CATC_SCHMA Loading...

Cathepsin C

Thiol protease. Has a role as a digestive enzyme.

AlphaFold DB , UniProt , Accession Q26563, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 454 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	M	34.8	Very low	36.3	Very low	214 Å²	214	161 Å²	161	100%	1.054	80%	0.797	S	S	*	*				0	95.8	0	-129.3	162.7	76.5	0	0	107.1	W3	M1-W3 PolarHBondContact O-N 3.18Å
2	H	35	Very low	36.8	Very low	195 Å²	195	156.8 Å²	156.8	90%	0.903	78%	0.778	S	S	*	*			trans	-73.3	109.2	-175.1	-73	-82.2	0	0	0	110.3
3	W	32.3	Very low	37	Very low	221 Å²	221	152.6 Å²	152.6	84%	0.837	78%	0.784	S	S	*	*			trans	-141.8	57.2	175.9	-78.7	90.2	0	0	0	111.5	M1	M1-W3 PolarHBondContact O-N 3.18Å
4	V	38.9	Very low	37.1	Very low	129 Å²	129	149.6 Å²	149.6	78%	0.782	78%	0.782	S	S	*	*	S	Bend	trans	-152.8	87.7	157.6	-172.2	0	0	0	0	107.1
5	F	35.3	Very low	37.4	Very low	189 Å²	189	142.1 Å²	142.1	83%	0.829	74%	0.742	S	S	*	*			trans	178.3	57.2	157.3	-88.5	-59.8	0	0	0	108.9
6	H	31.7	Very low	38.1	Very low	179 Å²	179	146.9 Å²	146.9	83%	0.829	75%	0.747	S	S	*	*			trans	-138.8	65.2	171.3	-91	57.8	0	0	0	109.5
7	C	34.4	Very low	38.7	Very low	132 Å²	132	146.1 Å²	146.1	89%	0.892	74%	0.738	S	S	*	*	S	Bend	trans	-146.5	20.2	167.8	-96.2	0	0	0	0	114.7
8	I	38.9	Very low	39.2	Very low	162 Å²	162	139.2 Å²	139.2	83%	0.831	70%	0.704	S	S	*	*	S	Bend	trans	-106.2	11.2	176.5	-60.9	177.3	0	0	0	112.6
9	L	38.7	Very low	40	Very low	121 Å²	121	133.4 Å²	133.4	63%	0.634	68%	0.678	S	S	*	*			trans	-107.4	11.1	-159.9	-110.9	145.9	0	0	0	119.2
10	I	35.7	Very low	40.7	Very low	166 Å²	166	126.8 Å²	126.8	85%	0.851	64%	0.644	S	S	*	*	S	Bend	trans	-130.8	45.3	-173.6	-38.8	-177.8	0	0	0	116
11	I	43.4	Very low	41.6	Very low	63 Å²	63	120.8 Å²	120.8	32%	0.323	61%	0.614	S	S	.	*	S	Bend	trans	-120.5	-18.8	174.1	-60.6	-176.9	0	0	0	116	L15 I120	I11-L15 HydrophobicContact CG2-CD1 4.4Å; I11-L15 WeakPolarHBondContact O-CD1 3.34Å; I11-L15 WeakPolarHBondContact O-CG 3.42Å; I11-I120 HydrophobicContact CD1-CG2 3.96Å
12	L	42.7	Very low	43.5	Very low	110 Å²	110	110.6 Å²	110.6	58%	0.576	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-12.1	-171	-85.4	150.5	0	0	0	117.3	C14 L15	L12-C14 PolarHBondContact O-N 2.79Å; L12-L15 HydrophobicContact CD2-CD1 3.85Å; L12-L15 HydrophobicContact CG-CD1 4.31Å
13	A	39.1	Very low	45.5	Very low	103 Å²	103	101.4 Å²	101.4	85%	0.851	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.1	-170.8	0	0	0	0	0	115.6
14	C	37.9	Very low	48	Very low	111 Å²	111	90.9 Å²	90.9	75%	0.75	48%	0.481	S	S	*	.	S	Bend	trans	-135.5	19.5	-179.3	-70.9	0	0	0	0	114.6	L12 R16	L12-C14 PolarHBondContact O-N 2.79Å; C14-R16 PolarHBondContact O-N 2.67Å
15	L	43	Very low	50.1	Low	37 Å²	37	87.2 Å²	87.2	19%	0.194	46%	0.457	C	S	.	.			trans	-72.2	91.6	170.7	-71.1	164.1	0	0	0	109	I11 L12 W114 P282 F303	I11-L15 HydrophobicContact CG2-CD1 4.4Å; I11-L15 WeakPolarHBondContact O-CD1 3.34Å; I11-L15 WeakPolarHBondContact O-CG 3.42Å; L12-L15 HydrophobicContact CD2-CD1 3.85Å; L12-L15 HydrophobicContact CG-CD1 4.31Å; L15-W114 HydrophobicContact CD2-CH2 3.61Å; L15-W114 HydrophobicContact CD2-CZ2 3.3Å; L15-W114 HydrophobicContact CD2-CZ3 4.41Å; L15-W114 HydrophobicContact CG-CH2 4.38Å; L15-W114 HydrophobicContact CG-CZ2 4.33Å; L15-P282 HydrophobicContact CD2-CB 4.09Å; L15-P282 HydrophobicContact CD2-CG 4.21Å; L15-F303 HydrophobicContact CD1-CE1 4.42Å
16	R	48.2	Very low	52.6	Low	218 Å²	218	78.2 Å²	78.2	82%	0.823	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-84.1	135.3	161.7	-71.3	-166.4	-179.9	-162.1	1.6	108.6	C14 T18	C14-R16 PolarHBondContact O-N 2.67Å; R16-T18 PolarHBondContact O-N 3.04Å
17	F	47.5	Very low	55.2	Low	134 Å²	134	72 Å²	72	59%	0.588	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-51.4	126	-177.4	-59.1	-81	0	0	0	111.7	D279	F17-D279 WeakPolarHBondContact CE1-O 3.18Å; F17-D279 WeakPolarHBondContact CZ-O 3.26Å
18	T	49	Very low	57.7	Low	22 Å²	22	67.8 Å²	67.8	14%	0.135	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-93.8	142.3	168.6	79.2	0	0	0	0	108.3	R16 M113 P282	R16-T18 PolarHBondContact O-N 3.04Å; T18-M113 HydrophobicContact CG2-CE 4.35Å; T18-M113 HydrophobicContact CG2-SD 3.67Å; T18-P282 WeakPolarHBondContact CB-O 3.41Å; T18-P282 PolarHBondContact N-O 3.03Å; T18-P282 PolarHBondContact OG1-O 3.08Å
19	C	53.6	Low	60	Low	29 Å²	29	65.4 Å²	65.4	20%	0.196	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-78.9	127.7	176.5	-70	0	0	0	0	109.5	T22 Y99 E285	C19-T22 HydrophobicContact CB-CG2 3.89Å; C19-T22 WeakPolarHBondContact O-CG2 3.5Å; C19-Y99 HydrophobicContact CB-CE1 3.94Å; C19-Y99 HydrophobicContact CB-CE2 4.22Å; C19-Y99 VanDerWaalsContact CB-CZ 3.45Å; C19-Y99 WeakPolarHBondContact CB-OH 3.36Å; C19-Y99 PolarHBondContact SG-OH 3.28Å; C19-E285 VanDerWaalsContact C-OE1 3.23Å; C19-E285 WeakPolarHBondContact CA-OE1 3.34Å; C19-E285 VanDerWaalsContact CB-CD 3.47Å; C19-E285 HydrophobicContact CB-CG 3.98Å; C19-E285 WeakPolarHBondContact CB-OE1 3.27Å
20	A	54.1	Low	62.5	Low	1 Å²	1	61.8 Å²	61.8	1%	0.008	33%	0.325	C	S	.	.	S	Bend	trans	-100.5	-34.2	177.5	0	0	0	0	0	112.4	T22 Q82 Y283 E285 F291 L294	A20-T22 PolarHBondContact O-N 2.91Å; A20-Q82 WeakPolarHBondContact O-CB 3.23Å; A20-Q82 WeakPolarHBondContact O-CG 3.29Å; A20-Q82 PolarHBondContact O-OE1 3.48Å; A20-Y283 WeakPolarHBondContact CB-O 3.21Å; A20-E285 PolarHBondContact N-OE1 3.49Å; A20-F291 HydrophobicContact CB-CD2 4.45Å; A20-F291 VanDerWaalsContact O-CE2 3.26Å; A20-F291 WeakPolarHBondContact O-CE2 3.37Å; A20-L294 HydrophobicContact CB-CD1 3.98Å
21	D	60.3	Low	65.2	Low	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.284	C	S	.	.	S	Bend	trans	-99.5	71.8	174.7	-163.4	8.9	0	0	0	108.1	K193 S194 E285 F291	D21-K193 HydrophobicContact CB-CB 4.11Å; D21-K193 VanDerWaalsContact O-CB 3.24Å; D21-K193 WeakPolarHBondContact O-CB 3.29Å; D21-K193 WeakPolarHBondContact O-CD 3.33Å; D21-K193 VanDerWaalsContact OD1-C 3.27Å; D21-K193 WeakPolarHBondContact OD2-CB 3.38Å; D21-S194 PolarHBondContact OD1-N 2.81Å; D21-S194 WeakPolarHBondContact OD2-CB 3.02Å; D21-S194 PolarHBondContact OD2-N 2.71Å; D21-S194 PolarHBondContact OD2-OG 2.83Å; D21-E285 WeakPolarHBondContact CA-OE1 3.45Å; D21-E285 PolarHBondContact N-OE1 3.28Å; D21-E285 VanDerWaalsContact O-OE1 3.05Å; D21-F291 HydrophobicContact CB-CE2 4.43Å
22	T	74.7	Confident	67.6	Low	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.			trans	-85.4	165.4	-174.3	82.8	0	0	0	0	110.4	C19 A20 A24 Q82 I96 Y99	C19-T22 HydrophobicContact CB-CG2 3.89Å; C19-T22 WeakPolarHBondContact O-CG2 3.5Å; A20-T22 PolarHBondContact O-N 2.91Å; T22-A24 PolarHBondContact O-N 3.29Å; T22-A24 WeakPolarHBondContact OG1-CB 3.45Å; T22-A24 PolarHBondContact OG1-N 3.37Å; T22-Q82 VanDerWaalsContact CB-OE1 3.31Å; T22-Q82 PolarHBondContact O-NE2 2.7Å; T22-Q82 PolarHBondContact O-OE1 3.11Å; T22-Q82 VanDerWaalsContact O-OE1 3.09Å; T22-Q82 PolarHBondContact OG1-OE1 3Å; T22-I96 HydrophobicContact CG2-CG2 3.87Å; T22-Y99 HydrophobicContact CG2-CD1 3.68Å; T22-Y99 HydrophobicContact CG2-CE1 3.6Å; T22-Y99 HydrophobicContact CG2-CG 4.41Å
23	P	77.2	Confident	70.1	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	26%	0.263	C	S	.	.	S	Bend	trans	-63.7	-5.5	169.6	28	-37.1	0	0	0	113.9	N25 Y99 F105 N139 F142	P23-N25 PolarHBondContact O-N 3.47Å; P23-Y99 VanDerWaalsContact CD-CD2 3.49Å; P23-Y99 HydrophobicContact CG-CD2 3.82Å; P23-Y99 HydrophobicContact CG-CG 4Å; P23-F105 WeakPolarHBondContact O-CD1 3.42Å; P23-N139 HydrophobicContact CB-CB 4.16Å; P23-N139 WeakPolarHBondContact O-CB 3.48Å; P23-N139 PolarHBondContact O-ND2 2.93Å; P23-N139 VanDerWaalsContact O-ND2 3.08Å; P23-F142 HydrophobicContact CB-CB 4.29Å; P23-F142 HydrophobicContact CB-CD1 4.42Å; P23-F142 HydrophobicContact CB-CD2 3.54Å; P23-F142 HydrophobicContact CB-CE2 3.81Å; P23-F142 HydrophobicContact CB-CG 3.85Å; P23-F142 HydrophobicContact CB-CZ 4.38Å; P23-F142 HydrophobicContact CG-CD2 4.36Å; P23-F142 HydrophobicContact CG-CE2 4.16Å; P23-F142 HydrophobicContact CG-CZ 4.36Å
24	A	83.8	Confident	72.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.247	C	C	.	.			trans	-58.4	137.8	179.3	0	0	0	0	0	111.5	T22 Q82 F97 F105	T22-A24 PolarHBondContact O-N 3.29Å; T22-A24 WeakPolarHBondContact OG1-CB 3.45Å; T22-A24 PolarHBondContact OG1-N 3.37Å; A24-Q82 PolarHBondContact O-NE2 2.94Å; A24-F97 HydrophobicContact CB-CB 4Å; A24-F97 HydrophobicContact CB-CD2 4.48Å; A24-F105 HydrophobicContact CB-CB 4.16Å; A24-F105 HydrophobicContact CB-CD2 4.26Å; A24-F105 HydrophobicContact CB-CG 4.38Å
25	N	83.9	Confident	75.7	Confident	53 Å²	53	45.5 Å²	45.5	28%	0.283	21%	0.211	S	C	.	.			trans	-136.9	70.8	171.7	-175.8	19.8	0	0	0	108.5	P23 N81 F105 V196	P23-N25 PolarHBondContact O-N 3.47Å; N25-N81 PolarHBondContact OD1-ND2 3.43Å; N25-F105 HydrophobicContact CB-CE2 4.38Å; N25-F105 HydrophobicContact CB-CZ 4.01Å; N25-V196 HydrophobicContact CB-CG1 3.7Å; N25-V196 WeakPolarHBondContact ND2-CG1 3.47Å; N25-V196 VanDerWaalsContact OD1-CG1 3.26Å; N25-V196 WeakPolarHBondContact OD1-CG1 3.37Å
26	C	87.1	Confident	78.2	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.217	C	C	.	.			trans	-100.2	138.4	-174.9	-60.1	0	0	0	0	110.8	D30 N81 F97 C107	C26-D30 HydrophobicContact CB-CB 4.39Å; C26-N81 PolarHBondContact N-O 3.04Å; C26-N81 WeakPolarHBondContact O-CA 3.36Å; C26-N81 VanDerWaalsContact O-CB 3.3Å; C26-N81 WeakPolarHBondContact O-CB 3.4Å; C26-F97 HydrophobicContact CB-CD2 3.44Å; C26-F97 VanDerWaalsContact CB-CD2 3.44Å; C26-F97 HydrophobicContact CB-CE1 4.36Å; C26-F97 HydrophobicContact CB-CE2 3.3Å; C26-F97 HydrophobicContact CB-CG 4.09Å; C26-F97 HydrophobicContact CB-CZ 3.8Å; C26-F97 WeakPolarHBondContact SG-CD2 3.45Å; C26-F97 VanDerWaalsContact SG-CG 3.57Å; C26-C107 WeakPolarHBondContact CA-SG 3.24Å; C26-C107 HydrophobicContact CB-CB 3.67Å; C26-C107 WeakPolarHBondContact CB-SG 3.32Å; C26-C107 WeakPolarHBondContact SG-CA 3.2Å; C26-C107 WeakPolarHBondContact SG-CB 3.29Å; C26-C107 CovalentContact SG-SG 2.03Å; C26-C107 PolarHBondContact SG-SG 3.38Å
27	T	85.4	Confident	80.4	Confident	48 Å²	48	37 Å²	37	29%	0.294	18%	0.178	S	C	.	.			trans	-95.1	173.6	-178.9	69.5	0	0	0	0	111.8	E29 D30 A31 P199	T27-E29 VanDerWaalsContact C-N 3.27Å; T27-E29 PolarHBondContact O-N 3.4Å; T27-E29 PolarHBondContact OG1-N 3.16Å; T27-D30 WeakPolarHBondContact CB-OD2 3.23Å; T27-D30 PolarHBondContact N-OD2 2.7Å; T27-D30 PolarHBondContact O-N 3.11Å; T27-D30 VanDerWaalsContact OG1-CG 3.32Å; T27-D30 PolarHBondContact OG1-N 2.85Å; T27-D30 PolarHBondContact OG1-OD2 3.33Å; T27-A31 PolarHBondContact O-N 2.9Å; T27-A31 VanDerWaalsContact O-N 3.15Å; T27-P199 HydrophobicContact CG2-CB 4.05Å; T27-P199 HydrophobicContact CG2-CG 4.24Å
28	Y	87.3	Confident	82.5	Confident	43 Å²	43	31.4 Å²	31.4	17%	0.169	15%	0.154	C	C	.	.	H	α-helix	trans	-56.1	-42.9	172.3	176.6	-84.9	0	0	0	111.7	D30 A31 H32 Y62 P63 W76	Y28-D30 VanDerWaalsContact C-N 3.31Å; Y28-D30 PolarHBondContact O-N 2.95Å; Y28-A31 PolarHBondContact O-N 2.92Å; Y28-A31 VanDerWaalsContact O-N 3.16Å; Y28-H32 HydrophobicContact CD1-CB 4.22Å; Y28-H32 HydrophobicContact CE1-CB 3.66Å; Y28-H32 VanDerWaalsContact O-CB 3.26Å; Y28-H32 WeakPolarHBondContact O-CB 3.33Å; Y28-H32 PolarHBondContact O-N 3.27Å; Y28-H32 PolarHBondContact OH-CD2 2.86Å; Y28-Y62 AromaticContact CE1-CD2 3.81Å; Y28-Y62 HydrophobicContact CE1-CD2 3.81Å; Y28-Y62 HydrophobicContact CE2-CD2 4.28Å; Y28-Y62 AromaticContact CZ-CD2 3.68Å; Y28-Y62 WeakPolarHBondContact OH-CA 3.45Å; Y28-Y62 VanDerWaalsContact OH-CB 3.27Å; Y28-Y62 WeakPolarHBondContact OH-CB 3.36Å; Y28-Y62 PolarHBondContact OH-N 3.44Å; Y28-Y62 VanDerWaalsContact OH-N 3.12Å; Y28-P63 WeakPolarHBondContact CE2-O 3.1Å; Y28-W76 AromaticContact CD2-CH2 3.64Å; Y28-W76 HydrophobicContact CD2-CH2 3.64Å; Y28-W76 HydrophobicContact CD2-CZ2 4.01Å; Y28-W76 AromaticContact CE2-CH2 3.31Å; Y28-W76 HydrophobicContact CE2-CH2 3.31Å; Y28-W76 AromaticContact CE2-CZ2 3.18Å; Y28-W76 HydrophobicContact CE2-CZ2 3.18Å; Y28-W76 HydrophobicContact CE2-CZ3 4.46Å; Y28-W76 AromaticContact CZ-CH2 3.96Å; Y28-W76 AromaticContact CZ-CZ2 3.59Å; Y28-W76 WeakPolarHBondContact OH-CZ2 3.45Å
29	E	88.7	Confident	84.4	Confident	113 Å²	113	31.9 Å²	31.9	53%	0.528	16%	0.155	S	C	.	.	H	α-helix	trans	-67.2	-32.8	-179.6	-61.5	-55.9	153.9	0	0	112.6	T27 A31 K129	T27-E29 VanDerWaalsContact C-N 3.27Å; T27-E29 PolarHBondContact O-N 3.4Å; T27-E29 PolarHBondContact OG1-N 3.16Å; E29-A31 VanDerWaalsContact C-N 3.32Å; E29-K129 PolarHBondContact O-NZ 2.94Å
30	D	90.7	Very high	85.8	Confident	44 Å²	44	32 Å²	32	24%	0.235	16%	0.161	C	C	.	.	H	α-helix	trans	-67.6	-35.5	174.6	-58.5	-55.7	0	0	0	111.5	C26 T27 Y28 C107 K129	C26-D30 HydrophobicContact CB-CB 4.39Å; T27-D30 WeakPolarHBondContact CB-OD2 3.23Å; T27-D30 PolarHBondContact N-OD2 2.7Å; T27-D30 PolarHBondContact O-N 3.11Å; T27-D30 VanDerWaalsContact OG1-CG 3.32Å; T27-D30 PolarHBondContact OG1-N 2.85Å; T27-D30 PolarHBondContact OG1-OD2 3.33Å; Y28-D30 VanDerWaalsContact C-N 3.31Å; Y28-D30 PolarHBondContact O-N 2.95Å; D30-C107 HydrophobicContact CB-CB 3.57Å; D30-K129 WeakPolarHBondContact O-CD 3.48Å; D30-K129 PolarHBondContact O-NZ 2.8Å
31	A	92	Very high	87.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-82.6	-38.3	178.1	0	0	0	0	0	113.4	T27 Y28 E29 W35 W76 L78 F84 F97	T27-A31 PolarHBondContact O-N 2.9Å; T27-A31 VanDerWaalsContact O-N 3.15Å; Y28-A31 PolarHBondContact O-N 2.92Å; Y28-A31 VanDerWaalsContact O-N 3.16Å; E29-A31 VanDerWaalsContact C-N 3.32Å; A31-W35 PolarHBondContact O-NE1 3.31Å; A31-W76 HydrophobicContact CB-CH2 4.11Å; A31-W76 HydrophobicContact CB-CZ3 3.91Å; A31-L78 HydrophobicContact CB-CD2 3.67Å; A31-F84 HydrophobicContact CB-CD1 4.34Å; A31-F97 HydrophobicContact CB-CZ 4.03Å
32	H	92.9	Very high	88.2	Confident	62 Å²	62	40 Å²	40	29%	0.287	20%	0.202	S	C	.	.			trans	-58.4	137.3	-174.7	165.1	-102.8	0	0	0	112.7	Y28 L60 K129	Y28-H32 HydrophobicContact CD1-CB 4.22Å; Y28-H32 HydrophobicContact CE1-CB 3.66Å; Y28-H32 VanDerWaalsContact O-CB 3.26Å; Y28-H32 WeakPolarHBondContact O-CB 3.33Å; Y28-H32 PolarHBondContact O-N 3.27Å; Y28-H32 PolarHBondContact OH-CD2 2.86Å; H32-L60 PolarHBondContact CD2-O 3.13Å; H32-K129 WeakPolarHBondContact O-CE 3.38Å; H32-K129 PolarHBondContact O-NZ 3.04Å
33	G	96.3	Very high	88.1	Confident	17 Å²	17	48.1 Å²	48.1	18%	0.175	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	125.1	-160.9	178.2	0	0	0	0	0	113.7	L60	G33-L60 PolarHBondContact N-O 3.29Å; G33-L60 PolarHBondContact O-N 3.13Å
34	R	97.6	Very high	88	Confident	133 Å²	133	52 Å²	52	50%	0.502	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.4	-174.8	-63.9	-180	66.4	-166.7	1.5	111.2	V57 K129 I130	R34-V57 HydrophobicContact CB-CG1 4.5Å; R34-K129 WeakPolarHBondContact O-CA 3.35Å; R34-I130 HydrophobicContact CB-CB 4.12Å; R34-I130 HydrophobicContact CB-CD1 4.26Å; R34-I130 HydrophobicContact CB-CG1 4.49Å; R34-I130 PolarHBondContact O-N 3.13Å
35	W	96.9	Very high	87.7	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.7	177.1	-76.5	78.7	0	0	0	110.8	A31 F37 V57 I58 L60 F84 F97 C107 G128 K129	A31-W35 PolarHBondContact O-NE1 3.31Å; W35-F37 HydrophobicContact CB-CD2 4.22Å; W35-F37 HydrophobicContact CB-CE2 3.46Å; W35-F37 VanDerWaalsContact CB-CE2 3.46Å; W35-F37 HydrophobicContact CB-CZ 3.97Å; W35-V57 CarbonylContact O-C 3.5Å; W35-V57 VanDerWaalsContact O-CA 3.27Å; W35-V57 WeakPolarHBondContact O-CA 3.36Å; W35-I58 PolarHBondContact N-O 2.72Å; W35-I58 PolarHBondContact O-N 2.99Å; W35-L60 HydrophobicContact CG-CD1 4.37Å; W35-F84 HydrophobicContact CD2-CE1 4.29Å; W35-F84 AromaticContact CD2-CZ 3.79Å; W35-F84 HydrophobicContact CD2-CZ 3.79Å; W35-F84 AromaticContact CE2-CE1 3.88Å; W35-F84 AromaticContact CE2-CZ 3.8Å; W35-F84 HydrophobicContact CE3-CE1 4.45Å; W35-F84 AromaticContact CE3-CZ 3.99Å; W35-F84 HydrophobicContact CE3-CZ 3.99Å; W35-F84 HydrophobicContact CG-CZ 4.27Å; W35-F84 AromaticContact CH2-CE1 3.86Å; W35-F84 HydrophobicContact CH2-CE1 3.86Å; W35-F84 HydrophobicContact CH2-CZ 4.23Å; W35-F84 AromaticContact CZ2-CE1 3.67Å; W35-F84 HydrophobicContact CZ2-CE1 3.67Å; W35-F84 HydrophobicContact CZ2-CZ 4.04Å; W35-F84 HydrophobicContact CZ3-CE1 4.24Å; W35-F84 HydrophobicContact CZ3-CZ 4.21Å; W35-F97 HydrophobicContact CH2-CD1 4.36Å; W35-F97 HydrophobicContact CH2-CE1 4.04Å; W35-F97 HydrophobicContact CZ2-CE1 4.18Å; W35-C107 WeakPolarHBondContact CH2-O 3.42Å; W35-C107 WeakPolarHBondContact CZ2-O 3.44Å; W35-G128 VanDerWaalsContact CE3-C 3.48Å; W35-K129 HydrophobicContact CD2-CB 4.06Å; W35-K129 HydrophobicContact CD2-CG 4.49Å; W35-K129 HydrophobicContact CE3-CB 4.37Å; W35-K129 HydrophobicContact CH2-CB 4.3Å; W35-K129 HydrophobicContact CZ2-CB 3.97Å; W35-K129 HydrophobicContact CZ2-CD 4.22Å; W35-K129 HydrophobicContact CZ2-CG 4.37Å; W35-K129 HydrophobicContact CZ3-CB 4.48Å
36	K	95.1	Very high	87.8	Confident	76 Å²	76	59.2 Å²	59.2	33%	0.33	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.4	170	-165.8	169.5	-178.3	173.8	0	109.3	H38 S55 V57 S127 G128 I130	K36-H38 WeakPolarHBondContact CD-NE2 3.48Å; K36-H38 VanDerWaalsContact CE-CE1 3.5Å; K36-H38 WeakPolarHBondContact CE-CE1 3.46Å; K36-H38 WeakPolarHBondContact CG-NE2 3.2Å; K36-S55 VanDerWaalsContact CE-OG 3.25Å; K36-S55 WeakPolarHBondContact CE-OG 3.14Å; K36-V57 HydrophobicContact CB-CG2 4.36Å; K36-V57 HydrophobicContact CD-CG2 4.47Å; K36-V57 HydrophobicContact CG-CG2 4.08Å; K36-S127 VanDerWaalsContact O-CA 3.31Å; K36-S127 WeakPolarHBondContact O-CA 3.38Å; K36-G128 PolarHBondContact N-O 3Å; K36-G128 PolarHBondContact O-N 2.85Å; K36-I130 HydrophobicContact CB-CD1 3.97Å; K36-I130 HydrophobicContact CB-CG1 4.03Å
37	F	93.8	Very high	87.5	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.2	177.6	-61.5	-105	0	0	0	108.2	W35 S55 V56 I58 F84 V86 W93 V95 V125 S127	W35-F37 HydrophobicContact CB-CD2 4.22Å; W35-F37 HydrophobicContact CB-CE2 3.46Å; W35-F37 VanDerWaalsContact CB-CE2 3.46Å; W35-F37 HydrophobicContact CB-CZ 3.97Å; F37-S55 CarbonylContact O-C 3.55Å; F37-S55 WeakPolarHBondContact O-CA 3.46Å; F37-S55 WeakPolarHBondContact O-CB 3.21Å; F37-V56 HydrophobicContact CB-CG1 3.73Å; F37-V56 HydrophobicContact CD2-CG1 4.35Å; F37-V56 HydrophobicContact CG-CG1 4.31Å; F37-V56 PolarHBondContact N-O 2.84Å; F37-V56 PolarHBondContact O-N 2.93Å; F37-I58 HydrophobicContact CD2-CB 4.3Å; F37-I58 HydrophobicContact CD2-CD1 3.91Å; F37-I58 HydrophobicContact CD2-CG1 3.97Å; F37-I58 HydrophobicContact CE2-CB 3.76Å; F37-I58 HydrophobicContact CE2-CD1 3.74Å; F37-I58 HydrophobicContact CE2-CG1 3.86Å; F37-I58 HydrophobicContact CZ-CD1 4.21Å; F37-F84 HydrophobicContact CE1-CE2 4.39Å; F37-F84 HydrophobicContact CZ-CE2 4.06Å; F37-F84 HydrophobicContact CZ-CZ 4.47Å; F37-V86 HydrophobicContact CZ-CG2 4.19Å; F37-W93 HydrophobicContact CB-CE3 4.09Å; F37-W93 HydrophobicContact CB-CZ3 3.96Å; F37-W93 HydrophobicContact CD1-CB 4.21Å; F37-W93 HydrophobicContact CD1-CD2 4.2Å; F37-W93 AromaticContact CD1-CE3 3.75Å; F37-W93 HydrophobicContact CD1-CE3 3.75Å; F37-W93 HydrophobicContact CD1-CG 4.42Å; F37-W93 HydrophobicContact CD1-CZ3 4.48Å; F37-W93 HydrophobicContact CE1-CB 3.89Å; F37-W93 HydrophobicContact CE1-CG 4.38Å; F37-W93 HydrophobicContact CG-CE3 4.12Å; F37-W93 HydrophobicContact CG-CZ3 4.46Å; F37-V95 HydrophobicContact CD1-CG2 4.41Å; F37-V95 HydrophobicContact CE1-CG2 3.61Å; F37-V95 HydrophobicContact CZ-CG2 4.41Å; F37-V125 HydrophobicContact CB-CG2 3.89Å; F37-V125 HydrophobicContact CD1-CG2 4.05Å; F37-V125 HydrophobicContact CG-CG2 4.49Å; F37-S127 WeakPolarHBondContact CD1-OG 3.35Å
38	H	91.7	Very high	86.9	Confident	17 Å²	17	69.4 Å²	69.4	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	118	178.8	-68.2	-96	0	0	0	108.7	K36 Y42 L50 S52 V125 C126	K36-H38 WeakPolarHBondContact CD-NE2 3.48Å; K36-H38 VanDerWaalsContact CE-CE1 3.5Å; K36-H38 WeakPolarHBondContact CE-CE1 3.46Å; K36-H38 WeakPolarHBondContact CG-NE2 3.2Å; H38-Y42 VanDerWaalsContact O-CE2 3.32Å; H38-Y42 WeakPolarHBondContact O-CE2 3.45Å; H38-L50 HydrophobicContact CB-CB 4.33Å; H38-L50 HydrophobicContact CB-CD2 4.37Å; H38-L50 WeakPolarHBondContact CD2-CD1 3.47Å; H38-S52 PolarHBondContact ND1-OG 3.5Å; H38-V125 WeakPolarHBondContact O-CA 3.44Å; H38-V125 WeakPolarHBondContact O-CG2 3.36Å; H38-C126 WeakPolarHBondContact CB-O 3.41Å; H38-C126 PolarHBondContact N-O 3.4Å; H38-C126 PolarHBondContact O-N 2.97Å
39	I	88.5	Confident	86.1	Confident	32 Å²	32	75.1 Å²	75.1	16%	0.164	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.8	176.9	-51.1	173.8	0	0	0	108.2	Q54 W93	I39-Q54 PolarHBondContact N-O 2.63Å; I39-Q54 VanDerWaalsContact N-O 3.11Å; I39-W93 HydrophobicContact CD1-CH2 3.86Å; I39-W93 HydrophobicContact CD1-CZ3 4.16Å; I39-W93 HydrophobicContact CG1-CH2 4.17Å; I39-W93 HydrophobicContact CG1-CZ3 3.98Å
40	G	84.2	Confident	85.2	Confident	31 Å²	31	72.2 Å²	72.2	32%	0.32	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	-162.5	-179.4	0	0	0	0	0	112.7	S124	G40-S124 PolarHBondContact N-O 2.83Å; G40-S124 WeakPolarHBondContact O-CB 3.45Å; G40-S124 PolarHBondContact O-N 2.95Å; G40-S124 VanDerWaalsContact O-O 3.05Å
41	D	81.9	Confident	83.8	Confident	142 Å²	142	76.4 Å²	76.4	76%	0.759	39%	0.386	S	S	*	.			trans	-111.3	83.5	171.9	-175.8	10.4	0	0	0	108.1
42	Y	81.8	Confident	82.4	Confident	27 Å²	27	78.3 Å²	78.3	11%	0.106	40%	0.399	C	S	.	.			trans	-103.3	129.1	178.7	-48.3	-73.7	0	0	0	109.6	H38 P47 L50 S124 C126	H38-Y42 VanDerWaalsContact O-CE2 3.32Å; H38-Y42 WeakPolarHBondContact O-CE2 3.45Å; Y42-P47 HydrophobicContact CD1-CG 4.17Å; Y42-P47 HydrophobicContact CE1-CG 3.8Å; Y42-L50 HydrophobicContact CE1-CD2 4.36Å; Y42-S124 WeakPolarHBondContact CB-OG 3.37Å; Y42-S124 PolarHBondContact N-OG 3.47Å; Y42-S124 PolarHBondContact O-OG 3.44Å; Y42-C126 HydrophobicContact CD2-CB 4.02Å; Y42-C126 VanDerWaalsContact CD2-SG 3.6Å; Y42-C126 HydrophobicContact CE2-CB 3.87Å; Y42-C126 HydrophobicContact CG-CB 4.42Å; Y42-C126 VanDerWaalsContact CG-SG 3.52Å
43	Q	74.3	Confident	81.1	Confident	171 Å²	171	85.6 Å²	85.6	80%	0.799	43%	0.43	S	S	*	.			trans	-91.4	-83.1	-179.3	-64.5	-178	-1.4	0	0	111.6
44	S	73.6	Confident	80.5	Confident	84 Å²	84	91 Å²	91	59%	0.587	45%	0.451	S	S	*	.	S	Bend	trans	-109.9	-20	-169.5	59.1	0	0	0	0	114.6
45	K	79.2	Confident	80.2	Confident	167 Å²	167	87.1 Å²	87.1	73%	0.726	44%	0.444	S	S	*	.	S	Bend	trans	-143.6	144.3	180	-65.3	-175.5	-179.8	179.8	0	110.6	P112	K45-P112 VanDerWaalsContact C-CG 3.4Å
46	C	85.1	Confident	80	Confident	37 Å²	37	88.2 Å²	88.2	25%	0.25	45%	0.45	C	S	.	.			trans	-70.9	130.2	165.2	-64.2	0	0	0	0	108.8	L50 S110 C126	C46-L50 HydrophobicContact CB-CD2 4.47Å; C46-S110 PolarHBondContact SG-O 3.48Å; C46-S110 VanDerWaalsContact SG-O 3.34Å; C46-C126 WeakPolarHBondContact CA-SG 3.5Å; C46-C126 HydrophobicContact CB-CB 3.75Å; C46-C126 WeakPolarHBondContact CB-SG 3.44Å; C46-C126 WeakPolarHBondContact SG-CB 3.21Å; C46-C126 CovalentContact SG-SG 2.03Å; C46-C126 PolarHBondContact SG-SG 3.49Å
47	P	79.9	Confident	80.1	Confident	59 Å²	59	85 Å²	85	38%	0.383	44%	0.438	S	S	.	.			trans	-66.7	149.1	176.3	28.1	-33.5	0	0	0	110.2	Y42 K49 L50	Y42-P47 HydrophobicContact CD1-CG 4.17Å; Y42-P47 HydrophobicContact CE1-CG 3.8Å; P47-K49 PolarHBondContact O-N 2.77Å; P47-L50 HydrophobicContact CG-CD2 4.06Å
48	E	73	Confident	80.3	Confident	202 Å²	202	85.1 Å²	85.1	94%	0.944	44%	0.438	S	S	*	.	S	Bend	trans	-59.2	-37.1	177.1	-68	-174.5	167.8	0	0	112
49	K	71.1	Confident	80.6	Confident	164 Å²	164	85.8 Å²	85.8	71%	0.713	45%	0.445	S	S	*	.	S	Bend	trans	-105.6	106.1	171.1	-166.1	175.2	-177.1	178.1	0	109.3	P47 N51	P47-K49 PolarHBondContact O-N 2.77Å; K49-N51 VanDerWaalsContact C-N 3.34Å; K49-N51 PolarHBondContact O-N 2.92Å
50	L	69.3	Low	81	Confident	51 Å²	51	84.3 Å²	84.3	27%	0.267	44%	0.437	S	S	.	.			trans	-72.8	87.8	176.6	-64.2	164.4	0	0	0	109.4	H38 Y42 C46 P47 S52 C126	H38-L50 HydrophobicContact CB-CB 4.33Å; H38-L50 HydrophobicContact CB-CD2 4.37Å; H38-L50 WeakPolarHBondContact CD2-CD1 3.47Å; Y42-L50 HydrophobicContact CE1-CD2 4.36Å; C46-L50 HydrophobicContact CB-CD2 4.47Å; P47-L50 HydrophobicContact CG-CD2 4.06Å; L50-S52 PolarHBondContact O-N 3.16Å; L50-C126 HydrophobicContact CD2-CB 3.55Å
51	N	62.5	Low	81.6	Confident	132 Å²	132	85.9 Å²	85.9	71%	0.706	44%	0.438	S	S	*	.			trans	-78.8	107.3	165.2	-73.6	-13.3	0	0	0	107.4	K49	K49-N51 VanDerWaalsContact C-N 3.34Å; K49-N51 PolarHBondContact O-N 2.92Å
52	S	61.4	Low	81.9	Confident	41 Å²	41	83.8 Å²	83.8	29%	0.287	42%	0.42	S	S	.	.			trans	-121.9	141.4	179.8	59.7	0	0	0	0	111.4	H38 L50 Q54	H38-S52 PolarHBondContact ND1-OG 3.5Å; L50-S52 PolarHBondContact O-N 3.16Å; S52-Q54 VanDerWaalsContact C-N 3.26Å; S52-Q54 WeakPolarHBondContact CB-O 3.19Å; S52-Q54 PolarHBondContact OG-O 3.43Å
53	K	66.7	Low	82.3	Confident	215 Å²	215	83.4 Å²	83.4	94%	0.935	42%	0.421	S	S	*	.	S	Bend	trans	-69.3	-28.6	168.4	-69.1	-176.6	179.4	178.6	0	111.5
54	Q	84.2	Confident	83.2	Confident	130 Å²	130	76.9 Å²	76.9	61%	0.607	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	138.6	-178.3	-66.4	176.5	-8.4	0	0	110.2	I39 S52	I39-Q54 PolarHBondContact N-O 2.63Å; I39-Q54 VanDerWaalsContact N-O 3.11Å; S52-Q54 VanDerWaalsContact C-N 3.26Å; S52-Q54 WeakPolarHBondContact CB-O 3.19Å; S52-Q54 PolarHBondContact OG-O 3.43Å
55	S	90.5	Very high	84.4	Confident	52 Å²	52	75.8 Å²	75.8	36%	0.364	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.8	172.6	64.1	0	0	0	0	110.4	K36 F37	K36-S55 VanDerWaalsContact CE-OG 3.25Å; K36-S55 WeakPolarHBondContact CE-OG 3.14Å; F37-S55 CarbonylContact O-C 3.55Å; F37-S55 WeakPolarHBondContact O-CA 3.46Å; F37-S55 WeakPolarHBondContact O-CB 3.21Å
56	V	92.9	Very high	85.3	Confident	22 Å²	22	67.8 Å²	67.8	13%	0.133	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140	172.4	62.6	0	0	0	0	109.4	F37 I58 D68 W93	F37-V56 HydrophobicContact CB-CG1 3.73Å; F37-V56 HydrophobicContact CD2-CG1 4.35Å; F37-V56 HydrophobicContact CG-CG1 4.31Å; F37-V56 PolarHBondContact N-O 2.84Å; F37-V56 PolarHBondContact O-N 2.93Å; V56-I58 HydrophobicContact CG1-CD1 4.35Å; V56-I58 HydrophobicContact CG1-CG1 4.37Å; V56-I58 HydrophobicContact CG2-CG1 4.13Å; V56-D68 HydrophobicContact CG2-CB 4.38Å; V56-W93 HydrophobicContact CG1-CH2 3.5Å; V56-W93 HydrophobicContact CG1-CZ2 3.78Å; V56-W93 HydrophobicContact CG1-CZ3 4.05Å
57	V	96.2	Very high	85.9	Confident	10 Å²	10	67.9 Å²	67.9	6%	0.061	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	130.6	167.8	-179.5	0	0	0	0	109.5	R34 W35 K36 D68 E69 I130	R34-V57 HydrophobicContact CB-CG1 4.5Å; W35-V57 CarbonylContact O-C 3.5Å; W35-V57 VanDerWaalsContact O-CA 3.27Å; W35-V57 WeakPolarHBondContact O-CA 3.36Å; K36-V57 HydrophobicContact CB-CG2 4.36Å; K36-V57 HydrophobicContact CD-CG2 4.47Å; K36-V57 HydrophobicContact CG-CG2 4.08Å; V57-D68 WeakPolarHBondContact O-CA 3.45Å; V57-E69 VanDerWaalsContact CB-CD 3.45Å; V57-E69 HydrophobicContact CB-CG 3.65Å; V57-E69 HydrophobicContact CG2-CG 4.42Å; V57-E69 PolarHBondContact N-OE2 2.61Å; V57-E69 PolarHBondContact O-N 3.4Å; V57-I130 HydrophobicContact CB-CD1 4.32Å; V57-I130 HydrophobicContact CG1-CD1 3.53Å; V57-I130 HydrophobicContact CG2-CD1 3.81Å
58	I	97.9	Very high	86.7	Confident	1 Å²	1	66 Å²	66	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.2	175.2	-50.6	174.3	0	0	0	108.5	W35 F37 V56 L60 A66 I67 D68 V86 I88 W93	W35-I58 PolarHBondContact N-O 2.72Å; W35-I58 PolarHBondContact O-N 2.99Å; F37-I58 HydrophobicContact CD2-CB 4.3Å; F37-I58 HydrophobicContact CD2-CD1 3.91Å; F37-I58 HydrophobicContact CD2-CG1 3.97Å; F37-I58 HydrophobicContact CE2-CB 3.76Å; F37-I58 HydrophobicContact CE2-CD1 3.74Å; F37-I58 HydrophobicContact CE2-CG1 3.86Å; F37-I58 HydrophobicContact CZ-CD1 4.21Å; V56-I58 HydrophobicContact CG1-CD1 4.35Å; V56-I58 HydrophobicContact CG1-CG1 4.37Å; V56-I58 HydrophobicContact CG2-CG1 4.13Å; I58-L60 HydrophobicContact CG2-CD2 4.06Å; I58-A66 HydrophobicContact CG2-CB 3.93Å; I58-I67 CarbonylContact C-O 3.55Å; I58-I67 WeakPolarHBondContact CA-O 3.29Å; I58-D68 HydrophobicContact CG1-CB 4.5Å; I58-V86 HydrophobicContact CD1-CG1 4.22Å; I58-V86 HydrophobicContact CG2-CG1 4.23Å; I58-I88 HydrophobicContact CD1-CG2 4Å; I58-W93 HydrophobicContact CD1-CG 4.46Å
