1-CG 4.02Å
370	V	89.1	Confident	88.8	Confident	109 Å²	109	58.6 Å²	58.6	66%	0.661	38%	0.377	S	S	*	.			trans	-97.1	122.9	175.9	-178.3	0	0	0	0	109.3	P372	V370-P372 WeakPolarHBondContact O-CD 3.31Å
371	F	90.7	Very high	88.5	Confident	21 Å²	21	56.7 Å²	56.7	9%	0.092	36%	0.363	C	S	.	.			trans	-103.3	90.5	171.9	-62.7	-63.7	0	0	0	109.3	D334 D338 K341 L366 V369 P381	D334-F371 WeakPolarHBondContact O-CE1 3.47Å; D334-F371 WeakPolarHBondContact O-CZ 3.21Å; D338-F371 HydrophobicContact CB-CB 4.4Å; D338-F371 HydrophobicContact CB-CD2 3.84Å; D338-F371 HydrophobicContact CB-CE2 4.28Å; D338-F371 HydrophobicContact CB-CG 4.07Å; D338-F371 WeakPolarHBondContact OD1-CD2 3.43Å; K341-F371 HydrophobicContact CB-CE2 4.14Å; K341-F371 HydrophobicContact CD-CD2 3.76Å; K341-F371 HydrophobicContact CD-CE2 3.65Å; L366-F371 HydrophobicContact CD1-CE2 3.91Å; L366-F371 HydrophobicContact CD1-CZ 3.83Å; V369-F371 HydrophobicContact CB-CE2 4.37Å; V369-F371 HydrophobicContact CB-CZ 4.23Å; V369-F371 HydrophobicContact CG1-CD1 4.25Å; V369-F371 HydrophobicContact CG1-CE1 3.7Å; V369-F371 HydrophobicContact CG1-CE2 4.05Å; V369-F371 HydrophobicContact CG1-CZ 3.59Å; F371-P381 HydrophobicContact CD1-CG 4.01Å; F371-P381 HydrophobicContact CE1-CG 3.91Å
372	P	84	Confident	87.9	Confident	40 Å²	40	58.3 Å²	58.3	26%	0.26	38%	0.378	S	S	.	.			trans	-68.5	150.2	179.9	25.1	-28.9	0	0	0	111	V370 C378 V379 L384	V370-P372 WeakPolarHBondContact O-CD 3.31Å; P372-C378 WeakPolarHBondContact O-CA 2.87Å; P372-V379 HydrophobicContact CG-CB 4.36Å; P372-V379 PolarHBondContact O-N 3.47Å; P372-L384 HydrophobicContact CG-CD1 3.59Å; P372-L384 HydrophobicContact CG-CD2 3.72Å; P372-L384 HydrophobicContact CG-CG 4.15Å
373	T	83.8	Confident	86.9	Confident	105 Å²	105	62.1 Å²	62.1	64%	0.644	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.8	174.6	51.6	0	0	0	0	109.8	T377	T373-T377 CarbonylContact C-O 3.59Å; T373-T377 VanDerWaalsContact CA-O 3.31Å; T373-T377 WeakPolarHBondContact CA-O 3.44Å
374	A	82.7	Confident	85.5	Confident	47 Å²	47	62 Å²	62	39%	0.388	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123	170.5	0	0	0	0	0	107.9	G376 T377 V379	A374-G376 PolarHBondContact O-N 2.76Å; A374-G376 VanDerWaalsContact O-N 3.09Å; A374-T377 PolarHBondContact N-O 3.22Å; A374-T377 PolarHBondContact O-N 2.67Å; A374-T377 PolarHBondContact O-OG1 3.18Å; A374-V379 HydrophobicContact CB-CG2 3.6Å
375	N	83.6	Confident	83.8	Confident	176 Å²	176	64.5 Å²	64.5	94%	0.941	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	29.7	-176.7	-61.2	-17.5	0	0	0	114.7	T377	N375-T377 VanDerWaalsContact C-N 3.33Å
376	G	79.9	Confident	81.4	Confident	72 Å²	72	70.5 Å²	70.5	74%	0.742	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	0.5	-179.3	0	0	0	0	0	115.2	A374	A374-G376 PolarHBondContact O-N 2.76Å; A374-G376 VanDerWaalsContact O-N 3.09Å