59	S	98.3	Very high	87.8	Confident	32 Å²	32	61.8 Å²	61.8	22%	0.224	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.7	172.4	-52.4	0	0	0	0	109	A66 I67	S59-A66 WeakPolarHBondContact O-CA 3.49Å; S59-I67 PolarHBondContact N-O 2.88Å; S59-I67 PolarHBondContact O-N 3.22Å
60	L	97.9	Very high	88.9	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	115.2	175.1	-52.3	-175.4	0	0	0	108.1	H32 G33 W35 I58 A66 W76 F84 V86	H32-L60 PolarHBondContact CD2-O 3.13Å; G33-L60 PolarHBondContact N-O 3.29Å; G33-L60 PolarHBondContact O-N 3.13Å; W35-L60 HydrophobicContact CG-CD1 4.37Å; I58-L60 HydrophobicContact CG2-CD2 4.06Å; L60-A66 HydrophobicContact CD2-CB 4.25Å; L60-W76 HydrophobicContact CB-CD2 3.97Å; L60-W76 HydrophobicContact CB-CG 4.29Å; L60-W76 HydrophobicContact CB-CH2 4.48Å; L60-W76 HydrophobicContact CB-CZ2 3.92Å; L60-W76 HydrophobicContact CD1-CD2 4.18Å; L60-W76 HydrophobicContact CD1-CE3 4.03Å; L60-W76 HydrophobicContact CD1-CZ3 4.31Å; L60-W76 HydrophobicContact CD2-CB 4.04Å; L60-W76 HydrophobicContact CD2-CD2 4.22Å; L60-W76 HydrophobicContact CD2-CG 3.87Å; L60-W76 HydrophobicContact CG-CD2 4.34Å; L60-W76 HydrophobicContact CG-CG 4.48Å; L60-F84 HydrophobicContact CD1-CD2 4.06Å; L60-F84 HydrophobicContact CD1-CE2 3.73Å; L60-F84 HydrophobicContact CD1-CZ 3.98Å; L60-V86 HydrophobicContact CD2-CG1 4.41Å; L60-V86 HydrophobicContact CD2-CG2 3.71Å
61	L	95.8	Very high	90.2	Very high	65 Å²	65	61.7 Å²	61.7	34%	0.34	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	156.6	-174.2	-56.8	177.7	0	0	0	110.8	P63 D64 I65 I67 W76	L61-P63 CarbonylContact O-C 3.38Å; L61-D64 PolarHBondContact O-N 2.69Å; L61-I65 HydrophobicContact CB-CB 4.24Å; L61-I65 PolarHBondContact N-O 2.85Å; L61-I65 PolarHBondContact O-N 3.41Å; L61-I65 VanDerWaalsContact O-N 3.09Å; L61-I67 HydrophobicContact CD1-CD1 3.6Å; L61-I67 HydrophobicContact CD1-CG1 4.12Å; L61-W76 PolarHBondContact O-NE1 3.41Å
62	Y	89.4	Confident	91.8	Very high	98 Å²	98	58.6 Å²	58.6	38%	0.384	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	142.5	-177.8	-178.1	-85.8	0	0	0	114.4	Y28 N203	Y28-Y62 AromaticContact CE1-CD2 3.81Å; Y28-Y62 HydrophobicContact CE1-CD2 3.81Å; Y28-Y62 HydrophobicContact CE2-CD2 4.28Å; Y28-Y62 AromaticContact CZ-CD2 3.68Å; Y28-Y62 WeakPolarHBondContact OH-CA 3.45Å; Y28-Y62 VanDerWaalsContact OH-CB 3.27Å; Y28-Y62 WeakPolarHBondContact OH-CB 3.36Å; Y28-Y62 PolarHBondContact OH-N 3.44Å; Y28-Y62 VanDerWaalsContact OH-N 3.12Å; Y62-N203 VanDerWaalsContact CE2-ND2 3.35Å; Y62-N203 WeakPolarHBondContact CE2-ND2 3.43Å; Y62-N203 WeakPolarHBondContact OH-CB 3.46Å; Y62-N203 PolarHBondContact OH-ND2 2.91Å; Y62-N203 PolarHBondContact OH-OD1 2.92Å
63	P	88.4	Confident	93.6	Very high	19 Å²	19	66 Å²	66	12%	0.123	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	cis	-85.1	-19.7	-13.2	31.1	-29.9	0	0	0	113.3	Y28 L61 Y341	Y28-P63 WeakPolarHBondContact CE2-O 3.1Å; L61-P63 CarbonylContact O-C 3.38Å; P63-Y341 HydrophobicContact CB-CD1 4.43Å; P63-Y341 HydrophobicContact CB-CD2 4.23Å; P63-Y341 HydrophobicContact CB-CE1 3.97Å; P63-Y341 HydrophobicContact CB-CE2 3.78Å; P63-Y341 HydrophobicContact CG-CD1 4.31Å; P63-Y341 HydrophobicContact CG-CE1 3.72Å; P63-Y341 HydrophobicContact CG-CE2 4.43Å
64	D	94.3	Very high	95	Very high	34 Å²	34	56.1 Å²	56.1	18%	0.182	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-152.3	16.6	-163.1	66.3	-25.7	0	0	0	112.9	L61 H75 W76 Y341	L61-D64 PolarHBondContact O-N 2.69Å; D64-H75 CarbonylContact O-C 3.59Å; D64-H75 WeakPolarHBondContact O-CA 3.26Å; D64-W76 VanDerWaalsContact CA-O 3.3Å; D64-W76 WeakPolarHBondContact CA-O 3.21Å; D64-W76 WeakPolarHBondContact CB-O 3.35Å; D64-W76 PolarHBondContact O-N 2.96Å; D64-Y341 HydrophobicContact CB-CD1 3.75Å; D64-Y341 HydrophobicContact CB-CG 3.88Å
65	I	97.6	Very high	95.6	Very high	60 Å²	60	55.6 Å²	55.6	31%	0.308	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.9	-176	-61.5	173.5	0	0	0	110.3	L61 I67 W76	L61-I65 HydrophobicContact CB-CB 4.24Å; L61-I65 PolarHBondContact N-O 2.85Å; L61-I65 PolarHBondContact O-N 3.41Å; L61-I65 VanDerWaalsContact O-N 3.09Å; I65-I67 HydrophobicContact CG2-CD1 4.27Å; I65-I67 HydrophobicContact CG2-CG1 3.93Å; I65-W76 VanDerWaalsContact C-CD1 3.44Å; I65-W76 PolarHBondContact O-NE1 3.35Å
66	A	98.3	Very high	95.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.4	171.6	0	0	0	0	0	110.6	I58 S59 L60 R73 G74 W76 V86	I58-A66 HydrophobicContact CG2-CB 3.93Å; S59-A66 WeakPolarHBondContact O-CA 3.49Å; L60-A66 HydrophobicContact CD2-CB 4.25Å; A66-R73 WeakPolarHBondContact O-CA 3.39Å; A66-G74 PolarHBondContact N-O 2.75Å; A66-G74 PolarHBondContact O-N 2.77Å; A66-W76 HydrophobicContact CB-CB 4.41Å; A66-V86 HydrophobicContact CB-CG1 3.55Å
67	I	98.2	Very high	95.9	Very high	39 Å²	39	53 Å²	53	20%	0.2	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.4	177.6	-52.4	-176	0	0	0	110	I58 S59 L61 I65 N72	I58-I67 CarbonylContact C-O 3.55Å; I58-I67 WeakPolarHBondContact CA-O 3.29Å; S59-I67 PolarHBondContact N-O 2.88Å; S59-I67 PolarHBondContact O-N 3.22Å; L61-I67 HydrophobicContact CD1-CD1 3.6Å; L61-I67 HydrophobicContact CD1-CG1 4.12Å; I65-I67 HydrophobicContact CG2-CD1 4.27Å; I65-I67 HydrophobicContact CG2-CG1 3.93Å; I67-N72 WeakPolarHBondContact CA-O 3.44Å
68	D	96.8	Very high	95.7	Very high	20 Å²	20	52.9 Å²	52.9	11%	0.107	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	178.5	175.1	72.2	11.9	0	0	0	113	V56 V57 I58 F70 G71 N72 I88	V56-D68 HydrophobicContact CG2-CB 4.38Å; V57-D68 WeakPolarHBondContact O-CA 3.45Å; I58-D68 HydrophobicContact CG1-CB 4.5Å; D68-F70 PolarHBondContact O-N 2.96Å; D68-F70 WeakPolarHBondContact OD1-CA 3.44Å; D68-F70 PolarHBondContact OD1-N 3Å; D68-G71 PolarHBondContact O-N 3.17Å; D68-G71 VanDerWaalsContact O-N 3.12Å; D68-G71 PolarHBondContact OD1-N 3.06Å; D68-G71 VanDerWaalsContact OD1-N 3.09Å; D68-N72 PolarHBondContact N-O 2.78Å; D68-N72 WeakPolarHBondContact OD1-CB 3.01Å; D68-N72 PolarHBondContact OD1-N 2.67Å; D68-N72 PolarHBondContact OD1-ND2 2.6Å; D68-N72 WeakPolarHBondContact OD2-CB 3.19Å; D68-N72 PolarHBondContact OD2-ND2 3.29Å; D68-I88 HydrophobicContact CB-CD1 3.73Å
69	E	95.1	Very high	95.3	Very high	112 Å²	112	52.9 Å²	52.9	52%	0.523	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.4	179.6	-68.5	174.6	111.7	0	0	114.3	V57	V57-E69 VanDerWaalsContact CB-CD 3.45Å; V57-E69 HydrophobicContact CB-CG 3.65Å; V57-E69 HydrophobicContact CG2-CG 4.42Å; V57-E69 PolarHBondContact N-OE2 2.61Å; V57-E69 PolarHBondContact O-N 3.4Å
70	F	95.2	Very high	94.7	Very high	167 Å²	167	51.5 Å²	51.5	73%	0.732	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-0.3	179	-54.6	-69.6	0	0	0	112.6	D68 N72	D68-F70 PolarHBondContact O-N 2.96Å; D68-F70 WeakPolarHBondContact OD1-CA 3.44Å; D68-F70 PolarHBondContact OD1-N 3Å; F70-N72 VanDerWaalsContact C-N 3.28Å
71	G	96	Very high	94	Very high	47 Å²	47	51.5 Å²	51.5	49%	0.485	25%	0.251	S	S	.	.			trans	79.1	9.6	-177.2	0	0	0	0	0	113.7	D68	D68-G71 PolarHBondContact O-N 3.17Å; D68-G71 VanDerWaalsContact O-N 3.12Å; D68-G71 PolarHBondContact OD1-N 3.06Å; D68-G71 VanDerWaalsContact OD1-N 3.09Å
72	N	97.4	Very high	93.6	Very high	66 Å²	66	48.5 Å²	48.5	35%	0.353	24%	0.235	S	C	.	.			trans	-63.4	143.4	170.7	-58.2	-55.1	0	0	0	108.5	I67 D68 F70 I88	I67-N72 WeakPolarHBondContact CA-O 3.44Å; D68-N72 PolarHBondContact N-O 2.78Å; D68-N72 WeakPolarHBondContact OD1-CB 3.01Å; D68-N72 PolarHBondContact OD1-N 2.67Å; D68-N72 PolarHBondContact OD1-ND2 2.6Å; D68-N72 WeakPolarHBondContact OD2-CB 3.19Å; D68-N72 PolarHBondContact OD2-ND2 3.29Å; F70-N72 VanDerWaalsContact C-N 3.28Å; N72-I88 HydrophobicContact CB-CD1 4.18Å; N72-I88 HydrophobicContact CB-CG1 4.24Å; N72-I88 VanDerWaalsContact O-CD1 3.27Å; N72-I88 WeakPolarHBondContact O-CD1 3.47Å
73	R	97.5	Very high	93.7	Very high	198 Å²	198	43.8 Å²	43.8	75%	0.747	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.8	179.7	-64.4	-174.9	177.4	-153.9	-0.8	109.8	A66	A66-R73 WeakPolarHBondContact O-CA 3.39Å
74	G	97	Very high	94	Very high	7 Å²	7	42.9 Å²	42.9	7%	0.072	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	-165.2	173.4	0	0	0	0	0	110.2	A66 T87	A66-G74 PolarHBondContact N-O 2.75Å; A66-G74 PolarHBondContact O-N 2.77Å; G74-T87 CarbonylContact C-O 3.57Å; G74-T87 WeakPolarHBondContact CA-O 3.43Å
75	H	96.8	Very high	94.1	Very high	118 Å²	118	41.7 Å²	41.7	55%	0.546	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	156.4	-179.4	-59.6	-79.3	0	0	0	111.2	D64 V86 T87	D64-H75 CarbonylContact O-C 3.59Å; D64-H75 WeakPolarHBondContact O-CA 3.26Å; H75-V86 CarbonylContact O-C 3.55Å; H75-V86 WeakPolarHBondContact O-CA 3.24Å; H75-T87 PolarHBondContact N-O 3.39Å; H75-T87 PolarHBondContact O-N 3.38Å
76	W	96.7	Very high	94	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.023	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	156.8	168.4	75.6	-73.1	0	0	0	111.2	Y28 A31 L60 L61 D64 I65 A66 L78 F84 E85 V86	Y28-W76 AromaticContact CD2-CH2 3.64Å; Y28-W76 HydrophobicContact CD2-CH2 3.64Å; Y28-W76 HydrophobicContact CD2-CZ2 4.01Å; Y28-W76 AromaticContact CE2-CH2 3.31Å; Y28-W76 HydrophobicContact CE2-CH2 3.31Å; Y28-W76 AromaticContact CE2-CZ2 3.18Å; Y28-W76 HydrophobicContact CE2-CZ2 3.18Å; Y28-W76 HydrophobicContact CE2-CZ3 4.46Å; Y28-W76 AromaticContact CZ-CH2 3.96Å; Y28-W76 AromaticContact CZ-CZ2 3.59Å; Y28-W76 WeakPolarHBondContact OH-CZ2 3.45Å; A31-W76 HydrophobicContact CB-CH2 4.11Å; A31-W76 HydrophobicContact CB-CZ3 3.91Å; L60-W76 HydrophobicContact CB-CD2 3.97Å; L60-W76 HydrophobicContact CB-CG 4.29Å; L60-W76 HydrophobicContact CB-CH2 4.48Å; L60-W76 HydrophobicContact CB-CZ2 3.92Å; L60-W76 HydrophobicContact CD1-CD2 4.18Å; L60-W76 HydrophobicContact CD1-CE3 4.03Å; L60-W76 HydrophobicContact CD1-CZ3 4.31Å; L60-W76 HydrophobicContact CD2-CB 4.04Å; L60-W76 HydrophobicContact CD2-CD2 4.22Å; L60-W76 HydrophobicContact CD2-CG 3.87Å; L60-W76 HydrophobicContact CG-CD2 4.34Å; L60-W76 HydrophobicContact CG-CG 4.48Å; L61-W76 PolarHBondContact O-NE1 3.41Å; D64-W76 VanDerWaalsContact CA-O 3.3Å; D64-W76 WeakPolarHBondContact CA-O 3.21Å; D64-W76 WeakPolarHBondContact CB-O 3.35Å; D64-W76 PolarHBondContact O-N 2.96Å; I65-W76 VanDerWaalsContact C-CD1 3.44Å; I65-W76 PolarHBondContact O-NE1 3.35Å; A66-W76 HydrophobicContact CB-CB 4.41Å; W76-L78 HydrophobicContact CZ3-CD2 4.18Å; W76-L78 HydrophobicContact CZ3-CG 4.17Å; W76-F84 HydrophobicContact CE3-CB 4.16Å; W76-F84 HydrophobicContact CZ3-CB 4.41Å; W76-E85 CarbonylContact C-O 3.56Å; W76-E85 WeakPolarHBondContact CA-O 3.05Å; W76-E85 WeakPolarHBondContact CB-O 3.29Å; W76-V86 HydrophobicContact CB-CB 4.38Å; W76-V86 HydrophobicContact CB-CG1 4.38Å; W76-V86 HydrophobicContact CB-CG2 4.02Å
77	T	94.1	Very high	93.9	Very high	13 Å²	13	41.2 Å²	41.2	8%	0.08	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	143.8	173.4	-179.3	0	0	0	0	109.9	F84 E85 F293 Y337 Y342	T77-F84 CarbonylContact O-C 3.55Å; T77-F84 WeakPolarHBondContact O-CA 3.41Å; T77-F84 WeakPolarHBondContact O-CB 3.39Å; T77-E85 PolarHBondContact N-O 3.5Å; T77-E85 PolarHBondContact O-N 3.13Å; T77-F293 HydrophobicContact CG2-CE2 3.99Å; T77-F293 HydrophobicContact CG2-CZ 3.69Å; T77-Y337 HydrophobicContact CG2-CD2 4.34Å; T77-Y337 HydrophobicContact CG2-CE2 4.46Å; T77-Y337 WeakPolarHBondContact OG1-CD2 3.49Å; T77-Y342 PolarHBondContact OG1-N 3.45Å
78	L	91.9	Very high	93.7	Very high	9 Å²	9	39.8 Å²	39.8	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	149.6	160.8	-74.7	177.9	0	0	0	110.1	A31 W76 F84 F97 Y337 Y342	A31-L78 HydrophobicContact CB-CD2 3.67Å; W76-L78 HydrophobicContact CZ3-CD2 4.18Å; W76-L78 HydrophobicContact CZ3-CG 4.17Å; L78-F84 HydrophobicContact CD2-CB 4.32Å; L78-F97 HydrophobicContact CD2-CZ 4.42Å; L78-Y337 VanDerWaalsContact O-CE2 3.26Å; L78-Y337 WeakPolarHBondContact O-CE2 3.42Å; L78-Y342 HydrophobicContact CB-CD1 3.94Å; L78-Y342 HydrophobicContact CB-CG 4.17Å; L78-Y342 HydrophobicContact CD1-CD1 3.98Å; L78-Y342 HydrophobicContact CD1-CE1 4.42Å; L78-Y342 WeakPolarHBondContact O-CB 3.26Å
79	I	89.8	Confident	93.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	92.5	166.3	-58.6	169.1	0	0	0	105.4	N81 Q82 G83 E85 L94 F293 L294	I79-N81 PolarHBondContact O-N 3.13Å; I79-N81 VanDerWaalsContact O-N 3.12Å; I79-Q82 PolarHBondContact O-N 3.47Å; I79-G83 PolarHBondContact N-O 3.3Å; I79-G83 PolarHBondContact O-N 2.79Å; I79-E85 HydrophobicContact CD1-CB 4.25Å; I79-L94 HydrophobicContact CD1-CD1 3.32Å; I79-F293 HydrophobicContact CD1-CD1 4.11Å; I79-F293 HydrophobicContact CD1-CE1 3.98Å; I79-F293 HydrophobicContact CG1-CD1 3.81Å; I79-F293 HydrophobicContact CG1-CE1 3.79Å; I79-F293 HydrophobicContact CG2-CD1 4.29Å; I79-L294 HydrophobicContact CD1-CD2 3.84Å; I79-L294 HydrophobicContact CD1-CG 4.45Å; I79-L294 HydrophobicContact CG2-CD1 4.17Å; I79-L294 HydrophobicContact CG2-CG 4.08Å
80	Y	84.5	Confident	93	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.016	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-117	-169.8	-171.7	-127.6	0	0	0	110.9	Q82 V196 R198 F291 Y342 N397 L446	Y80-Q82 HydrophobicContact CD1-CG 4.37Å; Y80-V196 PolarHBondContact OH-O 2.79Å; Y80-R198 HydrophobicContact CE2-CG 4.06Å; Y80-F291 AromaticContact CD1-CE1 3.49Å; Y80-F291 HydrophobicContact CD1-CE1 3.49Å; Y80-F291 VanDerWaalsContact CD1-CE1 3.49Å; Y80-F291 AromaticContact CD1-CZ 3.7Å; Y80-F291 HydrophobicContact CD1-CZ 3.7Å; Y80-F291 HydrophobicContact CE1-CE1 4.42Å; Y80-F291 AromaticContact CG-CE1 3.73Å; Y80-F291 HydrophobicContact CG-CE1 3.73Å; Y80-F291 HydrophobicContact CG-CZ 4.32Å; Y80-Y342 AromaticContact CD2-CE2 3.95Å; Y80-Y342 HydrophobicContact CD2-CE2 3.95Å; Y80-N397 PolarHBondContact OH-ND2 2.95Å; Y80-N397 VanDerWaalsContact OH-ND2 3.14Å; Y80-L446 HydrophobicContact CD2-CD1 4.2Å
81	N	84	Confident	92.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	15.8	174.1	63.4	-4.4	0	0	0	112.9	N25 C26 I79 V196 P199	N25-N81 PolarHBondContact OD1-ND2 3.43Å; C26-N81 PolarHBondContact N-O 3.04Å; C26-N81 WeakPolarHBondContact O-CA 3.36Å; C26-N81 VanDerWaalsContact O-CB 3.3Å; C26-N81 WeakPolarHBondContact O-CB 3.4Å; I79-N81 PolarHBondContact O-N 3.13Å; I79-N81 VanDerWaalsContact O-N 3.12Å; N81-V196 WeakPolarHBondContact ND2-CG1 3.26Å; N81-P199 HydrophobicContact CB-CG 4.36Å
82	Q	86.3	Confident	92.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-26.3	-168.7	-60.3	-60.8	-35.1	0	0	113.3	A20 T22 A24 I79 Y80 F97 F291	A20-Q82 WeakPolarHBondContact O-CB 3.23Å; A20-Q82 WeakPolarHBondContact O-CG 3.29Å; A20-Q82 PolarHBondContact O-OE1 3.48Å; T22-Q82 VanDerWaalsContact CB-OE1 3.31Å; T22-Q82 PolarHBondContact O-NE2 2.7Å; T22-Q82 PolarHBondContact O-OE1 3.11Å; T22-Q82 VanDerWaalsContact O-OE1 3.09Å; T22-Q82 PolarHBondContact OG1-OE1 3Å; A24-Q82 PolarHBondContact O-NE2 2.94Å; I79-Q82 PolarHBondContact O-N 3.47Å; Y80-Q82 HydrophobicContact CD1-CG 4.37Å; Q82-F97 WeakPolarHBondContact O-CD2 3.4Å; Q82-F97 PolarHBondContact O-N 2.84Å; Q82-F291 HydrophobicContact CB-CE2 4.44Å; Q82-F291 HydrophobicContact CG-CE2 3.59Å; Q82-F291 HydrophobicContact CG-CZ 3.62Å
83	G	92.1	Very high	92.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	-163.9	-174.6	0	0	0	0	0	111.7	I79 V95 F97	I79-G83 PolarHBondContact N-O 3.3Å; I79-G83 PolarHBondContact O-N 2.79Å; G83-V95 CarbonylContact C-O 3.5Å; G83-V95 WeakPolarHBondContact CA-O 3.15Å; G83-F97 VanDerWaalsContact CA-CE2 3.46Å
84	F	94.4	Very high	92.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	159.7	171.7	59.2	-92.7	0	0	0	110.6	A31 W35 F37 L60 W76 T77 L78 V86 V95 F97	A31-F84 HydrophobicContact CB-CD1 4.34Å; W35-F84 HydrophobicContact CD2-CE1 4.29Å; W35-F84 AromaticContact CD2-CZ 3.79Å; W35-F84 HydrophobicContact CD2-CZ 3.79Å; W35-F84 AromaticContact CE2-CE1 3.88Å; W35-F84 AromaticContact CE2-CZ 3.8Å; W35-F84 HydrophobicContact CE3-CE1 4.45Å; W35-F84 AromaticContact CE3-CZ 3.99Å; W35-F84 HydrophobicContact CE3-CZ 3.99Å; W35-F84 HydrophobicContact CG-CZ 4.27Å; W35-F84 AromaticContact CH2-CE1 3.86Å; W35-F84 HydrophobicContact CH2-CE1 3.86Å; W35-F84 HydrophobicContact CH2-CZ 4.23Å; W35-F84 AromaticContact CZ2-CE1 3.67Å; W35-F84 HydrophobicContact CZ2-CE1 3.67Å; W35-F84 HydrophobicContact CZ2-CZ 4.04Å; W35-F84 HydrophobicContact CZ3-CE1 4.24Å; W35-F84 HydrophobicContact CZ3-CZ 4.21Å; F37-F84 HydrophobicContact CE1-CE2 4.39Å; F37-F84 HydrophobicContact CZ-CE2 4.06Å; F37-F84 HydrophobicContact CZ-CZ 4.47Å; L60-F84 HydrophobicContact CD1-CD2 4.06Å; L60-F84 HydrophobicContact CD1-CE2 3.73Å; L60-F84 HydrophobicContact CD1-CZ 3.98Å; W76-F84 HydrophobicContact CE3-CB 4.16Å; W76-F84 HydrophobicContact CZ3-CB 4.41Å; T77-F84 CarbonylContact O-C 3.55Å; T77-F84 WeakPolarHBondContact O-CA 3.41Å; T77-F84 WeakPolarHBondContact O-CB 3.39Å; L78-F84 HydrophobicContact CD2-CB 4.32Å; F84-V86 HydrophobicContact CD2-CG2 3.75Å; F84-V86 HydrophobicContact CE2-CG2 3.75Å; F84-V95 HydrophobicContact CD1-CB 4Å; F84-V95 HydrophobicContact CD1-CG1 3.95Å; F84-V95 HydrophobicContact CD2-CB 3.96Å; F84-V95 HydrophobicContact CD2-CG2 4.17Å; F84-V95 HydrophobicContact CE1-CB 3.72Å; F84-V95 HydrophobicContact CE1-CG1 3.37Å; F84-V95 HydrophobicContact CE1-CG2 4.27Å; F84-V95 HydrophobicContact CE2-CB 3.66Å; F84-V95 HydrophobicContact CE2-CG1 4.18Å; F84-V95 HydrophobicContact CE2-CG2 3.5Å; F84-V95 HydrophobicContact CG-CB 4.13Å; F84-V95 HydrophobicContact CZ-CB 3.55Å; F84-V95 HydrophobicContact CZ-CG1 3.52Å; F84-V95 HydrophobicContact CZ-CG2 3.57Å; F84-V95 PolarHBondContact N-O 3.49Å; F84-V95 PolarHBondContact O-N 2.86Å; F84-F97 AromaticContact CD1-CE1 3.88Å; F84-F97 HydrophobicContact CD1-CE1 3.88Å; F84-F97 AromaticContact CD1-CZ 3.72Å; F84-F97 HydrophobicContact CD1-CZ 3.72Å; F84-F97 AromaticContact CE1-CE1 3.83Å; F84-F97 HydrophobicContact CE1-CE1 3.83Å; F84-F97 HydrophobicContact CE1-CZ 4.15Å
85	E	95.9	Very high	92.2	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.037	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.5	169.6	-175.1	170.6	81.3	0	0	109.6	W76 T77 I79 W93 F293 Y335	W76-E85 CarbonylContact C-O 3.56Å; W76-E85 WeakPolarHBondContact CA-O 3.05Å; W76-E85 WeakPolarHBondContact CB-O 3.29Å; T77-E85 PolarHBondContact N-O 3.5Å; T77-E85 PolarHBondContact O-N 3.13Å; I79-E85 HydrophobicContact CD1-CB 4.25Å; E85-W93 WeakPolarHBondContact CA-O 3.49Å; E85-F293 HydrophobicContact CB-CE1 4.39Å; E85-Y335 VanDerWaalsContact OE1-CE2 3.27Å; E85-Y335 WeakPolarHBondContact OE1-CE2 3.44Å; E85-Y335 PolarHBondContact OE1-OH 3.29Å; E85-Y335 PolarHBondContact OE2-OH 3.21Å
86	V	96.8	Very high	92	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	132	171.8	-172.1	0	0	0	0	108.6	F37 I58 L60 A66 H75 W76 F84 I88 K92 W93	F37-V86 HydrophobicContact CZ-CG2 4.19Å; I58-V86 HydrophobicContact CD1-CG1 4.22Å; I58-V86 HydrophobicContact CG2-CG1 4.23Å; L60-V86 HydrophobicContact CD2-CG1 4.41Å; L60-V86 HydrophobicContact CD2-CG2 3.71Å; A66-V86 HydrophobicContact CB-CG1 3.55Å; H75-V86 CarbonylContact O-C 3.55Å; H75-V86 WeakPolarHBondContact O-CA 3.24Å; W76-V86 HydrophobicContact CB-CB 4.38Å; W76-V86 HydrophobicContact CB-CG1 4.38Å; W76-V86 HydrophobicContact CB-CG2 4.02Å; F84-V86 HydrophobicContact CD2-CG2 3.75Å; F84-V86 HydrophobicContact CE2-CG2 3.75Å; V86-I88 HydrophobicContact CG1-CG2 4.32Å; V86-K92 CarbonylContact O-C 3.52Å; V86-K92 VanDerWaalsContact O-CA 3.29Å; V86-K92 WeakPolarHBondContact O-CA 3.3Å; V86-W93 HydrophobicContact CB-CB 4.11Å; V86-W93 HydrophobicContact CB-CG 4.43Å; V86-W93 PolarHBondContact N-O 2.79Å; V86-W93 PolarHBondContact O-N 3.46Å
87	T	95.1	Very high	91.8	Very high	51 Å²	51	20.8 Å²	20.8	31%	0.313	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	114.7	170.2	-60.5	0	0	0	0	109	G74 H75 R91 K92	G74-T87 CarbonylContact C-O 3.57Å; G74-T87 WeakPolarHBondContact CA-O 3.43Å; H75-T87 PolarHBondContact N-O 3.39Å; H75-T87 PolarHBondContact O-N 3.38Å; T87-R91 WeakPolarHBondContact CA-O 3.34Å; T87-K92 HydrophobicContact CG2-CG 4.36Å
88	I	94.6	Very high	91.7	Very high	8 Å²	8	20.7 Å²	20.7	4%	0.041	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	136.2	178.2	-174.3	159.6	0	0	0	109.6	I58 D68 N72 V86 H90 R91	I58-I88 HydrophobicContact CD1-CG2 4Å; D68-I88 HydrophobicContact CB-CD1 3.73Å; N72-I88 HydrophobicContact CB-CD1 4.18Å; N72-I88 HydrophobicContact CB-CG1 4.24Å; N72-I88 VanDerWaalsContact O-CD1 3.27Å; N72-I88 WeakPolarHBondContact O-CD1 3.47Å; V86-I88 HydrophobicContact CG1-CG2 4.32Å; I88-H90 VanDerWaalsContact C-N 3.33Å; I88-H90 PolarHBondContact O-N 3.06Å; I88-R91 PolarHBondContact N-O 2.94Å; I88-R91 PolarHBondContact O-N 2.86Å
89	N	90.1	Very high	91.6	Very high	114 Å²	114	22.5 Å²	22.5	61%	0.61	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	50.2	179.8	-166.5	28.3	0	0	0	113.5	R91	N89-R91 PolarHBondContact O-N 3.23Å
90	H	88.1	Confident	91.4	Very high	136 Å²	136	26.8 Å²	26.8	63%	0.63	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	16.5	-178.4	-53.5	-77.3	0	0	0	115.7	I88 D117 T118	I88-H90 VanDerWaalsContact C-N 3.33Å; I88-H90 PolarHBondContact O-N 3.06Å; H90-D117 VanDerWaalsContact O-CA 3.27Å; H90-D117 WeakPolarHBondContact O-CA 3.39Å; H90-D117 WeakPolarHBondContact O-CB 3.22Å; H90-T118 HydrophobicContact CB-CG2 4.1Å; H90-T118 PolarHBondContact O-N 2.98Å
91	R	91.2	Very high	91.3	Very high	44 Å²	44	32.2 Å²	32.2	17%	0.166	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.2	174.8	-176.5	163.6	-77.1	-140	-1.3	111.2	T87 I88 N89 W93 T115 D117 D121	T87-R91 WeakPolarHBondContact CA-O 3.34Å; I88-R91 PolarHBondContact N-O 2.94Å; I88-R91 PolarHBondContact O-N 2.86Å; N89-R91 PolarHBondContact O-N 3.23Å; R91-W93 VanDerWaalsContact CD-CZ2 3.49Å; R91-W93 HydrophobicContact CG-CZ2 4Å; R91-T115 WeakPolarHBondContact CD-OG1 3.29Å; R91-T115 WeakPolarHBondContact CG-OG1 3.43Å; R91-D117 HydrophobicContact CB-CB 4.29Å; R91-D117 IonicContact CZ-OD2 3.97Å; R91-D117 IonicContact NE-OD2 2.81Å; R91-D117 IonicContact NH2-OD2 3.87Å; R91-D117 PolarHBondContact NH2-OD2 2.87Å; R91-D121 IonicContact CZ-OD2 3.62Å; R91-D121 IonicContact NH2-OD2 2.81Å; R91-D121 PolarHBondContact NH2-OD2 2.76Å
92	K	93.5	Very high	91.2	Very high	29 Å²	29	36.5 Å²	36.5	13%	0.126	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.2	175.1	-64.5	-171.4	177.2	177.2	0	110.5	V86 T87 T115 H116 E301 Y335	V86-K92 CarbonylContact O-C 3.52Å; V86-K92 VanDerWaalsContact O-CA 3.29Å; V86-K92 WeakPolarHBondContact O-CA 3.3Å; T87-K92 HydrophobicContact CG2-CG 4.36Å; K92-T115 VanDerWaalsContact O-CA 3.24Å; K92-T115 WeakPolarHBondContact O-CA 3.38Å; K92-T115 WeakPolarHBondContact O-CB 3.26Å; K92-T115 PolarHBondContact O-OG1 3.23Å; K92-H116 PolarHBondContact N-O 3.04Å; K92-H116 PolarHBondContact O-N 3.49Å; K92-E301 IonicContact NZ-OE1 3.04Å; K92-E301 PolarHBondContact NZ-OE1 3.4Å; K92-E301 IonicContact NZ-OE2 3.69Å; K92-E301 PolarHBondContact NZ-OE2 2.97Å; K92-Y335 WeakPolarHBondContact CD-OH 3.41Å; K92-Y335 VanDerWaalsContact NZ-CZ 3.27Å; K92-Y335 PolarHBondContact NZ-OH 2.63Å; K92-Y335 VanDerWaalsContact NZ-OH 3.11Å
93	W	93.9	Very high	91	Very high	14 Å²	14	36.4 Å²	36.4	5%	0.053	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	103.5	178.1	-49.9	81.4	0	0	0	107.8	F37 I39 V56 I58 E85 V86 R91 T115 V125	F37-W93 HydrophobicContact CB-CE3 4.09Å; F37-W93 HydrophobicContact CB-CZ3 3.96Å; F37-W93 HydrophobicContact CD1-CB 4.21Å; F37-W93 HydrophobicContact CD1-CD2 4.2Å; F37-W93 AromaticContact CD1-CE3 3.75Å; F37-W93 HydrophobicContact CD1-CE3 3.75Å; F37-W93 HydrophobicContact CD1-CG 4.42Å; F37-W93 HydrophobicContact CD1-CZ3 4.48Å; F37-W93 HydrophobicContact CE1-CB 3.89Å; F37-W93 HydrophobicContact CE1-CG 4.38Å; F37-W93 HydrophobicContact CG-CE3 4.12Å; F37-W93 HydrophobicContact CG-CZ3 4.46Å; I39-W93 HydrophobicContact CD1-CH2 3.86Å; I39-W93 HydrophobicContact CD1-CZ3 4.16Å; I39-W93 HydrophobicContact CG1-CH2 4.17Å; I39-W93 HydrophobicContact CG1-CZ3 3.98Å; V56-W93 HydrophobicContact CG1-CH2 3.5Å; V56-W93 HydrophobicContact CG1-CZ2 3.78Å; V56-W93 HydrophobicContact CG1-CZ3 4.05Å; I58-W93 HydrophobicContact CD1-CG 4.46Å; E85-W93 WeakPolarHBondContact CA-O 3.49Å; V86-W93 HydrophobicContact CB-CB 4.11Å; V86-W93 HydrophobicContact CB-CG 4.43Å; V86-W93 PolarHBondContact N-O 2.79Å; V86-W93 PolarHBondContact O-N 3.46Å; R91-W93 VanDerWaalsContact CD-CZ2 3.49Å; R91-W93 HydrophobicContact CG-CZ2 4Å; W93-T115 HydrophobicContact CE3-CG2 4.11Å; W93-T115 HydrophobicContact CZ3-CG2 3.94Å; W93-V125 HydrophobicContact CE3-CG2 4.08Å; W93-V125 HydrophobicContact CZ3-CG2 4.14Å
94	L	93.6	Very high	90.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.3	173.1	178.7	57.3	0	0	0	109.1	I79 I96 M113 W114 Y283 L294 K298	I79-L94 HydrophobicContact CD1-CD1 3.32Å; L94-I96 HydrophobicContact CD1-CD1 4.27Å; L94-M113 HydrophobicContact CB-CE 4.37Å; L94-M113 HydrophobicContact CD2-CE 3.26Å; L94-M113 HydrophobicContact CG-CE 3.67Å; L94-M113 WeakPolarHBondContact O-CB 3.32Å; L94-W114 PolarHBondContact N-O 2.76Å; L94-Y283 HydrophobicContact CD2-CD1 3.86Å; L94-Y283 HydrophobicContact CD2-CE1 3.9Å; L94-L294 HydrophobicContact CD1-CD2 4.07Å; L94-L294 HydrophobicContact CD2-CD2 4.09Å; L94-K298 HydrophobicContact CD2-CD 3.69Å
95	V	94	Very high	90.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.5	176	174.7	0	0	0	0	108.6	F37 G83 F84	F37-V95 HydrophobicContact CD1-CG2 4.41Å; F37-V95 HydrophobicContact CE1-CG2 3.61Å; F37-V95 HydrophobicContact CZ-CG2 4.41Å; G83-V95 CarbonylContact C-O 3.5Å; G83-V95 WeakPolarHBondContact CA-O 3.15Å; F84-V95 HydrophobicContact CD1-CB 4Å; F84-V95 HydrophobicContact CD1-CG1 3.95Å; F84-V95 HydrophobicContact CD2-CB 3.96Å; F84-V95 HydrophobicContact CD2-CG2 4.17Å; F84-V95 HydrophobicContact CE1-CB 3.72Å; F84-V95 HydrophobicContact CE1-CG1 3.37Å; F84-V95 HydrophobicContact CE1-CG2 4.27Å; F84-V95 HydrophobicContact CE2-CB 3.66Å; F84-V95 HydrophobicContact CE2-CG1 4.18Å; F84-V95 HydrophobicContact CE2-CG2 3.5Å; F84-V95 HydrophobicContact CG-CB 4.13Å; F84-V95 HydrophobicContact CZ-CB 3.55Å; F84-V95 HydrophobicContact CZ-CG1 3.52Å; F84-V95 HydrophobicContact CZ-CG2 3.57Å; F84-V95 PolarHBondContact N-O 3.49Å; F84-V95 PolarHBondContact O-N 2.86Å
96	I	92.3	Very high	90.6	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.3	167.1	-60.1	-58.3	0	0	0	107.3	T22 L94 S110 M111 M113	T22-I96 HydrophobicContact CG2-CG2 3.87Å; L94-I96 HydrophobicContact CD1-CD1 4.27Å; I96-S110 CarbonylContact O-C 3.45Å; I96-S110 WeakPolarHBondContact O-CA 3.39Å; I96-S110 WeakPolarHBondContact O-CB 3.37Å; I96-M111 PolarHBondContact O-N 2.94Å; I96-M113 HydrophobicContact CB-CG 4Å; I96-M113 HydrophobicContact CB-SD 4.32Å; I96-M113 HydrophobicContact CG1-CE 4.14Å; I96-M113 HydrophobicContact CG1-CG 3.85Å; I96-M113 HydrophobicContact CG1-SD 3.79Å
97	F	92.3	Very high	90.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	144	-178.3	-65	-61.6	0	0	0	111.2	A24 C26 A31 W35 L78 Q82 G83 F84 Y99 C107 K109	A24-F97 HydrophobicContact CB-CB 4Å; A24-F97 HydrophobicContact CB-CD2 4.48Å; C26-F97 HydrophobicContact CB-CD2 3.44Å; C26-F97 VanDerWaalsContact CB-CD2 3.44Å; C26-F97 HydrophobicContact CB-CE1 4.36Å; C26-F97 HydrophobicContact CB-CE2 3.3Å; C26-F97 HydrophobicContact CB-CG 4.09Å; C26-F97 HydrophobicContact CB-CZ 3.8Å; C26-F97 WeakPolarHBondContact SG-CD2 3.45Å; C26-F97 VanDerWaalsContact SG-CG 3.57Å; A31-F97 HydrophobicContact CB-CZ 4.03Å; W35-F97 HydrophobicContact CH2-CD1 4.36Å; W35-F97 HydrophobicContact CH2-CE1 4.04Å; W35-F97 HydrophobicContact CZ2-CE1 4.18Å; L78-F97 HydrophobicContact CD2-CZ 4.42Å; Q82-F97 WeakPolarHBondContact O-CD2 3.4Å; Q82-F97 PolarHBondContact O-N 2.84Å; G83-F97 VanDerWaalsContact CA-CE2 3.46Å; F84-F97 AromaticContact CD1-CE1 3.88Å; F84-F97 HydrophobicContact CD1-CE1 3.88Å; F84-F97 AromaticContact CD1-CZ 3.72Å; F84-F97 HydrophobicContact CD1-CZ 3.72Å; F84-F97 AromaticContact CE1-CE1 3.83Å; F84-F97 HydrophobicContact CE1-CE1 3.83Å; F84-F97 HydrophobicContact CE1-CZ 4.15Å; F97-Y99 PolarHBondContact O-N 2.76Å; F97-C107 HydrophobicContact CD1-CB 4.45Å; F97-C107 WeakPolarHBondContact CD1-O 3.4Å; F97-C107 VanDerWaalsContact CE1-O 3.27Å; F97-C107 WeakPolarHBondContact CE1-O 3.25Å; F97-K109 WeakPolarHBondContact CA-O 3.49Å
98	A	92.1	Very high	90.4	Very high	12 Å²	12	37.5 Å²	37.5	10%	0.099	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	135.5	-177.1	0	0	0	0	0	110.7	F105 N106 K109 M111	A98-F105 CarbonylContact O-C 3.49Å; A98-F105 VanDerWaalsContact O-CA 3.25Å; A98-F105 WeakPolarHBondContact O-CA 3.39Å; A98-N106 HydrophobicContact CB-CB 4.38Å; A98-N106 PolarHBondContact N-O 3.08Å; A98-N106 PolarHBondContact O-N 3.41Å; A98-K109 HydrophobicContact CB-CB 3.88Å; A98-K109 PolarHBondContact N-O 3.28Å; A98-M111 HydrophobicContact CB-SD 4.45Å
99	Y	88.4	Confident	90.4	Very high	46 Å²	46	40.4 Å²	40.4	18%	0.18	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	167.8	176.7	71.8	-80.9	0	0	0	112.8	C19 T22 P23 F97 E104 M111	C19-Y99 HydrophobicContact CB-CE1 3.94Å; C19-Y99 HydrophobicContact CB-CE2 4.22Å; C19-Y99 VanDerWaalsContact CB-CZ 3.45Å; C19-Y99 WeakPolarHBondContact CB-OH 3.36Å; C19-Y99 PolarHBondContact SG-OH 3.28Å; T22-Y99 HydrophobicContact CG2-CD1 3.68Å; T22-Y99 HydrophobicContact CG2-CE1 3.6Å; T22-Y99 HydrophobicContact CG2-CG 4.41Å; P23-Y99 VanDerWaalsContact CD-CD2 3.49Å; P23-Y99 HydrophobicContact CG-CD2 3.82Å; P23-Y99 HydrophobicContact CG-CG 4Å; F97-Y99 PolarHBondContact O-N 2.76Å; Y99-E104 CarbonylContact C-O 3.45Å; Y99-E104 WeakPolarHBondContact CA-O 3.48Å; Y99-E104 WeakPolarHBondContact CB-O 3.46Å; Y99-M111 HydrophobicContact CD1-CG 3.91Å; Y99-M111 HydrophobicContact CD1-SD 4.13Å; Y99-M111 HydrophobicContact CE1-CE 4.09Å; Y99-M111 HydrophobicContact CE1-CG 3.75Å; Y99-M111 HydrophobicContact CE1-SD 4.1Å
100	K	86.6	Confident	90.5	Very high	91 Å²	91	35.2 Å²	35.2	40%	0.396	18%	0.176	S	C	.	.			trans	-125.1	158.7	176.1	-59.3	-179.5	-169.3	165.3	0	110.1	N102 G103 E104	K100-N102 VanDerWaalsContact CB-OD1 3.24Å; K100-N102 WeakPolarHBondContact CB-OD1 3.29Å; K100-N102 PolarHBondContact O-N 2.77Å; K100-N102 VanDerWaalsContact O-N 3.14Å; K100-G103 PolarHBondContact O-N 3.32Å; K100-G103 VanDerWaalsContact O-N 3.1Å; K100-E104 HydrophobicContact CB-CB 4.17Å; K100-E104 HydrophobicContact CD-CB 4.08Å; K100-E104 WeakPolarHBondContact CD-OE2 3.43Å; K100-E104 WeakPolarHBondContact CE-OE2 3.46Å; K100-E104 HydrophobicContact CG-CB 4.32Å; K100-E104 PolarHBondContact N-O 2.77Å; K100-E104 IonicContact NZ-OE2 2.69Å; K100-E104 PolarHBondContact NZ-OE2 3.46Å
101	S	81.4	Confident	90.6	Very high	117 Å²	117	30.7 Å²	30.7	82%	0.818	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.8	-179.5	53.6	0	0	0	0	114.5	G103	S101-G103 VanDerWaalsContact C-N 3.28Å
102	N	82.8	Confident	90.5	Very high	90 Å²	90	29.1 Å²	29.1	48%	0.481	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	7.2	176.5	69.6	-15.1	0	0	0	113.7	K100 E104	K100-N102 VanDerWaalsContact CB-OD1 3.24Å; K100-N102 WeakPolarHBondContact CB-OD1 3.29Å; K100-N102 PolarHBondContact O-N 2.77Å; K100-N102 VanDerWaalsContact O-N 3.14Å; N102-E104 PolarHBondContact ND2-OE1 2.74Å; N102-E104 WeakPolarHBondContact OD1-CB 3.32Å; N102-E104 PolarHBondContact OD1-N 3.3Å
103	G	81.4	Confident	90.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	86.8	1.8	-178.9	0	0	0	0	0	114.6	K100 S101 N139	K100-G103 PolarHBondContact O-N 3.32Å; K100-G103 VanDerWaalsContact O-N 3.1Å; S101-G103 VanDerWaalsContact C-N 3.28Å; G103-N139 PolarHBondContact O-N 3.12Å
104	E	89.5	Confident	89.6	Confident	39 Å²	39	30 Å²	30	18%	0.182	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	139.2	169.2	-76	173.4	-136.2	0	0	111.1	Y99 K100 N102 F136 H137 I138	Y99-E104 CarbonylContact C-O 3.45Å; Y99-E104 WeakPolarHBondContact CA-O 3.48Å; Y99-E104 WeakPolarHBondContact CB-O 3.46Å; K100-E104 HydrophobicContact CB-CB 4.17Å; K100-E104 HydrophobicContact CD-CB 4.08Å; K100-E104 WeakPolarHBondContact CD-OE2 3.43Å; K100-E104 WeakPolarHBondContact CE-OE2 3.46Å; K100-E104 HydrophobicContact CG-CB 4.32Å; K100-E104 PolarHBondContact N-O 2.77Å; K100-E104 IonicContact NZ-OE2 2.69Å; K100-E104 PolarHBondContact NZ-OE2 3.46Å; N102-E104 PolarHBondContact ND2-OE1 2.74Å; N102-E104 WeakPolarHBondContact OD1-CB 3.32Å; N102-E104 PolarHBondContact OD1-N 3.3Å; E104-F136 HydrophobicContact CB-CD1 4.28Å; E104-H137 CarbonylContact C-O 3.54Å; E104-H137 WeakPolarHBondContact CA-O 3.41Å; E104-I138 HydrophobicContact CG-CD1 4.41Å; E104-I138 HydrophobicContact CG-CG1 3.7Å
105	F	90.8	Very high	89.1	Confident	13 Å²	13	30 Å²	30	6%	0.057	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	159.1	176.5	68.5	-86.6	0	0	0	112.3	P23 A24 N25 A98 F136 H137 N139	P23-F105 WeakPolarHBondContact O-CD1 3.42Å; A24-F105 HydrophobicContact CB-CB 4.16Å; A24-F105 HydrophobicContact CB-CD2 4.26Å; A24-F105 HydrophobicContact CB-CG 4.38Å; N25-F105 HydrophobicContact CB-CE2 4.38Å; N25-F105 HydrophobicContact CB-CZ 4.01Å; A98-F105 CarbonylContact O-C 3.49Å; A98-F105 VanDerWaalsContact O-CA 3.25Å; A98-F105 WeakPolarHBondContact O-CA 3.39Å; F105-F136 CarbonylContact O-C 3.51Å; F105-F136 VanDerWaalsContact O-CA 3.29Å; F105-F136 WeakPolarHBondContact O-CA 3.42Å; F105-H137 HydrophobicContact CD1-CB 4.04Å; F105-H137 HydrophobicContact CD2-CB 4.18Å; F105-H137 HydrophobicContact CE1-CB 3.53Å; F105-H137 HydrophobicContact CE2-CB 3.71Å; F105-H137 HydrophobicContact CG-CB 4.34Å; F105-H137 HydrophobicContact CZ-CB 3.36Å; F105-H137 PolarHBondContact N-O 3.03Å; F105-H137 PolarHBondContact O-N 2.88Å; F105-N139 HydrophobicContact CD1-CB 4.22Å; F105-N139 HydrophobicContact CE1-CB 3.98Å
106	N	93.5	Very high	88.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	117.8	-178.8	-178.7	-31.3	0	0	0	110.1	A98 H108 K109 K135 F136	A98-N106 HydrophobicContact CB-CB 4.38Å; A98-N106 PolarHBondContact N-O 3.08Å; A98-N106 PolarHBondContact O-N 3.41Å; N106-H108 VanDerWaalsContact C-N 3.28Å; N106-H108 PolarHBondContact O-N 3.24Å; N106-H108 WeakPolarHBondContact OD1-CA 3.44Å; N106-H108 WeakPolarHBondContact OD1-CB 3.23Å; N106-H108 PolarHBondContact OD1-N 2.67Å; N106-K109 VanDerWaalsContact O-O 3.13Å; N106-K109 PolarHBondContact OD1-N 3.45Å; N106-K135 VanDerWaalsContact CG-O 3.31Å; N106-F136 HydrophobicContact CB-CD1 3.8Å; N106-F136 HydrophobicContact CB-CE1 3.7Å; N106-F136 HydrophobicContact CB-CE2 4.45Å; N106-F136 HydrophobicContact CB-CG 4.24Å; N106-F136 HydrophobicContact CB-CZ 4.04Å
107	C	93.6	Very high	88	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-4.2	-176.7	-55.1	0	0	0	0	114.5	C26 D30 W35 F97	C26-C107 WeakPolarHBondContact CA-SG 3.24Å; C26-C107 HydrophobicContact CB-CB 3.67Å; C26-C107 WeakPolarHBondContact CB-SG 3.32Å; C26-C107 WeakPolarHBondContact SG-CA 3.2Å; C26-C107 WeakPolarHBondContact SG-CB 3.29Å; C26-C107 CovalentContact SG-SG 2.03Å; C26-C107 PolarHBondContact SG-SG 3.38Å; D30-C107 HydrophobicContact CB-CB 3.57Å; W35-C107 WeakPolarHBondContact CH2-O 3.42Å; W35-C107 WeakPolarHBondContact CZ2-O 3.44Å; F97-C107 HydrophobicContact CD1-CB 4.45Å; F97-C107 WeakPolarHBondContact CD1-O 3.4Å; F97-C107 VanDerWaalsContact CE1-O 3.27Å; F97-C107 WeakPolarHBondContact CE1-O 3.25Å
108	H	95.1	Very high	86.9	Confident	27 Å²	27	37.1 Å²	37.1	13%	0.125	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	2.4	-178.3	-56.2	159.2	0	0	0	112.8	N106 G128 K129 V132 H133	N106-H108 VanDerWaalsContact C-N 3.28Å; N106-H108 PolarHBondContact O-N 3.24Å; N106-H108 WeakPolarHBondContact OD1-CA 3.44Å; N106-H108 WeakPolarHBondContact OD1-CB 3.23Å; N106-H108 PolarHBondContact OD1-N 2.67Å; H108-G128 CarbonylContact O-C 3.44Å; H108-G128 WeakPolarHBondContact O-CA 3.28Å; H108-K129 HydrophobicContact CB-CB 3.97Å; H108-K129 PolarHBondContact O-N 3Å; H108-V132 HydrophobicContact CB-CG2 3.92Å; H108-H133 PolarHBondContact ND1-O 2.96Å; H108-H133 VanDerWaalsContact ND1-O 3.15Å
109	K	93.9	Very high	85.7	Confident	69 Å²	69	43.9 Å²	43.9	30%	0.3	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.6	177.9	-75.1	-174.3	167	167.3	0	110.3	F97 A98 N106 S127 D134	F97-K109 WeakPolarHBondContact CA-O 3.49Å; A98-K109 HydrophobicContact CB-CB 3.88Å; A98-K109 PolarHBondContact N-O 3.28Å; N106-K109 VanDerWaalsContact O-O 3.13Å; N106-K109 PolarHBondContact OD1-N 3.45Å; K109-S127 CarbonylContact C-O 3.59Å; K109-S127 WeakPolarHBondContact CA-O 3.48Å; K109-D134 VanDerWaalsContact CE-CG 3.48Å; K109-D134 WeakPolarHBondContact CE-OD1 3.31Å; K109-D134 WeakPolarHBondContact CE-OD2 3.27Å; K109-D134 IonicContact NZ-OD1 3.18Å; K109-D134 PolarHBondContact NZ-OD1 3.24Å; K109-D134 IonicContact NZ-OD2 2.6Å; K109-D134 PolarHBondContact NZ-OD2 2.81Å
110	S	92.9	Very high	84.6	Confident	5 Å²	5	47.1 Å²	47.1	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	158	173.9	81.1	0	0	0	0	113.1	C46 I96 S127	C46-S110 PolarHBondContact SG-O 3.48Å; C46-S110 VanDerWaalsContact SG-O 3.34Å; I96-S110 CarbonylContact O-C 3.45Å; I96-S110 WeakPolarHBondContact O-CA 3.39Å; I96-S110 WeakPolarHBondContact O-CB 3.37Å; S110-S127 PolarHBondContact N-O 3.26Å; S110-S127 PolarHBondContact OG-N 2.95Å
111	M	90.8	Very high	83.6	Confident	41 Å²	41	47.4 Å²	47.4	20%	0.202	25%	0.254	C	S	.	.			trans	-67.6	160.3	150.7	-62.5	-60	-75.8	0	0	109.8	I96 A98 Y99 M113	I96-M111 PolarHBondContact O-N 2.94Å; A98-M111 HydrophobicContact CB-SD 4.45Å; Y99-M111 HydrophobicContact CD1-CG 3.91Å; Y99-M111 HydrophobicContact CD1-SD 4.13Å; Y99-M111 HydrophobicContact CE1-CE 4.09Å; Y99-M111 HydrophobicContact CE1-CG 3.75Å; Y99-M111 HydrophobicContact CE1-SD 4.1Å; M111-M113 PolarHBondContact O-N 3.44Å
112	P	89	Confident	83.4	Confident	12 Å²	12	43.8 Å²	43.8	8%	0.078	23%	0.229	C	C	.	.	S	Bend	trans	-55.5	125	164.6	-24.7	35.4	0	0	0	110.1	K45	K45-P112 VanDerWaalsContact C-CG 3.4Å
113	M	87.4	Confident	83.3	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	-177.1	178.2	-80.5	-50.4	-61.9	0	0	111.4	T18 L94 I96 M111 S124 V125 Y283	T18-M113 HydrophobicContact CG2-CE 4.35Å; T18-M113 HydrophobicContact CG2-SD 3.67Å; L94-M113 HydrophobicContact CB-CE 4.37Å; L94-M113 HydrophobicContact CD2-CE 3.26Å; L94-M113 HydrophobicContact CG-CE 3.67Å; L94-M113 WeakPolarHBondContact O-CB 3.32Å; I96-M113 HydrophobicContact CB-CG 4Å; I96-M113 HydrophobicContact CB-SD 4.32Å; I96-M113 HydrophobicContact CG1-CE 4.14Å; I96-M113 HydrophobicContact CG1-CG 3.85Å; I96-M113 HydrophobicContact CG1-SD 3.79Å; M111-M113 PolarHBondContact O-N 3.44Å; M113-S124 CarbonylContact O-C 3.56Å; M113-S124 WeakPolarHBondContact O-CA 3.2Å; M113-V125 HydrophobicContact CB-CG1 4.39Å; M113-V125 PolarHBondContact N-O 3.45Å; M113-V125 WeakPolarHBondContact O-CG1 3.3Å; M113-V125 PolarHBondContact O-N 3.19Å; M113-Y283 HydrophobicContact CE-CD1 4.25Å; M113-Y283 HydrophobicContact CE-CE1 4.21Å
114	W	80.1	Confident	83.5	Confident	61 Å²	61	41.2 Å²	41.2	23%	0.231	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.1	-174	-58.1	73.4	0	0	0	109.5	L15 L94	L15-W114 HydrophobicContact CD2-CH2 3.61Å; L15-W114 HydrophobicContact CD2-CZ2 3.3Å; L15-W114 HydrophobicContact CD2-CZ3 4.41Å; L15-W114 HydrophobicContact CG-CH2 4.38Å; L15-W114 HydrophobicContact CG-CZ2 4.33Å; L94-W114 PolarHBondContact N-O 2.76Å
115	T	83.8	Confident	83.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.5	158.3	-179.8	0	0	0	0	108.3	R91 K92 W93 S122 G123 V125	R91-T115 WeakPolarHBondContact CD-OG1 3.29Å; R91-T115 WeakPolarHBondContact CG-OG1 3.43Å; K92-T115 VanDerWaalsContact O-CA 3.24Å; K92-T115 WeakPolarHBondContact O-CA 3.38Å; K92-T115 WeakPolarHBondContact O-CB 3.26Å; K92-T115 PolarHBondContact O-OG1 3.23Å; W93-T115 HydrophobicContact CE3-CG2 4.11Å; W93-T115 HydrophobicContact CZ3-CG2 3.94Å; T115-S122 CarbonylContact O-C 3.16Å; T115-S122 VanDerWaalsContact O-CA 3.23Å; T115-S122 WeakPolarHBondContact O-CA 3.19Å; T115-G123 WeakPolarHBondContact CG2-O 3.33Å; T115-G123 PolarHBondContact N-O 3.3Å; T115-G123 PolarHBondContact O-N 3.04Å; T115-V125 HydrophobicContact CG2-CB 4.27Å
116	H	83.2	Confident	83.6	Confident	16 Å²	16	38.8 Å²	38.8	7%	0.074	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.6	170.2	65.2	98.3	0	0	0	109.9	K92 D121 K298 D302	K92-H116 PolarHBondContact N-O 3.04Å; K92-H116 PolarHBondContact O-N 3.49Å; H116-D121 WeakPolarHBondContact CA-O 3.32Å; H116-K298 PolarHBondContact CD2-NZ 2.91Å; H116-K298 PolarHBondContact NE2-NZ 3.48Å; H116-D302 IonicContact CE1-OD1 2.91Å; H116-D302 PolarHBondContact CE1-OD1 2.96Å; H116-D302 IonicContact ND1-OD1 3.13Å; H116-D302 IonicContact NE2-OD1 3.86Å; H116-D302 PolarHBondContact NE2-OD1 3.14Å; H116-D302 IonicContact NE2-OD2 3.51Å
117	D	79.8	Confident	83.6	Confident	32 Å²	32	39 Å²	39	17%	0.171	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-180	165.5	59.1	36.1	0	0	0	112.1	H90 R91 L119 I120 D121	H90-D117 VanDerWaalsContact O-CA 3.27Å; H90-D117 WeakPolarHBondContact O-CA 3.39Å; H90-D117 WeakPolarHBondContact O-CB 3.22Å; R91-D117 HydrophobicContact CB-CB 4.29Å; R91-D117 IonicContact CZ-OD2 3.97Å; R91-D117 IonicContact NE-OD2 2.81Å; R91-D117 IonicContact NH2-OD2 3.87Å; R91-D117 PolarHBondContact NH2-OD2 2.87Å; D117-L119 PolarHBondContact O-N 3.2Å; D117-L119 WeakPolarHBondContact OD1-CA 3.39Å; D117-L119 WeakPolarHBondContact OD1-CB 3.4Å; D117-L119 PolarHBondContact OD1-N 3.1Å; D117-I120 PolarHBondContact O-N 2.93Å; D117-I120 PolarHBondContact OD1-N 2.96Å; D117-D121 PolarHBondContact N-O 3.39Å; D117-D121 PolarHBondContact OD1-N 2.95Å; D117-D121 WeakPolarHBondContact OD2-CB 3.47Å
118	T	68.4	Low	83.6	Confident	106 Å²	106	39.7 Å²	39.7	65%	0.65	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-16.1	177.6	53.3	0	0	0	0	113.8	H90 I120	H90-T118 HydrophobicContact CB-CG2 4.1Å; H90-T118 PolarHBondContact O-N 2.98Å; T118-I120 VanDerWaalsContact C-N 3.35Å
119	L	67.6	Low	83.7	Confident	153 Å²	153	39.9 Å²	39.9	80%	0.801	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	4.6	174.7	-58.9	178.9	0	0	0	112.1	D117 D121	D117-L119 PolarHBondContact O-N 3.2Å; D117-L119 WeakPolarHBondContact OD1-CA 3.39Å; D117-L119 WeakPolarHBondContact OD1-CB 3.4Å; D117-L119 PolarHBondContact OD1-N 3.1Å; L119-D121 PolarHBondContact O-N 3.49Å
120	I	66.2	Low	83.7	Confident	115 Å²	115	39.7 Å²	39.7	59%	0.59	22%	0.22	S	C	*	.			trans	63.6	28.5	-179.4	-37.6	176.2	0	0	0	111.6	I11 D117 T118 S122	I11-I120 HydrophobicContact CD1-CG2 3.96Å; D117-I120 PolarHBondContact O-N 2.93Å; D117-I120 PolarHBondContact OD1-N 2.96Å; T118-I120 VanDerWaalsContact C-N 3.35Å; I120-S122 PolarHBondContact O-N 2.79Å
121	D	65.1	Low	83.6	Confident	96 Å²	96	43.4 Å²	43.4	51%	0.513	26%	0.259	S	S	.	.			trans	-70.2	98.2	161.6	177.1	45.4	0	0	0	108.3	R91 H116 D117 L119	R91-D121 IonicContact CZ-OD2 3.62Å; R91-D121 IonicContact NH2-OD2 2.81Å; R91-D121 PolarHBondContact NH2-OD2 2.76Å; H116-D121 WeakPolarHBondContact CA-O 3.32Å; D117-D121 PolarHBondContact N-O 3.39Å; D117-D121 PolarHBondContact OD1-N 2.95Å; D117-D121 WeakPolarHBondContact OD2-CB 3.47Å; L119-D121 PolarHBondContact O-N 3.49Å
122	S	77.7	Confident	83.6	Confident	42 Å²	42	44.2 Å²	44.2	29%	0.294	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	138.3	-175.4	67.3	0	0	0	0	112.1	T115 I120	T115-S122 CarbonylContact O-C 3.16Å; T115-S122 VanDerWaalsContact O-CA 3.23Å; T115-S122 WeakPolarHBondContact O-CA 3.19Å; I120-S122 PolarHBondContact O-N 2.79Å
123	G	79.5	Confident	83.4	Confident	15 Å²	15	51.8 Å²	51.8	16%	0.155	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155	171.8	0	0	0	0	0	112	T115	T115-G123 WeakPolarHBondContact CG2-O 3.33Å; T115-G123 PolarHBondContact N-O 3.3Å; T115-G123 PolarHBondContact O-N 3.04Å
124	S	86.1	Confident	83.1	Confident	21 Å²	21	56.3 Å²	56.3	15%	0.147	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	135.6	169.2	-175.8	0	0	0	0	109.2	G40 Y42 M113	G40-S124 PolarHBondContact N-O 2.83Å; G40-S124 WeakPolarHBondContact O-CB 3.45Å; G40-S124 PolarHBondContact O-N 2.95Å; G40-S124 VanDerWaalsContact O-O 3.05Å; Y42-S124 WeakPolarHBondContact CB-OG 3.37Å; Y42-S124 PolarHBondContact N-OG 3.47Å; Y42-S124 PolarHBondContact O-OG 3.44Å; M113-S124 CarbonylContact O-C 3.56Å; M113-S124 WeakPolarHBondContact O-CA 3.2Å
125	V	89.9	Confident	83.3	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.3	-176.2	66.6	0	0	0	0	111.1	F37 H38 W93 M113 T115	F37-V125 HydrophobicContact CB-CG2 3.89Å; F37-V125 HydrophobicContact CD1-CG2 4.05Å; F37-V125 HydrophobicContact CG-CG2 4.49Å; H38-V125 WeakPolarHBondContact O-CA 3.44Å; H38-V125 WeakPolarHBondContact O-CG2 3.36Å; W93-V125 HydrophobicContact CE3-CG2 4.08Å; W93-V125 HydrophobicContact CZ3-CG2 4.14Å; M113-V125 HydrophobicContact CB-CG1 4.39Å; M113-V125 PolarHBondContact N-O 3.45Å; M113-V125 WeakPolarHBondContact O-CG1 3.3Å; M113-V125 PolarHBondContact O-N 3.19Å; T115-V125 HydrophobicContact CG2-CB 4.27Å
126	C	92.9	Very high	83.5	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.9	167.7	-82.3	0	0	0	0	109.1	H38 Y42 C46 L50	H38-C126 WeakPolarHBondContact CB-O 3.41Å; H38-C126 PolarHBondContact N-O 3.4Å; H38-C126 PolarHBondContact O-N 2.97Å; Y42-C126 HydrophobicContact CD2-CB 4.02Å; Y42-C126 VanDerWaalsContact CD2-SG 3.6Å; Y42-C126 HydrophobicContact CE2-CB 3.87Å; Y42-C126 HydrophobicContact CG-CB 4.42Å; Y42-C126 VanDerWaalsContact CG-SG 3.52Å; C46-C126 WeakPolarHBondContact CA-SG 3.5Å; C46-C126 HydrophobicContact CB-CB 3.75Å; C46-C126 WeakPolarHBondContact CB-SG 3.44Å; C46-C126 WeakPolarHBondContact SG-CB 3.21Å; C46-C126 CovalentContact SG-SG 2.03Å; C46-C126 PolarHBondContact SG-SG 3.49Å; L50-C126 HydrophobicContact CD2-CB 3.55Å
127	S	93.5	Very high	83.6	Confident	5 Å²	5	65.5 Å²	65.5	4%	0.035	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.1	-169	-51.6	0	0	0	0	111.2	K36 F37 K109 S110	K36-S127 VanDerWaalsContact O-CA 3.31Å; K36-S127 WeakPolarHBondContact O-CA 3.38Å; F37-S127 WeakPolarHBondContact CD1-OG 3.35Å; K109-S127 CarbonylContact C-O 3.59Å; K109-S127 WeakPolarHBondContact CA-O 3.48Å; S110-S127 PolarHBondContact N-O 3.26Å; S110-S127 PolarHBondContact OG-N 2.95Å
128	G	93.9	Very high	83.8	Confident	16 Å²	16	69.5 Å²	69.5	17%	0.165	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	141.3	176.7	0	0	0	0	0	112.1	W35 K36 H108	W35-G128 VanDerWaalsContact CE3-C 3.48Å; K36-G128 PolarHBondContact N-O 3Å; K36-G128 PolarHBondContact O-N 2.85Å; H108-G128 CarbonylContact O-C 3.44Å; H108-G128 WeakPolarHBondContact O-CA 3.28Å
129	K	95.2	Very high	84.1	Confident	32 Å²	32	65.3 Å²	65.3	14%	0.139	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	135.5	177.4	-164.8	172.7	-178.2	179.3	0	110.1	E29 D30 H32 R34 W35 H108 V132	E29-K129 PolarHBondContact O-NZ 2.94Å; D30-K129 WeakPolarHBondContact O-CD 3.48Å; D30-K129 PolarHBondContact O-NZ 2.8Å; H32-K129 WeakPolarHBondContact O-CE 3.38Å; H32-K129 PolarHBondContact O-NZ 3.04Å; R34-K129 WeakPolarHBondContact O-CA 3.35Å; W35-K129 HydrophobicContact CD2-CB 4.06Å; W35-K129 HydrophobicContact CD2-CG 4.49Å; W35-K129 HydrophobicContact CE3-CB 4.37Å; W35-K129 HydrophobicContact CH2-CB 4.3Å; W35-K129 HydrophobicContact CZ2-CB 3.97Å; W35-K129 HydrophobicContact CZ2-CD 4.22Å; W35-K129 HydrophobicContact CZ2-CG 4.37Å; W35-K129 HydrophobicContact CZ3-CB 4.48Å; H108-K129 HydrophobicContact CB-CB 3.97Å; H108-K129 PolarHBondContact O-N 3Å; K129-V132 HydrophobicContact CB-CG2 3.59Å; K129-V132 HydrophobicContact CD-CG1 4.36Å; K129-V132 HydrophobicContact CD-CG2 3.88Å; K129-V132 HydrophobicContact CG-CG2 3.68Å
130	I	94.7	Very high	84.1	Confident	64 Å²	64	67.3 Å²	67.3	33%	0.328	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	138.8	-175.7	-57.7	177.9	0	0	0	109.8	R34 K36 V57 V132	R34-I130 HydrophobicContact CB-CB 4.12Å; R34-I130 HydrophobicContact CB-CD1 4.26Å; R34-I130 HydrophobicContact CB-CG1 4.49Å; R34-I130 PolarHBondContact O-N 3.13Å; K36-I130 HydrophobicContact CB-CD1 3.97Å; K36-I130 HydrophobicContact CB-CG1 4.03Å; V57-I130 HydrophobicContact CB-CD1 4.32Å; V57-I130 HydrophobicContact CG1-CD1 3.53Å; V57-I130 HydrophobicContact CG2-CD1 3.81Å; I130-V132 VanDerWaalsContact C-N 3.29Å; I130-V132 PolarHBondContact O-N 3.42Å
131	G	91.5	Very high	83.8	Confident	84 Å²	84	65.3 Å²	65.3	87%	0.866	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	12.5	172.3	0	0	0	0	0	114.4
132	V	90.2	Very high	83.3	Confident	57 Å²	57	63.1 Å²	63.1	35%	0.345	34%	0.339	S	S	.	.	S	Bend	trans	-123.5	149.3	175.8	-62.9	0	0	0	0	110.3	H108 K129 I130	H108-V132 HydrophobicContact CB-CG2 3.92Å; K129-V132 HydrophobicContact CB-CG2 3.59Å; K129-V132 HydrophobicContact CD-CG1 4.36Å; K129-V132 HydrophobicContact CD-CG2 3.88Å; K129-V132 HydrophobicContact CG-CG2 3.68Å; I130-V132 VanDerWaalsContact C-N 3.29Å; I130-V132 PolarHBondContact O-N 3.42Å
133	H	84.5	Confident	82.2	Confident	172 Å²	172	63.8 Å²	63.8	80%	0.796	35%	0.353	S	S	*	.			trans	-78.6	149.1	175	-68.3	-71.4	0	0	0	111.5	H108 K135	H108-H133 PolarHBondContact ND1-O 2.96Å; H108-H133 VanDerWaalsContact ND1-O 3.15Å; H133-K135 PolarHBondContact O-N 3Å
134	D	81.5	Confident	81.1	Confident	95 Å²	95	65.6 Å²	65.6	51%	0.508	36%	0.363	S	S	.	.			trans	-61.2	121.4	170.5	-70.8	-24.4	0	0	0	110.1	K109	K109-D134 VanDerWaalsContact CE-CG 3.48Å; K109-D134 WeakPolarHBondContact CE-OD1 3.31Å; K109-D134 WeakPolarHBondContact CE-OD2 3.27Å; K109-D134 IonicContact NZ-OD1 3.18Å; K109-D134 PolarHBondContact NZ-OD1 3.24Å; K109-D134 IonicContact NZ-OD2 2.6Å; K109-D134 PolarHBondContact NZ-OD2 2.81Å
135	K	85	Confident	79.6	Confident	124 Å²	124	73 Å²	73	54%	0.539	39%	0.392	S	S	.	.			trans	-134.1	116.9	177.9	-169.8	177.3	177.8	-177.3	0	109.6	N106 H133	N106-K135 VanDerWaalsContact CG-O 3.31Å; H133-K135 PolarHBondContact O-N 3Å
136	F	87.2	Confident	78.3	Confident	86 Å²	86	75.8 Å²	75.8	38%	0.377	41%	0.412	S	S	.	.			trans	-91.4	135.9	170.2	-74.5	-92.4	0	0	0	109.7	E104 F105 N106	E104-F136 HydrophobicContact CB-CD1 4.28Å; F105-F136 CarbonylContact O-C 3.51Å; F105-F136 VanDerWaalsContact O-CA 3.29Å; F105-F136 WeakPolarHBondContact O-CA 3.42Å; N106-F136 HydrophobicContact CB-CD1 3.8Å; N106-F136 HydrophobicContact CB-CE1 3.7Å; N106-F136 HydrophobicContact CB-CE2 4.45Å; N106-F136 HydrophobicContact CB-CG 4.24Å; N106-F136 HydrophobicContact CB-CZ 4.04Å
137	H	86.4	Confident	77.1	Confident	61 Å²	61	81.5 Å²	81.5	28%	0.282	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	157.2	172.4	-64	-101.3	0	0	0	108.2	E104 F105	E104-H137 CarbonylContact C-O 3.54Å; E104-H137 WeakPolarHBondContact CA-O 3.41Å; F105-H137 HydrophobicContact CD1-CB 4.04Å; F105-H137 HydrophobicContact CD2-CB 4.18Å; F105-H137 HydrophobicContact CE1-CB 3.53Å; F105-H137 HydrophobicContact CE2-CB 3.71Å; F105-H137 HydrophobicContact CG-CB 4.34Å; F105-H137 HydrophobicContact CZ-CB 3.36Å; F105-H137 PolarHBondContact N-O 3.03Å; F105-H137 PolarHBondContact O-N 2.88Å
138	I	83.7	Confident	76.3	Confident	116 Å²	116	81.3 Å²	81.3	60%	0.595	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.5	175.6	-65.3	169.7	0	0	0	108.1	E104 K140	E104-I138 HydrophobicContact CG-CD1 4.41Å; E104-I138 HydrophobicContact CG-CG1 3.7Å; I138-K140 PolarHBondContact O-N 2.71Å
139	N	75.1	Confident	75.9	Confident	18 Å²	18	91.4 Å²	91.4	10%	0.096	47%	0.469	C	S	.	.			trans	-82.6	104.6	170.6	-171.7	-18	0	0	0	109.6	P23 G103 F105 L141 F142 V196	P23-N139 HydrophobicContact CB-CB 4.16Å; P23-N139 WeakPolarHBondContact O-CB 3.48Å; P23-N139 PolarHBondContact O-ND2 2.93Å; P23-N139 VanDerWaalsContact O-ND2 3.08Å; G103-N139 PolarHBondContact O-N 3.12Å; F105-N139 HydrophobicContact CD1-CB 4.22Å; F105-N139 HydrophobicContact CE1-CB 3.98Å; N139-L141 PolarHBondContact O-N 3.07Å; N139-L141 WeakPolarHBondContact OD1-CB 3.49Å; N139-L141 PolarHBondContact OD1-N 2.92Å; N139-L141 VanDerWaalsContact OD1-N 3.08Å; N139-F142 HydrophobicContact CB-CB 4.21Å; N139-F142 WeakPolarHBondContact O-CB 3.33Å; N139-F142 PolarHBondContact O-N 3.38Å; N139-V196 WeakPolarHBondContact ND2-CG2 3.35Å
140	K	66.1	Low	75.5	Confident	195 Å²	195	93 Å²	93	85%	0.848	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.5	-178.5	-67.2	-175.9	-179.7	179.7	0	113.8	I138 F142	I138-K140 PolarHBondContact O-N 2.71Å; K140-F142 VanDerWaalsContact C-N 3.28Å
141	L	61.2	Low	75.3	Confident	72 Å²	72	94.9 Å²	94.9	38%	0.377	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-23.8	177.3	-63.2	167.8	0	0	0	111.2	N139 G143 M195	N139-L141 PolarHBondContact O-N 3.07Å; N139-L141 WeakPolarHBondContact OD1-CB 3.49Å; N139-L141 PolarHBondContact OD1-N 2.92Å; N139-L141 VanDerWaalsContact OD1-N 3.08Å; L141-G143 PolarHBondContact O-N 3.25Å; L141-M195 HydrophobicContact CB-CB 4.37Å; L141-M195 WeakPolarHBondContact CD1-O 3.27Å
142	F	54.1	Low	75.1	Confident	50 Å²	50	91.3 Å²	91.3	22%	0.219	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	97.8	179	-158.4	-95.2	0	0	0	110.8	P23 N139 K140 K193	P23-F142 HydrophobicContact CB-CB 4.29Å; P23-F142 HydrophobicContact CB-CD1 4.42Å; P23-F142 HydrophobicContact CB-CD2 3.54Å; P23-F142 HydrophobicContact CB-CE2 3.81Å; P23-F142 HydrophobicContact CB-CG 3.85Å; P23-F142 HydrophobicContact CB-CZ 4.38Å; P23-F142 HydrophobicContact CG-CD2 4.36Å; P23-F142 HydrophobicContact CG-CE2 4.16Å; P23-F142 HydrophobicContact CG-CZ 4.36Å; N139-F142 HydrophobicContact CB-CB 4.21Å; N139-F142 WeakPolarHBondContact O-CB 3.33Å; N139-F142 PolarHBondContact O-N 3.38Å; K140-F142 VanDerWaalsContact C-N 3.28Å; F142-K193 HydrophobicContact CD2-CG 4.38Å; F142-K193 HydrophobicContact CE2-CB 4.34Å; F142-K193 HydrophobicContact CE2-CD 3.71Å; F142-K193 HydrophobicContact CE2-CG 3.68Å; F142-K193 HydrophobicContact CZ-CD 4.13Å; F142-K193 HydrophobicContact CZ-CG 4.4Å
143	G	54	Low	75	Confident	57 Å²	57	94 Å²	94	59%	0.588	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.1	14.7	172.4	0	0	0	0	0	116.7	L141 K145	L141-G143 PolarHBondContact O-N 3.25Å; G143-K145 VanDerWaalsContact C-N 3.27Å; G143-K145 PolarHBondContact O-N 3.37Å
144	S	56	Low	75.2	Confident	52 Å²	52	86.5 Å²	86.5	36%	0.364	43%	0.426	S	S	.	.			trans	-65.4	87.5	167.4	-174.9	0	0	0	0	110.4	S146	S144-S146 PolarHBondContact O-N 2.73Å
145	K	54.2	Low	75.5	Confident	176 Å²	176	82.3 Å²	82.3	77%	0.765	40%	0.404	S	S	*	.			trans	-82.5	7.4	179.8	-70.6	-175.3	178.7	-179.3	0	113.6	G143 F147 G148	G143-K145 VanDerWaalsContact C-N 3.27Å; G143-K145 PolarHBondContact O-N 3.37Å; K145-F147 PolarHBondContact O-N 3.07Å; K145-G148 PolarHBondContact O-N 2.64Å
146	S	62.8	Low	75.7	Confident	59 Å²	59	80.3 Å²	80.3	41%	0.413	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	123.3	-176.8	-161.3	0	0	0	0	109.4	S144 G148	S144-S146 PolarHBondContact O-N 2.73Å; S146-G148 PolarHBondContact O-N 3.42Å
147	F	68.9	Low	75.9	Confident	120 Å²	120	78.6 Å²	78.6	53%	0.526	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	4.6	179.2	-49.4	-74	0	0	0	117.3	K145 R149 T150 I182	K145-F147 PolarHBondContact O-N 3.07Å; F147-R149 PolarHBondContact O-N 3.27Å; F147-R149 VanDerWaalsContact O-N 3.1Å; F147-T150 WeakPolarHBondContact O-CB 3.26Å; F147-T150 PolarHBondContact O-N 2.82Å; F147-T150 PolarHBondContact O-OG1 3.4Å; F147-I182 HydrophobicContact CB-CD1 4.06Å; F147-I182 WeakPolarHBondContact O-CD1 3.49Å
148	G	76.9	Confident	76.2	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.01	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-35.1	-174.8	0	0	0	0	0	114.8	K145 S146 T181 I182 D183	K145-G148 PolarHBondContact O-N 2.64Å; S146-G148 PolarHBondContact O-N 3.42Å; G148-T181 WeakPolarHBondContact O-CB 3.26Å; G148-I182 PolarHBondContact O-N 2.76Å; G148-D183 VanDerWaalsContact C-CG 3.44Å; G148-D183 VanDerWaalsContact C-OD2 3.31Å; G148-D183 WeakPolarHBondContact CA-OD1 3.41Å; G148-D183 VanDerWaalsContact CA-OD2 3.25Å; G148-D183 WeakPolarHBondContact CA-OD2 3.44Å; G148-D183 WeakPolarHBondContact O-CB 3.41Å; G148-D183 PolarHBondContact O-N 2.72Å
149	R	84.7	Confident	76.7	Confident	228 Å²	228	70.7 Å²	70.7	86%	0.86	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-3.2	176.5	-64.8	-177.5	177.1	174.3	-3.4	114.6	F147 T181	F147-R149 PolarHBondContact O-N 3.27Å; F147-R149 VanDerWaalsContact O-N 3.1Å; R149-T181 WeakPolarHBondContact O-CG2 3.48Å