377	T	84.6	Confident	78.7	Confident	94 Å²	94	76.2 Å²	76.2	58%	0.577	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	137.1	171.7	49.9	0	0	0	0	110.5	T373 A374 N375	T373-T377 CarbonylContact C-O 3.59Å; T373-T377 VanDerWaalsContact CA-O 3.31Å; T373-T377 WeakPolarHBondContact CA-O 3.44Å; A374-T377 PolarHBondContact N-O 3.22Å; A374-T377 PolarHBondContact O-N 2.67Å; A374-T377 PolarHBondContact O-OG1 3.18Å; N375-T377 VanDerWaalsContact C-N 3.33Å
378	C	87.1	Confident	76.1	Confident	39 Å²	39	77.9 Å²	77.9	26%	0.264	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	141.7	172.7	178.7	0	0	0	0	110.3	C335 P372	C335-C378 VanDerWaalsContact CA-SG 3.51Å; C335-C378 HydrophobicContact CB-CB 3.66Å; C335-C378 WeakPolarHBondContact CB-SG 3.46Å; C335-C378 WeakPolarHBondContact SG-CB 3.45Å; C335-C378 CovalentContact SG-SG 2.03Å; C335-C378 PolarHBondContact SG-SG 2.79Å; P372-C378 WeakPolarHBondContact O-CA 2.87Å
379	V	88.3	Confident	73.3	Confident	31 Å²	31	77.2 Å²	77.2	19%	0.188	48%	0.478	C	S	.	.			trans	-114.1	130.2	176.1	178.5	0	0	0	0	109.3	C335 P372 A374 E383 L384	C335-V379 PolarHBondContact SG-N 3.18Å; C335-V379 VanDerWaalsContact SG-N 3.35Å; P372-V379 HydrophobicContact CG-CB 4.36Å; P372-V379 PolarHBondContact O-N 3.47Å; A374-V379 HydrophobicContact CB-CG2 3.6Å; V379-E383 HydrophobicContact CG1-CB 4.15Å; V379-L384 HydrophobicContact CG1-CD2 4.44Å
380	D	87.6	Confident	70.6	Confident	55 Å²	55	81.4 Å²	81.4	29%	0.294	51%	0.508	S	S	.	.			trans	-65.9	140.9	-174.6	-74.5	-29.7	0	0	0	112.1	D334 C335 A382 E383	D334-D380 WeakPolarHBondContact CB-OD1 3.4Å; C335-D380 VanDerWaalsContact CB-OD1 3.25Å; C335-D380 WeakPolarHBondContact CB-OD1 2.91Å; C335-D380 PolarHBondContact N-OD1 3.16Å; C335-D380 PolarHBondContact SG-OD1 3.2Å; D380-A382 PolarHBondContact O-N 2.79Å; D380-E383 HydrophobicContact CB-CG 4.3Å; D380-E383 PolarHBondContact O-N 3.28Å
381	P	85.1	Confident	68.1	Low	4 Å²	4	81.3 Å²	81.3	3%	0.026	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.4	177.1	-25.9	35.4	0	0	0	114.6	P358 S360 V361 V369 F371	P358-P381 HydrophobicContact CG-CB 4.21Å; S360-P381 PolarHBondContact OG-O 3.24Å; V361-P381 HydrophobicContact CG1-CB 3.73Å; V361-P381 HydrophobicContact CG1-CG 4.36Å; V361-P381 HydrophobicContact CG2-CB 4.44Å; V369-P381 HydrophobicContact CG1-CG 4.02Å; F371-P381 HydrophobicContact CD1-CG 4.01Å; F371-P381 HydrophobicContact CE1-CG 3.91Å
382	A	80.8	Confident	65.6	Low	47 Å²	47	89.3 Å²	89.3	39%	0.388	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-35.5	173.9	0	0	0	0	0	112.5	P358 D380 L384 N385	P358-A382 HydrophobicContact CB-CB 3.8Å; P358-A382 HydrophobicContact CG-CB 3.96Å; D380-A382 PolarHBondContact O-N 2.79Å; A382-L384 VanDerWaalsContact C-N 3.33Å; A382-N385 PolarHBondContact O-N 3.36Å
383	E	73	Confident	63.3	Low	115 Å²	115	94 Å²	94	54%	0.537	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-77.2	-22.3	-176.4	-62.4	-169.3	156.2	0	0	112.5	V379 D380 N385 L386	V379-E383 HydrophobicContact CG1-CB 4.15Å; D380-E383 HydrophobicContact CB-CG 4.3Å; D380-E383 PolarHBondContact O-N 3.28Å; E383-N385 PolarHBondContact O-N 3.44Å; E383-L386 PolarHBondContact O-N 2.84Å