150	T	87.6	Confident	77.6	Confident	65 Å²	65	71.8 Å²	71.8	40%	0.399	38%	0.379	S	S	.	.	S	Bend	trans	-75.9	134.7	178.6	-58.9	0	0	0	0	109	F147 Y152 T181 I182	F147-T150 WeakPolarHBondContact O-CB 3.26Å; F147-T150 PolarHBondContact O-N 2.82Å; F147-T150 PolarHBondContact O-OG1 3.4Å; T150-Y152 PolarHBondContact O-N 3.1Å; T150-T181 CarbonylContact O-C 3.59Å; T150-T181 VanDerWaalsContact O-CA 3.22Å; T150-T181 WeakPolarHBondContact O-CA 3.35Å; T150-I182 PolarHBondContact O-N 2.99Å
151	L	89.8	Confident	79	Confident	104 Å²	104	66.2 Å²	66.2	55%	0.545	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-59.4	135.7	171.9	-70.6	175.4	0	0	0	110	H153 T181	L151-H153 PolarHBondContact O-N 3.03Å; L151-T181 HydrophobicContact CD2-CG2 4.1Å
152	Y	88.3	Confident	80.6	Confident	9 Å²	9	62.8 Å²	62.8	4%	0.035	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-66.1	130.9	175.6	-176.1	-108.5	0	0	0	109.7	T150 I154 L177 S178 Y180 L185 E368 F372	T150-Y152 PolarHBondContact O-N 3.1Å; Y152-I154 HydrophobicContact CD1-CG1 4.06Å; Y152-I154 HydrophobicContact CE1-CG1 3.92Å; Y152-L177 HydrophobicContact CD1-CB 4.09Å; Y152-L177 HydrophobicContact CE1-CB 4.41Å; Y152-S178 WeakPolarHBondContact O-CA 3.31Å; Y152-Y180 WeakPolarHBondContact CB-O 3.46Å; Y152-Y180 PolarHBondContact N-O 2.65Å; Y152-L185 VanDerWaalsContact CB-CD1 3.44Å; Y152-L185 HydrophobicContact CD1-CD1 3.72Å; Y152-L185 HydrophobicContact CD2-CD1 3.65Å; Y152-L185 HydrophobicContact CE1-CD1 4.37Å; Y152-L185 HydrophobicContact CE2-CD1 4.32Å; Y152-L185 HydrophobicContact CG-CD1 3.31Å; Y152-E368 PolarHBondContact OH-OE1 3.39Å; Y152-F372 AromaticContact CE1-CZ 4Å; Y152-F372 HydrophobicContact CE1-CZ 4Å; Y152-F372 WeakPolarHBondContact OH-CZ 2.95Å
153	H	87.1	Confident	82.7	Confident	115 Å²	115	63.3 Å²	63.3	53%	0.532	34%	0.342	S	S	.	.			trans	-107.2	109.1	176.3	-173.4	-88.5	0	0	0	109.1	L151 N155 H387	L151-H153 PolarHBondContact O-N 3.03Å; H153-N155 PolarHBondContact O-N 3.21Å; H153-H387 AromaticContact CE1-NE2 3.35Å; H153-H387 PolarHBondContact CE1-NE2 2.83Å; H153-H387 VanDerWaalsContact CE1-NE2 3.35Å; H153-H387 AromaticContact ND1-CD2 3.31Å; H153-H387 PolarHBondContact ND1-CD2 3.37Å; H153-H387 VanDerWaalsContact ND1-CD2 3.31Å; H153-H387 AromaticContact ND1-NE2 2.85Å; H153-H387 PolarHBondContact ND1-NE2 2.64Å
154	I	89	Confident	84.7	Confident	14 Å²	14	64.8 Å²	64.8	7%	0.072	35%	0.348	C	S	.	.			trans	-62.5	132.6	177.4	-60.6	167.5	0	0	0	109.2	Y152 P156 I173 Y174 L177 S178 F372	Y152-I154 HydrophobicContact CD1-CG1 4.06Å; Y152-I154 HydrophobicContact CE1-CG1 3.92Å; I154-P156 WeakPolarHBondContact O-CD 3.19Å; I154-I173 HydrophobicContact CD1-CG2 4.17Å; I154-I173 HydrophobicContact CG2-CG1 4.4Å; I154-I173 HydrophobicContact CG2-CG2 4.07Å; I154-Y174 WeakPolarHBondContact CD1-O 3.38Å; I154-L177 HydrophobicContact CD1-CB 3.99Å; I154-L177 HydrophobicContact CG1-CB 4.13Å; I154-S178 WeakPolarHBondContact CD1-OG 3.37Å; I154-S178 WeakPolarHBondContact CG1-OG 3.41Å; I154-F372 HydrophobicContact CG2-CE1 3.96Å; I154-F372 HydrophobicContact CG2-CZ 4.39Å
155	N	87.2	Confident	86.6	Confident	7 Å²	7	68 Å²	68	4%	0.037	36%	0.357	C	S	.	.			trans	-101.3	104.6	171.8	-178.3	3.9	0	0	0	110.9	H153 S157 F158 T385 D386 H387	H153-N155 PolarHBondContact O-N 3.21Å; N155-S157 PolarHBondContact O-N 2.75Å; N155-S157 WeakPolarHBondContact OD1-CB 3.4Å; N155-S157 PolarHBondContact OD1-N 3.05Å; N155-S157 VanDerWaalsContact OD1-N 3.08Å; N155-F158 HydrophobicContact CB-CB 3.93Å; N155-F158 VanDerWaalsContact O-CB 3.29Å; N155-F158 WeakPolarHBondContact O-CB 3.2Å; N155-F158 PolarHBondContact O-N 2.82Å; N155-T385 PolarHBondContact ND2-OG1 2.93Å; N155-T385 VanDerWaalsContact ND2-OG1 3.15Å; N155-D386 PolarHBondContact ND2-OD1 3.38Å; N155-H387 HydrophobicContact CB-CB 4.49Å; N155-H387 WeakPolarHBondContact CB-CE1 3.44Å; N155-H387 VanDerWaalsContact CB-ND1 3.25Å; N155-H387 WeakPolarHBondContact CB-ND1 3.38Å; N155-H387 PolarHBondContact ND2-ND1 3.29Å; N155-H387 PolarHBondContact OD1-CE1 3.18Å; N155-H387 PolarHBondContact OD1-ND1 3.22Å
156	P	89	Confident	88.5	Confident	82 Å²	82	61 Å²	61	53%	0.532	33%	0.327	S	S	.	.	H	α-helix	trans	-59.9	-31.2	178.6	-25.5	35.9	0	0	0	113.8	I154 F158 V159 G160 I173	I154-P156 WeakPolarHBondContact O-CD 3.19Å; P156-F158 PolarHBondContact O-N 2.65Å; P156-V159 PolarHBondContact O-N 3.33Å; P156-G160 PolarHBondContact O-N 3.46Å; P156-G160 VanDerWaalsContact O-N 3.17Å; P156-I173 HydrophobicContact CB-CD1 3.76Å; P156-I173 HydrophobicContact CG-CD1 4.14Å
157	S	92.1	Very high	90	Very high	49 Å²	49	68.3 Å²	68.3	34%	0.343	35%	0.351	S	S	.	.	H	α-helix	trans	-61.6	-33.6	176.2	-179.8	0	0	0	0	111.5	N155 G160 K161 D386	N155-S157 PolarHBondContact O-N 2.75Å; N155-S157 WeakPolarHBondContact OD1-CB 3.4Å; N155-S157 PolarHBondContact OD1-N 3.05Å; N155-S157 VanDerWaalsContact OD1-N 3.08Å; S157-G160 PolarHBondContact O-N 3.45Å; S157-K161 VanDerWaalsContact O-CG 3.3Å; S157-K161 WeakPolarHBondContact O-CG 3.46Å; S157-K161 PolarHBondContact O-N 3.2Å; S157-K161 WeakPolarHBondContact OG-CE 3.14Å; S157-D386 PolarHBondContact OG-OD1 2.81Å; S157-D386 PolarHBondContact OG-OD2 3.23Å; S157-D386 VanDerWaalsContact OG-OD2 3.08Å
158	F	91.8	Very high	91.3	Very high	3 Å²	3	63.8 Å²	63.8	1%	0.013	34%	0.335	C	S	.	.	H	α-helix	trans	-63.8	-50.1	179.8	-178.9	-129	0	0	0	111.9	N155 P156 G160 K161 I162 E368 D369 F372 V383	N155-F158 HydrophobicContact CB-CB 3.93Å; N155-F158 VanDerWaalsContact O-CB 3.29Å; N155-F158 WeakPolarHBondContact O-CB 3.2Å; N155-F158 PolarHBondContact O-N 2.82Å; P156-F158 PolarHBondContact O-N 2.65Å; F158-G160 VanDerWaalsContact C-N 3.3Å; F158-G160 PolarHBondContact O-N 3.15Å; F158-K161 PolarHBondContact O-N 3.4Å; F158-K161 VanDerWaalsContact O-N 3.15Å; F158-I162 HydrophobicContact CD1-CD1 4.01Å; F158-I162 HydrophobicContact CD2-CD1 4.25Å; F158-I162 HydrophobicContact CD2-CG1 4.47Å; F158-I162 HydrophobicContact CE1-CD1 3.71Å; F158-I162 HydrophobicContact CE2-CD1 3.96Å; F158-I162 HydrophobicContact CE2-CG1 4.22Å; F158-I162 HydrophobicContact CG-CD1 4.27Å; F158-I162 HydrophobicContact CZ-CD1 3.69Å; F158-I162 HydrophobicContact CZ-CG1 4.39Å; F158-I162 WeakPolarHBondContact O-CG1 3.45Å; F158-I162 PolarHBondContact O-N 3.08Å; F158-E368 HydrophobicContact CE1-CB 4.48Å; F158-E368 HydrophobicContact CE1-CG 3.97Å; F158-E368 HydrophobicContact CZ-CG 4.44Å; F158-D369 HydrophobicContact CZ-CB 4.17Å; F158-F372 HydrophobicContact CD1-CD2 4.09Å; F158-F372 AromaticContact CD1-CE2 3.72Å; F158-F372 HydrophobicContact CD1-CE2 3.72Å; F158-F372 HydrophobicContact CD1-CZ 4.46Å; F158-F372 AromaticContact CE1-CD2 3.95Å; F158-F372 HydrophobicContact CE1-CD2 3.95Å; F158-F372 AromaticContact CE1-CE2 3.75Å; F158-F372 HydrophobicContact CE1-CE2 3.75Å; F158-V383 HydrophobicContact CD2-CG1 4.02Å; F158-V383 HydrophobicContact CE2-CB 4.37Å; F158-V383 HydrophobicContact CE2-CG1 3.91Å; F158-V383 WeakPolarHBondContact CE2-O 3.37Å
159	V	94.3	Very high	92.3	Very high	9 Å²	9	64.2 Å²	64.2	6%	0.055	34%	0.336	C	S	.	.	H	α-helix	trans	-61.3	-40.4	175.5	178.6	0	0	0	0	111	P156 K161 I162 N163 G171 I173 F372	P156-V159 PolarHBondContact O-N 3.33Å; V159-K161 PolarHBondContact O-N 3.17Å; V159-I162 PolarHBondContact O-N 3.36Å; V159-N163 WeakPolarHBondContact O-CB 3.35Å; V159-N163 PolarHBondContact O-N 2.87Å; V159-N163 PolarHBondContact O-ND2 3.48Å; V159-G171 WeakPolarHBondContact CG1-O 3.47Å; V159-I173 HydrophobicContact CB-CG1 4.31Å; V159-I173 HydrophobicContact CG2-CG1 3.94Å; V159-F372 HydrophobicContact CG2-CB 4.1Å; V159-F372 HydrophobicContact CG2-CD1 3.61Å; V159-F372 HydrophobicContact CG2-CD2 4.38Å; V159-F372 HydrophobicContact CG2-CE1 4.1Å; V159-F372 HydrophobicContact CG2-CG 3.76Å
160	G	95.2	Very high	92.9	Very high	41 Å²	41	57.6 Å²	57.6	42%	0.423	31%	0.311	S	S	.	.	H	α-helix	trans	-59.2	-43	174.1	0	0	0	0	0	113.1	P156 S157 F158 N163 A164	P156-G160 PolarHBondContact O-N 3.46Å; P156-G160 VanDerWaalsContact O-N 3.17Å; S157-G160 PolarHBondContact O-N 3.45Å; F158-G160 VanDerWaalsContact C-N 3.3Å; F158-G160 PolarHBondContact O-N 3.15Å; G160-N163 PolarHBondContact O-N 2.88Å; G160-A164 WeakPolarHBondContact O-CB 3.45Å; G160-A164 PolarHBondContact O-N 3.39Å
161	K	95.4	Very high	93.4	Very high	78 Å²	78	54.6 Å²	54.6	34%	0.339	29%	0.294	S	S	.	.	H	α-helix	trans	-67.4	-42.4	177.2	-73.5	169.2	-176	168.6	0	112.4	S157 F158 V159 N163 A164 H165 V383 D386	S157-K161 VanDerWaalsContact O-CG 3.3Å; S157-K161 WeakPolarHBondContact O-CG 3.46Å; S157-K161 PolarHBondContact O-N 3.2Å; S157-K161 WeakPolarHBondContact OG-CE 3.14Å; F158-K161 PolarHBondContact O-N 3.4Å; F158-K161 VanDerWaalsContact O-N 3.15Å; V159-K161 PolarHBondContact O-N 3.17Å; K161-N163 VanDerWaalsContact C-N 3.34Å; K161-N163 PolarHBondContact O-N 3.15Å; K161-A164 PolarHBondContact O-N 2.93Å; K161-H165 VanDerWaalsContact O-CB 3.22Å; K161-H165 WeakPolarHBondContact O-CB 3.49Å; K161-H165 PolarHBondContact O-N 3.12Å; K161-V383 HydrophobicContact CB-CG1 3.59Å; K161-V383 HydrophobicContact CD-CG1 4.48Å; K161-D386 VanDerWaalsContact NZ-CB 3.32Å; K161-D386 IonicContact NZ-OD1 3.58Å; K161-D386 PolarHBondContact NZ-OD1 3.18Å; K161-D386 IonicContact NZ-OD2 2.97Å; K161-D386 PolarHBondContact NZ-OD2 3.45Å
162	I	95.3	Very high	93.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-55.5	-51.9	174.3	-71.3	164.3	0	0	0	109.9	F158 V159 A164 H165 Q166 W169 D369 T381 V383	F158-I162 HydrophobicContact CD1-CD1 4.01Å; F158-I162 HydrophobicContact CD2-CD1 4.25Å; F158-I162 HydrophobicContact CD2-CG1 4.47Å; F158-I162 HydrophobicContact CE1-CD1 3.71Å; F158-I162 HydrophobicContact CE2-CD1 3.96Å; F158-I162 HydrophobicContact CE2-CG1 4.22Å; F158-I162 HydrophobicContact CG-CD1 4.27Å; F158-I162 HydrophobicContact CZ-CD1 3.69Å; F158-I162 HydrophobicContact CZ-CG1 4.39Å; F158-I162 WeakPolarHBondContact O-CG1 3.45Å; F158-I162 PolarHBondContact O-N 3.08Å; V159-I162 PolarHBondContact O-N 3.36Å; I162-A164 PolarHBondContact O-N 3.26Å; I162-H165 PolarHBondContact O-N 3.26Å; I162-Q166 PolarHBondContact O-N 3.26Å; I162-W169 HydrophobicContact CD1-CH2 4.33Å; I162-W169 HydrophobicContact CG2-CH2 3.47Å; I162-W169 VanDerWaalsContact CG2-CH2 3.47Å; I162-W169 HydrophobicContact CG2-CZ2 3.56Å; I162-W169 HydrophobicContact CG2-CZ3 4.03Å; I162-D369 HydrophobicContact CD1-CB 3.68Å; I162-D369 HydrophobicContact CG1-CB 4.43Å; I162-T381 HydrophobicContact CG2-CG2 4.43Å; I162-V383 HydrophobicContact CG1-CB 4.19Å; I162-V383 HydrophobicContact CG1-CG1 4.17Å
163	N	96.8	Very high	94.2	Very high	61 Å²	61	55.4 Å²	55.4	33%	0.326	30%	0.296	S	S	.	.	H	α-helix	trans	-67.6	-22.9	-178	-70.2	-19.6	0	0	0	113.4	V159 G160 K161 G171	V159-N163 WeakPolarHBondContact O-CB 3.35Å; V159-N163 PolarHBondContact O-N 2.87Å; V159-N163 PolarHBondContact O-ND2 3.48Å; G160-N163 PolarHBondContact O-N 2.88Å; K161-N163 VanDerWaalsContact C-N 3.34Å; K161-N163 PolarHBondContact O-N 3.15Å; N163-G171 PolarHBondContact ND2-O 3.08Å; N163-G171 PolarHBondContact OD1-N 3Å
164	A	96.1	Very high	94.6	Very high	87 Å²	87	50.3 Å²	50.3	72%	0.719	27%	0.272	S	S	*	.	H	α-helix	trans	-85.9	-29.3	174.3	0	0	0	0	0	112.9	G160 K161 I162	G160-A164 WeakPolarHBondContact O-CB 3.45Å; G160-A164 PolarHBondContact O-N 3.39Å; K161-A164 PolarHBondContact O-N 2.93Å; I162-A164 PolarHBondContact O-N 3.26Å
165	H	95.3	Very high	94.9	Very high	120 Å²	120	54 Å²	54	56%	0.556	30%	0.297	S	S	*	.	H	α-helix	trans	-80.2	-32.8	-175.1	-173.6	74	0	0	0	113.1	K161 I162 V383	K161-H165 VanDerWaalsContact O-CB 3.22Å; K161-H165 WeakPolarHBondContact O-CB 3.49Å; K161-H165 PolarHBondContact O-N 3.12Å; I162-H165 PolarHBondContact O-N 3.26Å; H165-V383 HydrophobicContact CB-CG2 3.57Å
166	Q	94.7	Very high	95.2	Very high	30 Å²	30	56 Å²	56	14%	0.14	31%	0.307	C	S	.	.			trans	-138.2	166.1	-178.8	65.1	71.2	41.3	0	0	111.9	I162 W169 T381	I162-Q166 PolarHBondContact O-N 3.26Å; Q166-W169 PolarHBondContact NE2-O 2.9Å; Q166-W169 PolarHBondContact OE1-O 3.43Å; Q166-T381 HydrophobicContact CG-CG2 3.71Å
167	K	95	Very high	95.4	Very high	211 Å²	211	52.2 Å²	52.2	92%	0.917	28%	0.282	S	S	*	.	S	Bend	trans	-128.8	1.8	-176.1	-62.7	-175.1	179.2	179.7	0	114.8
168	S	96.6	Very high	95.4	Very high	26 Å²	26	52.1 Å²	52.1	18%	0.182	28%	0.281	C	S	.	.	S	Bend	trans	-78	-34.2	-176	-170.6	0	0	0	0	111.9	G376 I377 H379 E413	S168-G376 CarbonylContact O-C 3.52Å; S168-G376 WeakPolarHBondContact O-CA 3.07Å; S168-I377 CarbonylContact C-O 3.55Å; S168-I377 WeakPolarHBondContact CB-O 3.4Å; S168-I377 PolarHBondContact O-N 2.81Å; S168-I377 WeakPolarHBondContact OG-CB 3.32Å; S168-I377 PolarHBondContact OG-O 3.24Å; S168-H379 PolarHBondContact OG-NE2 3.25Å; S168-E413 PolarHBondContact OG-OE2 3.2Å
169	W	97.9	Very high	95.5	Very high	10 Å²	10	59.3 Å²	59.3	4%	0.038	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	166	174.4	62.6	-82.3	0	0	0	112.6	I162 Q166 D369 Y373 E375 I377 Y378 H379 T381	I162-W169 HydrophobicContact CD1-CH2 4.33Å; I162-W169 HydrophobicContact CG2-CH2 3.47Å; I162-W169 VanDerWaalsContact CG2-CH2 3.47Å; I162-W169 HydrophobicContact CG2-CZ2 3.56Å; I162-W169 HydrophobicContact CG2-CZ3 4.03Å; Q166-W169 PolarHBondContact NE2-O 2.9Å; Q166-W169 PolarHBondContact OE1-O 3.43Å; W169-D369 HydrophobicContact CH2-CB 3.98Å; W169-D369 WeakPolarHBondContact CH2-O 3.39Å; W169-D369 HydrophobicContact CZ2-CB 4.13Å; W169-Y373 HydrophobicContact CB-CD2 4.2Å; W169-Y373 HydrophobicContact CB-CE2 4.04Å; W169-Y373 HydrophobicContact CD2-CD2 4.28Å; W169-Y373 AromaticContact CE3-CD2 3.9Å; W169-Y373 HydrophobicContact CE3-CD2 3.9Å; W169-Y373 HydrophobicContact CG-CD2 4.45Å; W169-E375 CarbonylContact C-O 3.48Å; W169-E375 VanDerWaalsContact CA-O 3.23Å; W169-E375 WeakPolarHBondContact CA-O 3.2Å; W169-E375 VanDerWaalsContact CB-O 3.26Å; W169-E375 WeakPolarHBondContact CB-O 3.46Å; W169-I377 WeakPolarHBondContact CB-O 3.25Å; W169-I377 VanDerWaalsContact CD1-O 3.28Å; W169-Y378 HydrophobicContact CD2-CD2 4.03Å; W169-Y378 AromaticContact CE2-CD2 3.72Å; W169-Y378 HydrophobicContact CE3-CD2 4.49Å; W169-Y378 HydrophobicContact CG-CD2 4.41Å; W169-Y378 HydrophobicContact CH2-CD2 4.41Å; W169-Y378 HydrophobicContact CH2-CE2 4.23Å; W169-Y378 AromaticContact CZ2-CD2 3.94Å; W169-Y378 HydrophobicContact CZ2-CD2 3.94Å; W169-Y378 AromaticContact CZ2-CE2 3.77Å; W169-Y378 HydrophobicContact CZ2-CE2 3.77Å; W169-Y378 AromaticContact NE1-CD2 3.91Å; W169-H379 PolarHBondContact NE1-O 3.08Å; W169-T381 HydrophobicContact CZ2-CG2 3.92Å
170	R	97.5	Very high	95.4	Very high	88 Å²	88	61.2 Å²	61.2	33%	0.332	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.9	175.1	-174.8	175.6	62.5	79.9	-6.6	110.8	E172 K374 E375	R170-E172 IonicContact CZ-OE2 3.35Å; R170-E172 IonicContact NH1-OE2 2.67Å; R170-E172 PolarHBondContact NH1-OE2 2.9Å; R170-E172 IonicContact NH2-OE2 3.58Å; R170-E172 PolarHBondContact NH2-OE2 3.48Å; R170-K374 VanDerWaalsContact NH2-CG 3.33Å; R170-K374 VanDerWaalsContact O-CB 3.3Å; R170-K374 WeakPolarHBondContact O-CB 3.41Å; R170-K374 PolarHBondContact O-N 3.1Å; R170-E375 HydrophobicContact CB-CG 4.12Å; R170-E375 IonicContact CZ-OE1 3.85Å; R170-E375 PolarHBondContact N-O 3.32Å; R170-E375 IonicContact NE-OE1 3.2Å; R170-E375 PolarHBondContact NE-OE1 2.85Å; R170-E375 IonicContact NH2-OE1 3.61Å; R170-E375 PolarHBondContact NH2-OE1 2.78Å
171	G	97.3	Very high	95.1	Very high	3 Å²	3	60.5 Å²	60.5	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	145.2	167.7	0	0	0	0	0	112.4	V159 N163 F372	V159-G171 WeakPolarHBondContact CG1-O 3.47Å; N163-G171 PolarHBondContact ND2-O 3.08Å; N163-G171 PolarHBondContact OD1-N 3Å; G171-F372 CarbonylContact C-O 3.59Å; G171-F372 WeakPolarHBondContact CA-O 3.32Å
172	E	97.4	Very high	94.7	Very high	60 Å²	60	57 Å²	57	28%	0.28	29%	0.291	S	S	.	.			trans	-133.7	146.5	175.5	-172.7	164.5	122.9	0	0	110	R170 Y174 F372 K374	R170-E172 IonicContact CZ-OE2 3.35Å; R170-E172 IonicContact NH1-OE2 2.67Å; R170-E172 PolarHBondContact NH1-OE2 2.9Å; R170-E172 IonicContact NH2-OE2 3.58Å; R170-E172 PolarHBondContact NH2-OE2 3.48Å; E172-Y174 HydrophobicContact CB-CE2 4.47Å; E172-Y174 WeakPolarHBondContact O-CD2 3.5Å; E172-Y174 PolarHBondContact O-N 3.42Å; E172-F372 PolarHBondContact N-O 3.04Å; E172-F372 WeakPolarHBondContact O-CD1 3.39Å; E172-K374 HydrophobicContact CB-CB 3.79Å; E172-K374 HydrophobicContact CB-CD 4.27Å; E172-K374 HydrophobicContact CB-CG 4.12Å; E172-K374 WeakPolarHBondContact OE1-CE 3.27Å; E172-K374 IonicContact OE1-NZ 2.7Å; E172-K374 PolarHBondContact OE1-NZ 3.03Å; E172-K374 WeakPolarHBondContact OE2-CD 3.22Å; E172-K374 VanDerWaalsContact OE2-CE 3.29Å; E172-K374 WeakPolarHBondContact OE2-CE 3.44Å; E172-K374 WeakPolarHBondContact OE2-CG 3.32Å; E172-K374 IonicContact OE2-NZ 3.24Å
173	I	96.6	Very high	94.2	Very high	69 Å²	69	58.9 Å²	58.9	35%	0.354	30%	0.301	S	S	.	.			trans	-79	123.6	175	-67.9	171.1	0	0	0	108.5	I154 P156 V159 P175	I154-I173 HydrophobicContact CD1-CG2 4.17Å; I154-I173 HydrophobicContact CG2-CG1 4.4Å; I154-I173 HydrophobicContact CG2-CG2 4.07Å; P156-I173 HydrophobicContact CB-CD1 3.76Å; P156-I173 HydrophobicContact CG-CD1 4.14Å; V159-I173 HydrophobicContact CB-CG1 4.31Å; V159-I173 HydrophobicContact CG2-CG1 3.94Å; I173-P175 WeakPolarHBondContact O-CD 3.34Å
174	Y	96.1	Very high	93.9	Very high	8 Å²	8	58.6 Å²	58.6	3%	0.031	30%	0.298	C	S	.	.			trans	-102.9	97.8	172.5	-69.1	-74.9	0	0	0	109.5	I154 E172 E176 L177 Q371 Y373 K374 W426 G427	I154-Y174 WeakPolarHBondContact CD1-O 3.38Å; E172-Y174 HydrophobicContact CB-CE2 4.47Å; E172-Y174 WeakPolarHBondContact O-CD2 3.5Å; E172-Y174 PolarHBondContact O-N 3.42Å; Y174-E176 WeakPolarHBondContact CA-OE2 3.27Å; Y174-E176 WeakPolarHBondContact CD1-OE1 3.31Å; Y174-E176 PolarHBondContact O-N 3.23Å; Y174-L177 WeakPolarHBondContact O-CB 3.44Å; Y174-L177 WeakPolarHBondContact O-CG 3.19Å; Y174-L177 PolarHBondContact O-N 3.28Å; Y174-Q371 WeakPolarHBondContact CD2-O 3.44Å; Y174-Y373 WeakPolarHBondContact CE2-O 3.39Å; Y174-Y373 PolarHBondContact OH-O 3.13Å; Y174-K374 WeakPolarHBondContact OH-CD 3.27Å; Y174-W426 HydrophobicContact CE1-CB 4.42Å; Y174-W426 AromaticContact CE2-CD1 3.65Å; Y174-W426 AromaticContact CE2-NE1 3.91Å; Y174-W426 AromaticContact CZ-CD1 3.67Å; Y174-G427 PolarHBondContact OH-N 3.48Å
175	P	95	Very high	93.5	Very high	91 Å²	91	54.5 Å²	54.5	59%	0.591	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-58.7	-23.8	-173	-24.5	35.4	0	0	0	114.4	I173 L177 S178	I173-P175 WeakPolarHBondContact O-CD 3.34Å; P175-L177 PolarHBondContact O-N 3.49Å; P175-S178 PolarHBondContact O-N 3.09Å
176	E	93.8	Very high	93.1	Very high	51 Å²	51	48.9 Å²	48.9	24%	0.238	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-64.1	-23.6	175.2	69.2	-85.9	-156.6	0	0	113.8	Y174 S178 K179	Y174-E176 WeakPolarHBondContact CA-OE2 3.27Å; Y174-E176 WeakPolarHBondContact CD1-OE1 3.31Å; Y174-E176 PolarHBondContact O-N 3.23Å; E176-S178 PolarHBondContact O-N 2.78Å; E176-K179 HydrophobicContact CB-CD 4.45Å; E176-K179 VanDerWaalsContact O-CB 3.26Å; E176-K179 WeakPolarHBondContact O-CB 3.39Å; E176-K179 PolarHBondContact O-N 3.48Å
177	L	92.6	Very high	92.7	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-60.6	-32.1	177	-63.6	175.9	0	0	0	111.5	Y152 I154 Y174 P175 K179 Y180 L185 Q371 F372	Y152-L177 HydrophobicContact CD1-CB 4.09Å; Y152-L177 HydrophobicContact CE1-CB 4.41Å; I154-L177 HydrophobicContact CD1-CB 3.99Å; I154-L177 HydrophobicContact CG1-CB 4.13Å; Y174-L177 WeakPolarHBondContact O-CB 3.44Å; Y174-L177 WeakPolarHBondContact O-CG 3.19Å; Y174-L177 PolarHBondContact O-N 3.28Å; P175-L177 PolarHBondContact O-N 3.49Å; L177-K179 PolarHBondContact O-N 3.36Å; L177-Y180 PolarHBondContact O-N 2.89Å; L177-Y180 VanDerWaalsContact O-N 3.15Å; L177-L185 HydrophobicContact CD2-CD2 3.86Å; L177-Q371 HydrophobicContact CD1-CB 4.23Å; L177-F372 HydrophobicContact CD1-CD1 4.08Å; L177-F372 HydrophobicContact CD1-CE1 3.67Å; L177-F372 HydrophobicContact CD1-CZ 4.15Å
178	S	92.3	Very high	92.5	Very high	48 Å²	48	39.4 Å²	39.4	34%	0.336	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-69	-9.6	176.3	-58.5	0	0	0	0	114.2	Y152 I154 P175 E176 Y180	Y152-S178 WeakPolarHBondContact O-CA 3.31Å; I154-S178 WeakPolarHBondContact CD1-OG 3.37Å; I154-S178 WeakPolarHBondContact CG1-OG 3.41Å; P175-S178 PolarHBondContact O-N 3.09Å; E176-S178 PolarHBondContact O-N 2.78Å; S178-Y180 VanDerWaalsContact C-N 3.34Å
179	K	93.8	Very high	92.1	Very high	153 Å²	153	38.1 Å²	38.1	67%	0.665	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-83.8	-15	174.9	-58.8	177.2	-178.9	173.2	0	112.3	E176 L177	E176-K179 HydrophobicContact CB-CD 4.45Å; E176-K179 VanDerWaalsContact O-CB 3.26Å; E176-K179 WeakPolarHBondContact O-CB 3.39Å; E176-K179 PolarHBondContact O-N 3.48Å; L177-K179 PolarHBondContact O-N 3.36Å
180	Y	92.2	Very high	91.5	Very high	50 Å²	50	37.7 Å²	37.7	20%	0.196	19%	0.188	C	C	.	.	S	Bend	trans	-100.8	146	-176.2	-55.8	-45.2	0	0	0	111	Y152 L177 S178 E184 L185 I243	Y152-Y180 WeakPolarHBondContact CB-O 3.46Å; Y152-Y180 PolarHBondContact N-O 2.65Å; L177-Y180 PolarHBondContact O-N 2.89Å; L177-Y180 VanDerWaalsContact O-N 3.15Å; S178-Y180 VanDerWaalsContact C-N 3.34Å; Y180-E184 WeakPolarHBondContact CA-OE2 3.32Å; Y180-L185 HydrophobicContact CD2-CD2 3.63Å; Y180-L185 HydrophobicContact CG-CD2 4.15Å; Y180-I243 HydrophobicContact CD1-CG2 3.45Å; Y180-I243 VanDerWaalsContact CD1-CG2 3.45Å; Y180-I243 HydrophobicContact CE1-CG2 3.51Å; Y180-I243 HydrophobicContact CG-CG2 4.2Å
181	T	90.5	Very high	90.4	Very high	25 Å²	25	33.5 Å²	33.5	15%	0.153	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-74.3	161.8	165.6	61.8	0	0	0	0	111	G148 R149 T150 L151 D183 E184 L185	G148-T181 WeakPolarHBondContact O-CB 3.26Å; R149-T181 WeakPolarHBondContact O-CG2 3.48Å; T150-T181 CarbonylContact O-C 3.59Å; T150-T181 VanDerWaalsContact O-CA 3.22Å; T150-T181 WeakPolarHBondContact O-CA 3.35Å; L151-T181 HydrophobicContact CD2-CG2 4.1Å; T181-D183 VanDerWaalsContact C-N 3.27Å; T181-D183 PolarHBondContact O-N 3.16Å; T181-E184 WeakPolarHBondContact CB-OE2 3.47Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.36Å; T181-E184 PolarHBondContact N-OE2 2.94Å; T181-E184 PolarHBondContact O-N 2.7Å; T181-E184 VanDerWaalsContact O-N 3.14Å; T181-E184 WeakPolarHBondContact OG1-CB 3.47Å; T181-E184 VanDerWaalsContact OG1-CD 3.27Å; T181-E184 WeakPolarHBondContact OG1-CG 3.39Å; T181-E184 PolarHBondContact OG1-N 3.05Å; T181-E184 PolarHBondContact OG1-OE2 2.78Å; T181-L185 PolarHBondContact O-N 3.03Å
182	I	85.5	Confident	88.8	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-57.4	-40.8	176.2	-69.4	163.2	0	0	0	111.3	F147 G148 T150 L185 R186 P392	F147-I182 HydrophobicContact CB-CD1 4.06Å; F147-I182 WeakPolarHBondContact O-CD1 3.49Å; G148-I182 PolarHBondContact O-N 2.76Å; T150-I182 PolarHBondContact O-N 2.99Å; I182-L185 PolarHBondContact O-N 3.08Å; I182-R186 VanDerWaalsContact O-CG 3.29Å; I182-R186 WeakPolarHBondContact O-CG 3.34Å; I182-R186 PolarHBondContact O-N 2.79Å; I182-P392 HydrophobicContact CD1-CB 3.99Å; I182-P392 HydrophobicContact CD1-CG 3.52Å; I182-P392 HydrophobicContact CG1-CG 4.32Å; I182-P392 HydrophobicContact CG2-CB 4.32Å
183	D	85.2	Confident	87.1	Confident	40 Å²	40	34.5 Å²	34.5	21%	0.214	18%	0.178	C	C	.	.	H	α-helix	trans	-66.8	-36.9	176.8	-75.7	-16.3	0	0	0	112.1	G148 T181 R186 N187	G148-D183 VanDerWaalsContact C-CG 3.44Å; G148-D183 VanDerWaalsContact C-OD2 3.31Å; G148-D183 WeakPolarHBondContact CA-OD1 3.41Å; G148-D183 VanDerWaalsContact CA-OD2 3.25Å; G148-D183 WeakPolarHBondContact CA-OD2 3.44Å; G148-D183 WeakPolarHBondContact O-CB 3.41Å; G148-D183 PolarHBondContact O-N 2.72Å; T181-D183 VanDerWaalsContact C-N 3.27Å; T181-D183 PolarHBondContact O-N 3.16Å; D183-R186 PolarHBondContact O-N 3.42Å; D183-R186 IonicContact OD1-NH1 3.45Å; D183-R186 PolarHBondContact OD1-NH1 2.87Å; D183-R186 VanDerWaalsContact OD1-NH1 3.13Å; D183-N187 WeakPolarHBondContact O-CB 3.37Å; D183-N187 PolarHBondContact O-N 2.94Å; D183-N187 PolarHBondContact O-ND2 3.18Å
184	E	89.8	Confident	85.2	Confident	55 Å²	55	31.6 Å²	31.6	26%	0.257	16%	0.164	S	C	.	.	H	α-helix	trans	-66.9	-37.6	174.7	-75.7	167.2	146	0	0	112.2	Y180 T181 N187 R188 I243	Y180-E184 WeakPolarHBondContact CA-OE2 3.32Å; T181-E184 WeakPolarHBondContact CB-OE2 3.47Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.36Å; T181-E184 PolarHBondContact N-OE2 2.94Å; T181-E184 PolarHBondContact O-N 2.7Å; T181-E184 VanDerWaalsContact O-N 3.14Å; T181-E184 WeakPolarHBondContact OG1-CB 3.47Å; T181-E184 VanDerWaalsContact OG1-CD 3.27Å; T181-E184 WeakPolarHBondContact OG1-CG 3.39Å; T181-E184 PolarHBondContact OG1-N 3.05Å; T181-E184 PolarHBondContact OG1-OE2 2.78Å; E184-N187 PolarHBondContact O-N 3.37Å; E184-R188 WeakPolarHBondContact O-CB 3.4Å; E184-R188 PolarHBondContact O-N 2.85Å; E184-I243 HydrophobicContact CB-CB 4.07Å; E184-I243 HydrophobicContact CB-CG2 3.82Å; E184-I243 HydrophobicContact CG-CB 4.13Å; E184-I243 HydrophobicContact CG-CD1 3.92Å; E184-I243 HydrophobicContact CG-CG2 4.09Å
185	L	89.2	Confident	83.2	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-41.1	173.8	-72.2	-178.1	0	0	0	112.2	Y152 L177 Y180 T181 I182 R188 A189	Y152-L185 VanDerWaalsContact CB-CD1 3.44Å; Y152-L185 HydrophobicContact CD1-CD1 3.72Å; Y152-L185 HydrophobicContact CD2-CD1 3.65Å; Y152-L185 HydrophobicContact CE1-CD1 4.37Å; Y152-L185 HydrophobicContact CE2-CD1 4.32Å; Y152-L185 HydrophobicContact CG-CD1 3.31Å; L177-L185 HydrophobicContact CD2-CD2 3.86Å; Y180-L185 HydrophobicContact CD2-CD2 3.63Å; Y180-L185 HydrophobicContact CG-CD2 4.15Å; T181-L185 PolarHBondContact O-N 3.03Å; I182-L185 PolarHBondContact O-N 3.08Å; L185-R188 PolarHBondContact O-N 2.83Å; L185-A189 WeakPolarHBondContact O-CB 3.47Å; L185-A189 PolarHBondContact O-N 3.25Å; L185-A189 VanDerWaalsContact O-N 3.1Å
186	R	85.4	Confident	81.2	Confident	3 Å²	3	27.8 Å²	27.8	1%	0.011	14%	0.139	C	C	.	.	H	α-helix	trans	-63.1	-42.1	173.5	-70.7	163.6	176.1	-177.5	-13.9	111.4	I182 D183 A189 G190 G191 V192 P392 E394	I182-R186 VanDerWaalsContact O-CG 3.29Å; I182-R186 WeakPolarHBondContact O-CG 3.34Å; I182-R186 PolarHBondContact O-N 2.79Å; D183-R186 PolarHBondContact O-N 3.42Å; D183-R186 IonicContact OD1-NH1 3.45Å; D183-R186 PolarHBondContact OD1-NH1 2.87Å; D183-R186 VanDerWaalsContact OD1-NH1 3.13Å; R186-A189 PolarHBondContact O-N 3.16Å; R186-G190 PolarHBondContact O-N 3.05Å; R186-G191 PolarHBondContact O-N 3Å; R186-V192 HydrophobicContact CB-CG1 4.15Å; R186-P392 PolarHBondContact NE-O 3.42Å; R186-P392 PolarHBondContact NH2-O 3.07Å; R186-E394 IonicContact CZ-OE1 3.49Å; R186-E394 IonicContact NH2-OE1 2.84Å; R186-E394 PolarHBondContact NH2-OE1 2.88Å
187	N	87.3	Confident	79.2	Confident	35 Å²	35	29.8 Å²	29.8	19%	0.187	15%	0.154	C	C	.	.	H	α-helix	trans	-64.1	-46.3	175.5	-73.2	-22.9	0	0	0	111.5	D183 E184 A189 G190 G191 V192 I243 G245	D183-N187 WeakPolarHBondContact O-CB 3.37Å; D183-N187 PolarHBondContact O-N 2.94Å; D183-N187 PolarHBondContact O-ND2 3.18Å; E184-N187 PolarHBondContact O-N 3.37Å; N187-A189 PolarHBondContact O-N 3.19Å; N187-A189 VanDerWaalsContact O-N 3.15Å; N187-G190 PolarHBondContact O-N 3.5Å; N187-G190 VanDerWaalsContact O-N 3.08Å; N187-G191 PolarHBondContact O-N 2.79Å; N187-V192 PolarHBondContact OD1-N 3.23Å; N187-I243 WeakPolarHBondContact CB-O 3.27Å; N187-G245 WeakPolarHBondContact O-CA 3.36Å; N187-G245 PolarHBondContact O-N 3.11Å
188	R	91	Very high	77.4	Confident	6 Å²	6	31.6 Å²	31.6	2%	0.023	16%	0.161	C	C	.	.	H	α-helix	trans	-55.3	-31.9	174.2	178.5	172.2	-178.9	-131.8	10.2	113.2	E184 L185 Q241 G242 I243 W422	E184-R188 WeakPolarHBondContact O-CB 3.4Å; E184-R188 PolarHBondContact O-N 2.85Å; L185-R188 PolarHBondContact O-N 2.83Å; R188-Q241 PolarHBondContact O-NE2 3.2Å; R188-Q241 VanDerWaalsContact O-NE2 3.09Å; R188-G242 WeakPolarHBondContact CG-O 3.37Å; R188-I243 PolarHBondContact N-O 2.93Å; R188-W422 HydrophobicContact CG-CZ2 4.32Å; R188-W422 VanDerWaalsContact NH2-CB 3.35Å; R188-W422 PolarHBondContact O-NE1 2.84Å