384	L	64	Low	60.9	Low	59 Å²	59	97.7 Å²	97.7	31%	0.309	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-63.8	-21.8	175.8	-63.9	170.8	0	0	0	112.8	P372 V379 A382 L386 T388	P372-L384 HydrophobicContact CG-CD1 3.59Å; P372-L384 HydrophobicContact CG-CD2 3.72Å; P372-L384 HydrophobicContact CG-CG 4.15Å; V379-L384 HydrophobicContact CG1-CD2 4.44Å; A382-L384 VanDerWaalsContact C-N 3.33Å; L384-L386 PolarHBondContact O-N 3.39Å; L384-T388 PolarHBondContact O-OG1 2.88Å
385	N	56	Low	58.8	Low	124 Å²	124	99.5 Å²	99.5	66%	0.663	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-71.9	-3.5	172.9	-78.5	-20.1	0	0	0	114.1	A382 E383	A382-N385 PolarHBondContact O-N 3.36Å; E383-N385 PolarHBondContact O-N 3.44Å
386	L	42.8	Very low	57	Low	154 Å²	154	94.9 Å²	94.9	81%	0.806	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-111.1	1.2	-179.6	-90.5	145.6	0	0	0	115	E383 L384	E383-L386 PolarHBondContact O-N 2.84Å; L384-L386 PolarHBondContact O-N 3.39Å
387	T	36.9	Very low	55.2	Low	120 Å²	120	97.6 Å²	97.6	74%	0.736	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.5	-2.6	179.9	43.7	0	0	0	0	118.6
388	T	35	Very low	53.2	Low	96 Å²	96	100 Å²	100	59%	0.589	58%	0.58	S	S	*	*			trans	-120.3	75.9	176.3	43.2	0	0	0	0	113.5	L384 S390	L384-T388 PolarHBondContact O-OG1 2.88Å; T388-S390 PolarHBondContact O-N 3.12Å
389	A	33.8	Very low	51.4	Low	111 Å²	111	102.3 Å²	102.3	92%	0.917	59%	0.59	S	S	*	*			trans	-73.2	69.2	150.6	0	0	0	0	0	110
390	S	34.3	Very low	49.5	Very low	91 Å²	91	109.2 Å²	109.2	64%	0.636	61%	0.612	S	S	*	*			trans	175	116.2	158.3	60.4	0	0	0	0	104.7	T388	T388-S390 PolarHBondContact O-N 3.12Å
391	S	35.8	Very low	47.5	Very low	106 Å²	106	113.2 Å²	113.2	74%	0.741	63%	0.627	S	S	*	*			cis	-169.4	142.5	32.1	33.7	0	0	0	0	107.2
392	E	39.2	Very low	45.7	Very low	190 Å²	190	117.1 Å²	117.1	89%	0.888	65%	0.648	S	S	*	*			trans	39.1	86	159.4	-62.9	-173.2	168	0	0	119.2
393	V	36.1	Very low	44.3	Very low	138 Å²	138	116.5 Å²	116.5	84%	0.836	64%	0.641	S	S	*	*			trans	-137.6	116.3	137.2	-177.3	0	0	0	0	107.6	P395	V393-P395 WeakPolarHBondContact O-CD 3.17Å
394	Q	32.3	Very low	43	Very low	183 Å²	183	116 Å²	116	86%	0.855	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-73.7	124	175.3	-78.4	-173.6	-21.8	0	0	109.9	T396	Q394-T396 PolarHBondContact O-N 3.34Å
395	P	38.1	Very low	42.6	Very low	84 Å²	84	116.9 Å²	116.9	55%	0.545	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-74.3	123.9	172.3	27.9	-29.7	0	0	0	109.7	V393	V393-P395 WeakPolarHBondContact O-CD 3.17Å
396	T	47.2	Very low	42.2	Very low	79 Å²	79	113.5 Å²	113.5	49%	0.485	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-70.7	154.1	172.3	55.5	0	0	0	0	110.6	Q394 E398 N399	Q394-T396 PolarHBondContact O-N 3.34Å; T396-E398 PolarHBondContact O-N 3.07Å; T396-E398 VanDerWaalsContact O-N 3.12Å; T396-N399 PolarHBondContact O-N 3.29Å
397	T	40.6	Very low	42.4	Very low	129 Å²	129	112.2 Å²	112.2	79%	0.791	62%	0.619	S	S	*	*	H	α-helix	trans	-57.4	-24.3	-179.3	8.8	0	0	0	0	113.5	F401	T397-F401 PolarHBondContact O-N 3.39Å