189	A	88.7	Confident	75.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-1	-179.1	0	0	0	0	0	115	L185 R186 N187 V366 T396 N397 H398 W422	L185-A189 WeakPolarHBondContact O-CB 3.47Å; L185-A189 PolarHBondContact O-N 3.25Å; L185-A189 VanDerWaalsContact O-N 3.1Å; R186-A189 PolarHBondContact O-N 3.16Å; N187-A189 PolarHBondContact O-N 3.19Å; N187-A189 VanDerWaalsContact O-N 3.15Å; A189-V366 HydrophobicContact CB-CB 4.09Å; A189-V366 HydrophobicContact CB-CG1 3.83Å; A189-T396 WeakPolarHBondContact CB-OG1 3.22Å; A189-T396 PolarHBondContact O-OG1 3.08Å; A189-N397 CarbonylContact O-C 3.48Å; A189-H398 WeakPolarHBondContact O-CA 3.41Å; A189-H398 VanDerWaalsContact O-CB 3.23Å; A189-H398 WeakPolarHBondContact O-CB 3.45Å; A189-W422 HydrophobicContact CB-CZ2 4.49Å
190	G	83.8	Confident	72.8	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.01	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	149.8	-31.6	178	0	0	0	0	0	114.7	R186 N187 N397	R186-G190 PolarHBondContact O-N 3.05Å; N187-G190 PolarHBondContact O-N 3.5Å; N187-G190 VanDerWaalsContact O-N 3.08Å; G190-N397 WeakPolarHBondContact CA-O 3.18Å
191	G	75.8	Confident	70.9	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.156	C	C	.	.			trans	120.9	151.5	-174.1	0	0	0	0	0	112.5	R186 N187 K193 S194	R186-G191 PolarHBondContact O-N 3Å; N187-G191 PolarHBondContact O-N 2.79Å; G191-K193 PolarHBondContact O-N 3.27Å; G191-S194 PolarHBondContact O-N 2.75Å
192	V	62.8	Low	68.7	Low	44 Å²	44	32.8 Å²	32.8	27%	0.267	18%	0.183	S	C	.	.	S	Bend	trans	-67.7	-8.8	174.7	-62.6	0	0	0	0	114.2	R186 N187 M195	R186-V192 HydrophobicContact CB-CG1 4.15Å; N187-V192 PolarHBondContact OD1-N 3.23Å; V192-M195 HydrophobicContact CB-CE 4.02Å; V192-M195 HydrophobicContact CG1-CE 4.24Å; V192-M195 VanDerWaalsContact O-CG 3.23Å; V192-M195 WeakPolarHBondContact O-CG 3.38Å
193	K	62.2	Low	66.9	Low	40 Å²	40	36 Å²	36	17%	0.174	20%	0.2	C	C	.	.	S	Bend	trans	-97.5	-21.3	179.1	-59.8	-174.5	-175.8	175.8	0	112.5	D21 F142 G191 M195 E285	D21-K193 HydrophobicContact CB-CB 4.11Å; D21-K193 VanDerWaalsContact O-CB 3.24Å; D21-K193 WeakPolarHBondContact O-CB 3.29Å; D21-K193 WeakPolarHBondContact O-CD 3.33Å; D21-K193 VanDerWaalsContact OD1-C 3.27Å; D21-K193 WeakPolarHBondContact OD2-CB 3.38Å; F142-K193 HydrophobicContact CD2-CG 4.38Å; F142-K193 HydrophobicContact CE2-CB 4.34Å; F142-K193 HydrophobicContact CE2-CD 3.71Å; F142-K193 HydrophobicContact CE2-CG 3.68Å; F142-K193 HydrophobicContact CZ-CD 4.13Å; F142-K193 HydrophobicContact CZ-CG 4.4Å; G191-K193 PolarHBondContact O-N 3.27Å; K193-M195 PolarHBondContact O-N 3.22Å; K193-E285 IonicContact NZ-OE2 2.62Å; K193-E285 PolarHBondContact NZ-OE2 3.42Å
194	S	56.9	Low	65.6	Low	7 Å²	7	38.1 Å²	38.1	5%	0.049	21%	0.205	C	C	.	.			trans	-72.1	17.6	172.3	-73.2	0	0	0	0	114.3	D21 G191 V196 N397	D21-S194 PolarHBondContact OD1-N 2.81Å; D21-S194 WeakPolarHBondContact OD2-CB 3.02Å; D21-S194 PolarHBondContact OD2-N 2.71Å; D21-S194 PolarHBondContact OD2-OG 2.83Å; G191-S194 PolarHBondContact O-N 2.75Å; S194-V196 PolarHBondContact O-N 3.33Å; S194-N397 PolarHBondContact O-N 3.04Å; S194-N397 PolarHBondContact O-ND2 3.17Å
195	M	53.9	Low	64.3	Low	14 Å²	14	40.6 Å²	40.6	7%	0.069	22%	0.215	C	C	.	.			trans	-76.8	2.1	-175.8	-72.1	174.9	163.9	0	0	114.6	L141 V192 K193 T197 E394	L141-M195 HydrophobicContact CB-CB 4.37Å; L141-M195 WeakPolarHBondContact CD1-O 3.27Å; V192-M195 HydrophobicContact CB-CE 4.02Å; V192-M195 HydrophobicContact CG1-CE 4.24Å; V192-M195 VanDerWaalsContact O-CG 3.23Å; V192-M195 WeakPolarHBondContact O-CG 3.38Å; K193-M195 PolarHBondContact O-N 3.22Å; M195-T197 PolarHBondContact O-N 3.34Å; M195-E394 HydrophobicContact CE-CB 4.17Å; M195-E394 HydrophobicContact CE-CG 4.45Å; M195-E394 WeakPolarHBondContact CE-OE2 3.31Å
196	V	52.9	Low	63.6	Low	6 Å²	6	46.5 Å²	46.5	4%	0.036	25%	0.251	C	S	.	.			trans	-88.4	115.5	-171.4	-176.3	0	0	0	0	110.4	N25 Y80 N81 N139 S194 R198	N25-V196 HydrophobicContact CB-CG1 3.7Å; N25-V196 WeakPolarHBondContact ND2-CG1 3.47Å; N25-V196 VanDerWaalsContact OD1-CG1 3.26Å; N25-V196 WeakPolarHBondContact OD1-CG1 3.37Å; Y80-V196 PolarHBondContact OH-O 2.79Å; N81-V196 WeakPolarHBondContact ND2-CG1 3.26Å; N139-V196 WeakPolarHBondContact ND2-CG2 3.35Å; S194-V196 PolarHBondContact O-N 3.33Å; V196-R198 PolarHBondContact O-N 3.03Å
197	T	51.6	Low	63.3	Low	92 Å²	92	48.1 Å²	48.1	56%	0.564	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-55	130.8	170.5	41.8	0	0	0	0	110	M195 L395	M195-T197 PolarHBondContact O-N 3.34Å; T197-L395 HydrophobicContact CG2-CD2 4.34Å
198	R	53.9	Low	63.2	Low	40 Å²	40	49.1 Å²	49.1	15%	0.151	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-56.4	130.8	-175.3	-166.7	165	-173.8	-143.8	0	110.8	Y80 V196 S200 V201 Y342 D439 S445	Y80-R198 HydrophobicContact CE2-CG 4.06Å; V196-R198 PolarHBondContact O-N 3.03Å; R198-S200 PolarHBondContact O-N 3.1Å; R198-V201 VanDerWaalsContact NH2-CG2 3.33Å; R198-Y342 PolarHBondContact NE-OH 3.38Å; R198-Y342 VanDerWaalsContact NE-OH 3.15Å; R198-D439 IonicContact NH1-OD2 2.76Å; R198-S445 PolarHBondContact NH1-OG 3.34Å; R198-S445 PolarHBondContact NH2-O 2.03Å; R198-S445 PolarHBondContact NH2-OG 3.14Å
199	P	47.9	Very low	63.1	Low	32 Å²	32	57.2 Å²	57.2	21%	0.208	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-56.2	128.5	164.5	-19.4	30.5	0	0	0	107.6	T27 N81 V201	T27-P199 HydrophobicContact CG2-CB 4.05Å; T27-P199 HydrophobicContact CG2-CG 4.24Å; N81-P199 HydrophobicContact CB-CG 4.36Å; P199-V201 PolarHBondContact O-N 3.15Å; P199-V201 VanDerWaalsContact O-N 3.1Å
200	S	42.6	Very low	63.2	Low	89 Å²	89	63.8 Å²	63.8	62%	0.622	34%	0.338	S	S	*	.			trans	-45.2	125.9	-179.2	66.7	0	0	0	0	108.8	R198 L202	R198-S200 PolarHBondContact O-N 3.1Å; S200-L202 PolarHBondContact O-N 3.37Å
201	V	51.1	Low	63.4	Low	43 Å²	43	64.7 Å²	64.7	26%	0.261	34%	0.343	S	S	.	.			trans	-65.6	85.2	176	-171.5	0	0	0	0	106.3	R198 P199 N203	R198-V201 VanDerWaalsContact NH2-CG2 3.33Å; P199-V201 PolarHBondContact O-N 3.15Å; P199-V201 VanDerWaalsContact O-N 3.1Å; V201-N203 PolarHBondContact O-N 2.73Å
202	L	44.2	Very low	64	Low	136 Å²	136	69 Å²	69	71%	0.712	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-9.7	-171.6	-95.2	160.5	0	0	0	112.3	S200	S200-L202 PolarHBondContact O-N 3.37Å
203	N	49	Very low	65.3	Low	71 Å²	71	71.1 Å²	71.1	38%	0.38	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144	52.2	-172.4	-65.7	-61.4	0	0	0	112.9	Y62 V201 K205	Y62-N203 VanDerWaalsContact CE2-ND2 3.35Å; Y62-N203 WeakPolarHBondContact CE2-ND2 3.43Å; Y62-N203 WeakPolarHBondContact OH-CB 3.46Å; Y62-N203 PolarHBondContact OH-ND2 2.91Å; Y62-N203 PolarHBondContact OH-OD1 2.92Å; V201-N203 PolarHBondContact O-N 2.73Å; N203-K205 VanDerWaalsContact C-N 3.3Å; N203-K205 PolarHBondContact O-N 3.5Å
204	R	58.4	Low	66.6	Low	85 Å²	85	74.4 Å²	74.4	32%	0.321	40%	0.4	S	S	.	.			trans	-64.7	99.2	162.5	-161.1	176.1	-159.7	-162.3	2	107.6	T206 E444	R204-T206 PolarHBondContact O-N 3.15Å; R204-E444 IonicContact CZ-OE2 3.73Å; R204-E444 IonicContact NH1-OE2 2.7Å; R204-E444 PolarHBondContact NH1-OE2 2.97Å; R204-E444 IonicContact NH2-OE2 3.04Å; R204-E444 PolarHBondContact NH2-OE2 3.48Å
205	K	62.3	Low	68.2	Low	108 Å²	108	74.4 Å²	74.4	47%	0.47	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-64.5	123.8	177.2	-78.5	-178	177.6	168.1	0	107.8	N203 Y341	N203-K205 VanDerWaalsContact C-N 3.3Å; N203-K205 PolarHBondContact O-N 3.5Å; K205-Y341 WeakPolarHBondContact CE-OH 3.42Å; K205-Y341 PolarHBondContact NZ-OH 3.47Å
206	T	73.7	Confident	70	Confident	124 Å²	124	76.6 Å²	76.6	76%	0.761	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-52.9	134.2	162.7	-52.4	0	0	0	0	107.8	R204 S208	R204-T206 PolarHBondContact O-N 3.15Å; T206-S208 PolarHBondContact O-N 3.2Å
207	P	80	Confident	71.7	Confident	38 Å²	38	83.5 Å²	83.5	25%	0.247	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-48.6	136.1	175.6	-30.9	37.4	0	0	0	111.5	L211 I212 K348	P207-L211 HydrophobicContact CB-CD2 3.88Å; P207-L211 HydrophobicContact CB-CG 4.27Å; P207-I212 HydrophobicContact CB-CD1 4.29Å; P207-I212 HydrophobicContact CB-CG1 3.81Å; P207-K348 HydrophobicContact CB-CG 4.31Å; P207-K348 HydrophobicContact CG-CB 4.44Å; P207-K348 HydrophobicContact CG-CG 4.01Å
208	S	85.3	Confident	73.7	Confident	55 Å²	55	81 Å²	81	39%	0.385	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-64.3	160	175.9	89.1	0	0	0	0	110.5	T206 E210 L211 I212	T206-S208 PolarHBondContact O-N 3.2Å; S208-E210 WeakPolarHBondContact CB-OE2 3.27Å; S208-E210 PolarHBondContact O-N 2.65Å; S208-E210 PolarHBondContact OG-N 2.88Å; S208-E210 PolarHBondContact OG-OE2 3.22Å; S208-L211 PolarHBondContact O-N 3.43Å; S208-L211 VanDerWaalsContact O-N 3.13Å; S208-L211 PolarHBondContact OG-N 2.99Å; S208-L211 VanDerWaalsContact OG-N 3.13Å; S208-I212 WeakPolarHBondContact O-CG1 3.29Å; S208-I212 PolarHBondContact O-N 3.38Å
209	K	88.8	Confident	75.7	Confident	177 Å²	177	82 Å²	82	77%	0.77	46%	0.457	S	S	*	.	H	α-helix	trans	-59.8	-36.6	177.7	-71.2	-176.4	178.3	179.6	0	111.5	I212 S213	K209-I212 PolarHBondContact O-N 2.94Å; K209-S213 WeakPolarHBondContact O-CB 2.95Å; K209-S213 PolarHBondContact O-N 3.18Å
210	E	89.4	Confident	78	Confident	137 Å²	137	85.9 Å²	85.9	64%	0.64	48%	0.476	S	S	*	.	H	α-helix	trans	-64.5	-45.7	176.2	-56.1	73.4	-158.1	0	0	110.6	S208 I212 S213 L214	S208-E210 WeakPolarHBondContact CB-OE2 3.27Å; S208-E210 PolarHBondContact O-N 2.65Å; S208-E210 PolarHBondContact OG-N 2.88Å; S208-E210 PolarHBondContact OG-OE2 3.22Å; E210-I212 PolarHBondContact O-N 2.67Å; E210-S213 PolarHBondContact O-N 2.64Å; E210-L214 WeakPolarHBondContact O-CB 3.35Å; E210-L214 PolarHBondContact O-N 3.24Å
211	L	88.8	Confident	80.6	Confident	21 Å²	21	85 Å²	85	11%	0.11	46%	0.462	C	S	.	.	H	α-helix	trans	-63.4	-41.5	176.7	179	59.9	0	0	0	111.8	P207 S208 L214 T215 K348 L349 L352	P207-L211 HydrophobicContact CB-CD2 3.88Å; P207-L211 HydrophobicContact CB-CG 4.27Å; S208-L211 PolarHBondContact O-N 3.43Å; S208-L211 VanDerWaalsContact O-N 3.13Å; S208-L211 PolarHBondContact OG-N 2.99Å; S208-L211 VanDerWaalsContact OG-N 3.13Å; L211-L214 PolarHBondContact O-N 2.89Å; L211-T215 HydrophobicContact CD1-CG2 3.95Å; L211-T215 WeakPolarHBondContact O-CB 3.28Å; L211-T215 WeakPolarHBondContact O-CG2 3.25Å; L211-T215 PolarHBondContact O-N 2.82Å; L211-T215 PolarHBondContact O-OG1 3.43Å; L211-K348 HydrophobicContact CD1-CB 4.33Å; L211-K348 HydrophobicContact CD2-CB 4.06Å; L211-K348 HydrophobicContact CG-CB 4Å; L211-L349 HydrophobicContact CD1-CD2 3.81Å; L211-L349 HydrophobicContact CD2-CD2 3.71Å; L211-L349 HydrophobicContact CD2-CG 3.77Å; L211-L349 HydrophobicContact CG-CD2 4.45Å; L211-L352 HydrophobicContact CD1-CD1 3.36Å
212	I	89.2	Confident	82.8	Confident	89 Å²	89	84 Å²	84	46%	0.456	45%	0.454	S	S	.	.	H	α-helix	trans	-61.6	-46.5	174.9	-66.7	167.8	0	0	0	110.2	P207 S208 K209 E210 L214 T215 G216	P207-I212 HydrophobicContact CB-CD1 4.29Å; P207-I212 HydrophobicContact CB-CG1 3.81Å; S208-I212 WeakPolarHBondContact O-CG1 3.29Å; S208-I212 PolarHBondContact O-N 3.38Å; K209-I212 PolarHBondContact O-N 2.94Å; E210-I212 PolarHBondContact O-N 2.67Å; I212-L214 PolarHBondContact O-N 3.07Å; I212-T215 PolarHBondContact O-N 2.88Å; I212-T215 PolarHBondContact O-OG1 3.38Å; I212-G216 PolarHBondContact O-N 3.2Å
213	S	90.3	Very high	85.4	Confident	89 Å²	89	78.8 Å²	78.8	62%	0.622	43%	0.427	S	S	*	.	H	α-helix	trans	-62.4	-41.9	178.1	-172.6	0	0	0	0	112.2	K209 E210 G216	K209-S213 WeakPolarHBondContact O-CB 2.95Å; K209-S213 PolarHBondContact O-N 3.18Å; E210-S213 PolarHBondContact O-N 2.64Å; S213-G216 PolarHBondContact O-N 3.43Å
214	L	88.8	Confident	87.8	Confident	109 Å²	109	76.7 Å²	76.7	57%	0.571	41%	0.414	S	S	*	.	H	α-helix	trans	-65.6	-42.2	178.9	-178.2	64	0	0	0	111.2	E210 L211 I212 G216 L352	E210-L214 WeakPolarHBondContact O-CB 3.35Å; E210-L214 PolarHBondContact O-N 3.24Å; L211-L214 PolarHBondContact O-N 2.89Å; I212-L214 PolarHBondContact O-N 3.07Å; L214-G216 VanDerWaalsContact C-N 3.35Å; L214-L352 HydrophobicContact CD2-CD1 3.85Å; L214-L352 HydrophobicContact CD2-CD2 4.21Å; L214-L352 HydrophobicContact CG-CD1 4.44Å; L214-L352 HydrophobicContact CG-CD2 4.21Å
215	T	90.8	Very high	89.7	Confident	8 Å²	8	74.3 Å²	74.3	5%	0.049	41%	0.408	C	S	.	.	H	α-helix	trans	-80.4	-13	-179	55.5	0	0	0	0	114.4	L211 I212 N217 L218 K348 L352	L211-T215 HydrophobicContact CD1-CG2 3.95Å; L211-T215 WeakPolarHBondContact O-CB 3.28Å; L211-T215 WeakPolarHBondContact O-CG2 3.25Å; L211-T215 PolarHBondContact O-N 2.82Å; L211-T215 PolarHBondContact O-OG1 3.43Å; I212-T215 PolarHBondContact O-N 2.88Å; I212-T215 PolarHBondContact O-OG1 3.38Å; T215-N217 PolarHBondContact O-N 3.09Å; T215-L218 HydrophobicContact CG2-CD1 3.8Å; T215-L218 WeakPolarHBondContact O-CB 3.44Å; T215-L218 WeakPolarHBondContact O-CG 3.44Å; T215-L218 PolarHBondContact O-N 3.43Å; T215-L218 VanDerWaalsContact O-N 3.11Å; T215-K348 HydrophobicContact CG2-CB 3.85Å; T215-K348 HydrophobicContact CG2-CD 4.39Å; T215-L352 HydrophobicContact CG2-CD1 3.62Å; T215-L352 HydrophobicContact CG2-CD2 3.96Å; T215-L352 HydrophobicContact CG2-CG 3.54Å
216	G	90.2	Very high	91.3	Very high	60 Å²	60	72.8 Å²	72.8	62%	0.619	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21	179	0	0	0	0	0	114.5	I212 S213 L214	I212-G216 PolarHBondContact O-N 3.2Å; S213-G216 PolarHBondContact O-N 3.43Å; L214-G216 VanDerWaalsContact C-N 3.35Å
217	N	89.7	Confident	92.5	Very high	151 Å²	151	67.4 Å²	67.4	81%	0.807	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	0.7	177.9	-64.8	-37.1	0	0	0	113.8	T215	T215-N217 PolarHBondContact O-N 3.09Å
218	L	94.4	Very high	93.1	Very high	40 Å²	40	70 Å²	70	21%	0.209	40%	0.396	C	S	.	.	S	Bend	trans	-68.8	147.5	177.3	-62.5	-179.9	0	0	0	110.3	T215 Q351 L352 I355	T215-L218 HydrophobicContact CG2-CD1 3.8Å; T215-L218 WeakPolarHBondContact O-CB 3.44Å; T215-L218 WeakPolarHBondContact O-CG 3.44Å; T215-L218 PolarHBondContact O-N 3.43Å; T215-L218 VanDerWaalsContact O-N 3.11Å; L218-Q351 HydrophobicContact CD1-CB 3.72Å; L218-L352 HydrophobicContact CD1-CD2 3.92Å; L218-L352 HydrophobicContact CD1-CG 4.18Å; L218-L352 HydrophobicContact CD2-CD2 4.13Å; L218-L352 HydrophobicContact CG-CD2 4.45Å; L218-I355 HydrophobicContact CB-CD1 4.19Å; L218-I355 HydrophobicContact CD1-CD1 4.29Å; L218-I355 HydrophobicContact CD2-CD1 3.84Å; L218-I355 HydrophobicContact CG-CD1 4.31Å
219	P	95.8	Very high	93.5	Very high	59 Å²	59	73.3 Å²	73.3	38%	0.383	41%	0.409	S	S	.	.			trans	-59.7	149.3	176.7	27.7	-36.1	0	0	0	110.6	E221 F222 I355 Y405	P219-E221 WeakPolarHBondContact CB-O 3.25Å; P219-E221 PolarHBondContact O-N 2.94Å; P219-F222 HydrophobicContact CG-CB 4.26Å; P219-F222 HydrophobicContact CG-CD2 4.19Å; P219-I355 HydrophobicContact CG-CD1 3.92Å; P219-Y405 VanDerWaalsContact O-CE2 3.23Å; P219-Y405 WeakPolarHBondContact O-CE2 3.3Å; P219-Y405 PolarHBondContact O-OH 2.93Å
220	L	94.8	Very high	93.8	Very high	115 Å²	115	68.3 Å²	68.3	60%	0.602	41%	0.407	S	S	*	.	S	Bend	trans	-62.8	-30	177.1	-176.2	63.1	0	0	0	112.1	Y405 V407	L220-Y405 WeakPolarHBondContact O-CD2 3.03Å; L220-Y405 VanDerWaalsContact O-CE2 3.32Å; L220-Y405 WeakPolarHBondContact O-CE2 3.11Å; L220-V407 HydrophobicContact CD1-CG2 3.75Å; L220-V407 HydrophobicContact CD2-CG2 4.3Å; L220-V407 HydrophobicContact CG-CG2 3.93Å
221	E	97.1	Very high	94.1	Very high	69 Å²	69	64.1 Å²	64.1	32%	0.322	39%	0.393	S	S	.	.			trans	-138.4	140.3	-178.6	-45.1	-170.2	137.4	0	0	109.6	P219 Y405 V407 K409	P219-E221 WeakPolarHBondContact CB-O 3.25Å; P219-E221 PolarHBondContact O-N 2.94Å; E221-Y405 CarbonylContact C-O 3.42Å; E221-Y405 WeakPolarHBondContact CA-O 3.15Å; E221-V407 PolarHBondContact OE1-N 3.32Å; E221-K409 IonicContact OE1-NZ 2.67Å; E221-K409 PolarHBondContact OE1-NZ 2.81Å; E221-K409 IonicContact OE2-NZ 2.79Å; E221-K409 PolarHBondContact OE2-NZ 3.18Å
222	F	98.3	Very high	94.5	Very high	23 Å²	23	69.7 Å²	69.7	10%	0.101	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	132.7	178.6	-173	-85.5	0	0	0	109.2	P219 W224 P228 L354 I355 G404 Y405	P219-F222 HydrophobicContact CG-CB 4.26Å; P219-F222 HydrophobicContact CG-CD2 4.19Å; F222-W224 AromaticContact CE1-CD1 3.69Å; F222-W224 AromaticContact CE1-CD2 3.72Å; F222-W224 HydrophobicContact CE1-CD2 3.72Å; F222-W224 AromaticContact CE1-CE2 3.41Å; F222-W224 VanDerWaalsContact CE1-CE2 3.41Å; F222-W224 HydrophobicContact CE1-CE3 4.4Å; F222-W224 AromaticContact CE1-CG 3.93Å; F222-W224 HydrophobicContact CE1-CG 3.93Å; F222-W224 AromaticContact CE1-CZ2 3.87Å; F222-W224 HydrophobicContact CE1-CZ2 3.87Å; F222-W224 AromaticContact CE1-NE1 3.39Å; F222-W224 HydrophobicContact CZ-CD2 4.01Å; F222-W224 AromaticContact CZ-CE2 3.64Å; F222-W224 HydrophobicContact CZ-CE3 4.29Å; F222-W224 AromaticContact CZ-CH2 3.93Å; F222-W224 HydrophobicContact CZ-CH2 3.93Å; F222-W224 AromaticContact CZ-CZ2 3.62Å; F222-W224 HydrophobicContact CZ-CZ2 3.62Å; F222-W224 HydrophobicContact CZ-CZ3 4.24Å; F222-P228 HydrophobicContact CD2-CG 4.03Å; F222-P228 HydrophobicContact CE2-CG 4.3Å; F222-L354 HydrophobicContact CD1-CD2 4.23Å; F222-L354 HydrophobicContact CD1-CG 4.38Å; F222-I355 HydrophobicContact CB-CD1 4.43Å; F222-I355 HydrophobicContact CB-CG1 4.35Å; F222-I355 HydrophobicContact CD1-CG1 4.02Å; F222-I355 HydrophobicContact CD2-CD1 4.31Å; F222-I355 HydrophobicContact CD2-CG1 3.91Å; F222-I355 HydrophobicContact CE1-CG1 4.33Å; F222-I355 HydrophobicContact CE2-CG1 4.21Å; F222-I355 HydrophobicContact CG-CD1 4.3Å; F222-I355 HydrophobicContact CG-CG1 3.8Å; F222-I355 HydrophobicContact CZ-CG1 4.42Å; F222-G404 CarbonylContact O-C 3.6Å; F222-G404 WeakPolarHBondContact O-CA 3.43Å; F222-Y405 HydrophobicContact CB-CD1 4.21Å; F222-Y405 HydrophobicContact CB-CE1 3.67Å; F222-Y405 HydrophobicContact CB-CE2 4.46Å; F222-Y405 PolarHBondContact N-O 3.19Å; F222-Y405 PolarHBondContact O-N 2.79Å
223	D	98.5	Very high	95	Very high	26 Å²	26	67 Å²	67	14%	0.139	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	113.1	-175.6	-171.4	-15.3	0	0	0	111.3	T225 S226 P227 K417	D223-T225 PolarHBondContact O-N 3.44Å; D223-T225 WeakPolarHBondContact OD1-CA 3.37Å; D223-T225 VanDerWaalsContact OD1-CB 3.29Å; D223-T225 WeakPolarHBondContact OD1-CB 3.27Å; D223-T225 WeakPolarHBondContact OD1-CG2 3.23Å; D223-T225 PolarHBondContact OD1-N 2.97Å; D223-T225 PolarHBondContact OD1-OG1 2.95Å; D223-T225 PolarHBondContact OD2-OG1 3.28Å; D223-T225 VanDerWaalsContact OD2-OG1 3.06Å; D223-S226 CarbonylContact O-C 3.54Å; D223-S226 PolarHBondContact O-N 2.84Å; D223-S226 VanDerWaalsContact O-N 3.17Å; D223-S226 VanDerWaalsContact O-O 3.05Å; D223-P227 WeakPolarHBondContact O-CA 3.34Å; D223-K417 IonicContact OD1-NZ 3.23Å; D223-K417 WeakPolarHBondContact OD2-CD 3.48Å; D223-K417 WeakPolarHBondContact OD2-CE 3.29Å; D223-K417 IonicContact OD2-NZ 3.05Å; D223-K417 PolarHBondContact OD2-NZ 3.06Å
224	W	98.6	Very high	95.4	Very high	28 Å²	28	62.8 Å²	62.8	11%	0.106	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.2	176.7	-77.8	117.3	0	0	0	113.6	F222 S226 P227 S233 P234 V235 L262 L354 P359 V403	F222-W224 AromaticContact CE1-CD1 3.69Å; F222-W224 AromaticContact CE1-CD2 3.72Å; F222-W224 HydrophobicContact CE1-CD2 3.72Å; F222-W224 AromaticContact CE1-CE2 3.41Å; F222-W224 VanDerWaalsContact CE1-CE2 3.41Å; F222-W224 HydrophobicContact CE1-CE3 4.4Å; F222-W224 AromaticContact CE1-CG 3.93Å; F222-W224 HydrophobicContact CE1-CG 3.93Å; F222-W224 AromaticContact CE1-CZ2 3.87Å; F222-W224 HydrophobicContact CE1-CZ2 3.87Å; F222-W224 AromaticContact CE1-NE1 3.39Å; F222-W224 HydrophobicContact CZ-CD2 4.01Å; F222-W224 AromaticContact CZ-CE2 3.64Å; F222-W224 HydrophobicContact CZ-CE3 4.29Å; F222-W224 AromaticContact CZ-CH2 3.93Å; F222-W224 HydrophobicContact CZ-CH2 3.93Å; F222-W224 AromaticContact CZ-CZ2 3.62Å; F222-W224 HydrophobicContact CZ-CZ2 3.62Å; F222-W224 HydrophobicContact CZ-CZ3 4.24Å; W224-S226 VanDerWaalsContact C-N 3.26Å; W224-P227 HydrophobicContact CE3-CG 4.33Å; W224-S233 WeakPolarHBondContact O-CB 3.5Å; W224-S233 PolarHBondContact O-OG 3.11Å; W224-P234 HydrophobicContact CB-CG 4.17Å; W224-P234 HydrophobicContact CD2-CG 4.05Å; W224-P234 HydrophobicContact CE3-CG 3.7Å; W224-P234 HydrophobicContact CG-CG 4.3Å; W224-P234 HydrophobicContact CZ3-CG 4.43Å; W224-P234 WeakPolarHBondContact O-CD 3.07Å; W224-V235 HydrophobicContact CB-CG2 3.72Å; W224-L262 HydrophobicContact CE3-CD2 4.17Å; W224-L262 HydrophobicContact CH2-CD1 4.12Å; W224-L262 HydrophobicContact CH2-CD2 3.74Å; W224-L262 HydrophobicContact CZ2-CD1 4.04Å; W224-L262 HydrophobicContact CZ2-CD2 4.48Å; W224-L262 HydrophobicContact CZ3-CD1 4.44Å; W224-L262 HydrophobicContact CZ3-CD2 3.57Å; W224-L354 PolarHBondContact NE1-O 2.78Å; W224-P359 HydrophobicContact CB-CG 3.97Å; W224-P359 VanDerWaalsContact CD1-CD 3.44Å; W224-P359 HydrophobicContact CG-CG 3.89Å; W224-V403 WeakPolarHBondContact CB-O 3.49Å; W224-V403 PolarHBondContact N-O 2.83Å
225	T	98.3	Very high	95.8	Very high	34 Å²	34	58.2 Å²	58.2	21%	0.209	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-24.2	174.4	69.9	0	0	0	0	112.1	D223 S233 V235 V403 K417 Y431	D223-T225 PolarHBondContact O-N 3.44Å; D223-T225 WeakPolarHBondContact OD1-CA 3.37Å; D223-T225 VanDerWaalsContact OD1-CB 3.29Å; D223-T225 WeakPolarHBondContact OD1-CB 3.27Å; D223-T225 WeakPolarHBondContact OD1-CG2 3.23Å; D223-T225 PolarHBondContact OD1-N 2.97Å; D223-T225 PolarHBondContact OD1-OG1 2.95Å; D223-T225 PolarHBondContact OD2-OG1 3.28Å; D223-T225 VanDerWaalsContact OD2-OG1 3.06Å; T225-S233 WeakPolarHBondContact O-CB 3.21Å; T225-V235 HydrophobicContact CG2-CB 4.25Å; T225-V235 HydrophobicContact CG2-CG1 4.25Å; T225-V235 HydrophobicContact CG2-CG2 4.07Å; T225-V403 HydrophobicContact CG2-CB 4.25Å; T225-V403 HydrophobicContact CG2-CG2 3.95Å; T225-K417 PolarHBondContact OG1-NZ 3.25Å; T225-Y431 HydrophobicContact CG2-CE1 3.71Å
226	S	97.7	Very high	96.2	Very high	76 Å²	76	58.1 Å²	58.1	53%	0.531	35%	0.348	S	S	.	.	S	Bend	trans	-143.5	77.1	175.7	55.7	0	0	0	0	109.7	D223 W224	D223-S226 CarbonylContact O-C 3.54Å; D223-S226 PolarHBondContact O-N 2.84Å; D223-S226 VanDerWaalsContact O-N 3.17Å; D223-S226 VanDerWaalsContact O-O 3.05Å; W224-S226 VanDerWaalsContact C-N 3.26Å
227	P	97.2	Very high	96.5	Very high	12 Å²	12	60.1 Å²	60.1	8%	0.078	35%	0.35	C	S	.	.			trans	-52.4	134.9	-174	-30.1	37.7	0	0	0	113	D223 W224 D229 G230 S231	D223-P227 WeakPolarHBondContact O-CA 3.34Å; W224-P227 HydrophobicContact CE3-CG 4.33Å; P227-D229 WeakPolarHBondContact CB-OD1 3.32Å; P227-D229 PolarHBondContact O-N 2.8Å; P227-D229 VanDerWaalsContact O-N 3.16Å; P227-G230 PolarHBondContact O-N 3.04Å; P227-S231 WeakPolarHBondContact CB-OG 3.21Å; P227-S231 WeakPolarHBondContact CG-O 3.49Å
228	P	92.7	Very high	96.9	Very high	92 Å²	92	54.3 Å²	54.3	60%	0.597	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.7	-175	-26.1	34.5	0	0	0	115.3	F222 G230	F222-P228 HydrophobicContact CD2-CG 4.03Å; F222-P228 HydrophobicContact CE2-CG 4.3Å; P228-G230 VanDerWaalsContact C-N 3.27Å
229	D	94.2	Very high	97	Very high	125 Å²	125	54.5 Å²	54.5	67%	0.668	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	1.8	178	67.1	-13.2	0	0	0	113.3	P227 S231	P227-D229 WeakPolarHBondContact CB-OD1 3.32Å; P227-D229 PolarHBondContact O-N 2.8Å; P227-D229 VanDerWaalsContact O-N 3.16Å; D229-S231 PolarHBondContact O-N 2.69Å; D229-S231 WeakPolarHBondContact OD1-CB 3.39Å; D229-S231 PolarHBondContact OD1-N 2.78Å; D229-S231 PolarHBondContact OD1-OG 3.5Å; D229-S231 PolarHBondContact OD2-OG 2.86Å
230	G	95.5	Very high	97.1	Very high	71 Å²	71	55.9 Å²	55.9	73%	0.732	32%	0.321	S	S	*	.	S	Bend	trans	75.5	7.7	-176.7	0	0	0	0	0	114	P227 P228	P227-G230 PolarHBondContact O-N 3.04Å; P228-G230 VanDerWaalsContact C-N 3.27Å
231	S	96	Very high	97.1	Very high	49 Å²	49	50.5 Å²	50.5	34%	0.343	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-66.4	167	174.9	66.8	0	0	0	0	112	P227 D229	P227-S231 WeakPolarHBondContact CB-OG 3.21Å; P227-S231 WeakPolarHBondContact CG-O 3.49Å; D229-S231 PolarHBondContact O-N 2.69Å; D229-S231 WeakPolarHBondContact OD1-CB 3.39Å; D229-S231 PolarHBondContact OD1-N 2.78Å; D229-S231 PolarHBondContact OD1-OG 3.5Å; D229-S231 PolarHBondContact OD2-OG 2.86Å
232	R	97.4	Very high	97	Very high	138 Å²	138	48.2 Å²	48.2	52%	0.521	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-67.1	137.1	-179.8	-173.9	175.1	-179	-158.2	-4.5	110.4	P234 F266 Q269	R232-P234 WeakPolarHBondContact O-CD 3.36Å; R232-F266 HydrophobicContact CB-CE1 4.08Å; R232-F266 HydrophobicContact CB-CE2 4.11Å; R232-F266 HydrophobicContact CB-CZ 3.82Å; R232-F266 HydrophobicContact CG-CD1 4.25Å; R232-F266 HydrophobicContact CG-CE1 3.74Å; R232-F266 HydrophobicContact CG-CZ 3.99Å; R232-F266 WeakPolarHBondContact O-CZ 3.32Å; R232-Q269 VanDerWaalsContact NH1-CD 3.26Å; R232-Q269 VanDerWaalsContact NH1-NE2 3.15Å
233	S	98.4	Very high	96.7	Very high	33 Å²	33	50 Å²	50	23%	0.231	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-64	126.5	172.8	170.6	0	0	0	0	112	W224 T225 V235	W224-S233 WeakPolarHBondContact O-CB 3.5Å; W224-S233 PolarHBondContact O-OG 3.11Å; T225-S233 WeakPolarHBondContact O-CB 3.21Å; S233-V235 VanDerWaalsContact C-N 3.29Å; S233-V235 PolarHBondContact OG-N 2.77Å
234	P	98.4	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.293	C	S	.	.			trans	-77.9	-13.4	171.2	34.5	-39.2	0	0	0	112.5	W224 R232 T236 A258 R261 L262 F266	W224-P234 HydrophobicContact CB-CG 4.17Å; W224-P234 HydrophobicContact CD2-CG 4.05Å; W224-P234 HydrophobicContact CE3-CG 3.7Å; W224-P234 HydrophobicContact CG-CG 4.3Å; W224-P234 HydrophobicContact CZ3-CG 4.43Å; W224-P234 WeakPolarHBondContact O-CD 3.07Å; R232-P234 WeakPolarHBondContact O-CD 3.36Å; P234-T236 PolarHBondContact O-N 2.93Å; P234-A258 HydrophobicContact CB-CB 4.13Å; P234-A258 WeakPolarHBondContact O-CA 3.5Å; P234-R261 HydrophobicContact CB-CB 4.11Å; P234-R261 WeakPolarHBondContact O-CD 2.69Å; P234-R261 PolarHBondContact O-NH1 3Å; P234-L262 HydrophobicContact CB-CD1 4.41Å; P234-L262 HydrophobicContact CB-CD2 3.98Å; P234-L262 HydrophobicContact CB-CG 3.84Å; P234-L262 HydrophobicContact CG-CD1 4.22Å; P234-L262 HydrophobicContact CG-CD2 3.89Å; P234-L262 HydrophobicContact CG-CG 4.03Å; P234-F266 HydrophobicContact CB-CZ 4.18Å
235	V	98.6	Very high	96.3	Very high	13 Å²	13	47.7 Å²	47.7	8%	0.079	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-73.4	129.3	-173.4	-174.7	0	0	0	0	110.7	W224 T225 S233 P359 V403 K419	W224-V235 HydrophobicContact CB-CG2 3.72Å; T225-V235 HydrophobicContact CG2-CB 4.25Å; T225-V235 HydrophobicContact CG2-CG1 4.25Å; T225-V235 HydrophobicContact CG2-CG2 4.07Å; S233-V235 VanDerWaalsContact C-N 3.29Å; S233-V235 PolarHBondContact OG-N 2.77Å; V235-P359 HydrophobicContact CG2-CG 4.09Å; V235-V403 HydrophobicContact CG1-CG1 4.14Å; V235-V403 HydrophobicContact CG2-CB 4.36Å; V235-V403 HydrophobicContact CG2-CG1 4.07Å; V235-K419 HydrophobicContact CG1-CD 3.89Å
236	T	97.8	Very high	96.1	Very high	6 Å²	6	46 Å²	46	4%	0.037	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-73.3	164.3	175.9	47.1	0	0	0	0	112.4	P234 E257 R261 I271 K419	P234-T236 PolarHBondContact O-N 2.93Å; T236-E257 WeakPolarHBondContact CB-OE2 3.24Å; T236-E257 HydrophobicContact CG2-CB 3.85Å; T236-E257 HydrophobicContact CG2-CG 4.25Å; T236-E257 VanDerWaalsContact CG2-OE2 3.23Å; T236-E257 WeakPolarHBondContact CG2-OE2 3.1Å; T236-E257 PolarHBondContact OG1-OE2 2.88Å; T236-R261 VanDerWaalsContact CG2-NH1 3.31Å; T236-R261 VanDerWaalsContact CG2-NH2 3.33Å; T236-I271 HydrophobicContact CG2-CD1 3.59Å; T236-K419 VanDerWaalsContact C-NZ 3.33Å; T236-K419 PolarHBondContact O-NZ 2.61Å; T236-K419 PolarHBondContact OG1-NZ 2.91Å
237	P	96.9	Very high	96.1	Very high	102 Å²	102	42.6 Å²	42.6	66%	0.662	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-57	160.6	171.1	-26.5	36	0	0	0	113.9	K419	P237-K419 WeakPolarHBondContact O-CE 2.99Å; P237-K419 PolarHBondContact O-NZ 3Å
238	I	98.4	Very high	96	Very high	29 Å²	29	42 Å²	42	15%	0.149	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-62.4	140	175.9	-62.3	-59.6	0	0	0	111	K419 V424 Q429 Y431	I238-K419 HydrophobicContact CD1-CD 4.2Å; I238-K419 HydrophobicContact CD1-CG 3.62Å; I238-V424 HydrophobicContact CB-CG1 3.65Å; I238-V424 HydrophobicContact CG1-CG1 3.97Å; I238-V424 HydrophobicContact CG2-CG1 4.04Å; I238-Q429 WeakPolarHBondContact CG1-O 3.25Å; I238-Y431 HydrophobicContact CD1-CD2 3.93Å; I238-Y431 HydrophobicContact CD1-CE1 4.34Å; I238-Y431 HydrophobicContact CD1-CE2 3.51Å; I238-Y431 HydrophobicContact CD1-CG 4.5Å; I238-Y431 HydrophobicContact CG1-CE2 4.03Å
239	R	97.3	Very high	96.2	Very high	45 Å²	45	37.7 Å²	37.7	17%	0.17	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-100.2	164.6	171.5	-70.3	178.8	164	101.3	3.4	110.3	E257 L272 S421 G423	R239-E257 IonicContact CZ-OE1 3.92Å; R239-E257 IonicContact CZ-OE2 2.96Å; R239-E257 IonicContact NH1-OE1 3.28Å; R239-E257 IonicContact NH1-OE2 2.78Å; R239-E257 PolarHBondContact NH1-OE2 3.33Å; R239-E257 IonicContact NH2-OE1 3.84Å; R239-E257 PolarHBondContact NH2-OE1 3.36Å; R239-E257 IonicContact NH2-OE2 3.6Å; R239-E257 PolarHBondContact NH2-OE2 3.36Å; R239-L272 PolarHBondContact NH2-O 2.86Å; R239-S421 CarbonylContact O-C 3.4Å; R239-S421 WeakPolarHBondContact O-CA 3.46Å; R239-G423 PolarHBondContact O-N 2.91Å; R239-G423 VanDerWaalsContact O-N 3.11Å
240	N	96.9	Very high	96.3	Very high	88 Å²	88	32 Å²	32	47%	0.471	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-127.5	112.9	168.2	-169.3	-15.3	0	0	0	109.3	G242 Y313 S421	N240-G242 VanDerWaalsContact C-N 3.3Å; N240-G242 PolarHBondContact OD1-N 3.49Å; N240-Y313 WeakPolarHBondContact O-CE1 3.49Å; N240-S421 CarbonylContact C-O 2.95Å; N240-S421 VanDerWaalsContact CA-O 3.32Å; N240-S421 WeakPolarHBondContact CA-O 3.31Å
241	Q	95.8	Very high	96.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.158	C	C	.	.			trans	-79.2	-14.5	179.7	76.4	-172	76.4	0	0	112.9	R188 C244 Y313 H398 S421	R188-Q241 PolarHBondContact O-NE2 3.2Å; R188-Q241 VanDerWaalsContact O-NE2 3.09Å; Q241-C244 PolarHBondContact NE2-O 3.06Å; Q241-Y313 WeakPolarHBondContact CA-OH 3.26Å; Q241-Y313 PolarHBondContact O-OH 2.87Å; Q241-H398 PolarHBondContact OE1-CE1 2.93Å; Q241-S421 WeakPolarHBondContact CG-O 3.47Å; Q241-S421 PolarHBondContact N-O 2.82Å; Q241-S421 PolarHBondContact OE1-OG 3.01Å
242	G	94.5	Very high	96.6	Very high	22 Å²	22	26.5 Å²	26.5	23%	0.227	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	-137.4	-173.7	0	0	0	0	0	112.1	R188 N240	R188-G242 WeakPolarHBondContact CG-O 3.37Å; N240-G242 VanDerWaalsContact C-N 3.3Å; N240-G242 PolarHBondContact OD1-N 3.49Å
243	I	92.6	Very high	96.7	Very high	61 Å²	61	20 Å²	20	31%	0.313	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.7	179	58.7	156.4	0	0	0	113.6	Y180 E184 N187 R188	Y180-I243 HydrophobicContact CD1-CG2 3.45Å; Y180-I243 VanDerWaalsContact CD1-CG2 3.45Å; Y180-I243 HydrophobicContact CE1-CG2 3.51Å; Y180-I243 HydrophobicContact CG-CG2 4.2Å; E184-I243 HydrophobicContact CB-CB 4.07Å; E184-I243 HydrophobicContact CB-CG2 3.82Å; E184-I243 HydrophobicContact CG-CB 4.13Å; E184-I243 HydrophobicContact CG-CD1 3.92Å; E184-I243 HydrophobicContact CG-CG2 4.09Å; N187-I243 WeakPolarHBondContact CB-O 3.27Å; R188-I243 PolarHBondContact N-O 2.93Å
244	C	94.1	Very high	96.7	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.027	11%	0.108	C	C	.	.	S	Bend	trans	-73.3	133.7	-178.9	-177.8	0	0	0	0	110.7	Q241 S246 C287 G315	Q241-C244 PolarHBondContact NE2-O 3.06Å; C244-S246 PolarHBondContact O-N 3.23Å; C244-C287 HydrophobicContact CB-CB 3.98Å; C244-C287 WeakPolarHBondContact CB-SG 3.47Å; C244-C287 WeakPolarHBondContact SG-CA 3.43Å; C244-C287 WeakPolarHBondContact SG-CB 3.42Å; C244-C287 CovalentContact SG-SG 2.04Å; C244-C287 PolarHBondContact SG-SG 2.79Å; C244-G315 VanDerWaalsContact CB-O 3.3Å; C244-G315 WeakPolarHBondContact CB-O 3.23Å
245	G	92.9	Very high	96.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.			trans	-75	42.9	173.2	0	0	0	0	0	114.1	N187 C247 Y248 C287	N187-G245 WeakPolarHBondContact O-CA 3.36Å; N187-G245 PolarHBondContact O-N 3.11Å; G245-C247 VanDerWaalsContact C-N 3.27Å; G245-C247 PolarHBondContact O-N 2.98Å; G245-Y248 WeakPolarHBondContact O-CD1 3.39Å; G245-Y248 WeakPolarHBondContact O-CE1 3.3Å; G245-C287 WeakPolarHBondContact CA-O 3.4Å; G245-C287 PolarHBondContact N-O 3.15Å
246	S	95.4	Very high	96.7	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.105	C	C	.	.			trans	-91.3	21	179.7	64.5	0	0	0	0	113.2	C244 Y248 A249 S250 Y313	C244-S246 PolarHBondContact O-N 3.23Å; S246-Y248 PolarHBondContact O-N 3.36Å; S246-A249 PolarHBondContact O-N 3.09Å; S246-S250 PolarHBondContact O-N 2.85Å; S246-Y313 PolarHBondContact OG-OH 3.26Å
247	C	96.3	Very high	96.7	Very high	4 Å²	4	17.7 Å²	17.7	3%	0.027	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.9	-179.9	65.6	0	0	0	0	112.8	G245 P251 H398 A399	G245-C247 VanDerWaalsContact C-N 3.27Å; G245-C247 PolarHBondContact O-N 2.98Å; C247-P251 WeakPolarHBondContact O-CD 3.46Å; C247-P251 WeakPolarHBondContact O-CG 3.42Å; C247-H398 WeakPolarHBondContact CB-CE1 3.12Å; C247-H398 WeakPolarHBondContact CB-ND1 3.17Å; C247-A399 HydrophobicContact CB-CB 4.35Å; C247-A399 WeakPolarHBondContact O-CB 3.2Å
248	Y	95.4	Very high	96.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-25.9	177.2	62.6	-94.5	0	0	0	113	G245 S246 S252 V277 S284 G286 G289 G290 I295	G245-Y248 WeakPolarHBondContact O-CD1 3.39Å; G245-Y248 WeakPolarHBondContact O-CE1 3.3Å; S246-Y248 PolarHBondContact O-N 3.36Å; Y248-S252 WeakPolarHBondContact O-CB 3.4Å; Y248-S252 PolarHBondContact O-OG 2.85Å; Y248-V277 HydrophobicContact CD2-CG1 4.48Å; Y248-V277 HydrophobicContact CE2-CG1 3.8Å; Y248-S284 VanDerWaalsContact CE2-CB 3.46Å; Y248-S284 WeakPolarHBondContact CE2-OG 3.03Å; Y248-S284 PolarHBondContact OH-OG 3.43Å; Y248-G286 WeakPolarHBondContact CE1-O 3.35Å; Y248-G286 WeakPolarHBondContact OH-CA 3.43Å; Y248-G286 PolarHBondContact OH-N 3.34Å; Y248-G286 PolarHBondContact OH-O 2.92Å; Y248-G289 VanDerWaalsContact CD1-C 3.48Å; Y248-G289 VanDerWaalsContact CE1-O 3.26Å; Y248-G289 WeakPolarHBondContact CE1-O 3.11Å; Y248-G290 VanDerWaalsContact CB-C 3.42Å; Y248-G290 VanDerWaalsContact CB-O 3.3Å; Y248-G290 WeakPolarHBondContact CB-O 3.33Å; Y248-G290 VanDerWaalsContact CD1-CA 3.47Å; Y248-I295 HydrophobicContact CD2-CB 4.38Å; Y248-I295 HydrophobicContact CD2-CG1 3.56Å; Y248-I295 HydrophobicContact CE2-CG1 3.97Å
249	A	97.3	Very high	96.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-86.5	-39.3	-176	0	0	0	0	0	112.1	S246 S252 A253 P274 V277	S246-A249 PolarHBondContact O-N 3.09Å; A249-S252 PolarHBondContact O-N 3.28Å; A249-A253 WeakPolarHBondContact O-CB 3.3Å; A249-A253 PolarHBondContact O-N 3.35Å; A249-P274 HydrophobicContact CB-CB 3.94Å; A249-V277 HydrophobicContact CB-CB 3.98Å; A249-V277 HydrophobicContact CB-CG1 4.16Å; A249-V277 HydrophobicContact CB-CG2 4.42Å
250	S	97.5	Very high	96.9	Very high	6 Å²	6	9.4 Å²	9.4	4%	0.042	6%	0.056	C	C	.	.	H	α-helix	trans	-61.5	-51.8	-177.3	-71.2	0	0	0	0	115.5	S246 A254	S246-S250 PolarHBondContact O-N 2.85Å; S250-A254 VanDerWaalsContact O-CB 3.32Å; S250-A254 WeakPolarHBondContact O-CB 3.26Å; S250-A254 PolarHBondContact O-N 3.47Å
251	P	98.3	Very high	97	Very high	4 Å²	4	6.1 Å²	6.1	3%	0.026	4%	0.037	C	C	.	.	H	α-helix	trans	-73.2	-31.1	177.1	31.7	-35	0	0	0	111.4	C247 A254 A255 P361 A399 V400 L401	C247-P251 WeakPolarHBondContact O-CD 3.46Å; C247-P251 WeakPolarHBondContact O-CG 3.42Å; P251-A254 PolarHBondContact O-N 2.73Å; P251-A255 WeakPolarHBondContact O-CB 3.38Å; P251-A255 PolarHBondContact O-N 3.35Å; P251-P361 HydrophobicContact CB-CB 4.15Å; P251-P361 HydrophobicContact CG-CB 4.39Å; P251-A399 HydrophobicContact CG-CB 4.04Å; P251-V400 VanDerWaalsContact CB-C 3.48Å; P251-L401 HydrophobicContact CB-CB 3.89Å
252	S	98.6	Very high	97.1	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.007	5%	0.05	C	C	.	.	H	α-helix	trans	-60	-48.9	172.9	-61.9	0	0	0	0	111.2	Y248 A249 L256 A296	Y248-S252 WeakPolarHBondContact O-CB 3.4Å; Y248-S252 PolarHBondContact O-OG 2.85Å; A249-S252 PolarHBondContact O-N 3.28Å; S252-L256 PolarHBondContact O-N 2.79Å; S252-A296 PolarHBondContact OG-N 2.92Å
253	A	98.5	Very high	97.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62	-46.2	172.7	0	0	0	0	0	111.9	A249 A255 L256 E257 L272 P274 L305	A249-A253 WeakPolarHBondContact O-CB 3.3Å; A249-A253 PolarHBondContact O-N 3.35Å; A253-A255 PolarHBondContact O-N 3.14Å; A253-L256 PolarHBondContact O-N 3.36Å; A253-E257 WeakPolarHBondContact O-CG 3.3Å; A253-E257 PolarHBondContact O-N 2.9Å; A253-L272 HydrophobicContact CB-CB 4.03Å; A253-P274 HydrophobicContact CB-CG 4.05Å; A253-L305 HydrophobicContact CB-CD2 4.01Å
254	A	98.6	Very high	97.5	Very high	3 Å²	3	9.5 Å²	9.5	3%	0.025	6%	0.055	C	C	.	.	H	α-helix	trans	-66.5	-35.2	-177.5	0	0	0	0	0	114	S250 P251 E257 A258 L401	S250-A254 VanDerWaalsContact O-CB 3.32Å; S250-A254 WeakPolarHBondContact O-CB 3.26Å; S250-A254 PolarHBondContact O-N 3.47Å; P251-A254 PolarHBondContact O-N 2.73Å; A254-E257 WeakPolarHBondContact CA-OE2 2.85Å; A254-A258 WeakPolarHBondContact O-CB 3.32Å; A254-A258 PolarHBondContact O-N 2.89Å; A254-A258 VanDerWaalsContact O-N 3.09Å; A254-L401 HydrophobicContact CB-CD2 3.83Å
255	A	98.8	Very high	97.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.4	-48.9	173.6	0	0	0	0	0	110.1	P251 A253 E257 A258 R259 P361 L401 F450	P251-A255 WeakPolarHBondContact O-CB 3.38Å; P251-A255 PolarHBondContact O-N 3.35Å; A253-A255 PolarHBondContact O-N 3.14Å; A255-E257 PolarHBondContact O-N 3.43Å; A255-A258 PolarHBondContact O-N 2.85Å; A255-R259 WeakPolarHBondContact O-CB 3.39Å; A255-R259 VanDerWaalsContact O-CG 3.32Å; A255-R259 WeakPolarHBondContact O-CG 3.32Å; A255-R259 PolarHBondContact O-N 3.44Å; A255-P361 HydrophobicContact CB-CG 3.96Å; A255-L401 HydrophobicContact CB-CD1 3.54Å; A255-F450 HydrophobicContact CB-CE1 3.89Å; A255-F450 HydrophobicContact CB-CZ 3.57Å
256	L	98.8	Very high	97.9	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-62.2	-42.3	179.3	-179.3	52.6	0	0	0	111.8	S252 A253 A258 R259 I260 L272 L305 T332 F450 P452	S252-L256 PolarHBondContact O-N 2.79Å; A253-L256 PolarHBondContact O-N 3.36Å; L256-A258 PolarHBondContact O-N 3.12Å; L256-R259 PolarHBondContact O-N 3.39Å; L256-I260 HydrophobicContact CD1-CD1 3.65Å; L256-I260 HydrophobicContact CD1-CG1 3.87Å; L256-I260 HydrophobicContact CG-CD1 3.68Å; L256-I260 HydrophobicContact CG-CG1 4.4Å; L256-I260 WeakPolarHBondContact O-CB 3.15Å; L256-I260 WeakPolarHBondContact O-CD1 3.36Å; L256-I260 VanDerWaalsContact O-CG1 3.25Å; L256-I260 WeakPolarHBondContact O-CG1 3.15Å; L256-I260 PolarHBondContact O-N 3.38Å; L256-L272 HydrophobicContact CB-CD1 3.81Å; L256-L272 HydrophobicContact CD2-CD1 3.61Å; L256-L272 HydrophobicContact CG-CD1 3.66Å; L256-L305 HydrophobicContact CD2-CD1 4.09Å; L256-T332 HydrophobicContact CD1-CG2 3.73Å; L256-T332 HydrophobicContact CD2-CG2 3.75Å; L256-T332 HydrophobicContact CG-CG2 4.26Å; L256-F450 HydrophobicContact CB-CE2 4.02Å; L256-F450 HydrophobicContact CB-CZ 4.17Å; L256-F450 HydrophobicContact CD1-CE2 3.96Å; L256-P452 HydrophobicContact CD1-CB 3.77Å
257	E	98.8	Very high	98	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-55.7	-48	173.2	-70.6	164.3	166.1	0	0	112.6	T236 R239 A253 A254 A255 R261 I271 L272	T236-E257 WeakPolarHBondContact CB-OE2 3.24Å; T236-E257 HydrophobicContact CG2-CB 3.85Å; T236-E257 HydrophobicContact CG2-CG 4.25Å; T236-E257 VanDerWaalsContact CG2-OE2 3.23Å; T236-E257 WeakPolarHBondContact CG2-OE2 3.1Å; T236-E257 PolarHBondContact OG1-OE2 2.88Å; R239-E257 IonicContact CZ-OE1 3.92Å; R239-E257 IonicContact CZ-OE2 2.96Å; R239-E257 IonicContact NH1-OE1 3.28Å; R239-E257 IonicContact NH1-OE2 2.78Å; R239-E257 PolarHBondContact NH1-OE2 3.33Å; R239-E257 IonicContact NH2-OE1 3.84Å; R239-E257 PolarHBondContact NH2-OE1 3.36Å; R239-E257 IonicContact NH2-OE2 3.6Å; R239-E257 PolarHBondContact NH2-OE2 3.36Å; A253-E257 WeakPolarHBondContact O-CG 3.3Å; A253-E257 PolarHBondContact O-N 2.9Å; A254-E257 WeakPolarHBondContact CA-OE2 2.85Å; A255-E257 PolarHBondContact O-N 3.43Å; E257-R261 WeakPolarHBondContact O-CD 3.37Å; E257-R261 VanDerWaalsContact O-CG 3.27Å; E257-R261 WeakPolarHBondContact O-CG 3.32Å; E257-R261 PolarHBondContact O-N 2.67Å; E257-I271 WeakPolarHBondContact OE1-CA 3.35Å; E257-L272 HydrophobicContact CG-CB 4.26Å; E257-L272 HydrophobicContact CG-CD1 4Å; E257-L272 HydrophobicContact CG-CG 3.79Å; E257-L272 PolarHBondContact OE1-N 3.11Å
258	A	98.8	Very high	98	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.4	-44.1	-179.3	0	0	0	0	0	111.2	P234 A254 A255 L256 R261 L262 P359	P234-A258 HydrophobicContact CB-CB 4.13Å; P234-A258 WeakPolarHBondContact O-CA 3.5Å; A254-A258 WeakPolarHBondContact O-CB 3.32Å; A254-A258 PolarHBondContact O-N 2.89Å; A254-A258 VanDerWaalsContact O-N 3.09Å; A255-A258 PolarHBondContact O-N 2.85Å; L256-A258 PolarHBondContact O-N 3.12Å; A258-R261 WeakPolarHBondContact O-CB 3.38Å; A258-R261 PolarHBondContact O-N 3.31Å; A258-L262 WeakPolarHBondContact O-CG 3.44Å; A258-L262 PolarHBondContact O-N 3.46Å; A258-L262 VanDerWaalsContact O-N 3.09Å; A258-P359 HydrophobicContact CB-CB 4.29Å; A258-P359 HydrophobicContact CB-CG 3.86Å
259	R	98.7	Very high	98.1	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-46.2	179.7	-67.8	-172.7	176.4	-133.5	-15.1	111.4	A255 L256 R261 L262 V263 E353 N357 G358 P359 F450 P452	A255-R259 WeakPolarHBondContact O-CB 3.39Å; A255-R259 VanDerWaalsContact O-CG 3.32Å; A255-R259 WeakPolarHBondContact O-CG 3.32Å; A255-R259 PolarHBondContact O-N 3.44Å; L256-R259 PolarHBondContact O-N 3.39Å; R259-R261 VanDerWaalsContact C-N 3.26Å; R259-R261 PolarHBondContact O-N 3.16Å; R259-L262 WeakPolarHBondContact O-CB 3.2Å; R259-L262 PolarHBondContact O-N 3.07Å; R259-V263 WeakPolarHBondContact O-CG2 3.41Å; R259-V263 PolarHBondContact O-N 2.96Å; R259-E353 IonicContact CZ-OE1 3.68Å; R259-E353 IonicContact NH1-OE1 2.63Å; R259-E353 PolarHBondContact NH1-OE1 3.36Å; R259-E353 IonicContact NH2-OE1 3.55Å; R259-E353 PolarHBondContact NH2-OE1 2.79Å; R259-N357 WeakPolarHBondContact CG-O 3.19Å; R259-N357 PolarHBondContact NE-O 2.85Å; R259-G358 PolarHBondContact NH2-O 2.84Å; R259-P359 PolarHBondContact NE-O 3.41Å; R259-F450 PolarHBondContact NH1-O 2.77Å; R259-P452 HydrophobicContact CB-CG 4Å
260	I	98.7	Very high	98.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-53.4	-44.5	174.6	-72.2	160.8	0	0	0	111.3	L256 L262 V263 S264 E268 P270 Y330 P452 L454	L256-I260 HydrophobicContact CD1-CD1 3.65Å; L256-I260 HydrophobicContact CD1-CG1 3.87Å; L256-I260 HydrophobicContact CG-CD1 3.68Å; L256-I260 HydrophobicContact CG-CG1 4.4Å; L256-I260 WeakPolarHBondContact O-CB 3.15Å; L256-I260 WeakPolarHBondContact O-CD1 3.36Å; L256-I260 VanDerWaalsContact O-CG1 3.25Å; L256-I260 WeakPolarHBondContact O-CG1 3.15Å; L256-I260 PolarHBondContact O-N 3.38Å; I260-L262 VanDerWaalsContact C-N 3.32Å; I260-L262 PolarHBondContact O-N 2.68Å; I260-V263 PolarHBondContact O-N 3.02Å; I260-S264 WeakPolarHBondContact O-CB 3.3Å; I260-S264 PolarHBondContact O-N 3.46Å; I260-S264 PolarHBondContact O-OG 2.63Å; I260-E268 HydrophobicContact CG2-CB 3.7Å; I260-P270 HydrophobicContact CB-CG 4.47Å; I260-P270 HydrophobicContact CD1-CG 3.84Å; I260-P270 HydrophobicContact CG2-CG 4.01Å; I260-Y330 HydrophobicContact CD1-CD1 3.46Å; I260-Y330 VanDerWaalsContact CD1-CD1 3.46Å; I260-Y330 HydrophobicContact CD1-CE1 4.25Å; I260-Y330 HydrophobicContact CD1-CG 3.81Å; I260-Y330 HydrophobicContact CG1-CD1 4.4Å; I260-P452 HydrophobicContact CG1-CB 3.78Å; I260-L454 HydrophobicContact CG1-CD2 4.4Å; I260-L454 HydrophobicContact CG2-CD2 4.02Å
261	R	98.6	Very high	98.1	Very high	19 Å²	19	30.8 Å²	30.8	7%	0.072	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-39.6	177.8	-70.2	163.5	177.8	-165.5	-10.4	112.6	P234 T236 E257 A258 R259 N265 F266 Q269	P234-R261 HydrophobicContact CB-CB 4.11Å; P234-R261 WeakPolarHBondContact O-CD 2.69Å; P234-R261 PolarHBondContact O-NH1 3Å; T236-R261 VanDerWaalsContact CG2-NH1 3.31Å; T236-R261 VanDerWaalsContact CG2-NH2 3.33Å; E257-R261 WeakPolarHBondContact O-CD 3.37Å; E257-R261 VanDerWaalsContact O-CG 3.27Å; E257-R261 WeakPolarHBondContact O-CG 3.32Å; E257-R261 PolarHBondContact O-N 2.67Å; A258-R261 WeakPolarHBondContact O-CB 3.38Å; A258-R261 PolarHBondContact O-N 3.31Å; R259-R261 VanDerWaalsContact C-N 3.26Å; R259-R261 PolarHBondContact O-N 3.16Å; R261-N265 PolarHBondContact O-N 3.04Å; R261-F266 HydrophobicContact CB-CD1 3.97Å; R261-F266 HydrophobicContact CB-CE1 3.88Å; R261-F266 HydrophobicContact CB-CG 4.48Å; R261-F266 HydrophobicContact CB-CZ 4.3Å; R261-F266 HydrophobicContact CG-CD1 4.21Å; R261-F266 HydrophobicContact CG-CE1 4.31Å; R261-F266 PolarHBondContact O-N 2.88Å; R261-Q269 HydrophobicContact CG-CG 4.18Å
262	L	97.9	Very high	98.1	Very high	50 Å²	50	30.6 Å²	30.6	26%	0.262	17%	0.168	S	C	.	.	H	α-helix	trans	-67	-52.5	177.5	-68.5	171.3	0	0	0	111.1	W224 P234 A258 R259 I260 S264 N265	W224-L262 HydrophobicContact CE3-CD2 4.17Å; W224-L262 HydrophobicContact CH2-CD1 4.12Å; W224-L262 HydrophobicContact CH2-CD2 3.74Å; W224-L262 HydrophobicContact CZ2-CD1 4.04Å; W224-L262 HydrophobicContact CZ2-CD2 4.48Å; W224-L262 HydrophobicContact CZ3-CD1 4.44Å; W224-L262 HydrophobicContact CZ3-CD2 3.57Å; P234-L262 HydrophobicContact CB-CD1 4.41Å; P234-L262 HydrophobicContact CB-CD2 3.98Å; P234-L262 HydrophobicContact CB-CG 3.84Å; P234-L262 HydrophobicContact CG-CD1 4.22Å; P234-L262 HydrophobicContact CG-CD2 3.89Å; P234-L262 HydrophobicContact CG-CG 4.03Å; A258-L262 WeakPolarHBondContact O-CG 3.44Å; A258-L262 PolarHBondContact O-N 3.46Å; A258-L262 VanDerWaalsContact O-N 3.09Å; R259-L262 WeakPolarHBondContact O-CB 3.2Å; R259-L262 PolarHBondContact O-N 3.07Å; I260-L262 VanDerWaalsContact C-N 3.32Å; I260-L262 PolarHBondContact O-N 2.68Å; L262-S264 VanDerWaalsContact C-N 3.34Å; L262-S264 PolarHBondContact O-N 3.02Å; L262-N265 PolarHBondContact O-N 3.16Å
263	V	97.7	Very high	97.9	Very high	92 Å²	92	30.6 Å²	30.6	56%	0.558	17%	0.168	S	C	*	.	H	α-helix	trans	-71.7	-30.2	-174.6	-154.2	0	0	0	0	112.1	R259 I260 N265 P452 L454	R259-V263 WeakPolarHBondContact O-CG2 3.41Å; R259-V263 PolarHBondContact O-N 2.96Å; I260-V263 PolarHBondContact O-N 3.02Å; V263-N265 VanDerWaalsContact C-N 3.34Å; V263-P452 HydrophobicContact CB-CG 4.28Å; V263-P452 HydrophobicContact CG2-CG 3.42Å; V263-P452 VanDerWaalsContact CG2-CG 3.42Å; V263-L454 HydrophobicContact CB-CD1 3.91Å; V263-L454 HydrophobicContact CG1-CD1 4.07Å
264	S	97.8	Very high	97.8	Very high	14 Å²	14	30.9 Å²	30.9	10%	0.098	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	1.5	176.9	72.2	0	0	0	0	113.9	I260 L262 F266 S267 E268	I260-S264 WeakPolarHBondContact O-CB 3.3Å; I260-S264 PolarHBondContact O-N 3.46Å; I260-S264 PolarHBondContact O-OG 2.63Å; L262-S264 VanDerWaalsContact C-N 3.34Å; L262-S264 PolarHBondContact O-N 3.02Å; S264-F266 PolarHBondContact O-N 3.04Å; S264-S267 WeakPolarHBondContact CB-OG 3.48Å; S264-S267 WeakPolarHBondContact O-CB 3.25Å; S264-S267 PolarHBondContact O-N 3.06Å; S264-S267 VanDerWaalsContact O-N 3.07Å; S264-S267 PolarHBondContact O-OG 2.97Å; S264-E268 PolarHBondContact OG-N 3.38Å; S264-E268 PolarHBondContact OG-O 2.96Å
265	N	96.9	Very high	97.7	Very high	138 Å²	138	30.8 Å²	30.8	74%	0.738	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	46.9	-171.3	-169.7	30.1	0	0	0	112.4	R261 L262 V263 S267	R261-N265 PolarHBondContact O-N 3.04Å; L262-N265 PolarHBondContact O-N 3.16Å; V263-N265 VanDerWaalsContact C-N 3.34Å; N265-S267 PolarHBondContact O-N 2.84Å; N265-S267 VanDerWaalsContact O-N 3.12Å
266	F	97.7	Very high	97.5	Very high	37 Å²	37	30.8 Å²	30.8	16%	0.162	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	10.6	-178.9	-63.8	-95.2	0	0	0	116.3	R232 P234 R261 S264 E268 Q269	R232-F266 HydrophobicContact CB-CE1 4.08Å; R232-F266 HydrophobicContact CB-CE2 4.11Å; R232-F266 HydrophobicContact CB-CZ 3.82Å; R232-F266 HydrophobicContact CG-CD1 4.25Å; R232-F266 HydrophobicContact CG-CE1 3.74Å; R232-F266 HydrophobicContact CG-CZ 3.99Å; R232-F266 WeakPolarHBondContact O-CZ 3.32Å; P234-F266 HydrophobicContact CB-CZ 4.18Å; R261-F266 HydrophobicContact CB-CD1 3.97Å; R261-F266 HydrophobicContact CB-CE1 3.88Å; R261-F266 HydrophobicContact CB-CG 4.48Å; R261-F266 HydrophobicContact CB-CZ 4.3Å; R261-F266 HydrophobicContact CG-CD1 4.21Å; R261-F266 HydrophobicContact CG-CE1 4.31Å; R261-F266 PolarHBondContact O-N 2.88Å; S264-F266 PolarHBondContact O-N 3.04Å; F266-E268 PolarHBondContact O-N 3.36Å; F266-Q269 HydrophobicContact CD1-CG 4.46Å; F266-Q269 PolarHBondContact O-NE2 2.96Å
267	S	97.9	Very high	97.3	Very high	99 Å²	99	30.7 Å²	30.7	69%	0.692	17%	0.168	S	C	*	.	S	Bend	trans	-64.6	-28.5	170.3	70.7	0	0	0	0	111.3	S264 N265	S264-S267 WeakPolarHBondContact CB-OG 3.48Å; S264-S267 WeakPolarHBondContact O-CB 3.25Å; S264-S267 PolarHBondContact O-N 3.06Å; S264-S267 VanDerWaalsContact O-N 3.07Å; S264-S267 PolarHBondContact O-OG 2.97Å; N265-S267 PolarHBondContact O-N 2.84Å; N265-S267 VanDerWaalsContact O-N 3.12Å
268	E	97.3	Very high	97.1	Very high	64 Å²	64	30.9 Å²	30.9	30%	0.299	17%	0.169	S	C	.	.			trans	-117.5	130.1	173.3	-62.4	-168.5	-175	0	0	111.7	I260 S264 F266 Y330	I260-E268 HydrophobicContact CG2-CB 3.7Å; S264-E268 PolarHBondContact OG-N 3.38Å; S264-E268 PolarHBondContact OG-O 2.96Å; F266-E268 PolarHBondContact O-N 3.36Å; E268-Y330 WeakPolarHBondContact OE2-CE1 3.34Å
269	Q	97.3	Very high	96.9	Very high	81 Å²	81	31.2 Å²	31.2	38%	0.379	17%	0.171	S	C	.	.			trans	-137.2	53.1	-176.2	-62.7	171.9	57	0	0	111.4	R232 R261 F266	R232-Q269 VanDerWaalsContact NH1-CD 3.26Å; R232-Q269 VanDerWaalsContact NH1-NE2 3.15Å; R261-Q269 HydrophobicContact CG-CG 4.18Å; F266-Q269 HydrophobicContact CD1-CG 4.46Å; F266-Q269 PolarHBondContact O-NE2 2.96Å
270	P	96.6	Very high	96.6	Very high	2 Å²	2	32 Å²	32	1%	0.013	18%	0.177	C	C	.	.			trans	-60.8	152.4	-179.7	27.9	-34.9	0	0	0	111.3	I260 L272 Q307 Y330	I260-P270 HydrophobicContact CB-CG 4.47Å; I260-P270 HydrophobicContact CD1-CG 3.84Å; I260-P270 HydrophobicContact CG2-CG 4.01Å; P270-L272 HydrophobicContact CB-CD2 4Å; P270-L272 HydrophobicContact CG-CD2 4.42Å; P270-Q307 HydrophobicContact CB-CG 4.12Å; P270-Y330 HydrophobicContact CB-CD2 4.08Å; P270-Y330 HydrophobicContact CB-CE1 4.12Å; P270-Y330 HydrophobicContact CB-CE2 3.52Å; P270-Y330 HydrophobicContact CG-CD1 4.12Å; P270-Y330 HydrophobicContact CG-CD2 4.33Å; P270-Y330 HydrophobicContact CG-CE1 3.76Å; P270-Y330 HydrophobicContact CG-CE2 4.03Å; P270-Y330 HydrophobicContact CG-CG 4.36Å
271	I	97.6	Very high	96.2	Very high	40 Å²	40	32.1 Å²	32.1	21%	0.205	18%	0.177	C	C	.	.			trans	-115.7	110.7	160.2	-52.8	-57.3	0	0	0	106.4	T236 E257 Q307 K308	T236-I271 HydrophobicContact CG2-CD1 3.59Å; E257-I271 WeakPolarHBondContact OE1-CA 3.35Å; I271-Q307 CarbonylContact O-C 3.58Å; I271-Q307 WeakPolarHBondContact O-CA 2.89Å; I271-Q307 WeakPolarHBondContact O-CB 3.48Å; I271-K308 HydrophobicContact CB-CD 4.07Å; I271-K308 HydrophobicContact CB-CG 4.01Å; I271-K308 HydrophobicContact CG2-CB 4.4Å; I271-K308 HydrophobicContact CG2-CD 3.47Å; I271-K308 VanDerWaalsContact CG2-CD 3.47Å; I271-K308 HydrophobicContact CG2-CG 3.78Å; I271-K308 PolarHBondContact O-N 2.82Å
272	L	97.6	Very high	95.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-80.2	160.5	-173.3	-58.1	179.5	0	0	0	112.1	R239 A253 L256 E257 P270 P274 L305 P306 Y330	R239-L272 PolarHBondContact NH2-O 2.86Å; A253-L272 HydrophobicContact CB-CB 4.03Å; L256-L272 HydrophobicContact CB-CD1 3.81Å; L256-L272 HydrophobicContact CD2-CD1 3.61Å; L256-L272 HydrophobicContact CG-CD1 3.66Å; E257-L272 HydrophobicContact CG-CB 4.26Å; E257-L272 HydrophobicContact CG-CD1 4Å; E257-L272 HydrophobicContact CG-CG 3.79Å; E257-L272 PolarHBondContact OE1-N 3.11Å; P270-L272 HydrophobicContact CB-CD2 4Å; P270-L272 HydrophobicContact CG-CD2 4.42Å; L272-P274 WeakPolarHBondContact O-CD 3.44Å; L272-L305 HydrophobicContact CB-CB 4.35Å; L272-L305 HydrophobicContact CB-CD2 4.39Å; L272-L305 HydrophobicContact CD1-CB 4.02Å; L272-L305 HydrophobicContact CD1-CD2 4.2Å; L272-L305 HydrophobicContact CD2-CB 4.22Å; L272-L305 HydrophobicContact CG-CB 4.43Å; L272-P306 CarbonylContact C-O 3.47Å; L272-P306 WeakPolarHBondContact CA-O 3.36Å; L272-Y330 HydrophobicContact CD2-CD2 3.49Å; L272-Y330 VanDerWaalsContact CD2-CD2 3.49Å; L272-Y330 HydrophobicContact CD2-CE2 4.2Å; L272-Y330 HydrophobicContact CD2-CG 4.06Å
273	S	95.8	Very high	95.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	16%	0.163	C	C	.	.			trans	-101.6	97.8	-177	179.8	0	0	0	0	112	Q275 T276 P306 I311	S273-Q275 PolarHBondContact O-N 2.86Å; S273-T276 WeakPolarHBondContact CB-OG1 3.27Å; S273-T276 PolarHBondContact O-N 3.23Å; S273-T276 PolarHBondContact OG-N 3.38Å; S273-T276 PolarHBondContact OG-OG1 2.76Å; S273-T276 VanDerWaalsContact OG-OG1 3.06Å; S273-P306 PolarHBondContact N-O 3Å; S273-I311 WeakPolarHBondContact CB-O 3.4Å; S273-I311 PolarHBondContact OG-O 3.4Å
274	P	96.8	Very high	95	Very high	5 Å²	5	25 Å²	25	3%	0.032	14%	0.137	C	C	.	.	H	α-helix	trans	-56.7	-31.7	166.5	-26.2	33.7	0	0	0	113	A249 A253 L272 T276 V277 V278 Y313	A249-P274 HydrophobicContact CB-CB 3.94Å; A253-P274 HydrophobicContact CB-CG 4.05Å; L272-P274 WeakPolarHBondContact O-CD 3.44Å; P274-T276 VanDerWaalsContact C-N 3.27Å; P274-T276 PolarHBondContact O-N 3.17Å; P274-V277 WeakPolarHBondContact O-CA 3.3Å; P274-V277 WeakPolarHBondContact O-CB 3.35Å; P274-V277 PolarHBondContact O-N 3.1Å; P274-V278 PolarHBondContact O-N 3.19Å; P274-V278 VanDerWaalsContact O-N 3.09Å; P274-Y313 HydrophobicContact CB-CD2 4.25Å; P274-Y313 HydrophobicContact CB-CE2 4.47Å
275	Q	96	Very high	94.5	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-60.7	-37.1	-179.5	-168.8	60.3	47.6	0	0	112.5	S273 V277 V278 D279 I311 P312 Y313 T314 E316	S273-Q275 PolarHBondContact O-N 2.86Å; Q275-V277 PolarHBondContact O-N 2.61Å; Q275-V278 WeakPolarHBondContact O-CB 3.33Å; Q275-V278 PolarHBondContact O-N 2.92Å; Q275-V278 VanDerWaalsContact O-N 3.13Å; Q275-D279 WeakPolarHBondContact CG-OD2 3.42Å; Q275-D279 PolarHBondContact NE2-OD2 3.09Å; Q275-D279 PolarHBondContact O-N 3.07Å; Q275-I311 HydrophobicContact CB-CG2 3.76Å; Q275-I311 HydrophobicContact CG-CG2 3.57Å; Q275-P312 WeakPolarHBondContact CG-O 3.26Å; Q275-Y313 HydrophobicContact CB-CD2 4.17Å; Q275-T314 VanDerWaalsContact CD-OG1 3.25Å; Q275-T314 PolarHBondContact NE2-OG1 2.96Å; Q275-T314 PolarHBondContact OE1-OG1 2.78Å; Q275-T314 VanDerWaalsContact OE1-OG1 3.08Å; Q275-E316 PolarHBondContact NE2-O 3.39Å
276	T	94.2	Very high	94.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.5	-36.6	175.4	-57.9	0	0	0	0	111.3	S273 P274 C280 P306 V323	S273-T276 WeakPolarHBondContact CB-OG1 3.27Å; S273-T276 PolarHBondContact O-N 3.23Å; S273-T276 PolarHBondContact OG-N 3.38Å; S273-T276 PolarHBondContact OG-OG1 2.76Å; S273-T276 VanDerWaalsContact OG-OG1 3.06Å; P274-T276 VanDerWaalsContact C-N 3.27Å; P274-T276 PolarHBondContact O-N 3.17Å; T276-C280 HydrophobicContact CG2-CB 4.38Å; T276-C280 WeakPolarHBondContact O-CB 3Å; T276-C280 PolarHBondContact O-N 2.98Å; T276-P306 HydrophobicContact CG2-CG 3.72Å; T276-P306 VanDerWaalsContact OG1-CG 3.22Å; T276-P306 WeakPolarHBondContact OG1-CG 3.48Å; T276-V323 HydrophobicContact CG2-CG2 3.53Å
277	V	95.2	Very high	94	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.3	-46.3	175.2	-173.5	0	0	0	0	110.1	Y248 A249 P274 Q275 D279 S281 I295 Y299 L305	Y248-V277 HydrophobicContact CD2-CG1 4.48Å; Y248-V277 HydrophobicContact CE2-CG1 3.8Å; A249-V277 HydrophobicContact CB-CB 3.98Å; A249-V277 HydrophobicContact CB-CG1 4.16Å; A249-V277 HydrophobicContact CB-CG2 4.42Å; P274-V277 WeakPolarHBondContact O-CA 3.3Å; P274-V277 WeakPolarHBondContact O-CB 3.35Å; P274-V277 PolarHBondContact O-N 3.1Å; Q275-V277 PolarHBondContact O-N 2.61Å; V277-D279 VanDerWaalsContact C-N 3.31Å; V277-D279 PolarHBondContact O-N 3.43Å; V277-S281 WeakPolarHBondContact O-CB 3.12Å; V277-S281 PolarHBondContact O-N 2.82Å; V277-I295 HydrophobicContact CB-CG2 4.43Å; V277-I295 HydrophobicContact CG1-CB 4.43Å; V277-I295 HydrophobicContact CG1-CD1 3.74Å; V277-I295 HydrophobicContact CG1-CG1 3.93Å; V277-I295 HydrophobicContact CG1-CG2 3.6Å; V277-I295 HydrophobicContact CG2-CG2 4.03Å; V277-Y299 HydrophobicContact CG2-CD1 4.25Å; V277-Y299 HydrophobicContact CG2-CE1 3.97Å; V277-L305 HydrophobicContact CG2-CD2 4.27Å; V277-L305 HydrophobicContact CG2-CG 4.48Å