398	E	43.5	Very low	42.6	Very low	144 Å²	144	111.3 Å²	111.3	67%	0.673	61%	0.61	S	S	*	*	H	α-helix	trans	-65.9	-39.3	174	-119.3	170.7	168.5	0	0	112.7	T396 R400 F401 N402	T396-E398 PolarHBondContact O-N 3.07Å; T396-E398 VanDerWaalsContact O-N 3.12Å; E398-R400 VanDerWaalsContact C-N 3.33Å; E398-R400 PolarHBondContact O-N 2.01Å; E398-F401 PolarHBondContact O-N 3.17Å; E398-N402 PolarHBondContact O-N 3.03Å; E398-N402 PolarHBondContact O-ND2 2.97Å
399	N	49.6	Very low	43.2	Very low	89 Å²	89	111.5 Å²	111.5	48%	0.476	61%	0.606	S	S	.	*	H	α-helix	trans	-70.2	-30.1	-178.5	-68	-8.3	0	0	0	112.4	T396 S403	T396-N399 PolarHBondContact O-N 3.29Å; N399-S403 WeakPolarHBondContact O-CB 3.02Å; N399-S403 PolarHBondContact O-N 3Å
400	R	48.7	Very low	43.8	Very low	175 Å²	175	112.8 Å²	112.8	66%	0.66	59%	0.594	S	S	*	*	H	α-helix	trans	-73.3	-35.6	173	-74.5	-173.5	178.6	-175.2	0.5	112.2	E398 L404	E398-R400 VanDerWaalsContact C-N 3.33Å; E398-R400 PolarHBondContact O-N 2.01Å; R400-L404 PolarHBondContact O-N 3.28Å; R400-L404 VanDerWaalsContact O-N 3.14Å
401	F	44.2	Very low	44.2	Very low	139 Å²	139	114 Å²	114	61%	0.61	59%	0.589	S	S	*	*	H	α-helix	trans	-70.1	-43.1	179.3	-161.1	-99.5	0	0	0	111.4	T397 E398 S403 L404 I405	T397-F401 PolarHBondContact O-N 3.39Å; E398-F401 PolarHBondContact O-N 3.17Å; F401-S403 PolarHBondContact O-N 2.75Å; F401-L404 PolarHBondContact O-N 3.42Å; F401-I405 HydrophobicContact CD1-CD1 3.93Å; F401-I405 HydrophobicContact CE1-CD1 3.69Å; F401-I405 HydrophobicContact CE1-CG1 4.47Å; F401-I405 PolarHBondContact O-N 3.28Å; F401-I405 VanDerWaalsContact O-N 3.1Å
402	N	47.5	Very low	44.4	Very low	86 Å²	86	115.6 Å²	115.6	46%	0.46	59%	0.585	S	S	.	*	H	α-helix	trans	-64.7	-37.7	175.2	-68.1	-22.6	0	0	0	112.3	E398 L404 I405 S406	E398-N402 PolarHBondContact O-N 3.03Å; E398-N402 PolarHBondContact O-ND2 2.97Å; N402-L404 VanDerWaalsContact C-N 3.34Å; N402-L404 PolarHBondContact O-N 3.14Å; N402-I405 PolarHBondContact O-N 2.01Å; N402-S406 PolarHBondContact O-N 3.27Å; N402-S406 PolarHBondContact O-OG 2.74Å
403	S	51.8	Low	44.4	Very low	35 Å²	35	112.7 Å²	112.7	25%	0.245	58%	0.575	C	S	.	*	H	α-helix	trans	-64.7	-34.6	174.2	-178.5	0	0	0	0	113.3	N399 F401 K407	N399-S403 WeakPolarHBondContact O-CB 3.02Å; N399-S403 PolarHBondContact O-N 3Å; F401-S403 PolarHBondContact O-N 2.75Å; S403-K407 WeakPolarHBondContact O-CG 3.46Å; S403-K407 PolarHBondContact O-N 3.34Å; S403-K407 VanDerWaalsContact O-N 3.14Å
404	L	46.1	Very low	44.6	Very low	104 Å²	104	116 Å²	116	55%	0.545	57%	0.572	S	S	.	*	H	α-helix	trans	-70.6	-38.7	175.7	-99.8	146.5	0	0	0	112	R400 F401 N402 K407 L408	R400-L404 PolarHBondContact O-N 3.28Å; R400-L404 VanDerWaalsContact O-N 3.14Å; F401-L404 PolarHBondContact O-N 3.42Å; N402-L404 VanDerWaalsContact C-N 3.34Å; N402-L404 PolarHBondContact O-N 3.14Å; L404-K407 PolarHBondContact O-N 3.17Å; L404-L408 WeakPolarHBondContact O-CG 3.49Å; L404-L408 PolarHBondContact O-N 2.79Å