278	V	94.8	Very high	93.5	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.024	9%	0.085	C	C	.	.	H	α-helix	trans	-54.9	-46.5	178.4	173.7	0	0	0	0	111.3	P274 Q275 G286 D317	P274-V278 PolarHBondContact O-N 3.19Å; P274-V278 VanDerWaalsContact O-N 3.09Å; Q275-V278 WeakPolarHBondContact O-CB 3.33Å; Q275-V278 PolarHBondContact O-N 2.92Å; Q275-V278 VanDerWaalsContact O-N 3.13Å; V278-G286 VanDerWaalsContact O-CA 3.3Å; V278-G286 WeakPolarHBondContact O-CA 3.48Å; V278-D317 WeakPolarHBondContact CG1-OD1 3.39Å
279	D	93.6	Very high	93.1	Very high	7 Å²	7	13.2 Å²	13.2	4%	0.037	7%	0.071	C	C	.	.	H	α-helix	trans	-86.5	-26.6	-174.3	-70.3	-48.7	0	0	0	115.1	F17 Q275 V277 T318	F17-D279 WeakPolarHBondContact CE1-O 3.18Å; F17-D279 WeakPolarHBondContact CZ-O 3.26Å; Q275-D279 WeakPolarHBondContact CG-OD2 3.42Å; Q275-D279 PolarHBondContact NE2-OD2 3.09Å; Q275-D279 PolarHBondContact O-N 3.07Å; V277-D279 VanDerWaalsContact C-N 3.31Å; V277-D279 PolarHBondContact O-N 3.43Å; D279-T318 WeakPolarHBondContact OD1-CB 3.42Å; D279-T318 PolarHBondContact OD1-N 2.88Å; D279-T318 PolarHBondContact OD1-OG1 3.19Å; D279-T318 PolarHBondContact OD2-OG1 2.82Å
280	C	91.9	Very high	92.8	Very high	18 Å²	18	9.8 Å²	9.8	12%	0.122	6%	0.057	C	C	.	.	H	α-helix	trans	-120.8	-15.1	-167.3	-61.9	0	0	0	0	115.2	T276 P282 C321	T276-C280 HydrophobicContact CG2-CB 4.38Å; T276-C280 WeakPolarHBondContact O-CB 3Å; T276-C280 PolarHBondContact O-N 2.98Å; C280-P282 WeakPolarHBondContact O-CD 3.47Å; C280-C321 HydrophobicContact CB-CB 3.95Å; C280-C321 WeakPolarHBondContact CB-SG 3.41Å; C280-C321 WeakPolarHBondContact SG-CA 3.39Å; C280-C321 WeakPolarHBondContact SG-CB 3.41Å; C280-C321 CovalentContact SG-SG 2.04Å; C280-C321 PolarHBondContact SG-SG 3.23Å
281	S	91.8	Very high	92.6	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.007	6%	0.059	C	C	.	.			trans	-70	122.8	-172.8	173.6	0	0	0	0	110.9	V277 Y283 S284 I295	V277-S281 WeakPolarHBondContact O-CB 3.12Å; V277-S281 PolarHBondContact O-N 2.82Å; S281-Y283 PolarHBondContact O-N 3.23Å; S281-Y283 PolarHBondContact OG-N 3.48Å; S281-S284 WeakPolarHBondContact CB-OG 3.33Å; S281-S284 PolarHBondContact OG-N 2.79Å; S281-S284 PolarHBondContact OG-OG 3.15Å; S281-S284 VanDerWaalsContact OG-OG 3.11Å; S281-I295 VanDerWaalsContact OG-CD1 3.31Å; S281-I295 WeakPolarHBondContact OG-CD1 3.15Å
282	P	87.3	Confident	92.5	Very high	3 Å²	3	9 Å²	9	2%	0.019	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-10.6	169.3	33.1	-35.3	0	0	0	111.6	L15 T18 C280 F303	L15-P282 HydrophobicContact CD2-CB 4.09Å; L15-P282 HydrophobicContact CD2-CG 4.21Å; T18-P282 WeakPolarHBondContact CB-O 3.41Å; T18-P282 PolarHBondContact N-O 3.03Å; T18-P282 PolarHBondContact OG1-O 3.08Å; C280-P282 WeakPolarHBondContact O-CD 3.47Å; P282-F303 HydrophobicContact CG-CE2 3.62Å; P282-F303 HydrophobicContact CG-CZ 3.85Å
283	Y	90.5	Very high	92.4	Very high	7 Å²	7	9.1 Å²	9.1	3%	0.027	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	17.5	-175	-49.5	-42.1	0	0	0	113.2	A20 L94 M113 S281 K298 D302 F303	A20-Y283 WeakPolarHBondContact CB-O 3.21Å; L94-Y283 HydrophobicContact CD2-CD1 3.86Å; L94-Y283 HydrophobicContact CD2-CE1 3.9Å; M113-Y283 HydrophobicContact CE-CD1 4.25Å; M113-Y283 HydrophobicContact CE-CE1 4.21Å; S281-Y283 PolarHBondContact O-N 3.23Å; S281-Y283 PolarHBondContact OG-N 3.48Å; Y283-K298 HydrophobicContact CD2-CB 4.37Å; Y283-K298 HydrophobicContact CD2-CD 4.14Å; Y283-K298 HydrophobicContact CD2-CG 4.02Å; Y283-K298 HydrophobicContact CE1-CD 4.39Å; Y283-K298 HydrophobicContact CE2-CB 4.44Å; Y283-K298 HydrophobicContact CE2-CD 3.83Å; Y283-K298 HydrophobicContact CE2-CG 3.65Å; Y283-K298 VanDerWaalsContact CZ-CE 3.46Å; Y283-D302 HydrophobicContact CE2-CB 4.48Å; Y283-D302 WeakPolarHBondContact CE2-OD2 3.35Å; Y283-D302 PolarHBondContact OH-OD2 3.35Å; Y283-F303 HydrophobicContact CD2-CE2 4.31Å; Y283-F303 HydrophobicContact CE2-CD2 4.22Å; Y283-F303 AromaticContact CE2-CE2 3.56Å; Y283-F303 HydrophobicContact CE2-CE2 3.56Å; Y283-F303 AromaticContact CZ-CE2 3.91Å
284	S	90.3	Very high	92.3	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.007	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-152	173.5	174.6	59.7	0	0	0	0	111.3	Y248 S281	Y248-S284 VanDerWaalsContact CE2-CB 3.46Å; Y248-S284 WeakPolarHBondContact CE2-OG 3.03Å; Y248-S284 PolarHBondContact OH-OG 3.43Å; S281-S284 WeakPolarHBondContact CB-OG 3.33Å; S281-S284 PolarHBondContact OG-N 2.79Å; S281-S284 PolarHBondContact OG-OG 3.15Å; S281-S284 VanDerWaalsContact OG-OG 3.11Å
285	E	88.3	Confident	92.4	Very high	21 Å²	21	8.9 Å²	8.9	10%	0.098	5%	0.052	C	C	.	.			trans	-113.9	33.9	-174.3	-65.3	-179.2	-141.3	0	0	113.1	C19 A20 D21 K193 C287 N288 G289	C19-E285 VanDerWaalsContact C-OE1 3.23Å; C19-E285 WeakPolarHBondContact CA-OE1 3.34Å; C19-E285 VanDerWaalsContact CB-CD 3.47Å; C19-E285 HydrophobicContact CB-CG 3.98Å; C19-E285 WeakPolarHBondContact CB-OE1 3.27Å; A20-E285 PolarHBondContact N-OE1 3.49Å; D21-E285 WeakPolarHBondContact CA-OE1 3.45Å; D21-E285 PolarHBondContact N-OE1 3.28Å; D21-E285 VanDerWaalsContact O-OE1 3.05Å; K193-E285 IonicContact NZ-OE2 2.62Å; K193-E285 PolarHBondContact NZ-OE2 3.42Å; E285-C287 PolarHBondContact O-N 3.26Å; E285-N288 HydrophobicContact CB-CB 3.9Å; E285-N288 WeakPolarHBondContact O-CB 3.48Å; E285-N288 PolarHBondContact O-N 3.1Å; E285-N288 PolarHBondContact O-ND2 2.85Å; E285-G289 PolarHBondContact N-O 3.19Å
286	G	91.6	Very high	92.5	Very high	4 Å²	4	8.9 Å²	8.9	4%	0.041	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	58.4	-125.7	-178.1	0	0	0	0	0	111.3	Y248 V278 N288 D317	Y248-G286 WeakPolarHBondContact CE1-O 3.35Å; Y248-G286 WeakPolarHBondContact OH-CA 3.43Å; Y248-G286 PolarHBondContact OH-N 3.34Å; Y248-G286 PolarHBondContact OH-O 2.92Å; V278-G286 VanDerWaalsContact O-CA 3.3Å; V278-G286 WeakPolarHBondContact O-CA 3.48Å; G286-N288 PolarHBondContact O-N 3.42Å; G286-D317 WeakPolarHBondContact CA-OD1 3.35Å
287	C	92.1	Very high	92.6	Very high	17 Å²	17	8.9 Å²	8.9	12%	0.115	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-72.6	-3.2	177	-70.4	0	0	0	0	115.1	C244 G245 E285 D317	C244-C287 HydrophobicContact CB-CB 3.98Å; C244-C287 WeakPolarHBondContact CB-SG 3.47Å; C244-C287 WeakPolarHBondContact SG-CA 3.43Å; C244-C287 WeakPolarHBondContact SG-CB 3.42Å; C244-C287 CovalentContact SG-SG 2.04Å; C244-C287 PolarHBondContact SG-SG 2.79Å; G245-C287 WeakPolarHBondContact CA-O 3.4Å; G245-C287 PolarHBondContact N-O 3.15Å; E285-C287 PolarHBondContact O-N 3.26Å; C287-D317 PolarHBondContact N-OD1 3.4Å; C287-D317 PolarHBondContact N-OD2 2.72Å
288	N	86.9	Confident	92.5	Very high	64 Å²	64	8.9 Å²	8.9	34%	0.342	5%	0.052	S	C	.	.	G	3₁₀ helix	trans	-94.8	-2.6	-178.6	-56.7	-77.4	0	0	0	114.5	E285 G286	E285-N288 HydrophobicContact CB-CB 3.9Å; E285-N288 WeakPolarHBondContact O-CB 3.48Å; E285-N288 PolarHBondContact O-N 3.1Å; E285-N288 PolarHBondContact O-ND2 2.85Å; G286-N288 PolarHBondContact O-N 3.42Å
289	G	88.7	Confident	92.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.052	C	C	.	.			trans	130.5	174.2	173.5	0	0	0	0	0	115.1	Y248 E285	Y248-G289 VanDerWaalsContact CD1-C 3.48Å; Y248-G289 VanDerWaalsContact CE1-O 3.26Å; Y248-G289 WeakPolarHBondContact CE1-O 3.11Å; E285-G289 PolarHBondContact N-O 3.19Å
290	G	91.2	Very high	92.6	Very high	8 Å²	8	8.5 Å²	8.5	8%	0.082	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	167.9	177.4	-175.8	0	0	0	0	0	111.5	Y248	Y248-G290 VanDerWaalsContact CB-C 3.42Å; Y248-G290 VanDerWaalsContact CB-O 3.3Å; Y248-G290 WeakPolarHBondContact CB-O 3.33Å; Y248-G290 VanDerWaalsContact CD1-CA 3.47Å
291	F	92.6	Very high	92.8	Very high	12 Å²	12	10 Å²	10	5%	0.053	6%	0.055	C	C	.	.			trans	-127.7	136.5	-175.2	-67.1	-87.8	0	0	0	112	A20 D21 Y80 Q82 F293 L294 I295	A20-F291 HydrophobicContact CB-CD2 4.45Å; A20-F291 VanDerWaalsContact O-CE2 3.26Å; A20-F291 WeakPolarHBondContact O-CE2 3.37Å; D21-F291 HydrophobicContact CB-CE2 4.43Å; Y80-F291 AromaticContact CD1-CE1 3.49Å; Y80-F291 HydrophobicContact CD1-CE1 3.49Å; Y80-F291 VanDerWaalsContact CD1-CE1 3.49Å; Y80-F291 AromaticContact CD1-CZ 3.7Å; Y80-F291 HydrophobicContact CD1-CZ 3.7Å; Y80-F291 HydrophobicContact CE1-CE1 4.42Å; Y80-F291 AromaticContact CG-CE1 3.73Å; Y80-F291 HydrophobicContact CG-CE1 3.73Å; Y80-F291 HydrophobicContact CG-CZ 4.32Å; Q82-F291 HydrophobicContact CB-CE2 4.44Å; Q82-F291 HydrophobicContact CG-CE2 3.59Å; Q82-F291 HydrophobicContact CG-CZ 3.62Å; F291-F293 PolarHBondContact O-N 3.25Å; F291-L294 PolarHBondContact O-N 2.9Å; F291-I295 PolarHBondContact O-N 3.09Å; F291-I295 VanDerWaalsContact O-N 3.1Å
292	P	95.7	Very high	92.7	Very high	13 Å²	13	11.8 Å²	11.8	8%	0.084	6%	0.064	C	C	.	.	H	α-helix	trans	-56.8	-32.1	175.2	-27.5	35.4	0	0	0	114.2	L294 I295 A296 P361 A399 V448	P292-L294 VanDerWaalsContact C-N 3.3Å; P292-L294 PolarHBondContact O-N 2.97Å; P292-I295 PolarHBondContact O-N 3.12Å; P292-I295 VanDerWaalsContact O-N 3.17Å; P292-A296 WeakPolarHBondContact O-CA 3.35Å; P292-A296 VanDerWaalsContact O-CB 3.25Å; P292-A296 WeakPolarHBondContact O-CB 3.2Å; P292-A296 PolarHBondContact O-N 2.97Å; P292-P361 HydrophobicContact CB-CB 3.57Å; P292-P361 HydrophobicContact CB-CG 4.17Å; P292-P361 HydrophobicContact CG-CB 4.05Å; P292-A399 HydrophobicContact CG-CB 3.53Å; P292-V448 HydrophobicContact CB-CG2 4.25Å
293	F	95	Very high	92.9	Very high	3 Å²	3	13.5 Å²	13.5	1%	0.013	7%	0.072	C	C	.	.	I	π-helix	trans	-57.6	-44.5	174.7	-178.6	-87.4	0	0	0	111.7	T77 I79 E85 F291 G297 K298 Y335 Y337 V448	T77-F293 HydrophobicContact CG2-CE2 3.99Å; T77-F293 HydrophobicContact CG2-CZ 3.69Å; I79-F293 HydrophobicContact CD1-CD1 4.11Å; I79-F293 HydrophobicContact CD1-CE1 3.98Å; I79-F293 HydrophobicContact CG1-CD1 3.81Å; I79-F293 HydrophobicContact CG1-CE1 3.79Å; I79-F293 HydrophobicContact CG2-CD1 4.29Å; E85-F293 HydrophobicContact CB-CE1 4.39Å; F291-F293 PolarHBondContact O-N 3.25Å; F293-G297 WeakPolarHBondContact O-CA 3.16Å; F293-G297 PolarHBondContact O-N 2.91Å; F293-K298 PolarHBondContact O-N 3.12Å; F293-Y335 HydrophobicContact CE1-CD2 4.45Å; F293-Y335 AromaticContact CE1-CE2 3.93Å; F293-Y335 HydrophobicContact CE1-CE2 3.93Å; F293-Y335 HydrophobicContact CE2-CD2 4.11Å; F293-Y335 HydrophobicContact CE2-CE2 4.28Å; F293-Y335 HydrophobicContact CZ-CD2 4.02Å; F293-Y335 AromaticContact CZ-CE2 3.71Å; F293-Y335 HydrophobicContact CZ-CE2 3.71Å; F293-Y337 HydrophobicContact CB-CE1 4.17Å; F293-Y337 HydrophobicContact CB-CE2 4.36Å; F293-Y337 HydrophobicContact CD2-CD1 4.36Å; F293-Y337 AromaticContact CD2-CD2 3.69Å; F293-Y337 HydrophobicContact CD2-CD2 3.69Å; F293-Y337 HydrophobicContact CD2-CE1 4.14Å; F293-Y337 AromaticContact CD2-CE2 3.41Å; F293-Y337 HydrophobicContact CD2-CE2 3.41Å; F293-Y337 VanDerWaalsContact CD2-CE2 3.41Å; F293-Y337 HydrophobicContact CD2-CG 4.16Å; F293-Y337 AromaticContact CD2-CZ 3.68Å; F293-Y337 AromaticContact CE2-CD2 3.82Å; F293-Y337 HydrophobicContact CE2-CD2 3.82Å; F293-Y337 AromaticContact CE2-CE2 3.81Å; F293-Y337 HydrophobicContact CE2-CE2 3.81Å; F293-Y337 HydrophobicContact CG-CE1 4.49Å; F293-Y337 AromaticContact CG-CE2 3.9Å; F293-Y337 HydrophobicContact CG-CE2 3.9Å; F293-Y337 AromaticContact CG-CZ 3.87Å; F293-V448 HydrophobicContact CB-CG2 4.13Å
294	L	95	Very high	93.1	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	7%	0.07	C	C	.	.	I	π-helix	trans	-74.7	-25.1	178.7	-73.4	176.3	0	0	0	112.9	A20 I79 L94 F291 P292 K298 Y299	A20-L294 HydrophobicContact CB-CD1 3.98Å; I79-L294 HydrophobicContact CD1-CD2 3.84Å; I79-L294 HydrophobicContact CD1-CG 4.45Å; I79-L294 HydrophobicContact CG2-CD1 4.17Å; I79-L294 HydrophobicContact CG2-CG 4.08Å; L94-L294 HydrophobicContact CD1-CD2 4.07Å; L94-L294 HydrophobicContact CD2-CD2 4.09Å; F291-L294 PolarHBondContact O-N 2.9Å; P292-L294 VanDerWaalsContact C-N 3.3Å; P292-L294 PolarHBondContact O-N 2.97Å; L294-K298 HydrophobicContact CD2-CB 4.49Å; L294-K298 HydrophobicContact CD2-CD 4.24Å; L294-K298 WeakPolarHBondContact O-CB 3.46Å; L294-Y299 WeakPolarHBondContact O-CB 3.3Å; L294-Y299 PolarHBondContact O-N 3.35Å
295	I	97	Very high	93.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.07	C	C	.	.	I	π-helix	trans	-102.2	-54.9	-173.6	-60.6	-43.5	0	0	0	113.4	Y248 V277 S281 F291 P292 G297 Y299 G300	Y248-I295 HydrophobicContact CD2-CB 4.38Å; Y248-I295 HydrophobicContact CD2-CG1 3.56Å; Y248-I295 HydrophobicContact CE2-CG1 3.97Å; V277-I295 HydrophobicContact CB-CG2 4.43Å; V277-I295 HydrophobicContact CG1-CB 4.43Å; V277-I295 HydrophobicContact CG1-CD1 3.74Å; V277-I295 HydrophobicContact CG1-CG1 3.93Å; V277-I295 HydrophobicContact CG1-CG2 3.6Å; V277-I295 HydrophobicContact CG2-CG2 4.03Å; S281-I295 VanDerWaalsContact OG-CD1 3.31Å; S281-I295 WeakPolarHBondContact OG-CD1 3.15Å; F291-I295 PolarHBondContact O-N 3.09Å; F291-I295 VanDerWaalsContact O-N 3.1Å; P292-I295 PolarHBondContact O-N 3.12Å; P292-I295 VanDerWaalsContact O-N 3.17Å; I295-G297 VanDerWaalsContact C-N 3.29Å; I295-Y299 HydrophobicContact CD1-CG 4.43Å; I295-G300 PolarHBondContact O-N 3.26Å
296	A	98	Very high	93.7	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.008	7%	0.065	C	C	.	.	I	π-helix	trans	-66.1	-37.4	175.9	0	0	0	0	0	111.4	S252 P292 T332 P361 F450	S252-A296 PolarHBondContact OG-N 2.92Å; P292-A296 WeakPolarHBondContact O-CA 3.35Å; P292-A296 VanDerWaalsContact O-CB 3.25Å; P292-A296 WeakPolarHBondContact O-CB 3.2Å; P292-A296 PolarHBondContact O-N 2.97Å; A296-T332 WeakPolarHBondContact O-CB 3.26Å; A296-T332 VanDerWaalsContact O-CG2 3.3Å; A296-T332 WeakPolarHBondContact O-CG2 3.44Å; A296-T332 PolarHBondContact O-OG1 2.66Å; A296-P361 HydrophobicContact CB-CG 4.09Å; A296-F450 HydrophobicContact CB-CD1 3.79Å; A296-F450 HydrophobicContact CB-CE1 3.56Å; A296-F450 HydrophobicContact CB-CZ 4.35Å
297	G	96.2	Very high	93.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-84.4	-92.8	173.6	0	0	0	0	0	111.4	F293 I295 Y299 G300 E301 T332 Y335	F293-G297 WeakPolarHBondContact O-CA 3.16Å; F293-G297 PolarHBondContact O-N 2.91Å; I295-G297 VanDerWaalsContact C-N 3.29Å; G297-Y299 PolarHBondContact O-N 2.81Å; G297-G300 CarbonylContact O-C 3.6Å; G297-G300 WeakPolarHBondContact O-CA 3.26Å; G297-G300 PolarHBondContact O-N 3.46Å; G297-E301 PolarHBondContact O-N 2.99Å; G297-T332 PolarHBondContact O-OG1 3.06Å; G297-Y335 VanDerWaalsContact C-CD1 3.43Å; G297-Y335 VanDerWaalsContact CA-CD1 3.48Å
298	K	94.5	Very high	93.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-56.1	-51.5	-165.1	-169.6	173.9	179.2	39.2	0	115.4	L94 H116 Y283 F293 L294 G300 E301 D302 Y335	L94-K298 HydrophobicContact CD2-CD 3.69Å; H116-K298 PolarHBondContact CD2-NZ 2.91Å; H116-K298 PolarHBondContact NE2-NZ 3.48Å; Y283-K298 HydrophobicContact CD2-CB 4.37Å; Y283-K298 HydrophobicContact CD2-CD 4.14Å; Y283-K298 HydrophobicContact CD2-CG 4.02Å; Y283-K298 HydrophobicContact CE1-CD 4.39Å; Y283-K298 HydrophobicContact CE2-CB 4.44Å; Y283-K298 HydrophobicContact CE2-CD 3.83Å; Y283-K298 HydrophobicContact CE2-CG 3.65Å; Y283-K298 VanDerWaalsContact CZ-CE 3.46Å; F293-K298 PolarHBondContact O-N 3.12Å; L294-K298 HydrophobicContact CD2-CB 4.49Å; L294-K298 HydrophobicContact CD2-CD 4.24Å; L294-K298 WeakPolarHBondContact O-CB 3.46Å; K298-G300 VanDerWaalsContact C-N 3.31Å; K298-G300 PolarHBondContact O-N 2.61Å; K298-E301 PolarHBondContact O-N 2.98Å; K298-D302 WeakPolarHBondContact CE-OD2 3.47Å; K298-D302 VanDerWaalsContact CG-OD2 3.26Å; K298-D302 WeakPolarHBondContact CG-OD2 3.43Å; K298-D302 IonicContact NZ-OD1 2.73Å; K298-D302 IonicContact NZ-OD2 2.67Å; K298-D302 PolarHBondContact NZ-OD2 3.39Å; K298-D302 WeakPolarHBondContact O-CB 3.29Å; K298-D302 VanDerWaalsContact O-CG 3.3Å; K298-D302 PolarHBondContact O-N 3.34Å; K298-Y335 HydrophobicContact CB-CE1 4.33Å; K298-Y335 HydrophobicContact CB-CE2 4.34Å
299	Y	94.7	Very high	94	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.016	11%	0.114	C	C	.	.	I	π-helix	trans	-63.3	-39.1	177.2	-179	-86.7	0	0	0	111.5	V277 L294 I295 G297 E301 F303 G304 L305 R329	V277-Y299 HydrophobicContact CG2-CD1 4.25Å; V277-Y299 HydrophobicContact CG2-CE1 3.97Å; L294-Y299 WeakPolarHBondContact O-CB 3.3Å; L294-Y299 PolarHBondContact O-N 3.35Å; I295-Y299 HydrophobicContact CD1-CG 4.43Å; G297-Y299 PolarHBondContact O-N 2.81Å; Y299-E301 VanDerWaalsContact C-N 3.3Å; Y299-E301 PolarHBondContact O-N 2.85Å; Y299-F303 HydrophobicContact CD1-CB 4.48Å; Y299-F303 HydrophobicContact CD2-CB 4.19Å; Y299-F303 AromaticContact CD2-CD2 3.37Å; Y299-F303 HydrophobicContact CD2-CD2 3.37Å; Y299-F303 HydrophobicContact CD2-CE2 4.15Å; Y299-F303 HydrophobicContact CD2-CG 4.15Å; Y299-F303 HydrophobicContact CE1-CB 4.21Å; Y299-F303 HydrophobicContact CE2-CB 3.88Å; Y299-F303 AromaticContact CE2-CD2 3.61Å; Y299-F303 HydrophobicContact CE2-CD2 3.61Å; Y299-F303 HydrophobicContact CE2-CE2 4.47Å; Y299-F303 AromaticContact CE2-CG 3.98Å; Y299-F303 HydrophobicContact CE2-CG 3.98Å; Y299-F303 HydrophobicContact CG-CB 4.45Å; Y299-F303 HydrophobicContact CG-CD2 4.04Å; Y299-F303 CarbonylContact O-C 3.59Å; Y299-F303 WeakPolarHBondContact O-CA 3.33Å; Y299-F303 WeakPolarHBondContact O-CB 3.24Å; Y299-F303 PolarHBondContact O-N 3.19Å; Y299-G304 VanDerWaalsContact CE1-O 3.26Å; Y299-G304 WeakPolarHBondContact CE1-O 3.23Å; Y299-G304 PolarHBondContact O-N 2.82Å; Y299-L305 HydrophobicContact CD1-CD1 4.02Å; Y299-L305 HydrophobicContact CD1-CG 4.43Å; Y299-L305 HydrophobicContact CE1-CD1 4.27Å; Y299-L305 HydrophobicContact CE1-CG 4.25Å; Y299-R329 PolarHBondContact OH-NH2 2.65Å
300	G	96.2	Very high	94	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.8	-37.7	174.6	0	0	0	0	0	112.7	I295 G297 K298 G304 Y331 T332	I295-G300 PolarHBondContact O-N 3.26Å; G297-G300 CarbonylContact O-C 3.6Å; G297-G300 WeakPolarHBondContact O-CA 3.26Å; G297-G300 PolarHBondContact O-N 3.46Å; K298-G300 VanDerWaalsContact C-N 3.31Å; K298-G300 PolarHBondContact O-N 2.61Å; G300-G304 VanDerWaalsContact O-CA 3.22Å; G300-G304 WeakPolarHBondContact O-CA 3.21Å; G300-G304 PolarHBondContact O-N 3.45Å; G300-G304 VanDerWaalsContact O-N 3.14Å; G300-Y331 VanDerWaalsContact O-CA 3.27Å; G300-Y331 WeakPolarHBondContact O-CA 3.48Å; G300-Y331 WeakPolarHBondContact O-CD1 3.48Å; G300-T332 VanDerWaalsContact CA-OG1 3.32Å; G300-T332 WeakPolarHBondContact CA-OG1 3.37Å; G300-T332 PolarHBondContact O-N 2.85Å
301	E	94.3	Very high	93.9	Very high	48 Å²	48	26.9 Å²	26.9	22%	0.224	13%	0.133	C	C	.	.	H	α-helix	trans	-75.1	-49	176	-171.6	-177.5	-95.7	0	0	112.1	K92 G297 K298 Y299 Y331 T332 Y335	K92-E301 IonicContact NZ-OE1 3.04Å; K92-E301 PolarHBondContact NZ-OE1 3.4Å; K92-E301 IonicContact NZ-OE2 3.69Å; K92-E301 PolarHBondContact NZ-OE2 2.97Å; G297-E301 PolarHBondContact O-N 2.99Å; K298-E301 PolarHBondContact O-N 2.98Å; Y299-E301 VanDerWaalsContact C-N 3.3Å; Y299-E301 PolarHBondContact O-N 2.85Å; E301-Y331 WeakPolarHBondContact O-CD1 3.27Å; E301-T332 WeakPolarHBondContact CA-O 3.22Å; E301-T332 WeakPolarHBondContact CB-O 3.4Å; E301-T332 PolarHBondContact N-OG1 3.22Å; E301-T332 VanDerWaalsContact N-OG1 3.16Å; E301-Y335 HydrophobicContact CB-CD1 4.25Å; E301-Y335 HydrophobicContact CB-CE1 4.02Å; E301-Y335 HydrophobicContact CG-CE1 4.5Å
302	D	91.4	Very high	93.9	Very high	39 Å²	39	30.3 Å²	30.3	21%	0.209	16%	0.157	C	C	.	.	H	α-helix	trans	-76.7	-37.8	-171.8	-67.8	-23	0	0	0	112.6	H116 Y283 K298	H116-D302 IonicContact CE1-OD1 2.91Å; H116-D302 PolarHBondContact CE1-OD1 2.96Å; H116-D302 IonicContact ND1-OD1 3.13Å; H116-D302 IonicContact NE2-OD1 3.86Å; H116-D302 PolarHBondContact NE2-OD1 3.14Å; H116-D302 IonicContact NE2-OD2 3.51Å; Y283-D302 HydrophobicContact CE2-CB 4.48Å; Y283-D302 WeakPolarHBondContact CE2-OD2 3.35Å; Y283-D302 PolarHBondContact OH-OD2 3.35Å; K298-D302 WeakPolarHBondContact CE-OD2 3.47Å; K298-D302 VanDerWaalsContact CG-OD2 3.26Å; K298-D302 WeakPolarHBondContact CG-OD2 3.43Å; K298-D302 IonicContact NZ-OD1 2.73Å; K298-D302 IonicContact NZ-OD2 2.67Å; K298-D302 PolarHBondContact NZ-OD2 3.39Å; K298-D302 WeakPolarHBondContact O-CB 3.29Å; K298-D302 VanDerWaalsContact O-CG 3.3Å; K298-D302 PolarHBondContact O-N 3.34Å
303	F	91	Very high	93.9	Very high	39 Å²	39	33.1 Å²	33.1	17%	0.171	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-27.2	-172.3	-55.4	-67.9	0	0	0	112.7	L15 P282 Y283 Y299 R329 Y331	L15-F303 HydrophobicContact CD1-CE1 4.42Å; P282-F303 HydrophobicContact CG-CE2 3.62Å; P282-F303 HydrophobicContact CG-CZ 3.85Å; Y283-F303 HydrophobicContact CD2-CE2 4.31Å; Y283-F303 HydrophobicContact CE2-CD2 4.22Å; Y283-F303 AromaticContact CE2-CE2 3.56Å; Y283-F303 HydrophobicContact CE2-CE2 3.56Å; Y283-F303 AromaticContact CZ-CE2 3.91Å; Y299-F303 HydrophobicContact CD1-CB 4.48Å; Y299-F303 HydrophobicContact CD2-CB 4.19Å; Y299-F303 AromaticContact CD2-CD2 3.37Å; Y299-F303 HydrophobicContact CD2-CD2 3.37Å; Y299-F303 HydrophobicContact CD2-CE2 4.15Å; Y299-F303 HydrophobicContact CD2-CG 4.15Å; Y299-F303 HydrophobicContact CE1-CB 4.21Å; Y299-F303 HydrophobicContact CE2-CB 3.88Å; Y299-F303 AromaticContact CE2-CD2 3.61Å; Y299-F303 HydrophobicContact CE2-CD2 3.61Å; Y299-F303 HydrophobicContact CE2-CE2 4.47Å; Y299-F303 AromaticContact CE2-CG 3.98Å; Y299-F303 HydrophobicContact CE2-CG 3.98Å; Y299-F303 HydrophobicContact CG-CB 4.45Å; Y299-F303 HydrophobicContact CG-CD2 4.04Å; Y299-F303 CarbonylContact O-C 3.59Å; Y299-F303 WeakPolarHBondContact O-CA 3.33Å; Y299-F303 WeakPolarHBondContact O-CB 3.24Å; Y299-F303 PolarHBondContact O-N 3.19Å; F303-R329 VanDerWaalsContact O-CZ 3.32Å; F303-R329 PolarHBondContact O-NE 2.8Å; F303-R329 PolarHBondContact O-NH2 3.46Å; F303-Y331 VanDerWaalsContact C-CE1 3.4Å; F303-Y331 WeakPolarHBondContact O-CE1 3.13Å
304	G	94.3	Very high	93.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.			trans	66.2	171.4	-170.4	0	0	0	0	0	112.7	Y299 G300 R329 Y330	Y299-G304 VanDerWaalsContact CE1-O 3.26Å; Y299-G304 WeakPolarHBondContact CE1-O 3.23Å; Y299-G304 PolarHBondContact O-N 2.82Å; G300-G304 VanDerWaalsContact O-CA 3.22Å; G300-G304 WeakPolarHBondContact O-CA 3.21Å; G300-G304 PolarHBondContact O-N 3.45Å; G300-G304 VanDerWaalsContact O-N 3.14Å; G304-R329 PolarHBondContact O-NE 3.48Å; G304-R329 PolarHBondContact O-NH2 2.78Å; G304-Y330 CarbonylContact C-O 3.57Å; G304-Y330 WeakPolarHBondContact CA-O 3.43Å
305	L	95.7	Very high	93.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.6	-179.7	-76.2	80.3	0	0	0	110.7	A253 L256 L272 V277 Y299 R329 Y330	A253-L305 HydrophobicContact CB-CD2 4.01Å; L256-L305 HydrophobicContact CD2-CD1 4.09Å; L272-L305 HydrophobicContact CB-CB 4.35Å; L272-L305 HydrophobicContact CB-CD2 4.39Å; L272-L305 HydrophobicContact CD1-CB 4.02Å; L272-L305 HydrophobicContact CD1-CD2 4.2Å; L272-L305 HydrophobicContact CD2-CB 4.22Å; L272-L305 HydrophobicContact CG-CB 4.43Å; V277-L305 HydrophobicContact CG2-CD2 4.27Å; V277-L305 HydrophobicContact CG2-CG 4.48Å; Y299-L305 HydrophobicContact CD1-CD1 4.02Å; Y299-L305 HydrophobicContact CD1-CG 4.43Å; Y299-L305 HydrophobicContact CE1-CD1 4.27Å; Y299-L305 HydrophobicContact CE1-CG 4.25Å; L305-R329 WeakPolarHBondContact O-CA 3.2Å; L305-Y330 PolarHBondContact N-O 3.14Å; L305-Y330 PolarHBondContact O-N 2.98Å
306	P	95.2	Very high	93.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	169.4	172.1	36.1	-34.7	0	0	0	111	L272 S273 T276 R329	L272-P306 CarbonylContact C-O 3.47Å; L272-P306 WeakPolarHBondContact CA-O 3.36Å; S273-P306 PolarHBondContact N-O 3Å; T276-P306 HydrophobicContact CG2-CG 3.72Å; T276-P306 VanDerWaalsContact OG1-CG 3.22Å; T276-P306 WeakPolarHBondContact OG1-CG 3.48Å; P306-R329 HydrophobicContact CB-CG 4.46Å
307	Q	95.2	Very high	93.3	Very high	57 Å²	57	47.2 Å²	47.2	27%	0.266	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-76.8	150.6	176.5	-62.1	-170.1	67.5	0	0	112.8	P270 I271 I309 V310 Y330	P270-Q307 HydrophobicContact CB-CG 4.12Å; I271-Q307 CarbonylContact O-C 3.58Å; I271-Q307 WeakPolarHBondContact O-CA 2.89Å; I271-Q307 WeakPolarHBondContact O-CB 3.48Å; Q307-I309 HydrophobicContact CB-CG2 3.99Å; Q307-I309 PolarHBondContact O-N 3.35Å; Q307-I309 VanDerWaalsContact O-N 3.07Å; Q307-V310 WeakPolarHBondContact O-CB 3.01Å; Q307-V310 PolarHBondContact O-N 2.97Å; Q307-Y330 HydrophobicContact CG-CD2 4.49Å; Q307-Y330 HydrophobicContact CG-CE2 3.78Å
308	K	93	Very high	93	Very high	119 Å²	119	50 Å²	50	52%	0.517	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.6	177.5	72.1	164.2	178	178.9	0	114.2	I271 V310 I311 P312	I271-K308 HydrophobicContact CB-CD 4.07Å; I271-K308 HydrophobicContact CB-CG 4.01Å; I271-K308 HydrophobicContact CG2-CB 4.4Å; I271-K308 HydrophobicContact CG2-CD 3.47Å; I271-K308 VanDerWaalsContact CG2-CD 3.47Å; I271-K308 HydrophobicContact CG2-CG 3.78Å; I271-K308 PolarHBondContact O-N 2.82Å; K308-V310 PolarHBondContact O-N 3.03Å; K308-I311 CarbonylContact O-C 3.47Å; K308-I311 PolarHBondContact O-N 3.06Å; K308-P312 WeakPolarHBondContact O-CA 3.47Å; K308-P312 VanDerWaalsContact O-N 3.1Å
309	I	89.7	Confident	92.2	Very high	145 Å²	145	53.2 Å²	53.2	74%	0.744	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-26.1	177.6	-168.2	162.1	0	0	0	111.6	Q307	Q307-I309 HydrophobicContact CB-CG2 3.99Å; Q307-I309 PolarHBondContact O-N 3.35Å; Q307-I309 VanDerWaalsContact O-N 3.07Å
310	V	87.5	Confident	91.7	Very high	61 Å²	61	59.7 Å²	59.7	37%	0.37	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-46.7	175.8	-173.3	0	0	0	0	110.2	Q307 K308 C327	Q307-V310 WeakPolarHBondContact O-CB 3.01Å; Q307-V310 PolarHBondContact O-N 2.97Å; K308-V310 PolarHBondContact O-N 3.03Å; V310-C327 HydrophobicContact CG1-CB 4.19Å; V310-C327 HydrophobicContact CG2-CB 3.96Å
311	I	89.7	Confident	91.1	Very high	21 Å²	21	62.8 Å²	62.8	11%	0.108	34%	0.342	C	S	.	.	S	Bend	trans	-135.9	102.6	177.1	-54.9	-169.4	0	0	0	109.4	S273 Q275 K308 V323	S273-I311 WeakPolarHBondContact CB-O 3.4Å; S273-I311 PolarHBondContact OG-O 3.4Å; Q275-I311 HydrophobicContact CB-CG2 3.76Å; Q275-I311 HydrophobicContact CG-CG2 3.57Å; K308-I311 CarbonylContact O-C 3.47Å; K308-I311 PolarHBondContact O-N 3.06Å; I311-V323 HydrophobicContact CD1-CB 4.45Å; I311-V323 HydrophobicContact CD1-CG2 3.45Å; I311-V323 VanDerWaalsContact CD1-CG2 3.45Å
312	P	93.2	Very high	90.1	Very high	84 Å²	84	65.5 Å²	65.5	55%	0.545	36%	0.362	S	S	.	.			trans	-64.9	154.8	171.9	-22.9	34.9	0	0	0	112.1	Q275 K308	Q275-P312 WeakPolarHBondContact CG-O 3.26Å; K308-P312 WeakPolarHBondContact O-CA 3.47Å; K308-P312 VanDerWaalsContact O-N 3.1Å
313	Y	95.7	Very high	89.2	Confident	71 Å²	71	65.1 Å²	65.1	28%	0.278	36%	0.361	S	S	.	.			trans	-76	127.7	177.7	-172	-104.7	0	0	0	111.7	N240 Q241 S246 P274 Q275 G315	N240-Y313 WeakPolarHBondContact O-CE1 3.49Å; Q241-Y313 WeakPolarHBondContact CA-OH 3.26Å; Q241-Y313 PolarHBondContact O-OH 2.87Å; S246-Y313 PolarHBondContact OG-OH 3.26Å; P274-Y313 HydrophobicContact CB-CD2 4.25Å; P274-Y313 HydrophobicContact CB-CE2 4.47Å; Q275-Y313 HydrophobicContact CB-CD2 4.17Å; Y313-G315 VanDerWaalsContact CE1-CA 3.5Å; Y313-G315 WeakPolarHBondContact OH-CA 3.19Å
314	T	94.7	Very high	88.4	Confident	80 Å²	80	66.4 Å²	66.4	49%	0.491	38%	0.375	S	S	.	.			trans	-108.5	-24.7	175.3	58.8	0	0	0	0	111.9	Q275 E316	Q275-T314 VanDerWaalsContact CD-OG1 3.25Å; Q275-T314 PolarHBondContact NE2-OG1 2.96Å; Q275-T314 PolarHBondContact OE1-OG1 2.78Å; Q275-T314 VanDerWaalsContact OE1-OG1 3.08Å; T314-E316 VanDerWaalsContact C-N 3.34Å
315	G	93.6	Very high	87.4	Confident	11 Å²	11	73.6 Å²	73.6	11%	0.113	41%	0.406	C	S	.	.	S	Bend	trans	72.6	28.5	-177.1	0	0	0	0	0	113.4	C244 Y313	C244-G315 VanDerWaalsContact CB-O 3.3Å; C244-G315 WeakPolarHBondContact CB-O 3.23Å; Y313-G315 VanDerWaalsContact CE1-CA 3.5Å; Y313-G315 WeakPolarHBondContact OH-CA 3.19Å
316	E	93.3	Very high	86.8	Confident	133 Å²	133	80.8 Å²	80.8	62%	0.621	45%	0.445	S	S	*	.	S	Bend	trans	-142.2	153.1	178.8	-63.6	179.6	172.7	0	0	109.7	Q275 T314 T318	Q275-E316 PolarHBondContact NE2-O 3.39Å; T314-E316 VanDerWaalsContact C-N 3.34Å; E316-T318 PolarHBondContact O-N 2.68Å