405	I	55.3	Low	44.9	Very low	77 Å²	77	114.6 Å²	114.6	40%	0.395	57%	0.565	S	S	.	*	H	α-helix	trans	-66	-44.6	175.2	-69	-179.7	0	0	0	111	F401 N402 K407 L408 L409	F401-I405 HydrophobicContact CD1-CD1 3.93Å; F401-I405 HydrophobicContact CE1-CD1 3.69Å; F401-I405 HydrophobicContact CE1-CG1 4.47Å; F401-I405 PolarHBondContact O-N 3.28Å; F401-I405 VanDerWaalsContact O-N 3.1Å; N402-I405 PolarHBondContact O-N 2.01Å; I405-K407 VanDerWaalsContact C-N 3.27Å; I405-K407 PolarHBondContact O-N 3.45Å; I405-L408 PolarHBondContact O-N 3.25Å; I405-L409 HydrophobicContact CG2-CD1 3.76Å; I405-L409 PolarHBondContact O-N 3.3Å
406	S	47.9	Very low	44.9	Very low	53 Å²	53	119.4 Å²	119.4	37%	0.371	58%	0.581	S	S	.	*	H	α-helix	trans	-62	-34.5	176.2	-61.7	0	0	0	0	112.7	N402 Q410	N402-S406 PolarHBondContact O-N 3.27Å; N402-S406 PolarHBondContact O-OG 2.74Å; S406-Q410 WeakPolarHBondContact O-CG 3.31Å; S406-Q410 PolarHBondContact O-N 3.43Å
407	K	45.9	Very low	44.3	Very low	127 Å²	127	123.9 Å²	123.9	55%	0.552	60%	0.598	S	S	*	*	H	α-helix	trans	-71.7	-37.7	174.8	-79.3	-179.2	178.1	180	0	113.2	S403 L404 I405 Q411	S403-K407 WeakPolarHBondContact O-CG 3.46Å; S403-K407 PolarHBondContact O-N 3.34Å; S403-K407 VanDerWaalsContact O-N 3.14Å; L404-K407 PolarHBondContact O-N 3.17Å; I405-K407 VanDerWaalsContact C-N 3.27Å; I405-K407 PolarHBondContact O-N 3.45Å; K407-Q411 WeakPolarHBondContact O-CB 3.18Å; K407-Q411 PolarHBondContact O-N 3.18Å
408	L	42.3	Very low	43.9	Very low	102 Å²	102	120.4 Å²	120.4	53%	0.534	59%	0.588	S	S	.	*	H	α-helix	trans	-69.1	-41	177.1	-77.1	161.6	0	0	0	111.6	L404 I405 Q410 Q411 E412	L404-L408 WeakPolarHBondContact O-CG 3.49Å; L404-L408 PolarHBondContact O-N 2.79Å; I405-L408 PolarHBondContact O-N 3.25Å; L408-Q410 PolarHBondContact O-N 3.5Å; L408-Q411 PolarHBondContact O-N 3.19Å; L408-Q411 VanDerWaalsContact O-N 3.15Å; L408-E412 PolarHBondContact O-N 3.29Å; L408-E412 VanDerWaalsContact O-N 3.11Å
409	L	46.3	Very low	43.5	Very low	99 Å²	99	121.8 Å²	121.8	52%	0.518	60%	0.6	S	S	.	*	H	α-helix	trans	-64	-38.3	175.1	-81.9	158.1	0	0	0	112.9	I405 Q411 L413	I405-L409 HydrophobicContact CG2-CD1 3.76Å; I405-L409 PolarHBondContact O-N 3.3Å; L409-Q411 VanDerWaalsContact C-N 3.28Å; L409-Q411 PolarHBondContact O-N 3.27Å; L409-L413 PolarHBondContact O-N 2.86Å
410	Q	47.1	Very low	42.7	Very low	139 Å²	139	120.5 Å²	120.5	65%	0.65	61%	0.608	S	S	*	*	H	α-helix	trans	-69.6	-24.8	174.3	-80.1	-178.9	-18.5	0	0	113.2	S406 L408 R414	S406-Q410 WeakPolarHBondContact O-CG 3.31Å; S406-Q410 PolarHBondContact O-N 3.43Å; L408-Q410 PolarHBondContact O-N 3.5Å; Q410-R414 PolarHBondContact O-N 2.8Å
411	Q	42.7	Very low	41.7	Very low	115 Å²	115	118.8 Å²	118.8	54%	0.537	62%	0.617	S	S	.	*	H	α-helix	trans	-80.9	-39.1	179.9	-162.1	168.6	-6.7	0	0	111.8	K407 L408 L409 L413 R414 E415	K407-Q411 WeakPolarHBondContact O-CB 3.18Å; K407-Q411 PolarHBondContact O-N 3.18Å; L408-Q411 PolarHBondContact O-N 3.19Å; L408-Q411 VanDerWaalsContact O-N 3.15Å; L409-Q411 VanDerWaalsContact C-N 3.28Å; L409-Q411 PolarHBondContact O-N 3.27Å; Q411-L413 VanDerWaalsContact C-N 3.33Å; Q411-L413 PolarHBondContact O-N 2.91Å; Q411-R414 PolarHBondContact O-N 3.22Å; Q411-R414 VanDerWaalsContact O-N 3.11Å; Q411-E415 PolarHBondContact O-N 3.36Å
412	E	39.5	Very low	41.1	Very low	140 Å²	140	120.8 Å²	120.8	65%	0.654	63%	0.628	S	S	*	*	H	α-helix	trans	-62.1	-37.7	172.3	-79.9	179.2	156	0	0	112.3	L408 R414 E415	L408-E412 PolarHBondContact O-N 3.29Å; L408-E412 VanDerWaalsContact O-N 3.11Å; E412-R414 VanDerWaalsContact C-N 3.25Å; E412-R414 PolarHBondContact O-N 2.92Å; E412-E415 PolarHBondContact O-N 2.92Å
413	L	39.7	Very low	40.1	Very low	129 Å²	129	122.7 Å²	122.7	68%	0.675	65%	0.648	S	S	*	*	H	α-helix	trans	-68.1	-21.5	174.6	-84.2	156.4	0	0	0	113.8	L409 Q411	L409-L413 PolarHBondContact O-N 2.86Å; Q411-L413 VanDerWaalsContact C-N 3.33Å; Q411-L413 PolarHBondContact O-N 2.91Å
414	R	40	Very low	39	Very low	209 Å²	209	124.8 Å²	124.8	79%	0.789	67%	0.667	S	S	*	*	H	α-helix	trans	-88.8	-24.3	-179.6	-137.6	178.2	-172.2	-156.4	2.3	112.7	Q410 Q411 E412	Q410-R414 PolarHBondContact O-N 2.8Å; Q411-R414 PolarHBondContact O-N 3.22Å; Q411-R414 VanDerWaalsContact O-N 3.11Å; E412-R414 VanDerWaalsContact C-N 3.25Å; E412-R414 PolarHBondContact O-N 2.92Å
415	E	39.3	Very low	38.2	Very low	152 Å²	152	130.7 Å²	130.7	71%	0.71	68%	0.683	S	S	*	*	H	α-helix	trans	-80.6	-24.3	177.5	-71.9	-174.1	-179.9	0	0	113.1	Q411 E412	Q411-E415 PolarHBondContact O-N 3.36Å; E412-E415 PolarHBondContact O-N 2.92Å
416	E	36.8	Very low	36.7	Very low	185 Å²	185	134.6 Å²	134.6	86%	0.864	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-14.9	174.4	-74	-154.8	150.8	0	0	114.7
417	M	35.3	Very low	35.7	Very low	173 Å²	173	136.1 Å²	136.1	85%	0.852	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	11.5	-175.2	-132.7	166.6	62.5	0	0	114.1
418	G	33.4	Very low	34.8	Very low	56 Å²	56	136.7 Å²	136.7	58%	0.577	73%	0.734	S	S	*	*	S	Bend	trans	-99.5	-5.5	-174.2	0	0	0	0	0	117.2
419	N	33.2	Very low	34.1	Very low	173 Å²	173	138.8 Å²	138.8	93%	0.925	75%	0.745	S	S	*	*			trans	-121.7	82.3	179.3	-87.1	-13.4	0	0	0	111.6
420	G	32.8	Very low	33.4	Very low	62 Å²	62	140 Å²	140	64%	0.639	76%	0.759	S	S	*	*			trans	-159.8	105.3	170.8	0	0	0	0	0	111.9
421	T	29.3	Very low	32.5	Very low	139 Å²	139	141.1 Å²	141.1	85%	0.853	76%	0.764	S	S	*	*			trans	127.7	129.2	165.8	53	0	0	0	0	109.9
422	E	30.1	Very low	32.4	Very low	182 Å²	182	140.1 Å²	140.1	85%	0.85	77%	0.768	S	S	*	*			cis	-166.8	146	23.6	-122.4	173.8	-167.4	0	0	108.7
423	S	27.8	Very low	31.8	Very low	126 Å²	126	141.2 Å²	141.2	88%	0.881	77%	0.773	S	S	*	*				158.4	134.1	125.1	-170	0	0	0	0	112.2
424	A	28.8	Very low	31.2	Very low	78 Å²	78	143.8 Å²	143.8	65%	0.645	78%	0.781	S	S	*	*			trans	-101.6	160.7	-171.1	0	0	0	0	0	112.7
425	R	28.3	Very low	30.6	Very low	228 Å²	228	137.5 Å²	137.5	86%	0.86	78%	0.782	S	S	*	*			trans	80	115.6	155.6	-57.4	-179.4	177.8	-178.5	-0.7	118.5
426	N	24.7	Very low	30	Very low	160 Å²	160	139.2 Å²	139.2	86%	0.856	79%	0.79	S	S	*	*				-171.4	151.8	99	-97.1	-17.7	0	0	0	113.2
427	A	27.1	Very low	29.6	Very low	84 Å²	84	138.7 Å²	138.7	69%	0.694	79%	0.792	S	S	*	*			trans	-52.5	161.3	173.5	0	0	0	0	0	112.6
428	T	26.6	Very low	29.2	Very low	139 Å²	139	135.5 Å²	135.5	85%	0.853	79%	0.786	S	S	*	*				-179.4	145.3	61.3	-25.6	0	0	0	0	108.2
429	L	27.9	Very low	28.9	Very low	147 Å²	147	137.3 Å²	137.3	77%	0.77	80%	0.796	S	S	*	*			trans	-70.9	155.8	158.9	-92.1	162.2	0	0	0	109.5
430	P	31.6	Very low	28.6	Very low	124 Å²	124	133 Å²	133	81%	0.805	79%	0.792	S	S	*	*				-145.6	160.8	61.3	36.8	-15.5	0	0	0	118.1
431	E	27.3	Very low	28.5	Very low	163 Å²	163	137.1 Å²	137.1	76%	0.762	81%	0.805	S	S	*	*			trans	-56.8	175.1	158.1	-103.9	-156.7	-153.2	0	0	112.8
432	P	40.3	Very low	28.3	Very low	93 Å²	93	134.2 Å²	134.2	60%	0.604	80%	0.803	S	S	*	*			cis	-152	-176.4	37.8	44.5	-22.7	0	0	0	118.3
433	E	26.8	Very low	28.1	Very low	163 Å²	163	128.9 Å²	128.9	76%	0.762	80%	0.796	S	S	*	*			trans	73.8	136.9	155	-75.1	166.1	-159.7	0	0	117.3
434	E	28.4	Very low	28	Very low	183 Å²	183	135.5 Å²	135.5	86%	0.855	80%	0.802	S	S	*	*			cis	-168.2	161	34.3	-133	173.9	-163.6	0	0	108.5
435	G	27.7	Very low	27.8	Very low	77 Å²	77	134.7 Å²	134.7	79%	0.794	80%	0.802	S	S	*	*			trans	106.3	87.2	143.3	0	0	0	0	0	119.8
436	Q	26	Very low	27.8	Very low	189 Å²	189	130.3 Å²	130.3	88%	0.883	80%	0.8	S	S	*	*			trans	-66.1	167.8	152.2	-77.5	172	-23.7	0	0	112.3
437	L	27.8	Very low	28	Very low	173 Å²	173	131.3 Å²	131.3	91%	0.906	80%	0.8	S	S	*	*			trans	108.9	137.5	168.5	-61.8	159.1	0	0	0	112
438	S	27.1	Very low	28	Very low	106 Å²	106	131.7 Å²	131.7	74%	0.741	80%	0.803	S	S	*	*			cis	-172.5	160.8	-10.3	-176	0	0	0	0	106
439	A	27.8	Very low	28.1	Very low	95 Å²	95	131.7 Å²	131.7	79%	0.785	80%	0.802	S	S	*	*			trans	-11.6	130.9	165.2	0	0	0	0	0	119
440	G	27.5	Very low	28.1	Very low	81 Å²	81	133.4 Å²	133.4	84%	0.835	81%	0.807	S	S	*	*			trans	-133.5	107.6	159.5	0	0	0	0	0	110.3
441	V	28.8	Very low	28	Very low	149 Å²	149	132 Å²	132	90%	0.903	80%	0.8	S	S	*	*			trans	-83.9	142.1	176.2	165.7	0	0	0	0	110.5
442	G	26.5	Very low	27.9	Very low	79 Å²	79	131.2 Å²	131.2	81%	0.814	80%	0.8	S	S	*	*			trans	99	130.9	158.9	0	0	0	0	0	113.9
443	G	24.8	Very low	27.3	Very low	69 Å²	69	133.9 Å²	133.9	71%	0.711	81%	0.808	S	S	*	*			cis	166.3	165.5	6.4	0	0	0	0	0	108.2
444	R	27.2	Very low	27.2	Very low	265 Å²	265	130.7 Å²	130.7	100%	1	80%	0.803	S	S	*	*			trans	72.2	125.9	-179.8	-61.1	174.9	167.6	-177.8	-4.3	113.7
445	G	24.5	Very low	27	Very low	62 Å²	62	130.9 Å²	130.9	64%	0.639	80%	0.801	S	S	*	*			cis	130.1	146.1	22.9	0	0	0	0	0	107.9
446	T	28.3	Very low	27.1	Very low	136 Å²	136	132.7 Å²	132.7	83%	0.834	80%	0.797	S	S	*	*			trans	78	127.2	-173.9	73.8	0	0	0	0	114.6
447	Q	28.5	Very low	27.1	Very low	180 Å²	180	129 Å²	129	84%	0.841	79%	0.787	S	S	*	*			cis	-166.1	147.9	6.9	-118.2	169.9	-1.2	0	0	108.5
448	A	26.8	Very low	27.1	Very low	92 Å²	92	127.2 Å²	127.2	76%	0.76	78%	0.783	S	S	*	*			trans	38.9	131.1	147.7	0	0	0	0	0	119.2
449	V	28	Very low	27.1	Very low	139 Å²	139	132.4 Å²	132.4	84%	0.842	79%	0.787	S	S	*	*				-147.6	123.4	66.8	174.9	0	0	0	0	110.7
450	Q	28.1	Very low	27	Very low	184 Å²	184	134.4 Å²	134.4	86%	0.86	78%	0.784	S	S	*	*			trans	-83.6	129.7	162.1	-118.9	176	-13.9	0	0	108.7
451	S	29.5	Very low	27	Very low	94 Å²	94	139.9 Å²	139.9	66%	0.657	79%	0.785	S	S	*	*			trans	-41.8	137.2	152	51.8	0	0	0	0	112.6
452	L	26.6	Very low	26.9	Very low	146 Å²	146	138.4 Å²	138.4	76%	0.764	78%	0.78	S	S	*	*				-174	122.4	127.8	-120.6	84.8	0	0	0	111.5
453	L	26.9	Very low	26.8	Very low	149 Å²	149	137.7 Å²	137.7	78%	0.78	77%	0.772	S	S	*	*			trans	59.5	147.6	132.5	-79.4	164.8	0	0	0	123.1
454	C	24.4	Very low	27	Very low	97 Å²	97	142.2 Å²	142.2	66%	0.655	78%	0.779	S	S	*	*			trans	85.7	141.2	159.7	-78.1	0	0	0	0	117
455	F	25	Very low	26.9	Very low	186 Å²	186	139.7 Å²	139.7	82%	0.816	78%	0.776	S	S	*	*			cis	-153.6	151.3	16.3	-115.1	-72.9	0	0	0	109.7
456	T	29.2	Very low	27.1	Very low	116 Å²	116	145.1 Å²	145.1	71%	0.712	78%	0.784	S	S	*	*			trans	-62.3	152.7	160.9	47.2	0	0	0	0	113.2
457	V	26.7	Very low	27.2	Very low	111 Å²	111	146.3 Å²	146.3	67%	0.673	79%	0.785	S	S	*	*				156.8	126.8	128.3	162.6	0	0	0	0	111.5
458	T	28.1	Very low	27.2	Very low	135 Å²	135	142.2 Å²	142.2	83%	0.828	78%	0.776	S	S	*	*			trans	176.2	95.7	133.9	32.2	0	0	0	0	107.5
459	W	26.2	Very low	27.4	Very low	215 Å²	215	145.7 Å²	145.7	81%	0.814	78%	0.776	S	S	*	*				42.3	106.3	88	-80.1	66.5	0	0	0	114.7
460	L	26	Very low	27.5	Very low	137 Å²	137	143.8 Å²	143.8	72%	0.717	78%	0.775	S	S	*	*				82.5	115.5	78	-109.9	161.1	0	0	0	114.9
461	F	27.4	Very low	28	Very low	197 Å²	197	143.7 Å²	143.7	86%	0.864	80%	0.795	S	S	*	*			trans	161.7	133.1	147.8	-93.5	-68.7	0	0	0	107
462	C	26.1	Very low	27.9	Very low	117 Å²	117	146.2 Å²	146.2	79%	0.791	80%	0.802	S	S	*	*			cis	-142.7	156.6	13.3	-80.3	0	0	0	0	106.8
463	G	25.8	Very low	28	Very low	64 Å²	64	146.2 Å²	146.2	66%	0.66	80%	0.804	S	S	*	*			cis	98.5	101.8	34	0	0	0	0	0	110.7
464	L	26.9	Very low	28	Very low	164 Å²	164	146.1 Å²	146.1	86%	0.859	81%	0.805	S	S	*	*			trans	78.7	112.3	160.3	-62.1	150.5	0	0	0	118.7
465	F	26.8	Very low	28.2	Very low	213 Å²	213	148.9 Å²	148.9	93%	0.934	81%	0.814	S	S	*	*				-166.2	118.2	113.1	-104.6	-76.1	0	0	0	110.2
466	H	28.4	Very low	28.4	Very low	175 Å²	175	146.6 Å²	146.6	81%	0.81	81%	0.814	S	S	*	*			trans	-120	147.6	167.8	-136.6	-56.2	0	0	0	106.3
467	L	30.2	Very low	28.4	Very low	162 Å²	162	148.7 Å²	148.7	85%	0.848	82%	0.821	S	S	*	*			trans	95.4	110.2	167.1	-69.7	128.5	0	0	0	119.1
468	S	28.5	Very low	28.5	Very low	93 Å²	93	151.4 Å²	151.4	65%	0.65	83%	0.831	S	S	*	*				154.8	126.6	124	-161.4	0	0	0	0	107
469	H	30.9	Very low	28.6	Very low	166 Å²	166	152.6 Å²	152.6	77%	0.769	83%	0.831	S	S	*	*				-159.9	137.2	56.6	-107.9	-71.3	0	0	0	111.4
470	A	30.2	Very low	28.8	Very low	99 Å²	99	147.4 Å²	147.4	82%	0.818	83%	0.833	S	S	*	*			trans	-90.5	133.9	142	0	0	0	0	0	107.8
471	S	38	Very low	29	Very low	182 Å²	182	148.4 Å²	148.4	100%	1.273	84%	0.843	S	S	*	*			trans	-170.4	0	151.6	58.2	0	0	0	0	108

Retrieved 471 of 471 residues in 201.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).