317	D	91.2	Very high	86.4	Confident	79 Å²	79	81.9 Å²	81.9	42%	0.422	45%	0.452	S	S	.	.			trans	-73.4	100.2	166.5	-64.4	-44	0	0	0	108.7	V278 G286 C287 G319	V278-D317 WeakPolarHBondContact CG1-OD1 3.39Å; G286-D317 WeakPolarHBondContact CA-OD1 3.35Å; C287-D317 PolarHBondContact N-OD1 3.4Å; C287-D317 PolarHBondContact N-OD2 2.72Å; D317-G319 PolarHBondContact O-N 2.73Å
318	T	88.4	Confident	86.3	Confident	59 Å²	59	83.6 Å²	83.6	36%	0.362	47%	0.466	S	S	.	.			trans	-75.2	-15.3	-177.8	71.5	0	0	0	0	112.3	D279 E316 K320	D279-T318 WeakPolarHBondContact OD1-CB 3.42Å; D279-T318 PolarHBondContact OD1-N 2.88Å; D279-T318 PolarHBondContact OD1-OG1 3.19Å; D279-T318 PolarHBondContact OD2-OG1 2.82Å; E316-T318 PolarHBondContact O-N 2.68Å; T318-K320 PolarHBondContact O-N 3.15Å; T318-K320 PolarHBondContact OG1-N 2.72Å
319	G	79.3	Confident	86.4	Confident	67 Å²	67	80.4 Å²	80.4	69%	0.691	45%	0.451	S	S	*	.	S	Bend	trans	67.6	8.9	-173.8	0	0	0	0	0	113.7	D317	D317-G319 PolarHBondContact O-N 2.73Å
320	K	83	Confident	86.7	Confident	140 Å²	140	74.8 Å²	74.8	61%	0.609	42%	0.421	S	S	*	.			trans	-123.3	104.1	-174.4	-69	-179.2	-173.9	173.8	0	110.5	T318 T322	T318-K320 PolarHBondContact O-N 3.15Å; T318-K320 PolarHBondContact OG1-N 2.72Å; K320-T322 HydrophobicContact CB-CG2 3.95Å; K320-T322 PolarHBondContact O-N 2.81Å
321	C	83.4	Confident	87.2	Confident	65 Å²	65	76.3 Å²	76.3	44%	0.439	42%	0.421	S	S	.	.			trans	-84.4	86.8	166	-174.2	0	0	0	0	110.4	C280	C280-C321 HydrophobicContact CB-CB 3.95Å; C280-C321 WeakPolarHBondContact CB-SG 3.41Å; C280-C321 WeakPolarHBondContact SG-CA 3.39Å; C280-C321 WeakPolarHBondContact SG-CB 3.41Å; C280-C321 CovalentContact SG-SG 2.04Å; C280-C321 PolarHBondContact SG-SG 3.23Å
322	T	73.3	Confident	87.6	Confident	105 Å²	105	75.4 Å²	75.4	64%	0.644	42%	0.416	S	S	*	.			trans	-105.8	26.3	-172.5	49.1	0	0	0	0	114.2	K320 S324	K320-T322 HydrophobicContact CB-CG2 3.95Å; K320-T322 PolarHBondContact O-N 2.81Å; T322-S324 PolarHBondContact O-N 2.91Å
323	V	72	Confident	87.7	Confident	31 Å²	31	74.2 Å²	74.2	19%	0.188	41%	0.408	C	S	.	.			trans	-69	123.5	-179.6	-170.7	0	0	0	0	110.5	T276 I311 K325 C327	T276-V323 HydrophobicContact CG2-CG2 3.53Å; I311-V323 HydrophobicContact CD1-CB 4.45Å; I311-V323 HydrophobicContact CD1-CG2 3.45Å; I311-V323 VanDerWaalsContact CD1-CG2 3.45Å; V323-K325 PolarHBondContact O-N 3.45Å; V323-C327 WeakPolarHBondContact CG1-SG 3.45Å
324	S	74.5	Confident	87.7	Confident	66 Å²	66	75.4 Å²	75.4	46%	0.462	42%	0.419	S	S	.	.			trans	-59.9	132.6	169.6	175.2	0	0	0	0	110.3	T322 N326 C327	T322-S324 PolarHBondContact O-N 2.91Å; S324-N326 PolarHBondContact O-N 3.07Å; S324-N326 PolarHBondContact OG-N 2.75Å; S324-C327 PolarHBondContact O-N 2.99Å; S324-C327 PolarHBondContact O-SG 3.45Å
325	K	74	Confident	87.8	Confident	151 Å²	151	72.3 Å²	72.3	66%	0.657	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.8	176	-66.8	-174.9	178	-177.7	0	113.6	V323	V323-K325 PolarHBondContact O-N 3.45Å
326	N	82.3	Confident	88	Confident	151 Å²	151	73 Å²	73	81%	0.807	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	5.7	-175	-64.4	-8.3	0	0	0	113.9	S324	S324-N326 PolarHBondContact O-N 3.07Å; S324-N326 PolarHBondContact OG-N 2.75Å
327	C	88.5	Confident	88	Confident	23 Å²	23	66.8 Å²	66.8	16%	0.155	37%	0.372	C	S	.	.	S	Bend	trans	-77	142.8	175.7	68.6	0	0	0	0	111.2	V310 V323 S324 R329	V310-C327 HydrophobicContact CG1-CB 4.19Å; V310-C327 HydrophobicContact CG2-CB 3.96Å; V323-C327 WeakPolarHBondContact CG1-SG 3.45Å; S324-C327 PolarHBondContact O-N 2.99Å; S324-C327 PolarHBondContact O-SG 3.45Å; C327-R329 WeakPolarHBondContact O-CG 3.45Å; C327-R329 PolarHBondContact O-N 3.41Å
328	T	92.4	Very high	88.2	Confident	93 Å²	93	63.3 Å²	63.3	57%	0.571	35%	0.353	S	S	*	.			trans	-59.7	133.6	169.5	-51.9	0	0	0	0	110.4	Y330	T328-Y330 HydrophobicContact CG2-CE2 4.16Å
329	R	94.4	Very high	88.4	Confident	52 Å²	52	62.5 Å²	62.5	20%	0.196	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.2	178	-55.3	-177.2	70.4	97	-9	109	Y299 F303 G304 L305 P306 C327 Y331	Y299-R329 PolarHBondContact OH-NH2 2.65Å; F303-R329 VanDerWaalsContact O-CZ 3.32Å; F303-R329 PolarHBondContact O-NE 2.8Å; F303-R329 PolarHBondContact O-NH2 3.46Å; G304-R329 PolarHBondContact O-NE 3.48Å; G304-R329 PolarHBondContact O-NH2 2.78Å; L305-R329 WeakPolarHBondContact O-CA 3.2Å; P306-R329 HydrophobicContact CB-CG 4.46Å; C327-R329 WeakPolarHBondContact O-CG 3.45Å; C327-R329 PolarHBondContact O-N 3.41Å; R329-Y331 HydrophobicContact CB-CE2 3.77Å
330	Y	97.4	Very high	89	Confident	27 Å²	27	61.1 Å²	61.1	11%	0.106	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.2	179.7	-65.6	-92.1	0	0	0	109	I260 E268 P270 L272 G304 L305 Q307 T328	I260-Y330 HydrophobicContact CD1-CD1 3.46Å; I260-Y330 VanDerWaalsContact CD1-CD1 3.46Å; I260-Y330 HydrophobicContact CD1-CE1 4.25Å; I260-Y330 HydrophobicContact CD1-CG 3.81Å; I260-Y330 HydrophobicContact CG1-CD1 4.4Å; E268-Y330 WeakPolarHBondContact OE2-CE1 3.34Å; P270-Y330 HydrophobicContact CB-CD2 4.08Å; P270-Y330 HydrophobicContact CB-CE1 4.12Å; P270-Y330 HydrophobicContact CB-CE2 3.52Å; P270-Y330 HydrophobicContact CG-CD1 4.12Å; P270-Y330 HydrophobicContact CG-CD2 4.33Å; P270-Y330 HydrophobicContact CG-CE1 3.76Å; P270-Y330 HydrophobicContact CG-CE2 4.03Å; P270-Y330 HydrophobicContact CG-CG 4.36Å; L272-Y330 HydrophobicContact CD2-CD2 3.49Å; L272-Y330 VanDerWaalsContact CD2-CD2 3.49Å; L272-Y330 HydrophobicContact CD2-CE2 4.2Å; L272-Y330 HydrophobicContact CD2-CG 4.06Å; G304-Y330 CarbonylContact C-O 3.57Å; G304-Y330 WeakPolarHBondContact CA-O 3.43Å; L305-Y330 PolarHBondContact N-O 3.14Å; L305-Y330 PolarHBondContact O-N 2.98Å; Q307-Y330 HydrophobicContact CG-CD2 4.49Å; Q307-Y330 HydrophobicContact CG-CE2 3.78Å; T328-Y330 HydrophobicContact CG2-CE2 4.16Å
331	Y	97.3	Very high	89.4	Confident	93 Å²	93	55.3 Å²	55.3	37%	0.365	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	159.3	-171.5	-67	-96.6	0	0	0	111.3	G300 E301 F303 R329 V453	G300-Y331 VanDerWaalsContact O-CA 3.27Å; G300-Y331 WeakPolarHBondContact O-CA 3.48Å; G300-Y331 WeakPolarHBondContact O-CD1 3.48Å; E301-Y331 WeakPolarHBondContact O-CD1 3.27Å; F303-Y331 VanDerWaalsContact C-CE1 3.4Å; F303-Y331 WeakPolarHBondContact O-CE1 3.13Å; R329-Y331 HydrophobicContact CB-CE2 3.77Å; Y331-V453 PolarHBondContact O-N 3.32Å
332	T	97.7	Very high	89.6	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	161.3	172	64.4	0	0	0	0	110.4	L256 A296 G297 G300 E301 F450 D451	L256-T332 HydrophobicContact CD1-CG2 3.73Å; L256-T332 HydrophobicContact CD2-CG2 3.75Å; L256-T332 HydrophobicContact CG-CG2 4.26Å; A296-T332 WeakPolarHBondContact O-CB 3.26Å; A296-T332 VanDerWaalsContact O-CG2 3.3Å; A296-T332 WeakPolarHBondContact O-CG2 3.44Å; A296-T332 PolarHBondContact O-OG1 2.66Å; G297-T332 PolarHBondContact O-OG1 3.06Å; G300-T332 VanDerWaalsContact CA-OG1 3.32Å; G300-T332 WeakPolarHBondContact CA-OG1 3.37Å; G300-T332 PolarHBondContact O-N 2.85Å; E301-T332 WeakPolarHBondContact CA-O 3.22Å; E301-T332 WeakPolarHBondContact CB-O 3.4Å; E301-T332 PolarHBondContact N-OG1 3.22Å; E301-T332 VanDerWaalsContact N-OG1 3.16Å; T332-F450 HydrophobicContact CG2-CD2 3.49Å; T332-F450 VanDerWaalsContact CG2-CD2 3.49Å; T332-F450 HydrophobicContact CG2-CE2 3.82Å; T332-F450 HydrophobicContact CG2-CG 4.2Å; T332-D451 CarbonylContact C-O 3.56Å; T332-D451 VanDerWaalsContact CA-O 3.29Å; T332-D451 WeakPolarHBondContact CA-O 3.33Å
333	T	96.2	Very high	90.1	Very high	59 Å²	59	48.9 Å²	48.9	36%	0.362	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	173.6	173.7	-164.6	0	0	0	0	110	Y335 D451 V453	T333-Y335 PolarHBondContact O-N 3.3Å; T333-D451 HydrophobicContact CG2-CB 4.15Å; T333-D451 PolarHBondContact N-O 2.93Å; T333-D451 PolarHBondContact O-N 3.43Å; T333-V453 HydrophobicContact CG2-CG2 4.03Å
334	D	95	Very high	90.9	Very high	96 Å²	96	47.8 Å²	47.8	51%	0.513	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.9	35.9	175.6	-160.9	15.7	0	0	0	113.9	R449	D334-R449 VanDerWaalsContact CB-NH2 3.3Å; D334-R449 PolarHBondContact O-NE 3.47Å; D334-R449 VanDerWaalsContact O-NE 3.16Å; D334-R449 PolarHBondContact O-NH2 3.22Å; D334-R449 IonicContact OD1-NH2 3.62Å; D334-R449 IonicContact OD2-CZ 3.2Å; D334-R449 IonicContact OD2-NH2 2.76Å; D334-R449 PolarHBondContact OD2-NH2 2.96Å
335	Y	97.3	Very high	91.6	Very high	15 Å²	15	44.7 Å²	44.7	6%	0.059	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	143.4	-177.2	67.9	-96.6	0	0	0	112.1	E85 K92 F293 G297 K298 E301 T333 R449	E85-Y335 VanDerWaalsContact OE1-CE2 3.27Å; E85-Y335 WeakPolarHBondContact OE1-CE2 3.44Å; E85-Y335 PolarHBondContact OE1-OH 3.29Å; E85-Y335 PolarHBondContact OE2-OH 3.21Å; K92-Y335 WeakPolarHBondContact CD-OH 3.41Å; K92-Y335 VanDerWaalsContact NZ-CZ 3.27Å; K92-Y335 PolarHBondContact NZ-OH 2.63Å; K92-Y335 VanDerWaalsContact NZ-OH 3.11Å; F293-Y335 HydrophobicContact CE1-CD2 4.45Å; F293-Y335 AromaticContact CE1-CE2 3.93Å; F293-Y335 HydrophobicContact CE1-CE2 3.93Å; F293-Y335 HydrophobicContact CE2-CD2 4.11Å; F293-Y335 HydrophobicContact CE2-CE2 4.28Å; F293-Y335 HydrophobicContact CZ-CD2 4.02Å; F293-Y335 AromaticContact CZ-CE2 3.71Å; F293-Y335 HydrophobicContact CZ-CE2 3.71Å; G297-Y335 VanDerWaalsContact C-CD1 3.43Å; G297-Y335 VanDerWaalsContact CA-CD1 3.48Å; K298-Y335 HydrophobicContact CB-CE1 4.33Å; K298-Y335 HydrophobicContact CB-CE2 4.34Å; E301-Y335 HydrophobicContact CB-CD1 4.25Å; E301-Y335 HydrophobicContact CB-CE1 4.02Å; E301-Y335 HydrophobicContact CG-CE1 4.5Å; T333-Y335 PolarHBondContact O-N 3.3Å; Y335-R449 CarbonylContact C-O 3.4Å; Y335-R449 WeakPolarHBondContact CA-O 3.39Å
336	S	96.6	Very high	92.3	Very high	25 Å²	25	38 Å²	38	18%	0.175	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	166.6	174.4	56.2	0	0	0	0	111.1	V448 R449	S336-V448 WeakPolarHBondContact O-CA 3.33Å; S336-R449 PolarHBondContact N-O 2.77Å; S336-R449 WeakPolarHBondContact O-CG 3.41Å; S336-R449 PolarHBondContact O-N 2.69Å; S336-R449 WeakPolarHBondContact OG-CD 3.5Å; S336-R449 WeakPolarHBondContact OG-CG 3.49Å
337	Y	94.6	Very high	92.9	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	143.1	159.6	-72	-69.7	0	0	0	109.1	T77 L78 F293 G339 G340 Y342 L446 G447 V448	T77-Y337 HydrophobicContact CG2-CD2 4.34Å; T77-Y337 HydrophobicContact CG2-CE2 4.46Å; T77-Y337 WeakPolarHBondContact OG1-CD2 3.49Å; L78-Y337 VanDerWaalsContact O-CE2 3.26Å; L78-Y337 WeakPolarHBondContact O-CE2 3.42Å; F293-Y337 HydrophobicContact CB-CE1 4.17Å; F293-Y337 HydrophobicContact CB-CE2 4.36Å; F293-Y337 HydrophobicContact CD2-CD1 4.36Å; F293-Y337 AromaticContact CD2-CD2 3.69Å; F293-Y337 HydrophobicContact CD2-CD2 3.69Å; F293-Y337 HydrophobicContact CD2-CE1 4.14Å; F293-Y337 AromaticContact CD2-CE2 3.41Å; F293-Y337 HydrophobicContact CD2-CE2 3.41Å; F293-Y337 VanDerWaalsContact CD2-CE2 3.41Å; F293-Y337 HydrophobicContact CD2-CG 4.16Å; F293-Y337 AromaticContact CD2-CZ 3.68Å; F293-Y337 AromaticContact CE2-CD2 3.82Å; F293-Y337 HydrophobicContact CE2-CD2 3.82Å; F293-Y337 AromaticContact CE2-CE2 3.81Å; F293-Y337 HydrophobicContact CE2-CE2 3.81Å; F293-Y337 HydrophobicContact CG-CE1 4.49Å; F293-Y337 AromaticContact CG-CE2 3.9Å; F293-Y337 HydrophobicContact CG-CE2 3.9Å; F293-Y337 AromaticContact CG-CZ 3.87Å; Y337-G339 PolarHBondContact O-N 2.84Å; Y337-G339 VanDerWaalsContact O-N 3.11Å; Y337-G340 WeakPolarHBondContact O-CA 3.27Å; Y337-G340 PolarHBondContact O-N 3.22Å; Y337-Y342 HydrophobicContact CE2-CD2 4.47Å; Y337-L446 HydrophobicContact CD1-CD2 4.46Å; Y337-L446 HydrophobicContact CE1-CD2 3.63Å; Y337-G447 CarbonylContact C-O 3.41Å; Y337-G447 WeakPolarHBondContact CA-O 3.24Å; Y337-V448 HydrophobicContact CD1-CG2 4.04Å; Y337-V448 HydrophobicContact CE1-CG2 3.97Å
338	I	94.8	Very high	93.2	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.031	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	120.3	173.3	-68.1	174.4	0	0	0	108.2	A344 T345 L349 M350 E353 F360 G447 R449	I338-A344 CarbonylContact O-C 3.53Å; I338-T345 HydrophobicContact CB-CG2 4.13Å; I338-T345 HydrophobicContact CG2-CG2 4.34Å; I338-T345 WeakPolarHBondContact O-CA 3.38Å; I338-T345 PolarHBondContact O-N 3.28Å; I338-T345 PolarHBondContact O-OG1 3.04Å; I338-L349 HydrophobicContact CG2-CB 3.42Å; I338-L349 VanDerWaalsContact CG2-CB 3.42Å; I338-L349 HydrophobicContact CG2-CD1 4.41Å; I338-M350 HydrophobicContact CD1-CG 4.16Å; I338-M350 HydrophobicContact CG2-CG 4.48Å; I338-E353 HydrophobicContact CD1-CB 3.93Å; I338-E353 HydrophobicContact CD1-CG 3.75Å; I338-E353 HydrophobicContact CG1-CB 4.4Å; I338-E353 HydrophobicContact CG1-CG 4.11Å; I338-F360 HydrophobicContact CD1-CD1 4.16Å; I338-F360 HydrophobicContact CD1-CD2 3.65Å; I338-F360 HydrophobicContact CD1-CE1 3.9Å; I338-F360 HydrophobicContact CD1-CE2 3.37Å; I338-F360 HydrophobicContact CD1-CG 4.05Å; I338-F360 HydrophobicContact CD1-CZ 3.51Å; I338-G447 PolarHBondContact N-O 2.65Å; I338-R449 HydrophobicContact CG1-CB 4.18Å; I338-R449 HydrophobicContact CG1-CG 4.4Å
339	G	92.1	Very high	93.3	Very high	42 Å²	42	31.4 Å²	31.4	43%	0.433	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	1.1	-171.3	0	0	0	0	0	115.5	Y337 A344	Y337-G339 PolarHBondContact O-N 2.84Å; Y337-G339 VanDerWaalsContact O-N 3.11Å; G339-A344 WeakPolarHBondContact O-CB 3.38Å
340	G	92.9	Very high	93.4	Very high	37 Å²	37	29 Å²	29	38%	0.381	16%	0.164	S	C	.	.	S	Bend	trans	101.2	-31.8	170.7	0	0	0	0	0	115	Y337	Y337-G340 WeakPolarHBondContact O-CA 3.27Å; Y337-G340 PolarHBondContact O-N 3.22Å
341	Y	91.5	Very high	93.4	Very high	18 Å²	18	28.1 Å²	28.1	7%	0.071	16%	0.161	C	C	.	.	S	Bend	trans	-147.2	162.9	-176.2	64.8	-89.5	0	0	0	112.8	P63 D64 K205 G343 A344	P63-Y341 HydrophobicContact CB-CD1 4.43Å; P63-Y341 HydrophobicContact CB-CD2 4.23Å; P63-Y341 HydrophobicContact CB-CE1 3.97Å; P63-Y341 HydrophobicContact CB-CE2 3.78Å; P63-Y341 HydrophobicContact CG-CD1 4.31Å; P63-Y341 HydrophobicContact CG-CE1 3.72Å; P63-Y341 HydrophobicContact CG-CE2 4.43Å; D64-Y341 HydrophobicContact CB-CD1 3.75Å; D64-Y341 HydrophobicContact CB-CG 3.88Å; K205-Y341 WeakPolarHBondContact CE-OH 3.42Å; K205-Y341 PolarHBondContact NZ-OH 3.47Å; Y341-G343 PolarHBondContact O-N 2.86Å; Y341-A344 HydrophobicContact CD1-CB 3.8Å; Y341-A344 HydrophobicContact CD2-CB 4.05Å; Y341-A344 HydrophobicContact CE1-CB 3.62Å; Y341-A344 HydrophobicContact CE2-CB 3.86Å; Y341-A344 HydrophobicContact CG-CB 4Å; Y341-A344 WeakPolarHBondContact O-CB 3.48Å; Y341-A344 PolarHBondContact O-N 3.09Å
342	Y	87.5	Confident	93.4	Very high	30 Å²	30	25.1 Å²	25.1	12%	0.118	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	122.9	177.5	174.2	-104.1	0	0	0	111.5	T77 L78 Y80 R198 Y337 L446	T77-Y342 PolarHBondContact OG1-N 3.45Å; L78-Y342 HydrophobicContact CB-CD1 3.94Å; L78-Y342 HydrophobicContact CB-CG 4.17Å; L78-Y342 HydrophobicContact CD1-CD1 3.98Å; L78-Y342 HydrophobicContact CD1-CE1 4.42Å; L78-Y342 WeakPolarHBondContact O-CB 3.26Å; Y80-Y342 AromaticContact CD2-CE2 3.95Å; Y80-Y342 HydrophobicContact CD2-CE2 3.95Å; R198-Y342 PolarHBondContact NE-OH 3.38Å; R198-Y342 VanDerWaalsContact NE-OH 3.15Å; Y337-Y342 HydrophobicContact CE2-CD2 4.47Å; Y342-L446 HydrophobicContact CD2-CD2 3.6Å; Y342-L446 HydrophobicContact CE2-CD2 3.4Å; Y342-L446 VanDerWaalsContact CE2-CD2 3.4Å; Y342-L446 HydrophobicContact CE2-CG 4.28Å
343	G	82.3	Confident	93.4	Very high	6 Å²	6	25.8 Å²	25.8	6%	0.062	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-5.5	-175.7	0	0	0	0	0	115	Y341 T345	Y341-G343 PolarHBondContact O-N 2.86Å; G343-T345 VanDerWaalsContact C-N 3.34Å
344	A	88.6	Confident	93.5	Very high	7 Å²	7	23 Å²	23	6%	0.058	14%	0.136	C	C	.	.			trans	-78.6	-18.7	173.3	0	0	0	0	0	113.7	I338 G339 Y341	I338-A344 CarbonylContact O-C 3.53Å; G339-A344 WeakPolarHBondContact O-CB 3.38Å; Y341-A344 HydrophobicContact CD1-CB 3.8Å; Y341-A344 HydrophobicContact CD2-CB 4.05Å; Y341-A344 HydrophobicContact CE1-CB 3.62Å; Y341-A344 HydrophobicContact CE2-CB 3.86Å; Y341-A344 HydrophobicContact CG-CB 4Å; Y341-A344 WeakPolarHBondContact O-CB 3.48Å; Y341-A344 PolarHBondContact O-N 3.09Å
345	T	89.8	Confident	93.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	12%	0.122	C	C	.	.			trans	-62.7	137.9	-176.2	-53.4	0	0	0	0	111	I338 G343 M350 E444	I338-T345 HydrophobicContact CB-CG2 4.13Å; I338-T345 HydrophobicContact CG2-CG2 4.34Å; I338-T345 WeakPolarHBondContact O-CA 3.38Å; I338-T345 PolarHBondContact O-N 3.28Å; I338-T345 PolarHBondContact O-OG1 3.04Å; G343-T345 VanDerWaalsContact C-N 3.34Å; T345-M350 HydrophobicContact CG2-CG 3.7Å; T345-M350 HydrophobicContact CG2-SD 3.61Å; T345-E444 CarbonylContact C-O 3.37Å; T345-E444 VanDerWaalsContact CG2-O 3.26Å; T345-E444 WeakPolarHBondContact CG2-O 3.4Å
346	N	89.9	Confident	93.5	Very high	10 Å²	10	23.5 Å²	23.5	5%	0.053	15%	0.146	C	C	.	.			trans	-151	167.3	174.2	65.1	65.5	0	0	0	110.6	K348 L349 M350	N346-K348 VanDerWaalsContact C-N 3.34Å; N346-K348 PolarHBondContact O-N 2.75Å; N346-K348 PolarHBondContact OD1-N 3Å; N346-K348 VanDerWaalsContact OD1-N 3.08Å; N346-L349 VanDerWaalsContact ND2-CD1 3.29Å; N346-L349 WeakPolarHBondContact ND2-CD1 3.31Å; N346-L349 PolarHBondContact O-N 2.81Å; N346-L349 PolarHBondContact OD1-N 3.29Å; N346-M350 VanDerWaalsContact O-CG 3.31Å; N346-M350 WeakPolarHBondContact O-CG 3.42Å; N346-M350 PolarHBondContact O-N 3.06Å
347	E	93.6	Very high	93.6	Very high	37 Å²	37	25.1 Å²	25.1	17%	0.173	15%	0.153	C	C	.	.	H	α-helix	trans	-48.5	-50.8	-178.9	-175.6	-159	-168.5	0	0	113	M350 Q351 W416 R436	E347-M350 WeakPolarHBondContact O-CB 3.15Å; E347-M350 PolarHBondContact O-N 3.33Å; E347-Q351 WeakPolarHBondContact O-CG 3.26Å; E347-Q351 PolarHBondContact O-N 2.98Å; E347-W416 HydrophobicContact CB-CZ2 4.39Å; E347-W416 HydrophobicContact CG-CH2 4.43Å; E347-W416 HydrophobicContact CG-CZ2 3.8Å; E347-R436 HydrophobicContact CG-CG 3.85Å; E347-R436 WeakPolarHBondContact OE1-CG 3.44Å; E347-R436 IonicContact OE1-CZ 3.68Å; E347-R436 IonicContact OE1-NH1 2.63Å; E347-R436 PolarHBondContact OE1-NH1 3.2Å
348	K	94.7	Very high	93.8	Very high	51 Å²	51	25 Å²	25	22%	0.222	15%	0.153	C	C	.	.	H	α-helix	trans	-67.9	-41.1	-174.1	-62.9	-48.7	-175.7	-167.7	0	112.7	P207 L211 T215 N346 M350 Q351 L352	P207-K348 HydrophobicContact CB-CG 4.31Å; P207-K348 HydrophobicContact CG-CB 4.44Å; P207-K348 HydrophobicContact CG-CG 4.01Å; L211-K348 HydrophobicContact CD1-CB 4.33Å; L211-K348 HydrophobicContact CD2-CB 4.06Å; L211-K348 HydrophobicContact CG-CB 4Å; T215-K348 HydrophobicContact CG2-CB 3.85Å; T215-K348 HydrophobicContact CG2-CD 4.39Å; N346-K348 VanDerWaalsContact C-N 3.34Å; N346-K348 PolarHBondContact O-N 2.75Å; N346-K348 PolarHBondContact OD1-N 3Å; N346-K348 VanDerWaalsContact OD1-N 3.08Å; K348-M350 VanDerWaalsContact C-N 3.31Å; K348-Q351 VanDerWaalsContact CD-OE1 3.29Å; K348-Q351 VanDerWaalsContact NZ-OE1 3.16Å; K348-Q351 PolarHBondContact O-N 2.8Å; K348-L352 PolarHBondContact O-N 2.78Å; K348-L352 VanDerWaalsContact O-N 3.13Å
349	L	95.1	Very high	94	Very high	42 Å²	42	24.7 Å²	24.7	22%	0.22	15%	0.151	C	C	.	.	H	α-helix	trans	-64.8	-37.7	174.2	-67.4	175.9	0	0	0	111.7	L211 I338 N346 L352 E353	L211-L349 HydrophobicContact CD1-CD2 3.81Å; L211-L349 HydrophobicContact CD2-CD2 3.71Å; L211-L349 HydrophobicContact CD2-CG 3.77Å; L211-L349 HydrophobicContact CG-CD2 4.45Å; I338-L349 HydrophobicContact CG2-CB 3.42Å; I338-L349 VanDerWaalsContact CG2-CB 3.42Å; I338-L349 HydrophobicContact CG2-CD1 4.41Å; N346-L349 VanDerWaalsContact ND2-CD1 3.29Å; N346-L349 WeakPolarHBondContact ND2-CD1 3.31Å; N346-L349 PolarHBondContact O-N 2.81Å; N346-L349 PolarHBondContact OD1-N 3.29Å; L349-L352 PolarHBondContact O-N 3.11Å; L349-E353 WeakPolarHBondContact O-CB 3.33Å; L349-E353 PolarHBondContact O-N 2.89Å
350	M	96.7	Very high	94.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.2	-41.4	175.7	-73.2	167.7	66.2	0	0	112.3	I338 T345 N346 E347 K348 L352 E353 L354 F360 V362 L402 W416 E444	I338-M350 HydrophobicContact CD1-CG 4.16Å; I338-M350 HydrophobicContact CG2-CG 4.48Å; T345-M350 HydrophobicContact CG2-CG 3.7Å; T345-M350 HydrophobicContact CG2-SD 3.61Å; N346-M350 VanDerWaalsContact O-CG 3.31Å; N346-M350 WeakPolarHBondContact O-CG 3.42Å; N346-M350 PolarHBondContact O-N 3.06Å; E347-M350 WeakPolarHBondContact O-CB 3.15Å; E347-M350 PolarHBondContact O-N 3.33Å; K348-M350 VanDerWaalsContact C-N 3.31Å; M350-L352 VanDerWaalsContact C-N 3.35Å; M350-L352 PolarHBondContact O-N 3.25Å; M350-E353 PolarHBondContact O-N 2.04Å; M350-L354 VanDerWaalsContact O-CB 3.29Å; M350-L354 WeakPolarHBondContact O-CB 3.06Å; M350-L354 PolarHBondContact O-N 3.31Å; M350-F360 HydrophobicContact CB-CZ 3.85Å; M350-F360 HydrophobicContact CE-CE2 4.31Å; M350-F360 HydrophobicContact CE-CZ 4.42Å; M350-F360 HydrophobicContact CG-CE2 4.21Å; M350-F360 HydrophobicContact CG-CZ 3.95Å; M350-V362 HydrophobicContact CE-CG1 4.08Å; M350-L402 HydrophobicContact CE-CD1 3.25Å; M350-W416 HydrophobicContact CB-CH2 3.77Å; M350-W416 HydrophobicContact CB-CZ2 4.09Å; M350-W416 HydrophobicContact CE-CD2 4.48Å; M350-W416 HydrophobicContact CE-CH2 4.44Å; M350-W416 HydrophobicContact CE-CZ2 4Å; M350-W416 HydrophobicContact SD-CZ2 4.44Å; M350-E444 HydrophobicContact CE-CB 4.4Å; M350-E444 HydrophobicContact CE-CG 4.32Å; M350-E444 WeakPolarHBondContact SD-CA 2.97Å; M350-E444 HydrophobicContact SD-CB 3.75Å; M350-E444 HydrophobicContact SD-CG 4.17Å
351	Q	97.4	Very high	94.6	Very high	9 Å²	9	21 Å²	21	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-60.2	-45	174.4	-66.6	-174.6	-78.4	0	0	111.3	L218 E347 K348 L354 I355 Y405 W416	L218-Q351 HydrophobicContact CD1-CB 3.72Å; E347-Q351 WeakPolarHBondContact O-CG 3.26Å; E347-Q351 PolarHBondContact O-N 2.98Å; K348-Q351 VanDerWaalsContact CD-OE1 3.29Å; K348-Q351 VanDerWaalsContact NZ-OE1 3.16Å; K348-Q351 PolarHBondContact O-N 2.8Å; Q351-L354 PolarHBondContact O-N 2.73Å; Q351-I355 WeakPolarHBondContact O-CG1 3.38Å; Q351-I355 PolarHBondContact O-N 3.48Å; Q351-I355 VanDerWaalsContact O-N 3.13Å; Q351-Y405 HydrophobicContact CB-CE1 4.17Å; Q351-Y405 HydrophobicContact CG-CD1 4.27Å; Q351-Y405 HydrophobicContact CG-CE1 4.03Å; Q351-W416 HydrophobicContact CG-CH2 3.59Å; Q351-W416 HydrophobicContact CG-CZ3 4.17Å
352	L	96.5	Very high	94.8	Very high	30 Å²	30	20.1 Å²	20.1	16%	0.157	11%	0.109	C	C	.	.	H	α-helix	trans	-62.8	-48.4	178.4	-75.6	172.1	0	0	0	112.5	L211 L214 T215 L218 K348 L349 M350 L354 I355 S356	L211-L352 HydrophobicContact CD1-CD1 3.36Å; L214-L352 HydrophobicContact CD2-CD1 3.85Å; L214-L352 HydrophobicContact CD2-CD2 4.21Å; L214-L352 HydrophobicContact CG-CD1 4.44Å; L214-L352 HydrophobicContact CG-CD2 4.21Å; T215-L352 HydrophobicContact CG2-CD1 3.62Å; T215-L352 HydrophobicContact CG2-CD2 3.96Å; T215-L352 HydrophobicContact CG2-CG 3.54Å; L218-L352 HydrophobicContact CD1-CD2 3.92Å; L218-L352 HydrophobicContact CD1-CG 4.18Å; L218-L352 HydrophobicContact CD2-CD2 4.13Å; L218-L352 HydrophobicContact CG-CD2 4.45Å; K348-L352 PolarHBondContact O-N 2.78Å; K348-L352 VanDerWaalsContact O-N 3.13Å; L349-L352 PolarHBondContact O-N 3.11Å; M350-L352 VanDerWaalsContact C-N 3.35Å; M350-L352 PolarHBondContact O-N 3.25Å; L352-L354 VanDerWaalsContact C-N 3.31Å; L352-L354 PolarHBondContact O-N 3.41Å; L352-I355 PolarHBondContact O-N 2.64Å; L352-S356 VanDerWaalsContact O-CB 3.25Å; L352-S356 WeakPolarHBondContact O-CB 3.1Å; L352-S356 PolarHBondContact O-N 2.88Å; L352-S356 PolarHBondContact O-OG 3.24Å
353	E	97.9	Very high	95	Very high	17 Å²	17	19 Å²	19	8%	0.079	11%	0.107	C	C	.	.	H	α-helix	trans	-61.7	-42.2	179.8	179.1	60.1	-161.9	0	0	111.1	R259 I338 L349 M350 N357 G358 F360 R449	R259-E353 IonicContact CZ-OE1 3.68Å; R259-E353 IonicContact NH1-OE1 2.63Å; R259-E353 PolarHBondContact NH1-OE1 3.36Å; R259-E353 IonicContact NH2-OE1 3.55Å; R259-E353 PolarHBondContact NH2-OE1 2.79Å; I338-E353 HydrophobicContact CD1-CB 3.93Å; I338-E353 HydrophobicContact CD1-CG 3.75Å; I338-E353 HydrophobicContact CG1-CB 4.4Å; I338-E353 HydrophobicContact CG1-CG 4.11Å; L349-E353 WeakPolarHBondContact O-CB 3.33Å; L349-E353 PolarHBondContact O-N 2.89Å; M350-E353 PolarHBondContact O-N 2.04Å; E353-N357 WeakPolarHBondContact O-CB 3.3Å; E353-N357 PolarHBondContact O-N 2.96Å; E353-N357 WeakPolarHBondContact OE1-CB 3.29Å; E353-N357 PolarHBondContact OE1-ND2 2.73Å; E353-N357 PolarHBondContact OE2-ND2 2.93Å; E353-G358 PolarHBondContact O-N 3.17Å; E353-F360 HydrophobicContact CB-CD1 4.32Å; E353-F360 HydrophobicContact CB-CE1 3.96Å; E353-F360 HydrophobicContact CG-CD1 3.67Å; E353-F360 HydrophobicContact CG-CE1 3.84Å; E353-F360 HydrophobicContact CG-CG 4.42Å; E353-R449 HydrophobicContact CG-CB 4.18Å; E353-R449 VanDerWaalsContact OE1-CB 3.27Å; E353-R449 WeakPolarHBondContact OE1-CB 3.21Å
354	L	98.5	Very high	95.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.6	-48.8	-179.6	-175	66.8	0	0	0	111.4	F222 W224 M350 Q351 L352 G358 F360 L402 Y405	F222-L354 HydrophobicContact CD1-CD2 4.23Å; F222-L354 HydrophobicContact CD1-CG 4.38Å; W224-L354 PolarHBondContact NE1-O 2.78Å; M350-L354 VanDerWaalsContact O-CB 3.29Å; M350-L354 WeakPolarHBondContact O-CB 3.06Å; M350-L354 PolarHBondContact O-N 3.31Å; Q351-L354 PolarHBondContact O-N 2.73Å; L352-L354 VanDerWaalsContact C-N 3.31Å; L352-L354 PolarHBondContact O-N 3.41Å; L354-G358 WeakPolarHBondContact O-CA 3.41Å; L354-G358 PolarHBondContact O-N 2.95Å; L354-G358 VanDerWaalsContact O-N 3.1Å; L354-F360 HydrophobicContact CB-CE1 3.87Å; L354-F360 HydrophobicContact CD1-CD1 4.48Å; L354-F360 HydrophobicContact CD1-CE1 4.28Å; L354-L402 HydrophobicContact CB-CD2 4.44Å; L354-L402 HydrophobicContact CD1-CD2 3.69Å; L354-L402 HydrophobicContact CD2-CD2 3.59Å; L354-L402 HydrophobicContact CG-CD2 4.1Å; L354-Y405 HydrophobicContact CD2-CD1 3.81Å; L354-Y405 HydrophobicContact CD2-CE1 4.28Å
355	I	97.1	Very high	95.5	Very high	41 Å²	41	19.8 Å²	19.8	21%	0.21	11%	0.108	C	C	.	.	H	α-helix	trans	-69.8	-41.6	-176.6	-71	174.6	0	0	0	111	L218 P219 F222 Q351 L352 Y405	L218-I355 HydrophobicContact CB-CD1 4.19Å; L218-I355 HydrophobicContact CD1-CD1 4.29Å; L218-I355 HydrophobicContact CD2-CD1 3.84Å; L218-I355 HydrophobicContact CG-CD1 4.31Å; P219-I355 HydrophobicContact CG-CD1 3.92Å; F222-I355 HydrophobicContact CB-CD1 4.43Å; F222-I355 HydrophobicContact CB-CG1 4.35Å; F222-I355 HydrophobicContact CD1-CG1 4.02Å; F222-I355 HydrophobicContact CD2-CD1 4.31Å; F222-I355 HydrophobicContact CD2-CG1 3.91Å; F222-I355 HydrophobicContact CE1-CG1 4.33Å; F222-I355 HydrophobicContact CE2-CG1 4.21Å; F222-I355 HydrophobicContact CG-CD1 4.3Å; F222-I355 HydrophobicContact CG-CG1 3.8Å; F222-I355 HydrophobicContact CZ-CG1 4.42Å; Q351-I355 WeakPolarHBondContact O-CG1 3.38Å; Q351-I355 PolarHBondContact O-N 3.48Å; Q351-I355 VanDerWaalsContact O-N 3.13Å; L352-I355 PolarHBondContact O-N 2.64Å; I355-Y405 HydrophobicContact CD1-CE1 4.07Å; I355-Y405 VanDerWaalsContact CD1-OH 3.24Å; I355-Y405 WeakPolarHBondContact CD1-OH 3.45Å; I355-Y405 HydrophobicContact CG1-CE1 4.38Å
356	S	96.1	Very high	95.5	Very high	82 Å²	82	19.7 Å²	19.7	57%	0.573	11%	0.108	S	C	*	.	H	α-helix	trans	-79.4	-40	-171.9	-50.1	0	0	0	0	112.3	L352	L352-S356 VanDerWaalsContact O-CB 3.25Å; L352-S356 WeakPolarHBondContact O-CB 3.1Å; L352-S356 PolarHBondContact O-N 2.88Å; L352-S356 PolarHBondContact O-OG 3.24Å
357	N	98	Very high	95.4	Very high	59 Å²	59	22.1 Å²	22.1	32%	0.316	12%	0.116	S	C	.	.	H	α-helix	trans	-123.4	-8.2	-165.5	-62.2	-43.5	0	0	0	113.9	R259 E353	R259-N357 WeakPolarHBondContact CG-O 3.19Å; R259-N357 PolarHBondContact NE-O 2.85Å; E353-N357 WeakPolarHBondContact O-CB 3.3Å; E353-N357 PolarHBondContact O-N 2.96Å; E353-N357 WeakPolarHBondContact OE1-CB 3.29Å; E353-N357 PolarHBondContact OE1-ND2 2.73Å; E353-N357 PolarHBondContact OE2-ND2 2.93Å
358	G	98.5	Very high	95.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.			trans	100.6	-179.3	177.4	0	0	0	0	0	114.9	R259 E353 L354	R259-G358 PolarHBondContact NH2-O 2.84Å; E353-G358 PolarHBondContact O-N 3.17Å; L354-G358 WeakPolarHBondContact O-CA 3.41Å; L354-G358 PolarHBondContact O-N 2.95Å; L354-G358 VanDerWaalsContact O-N 3.1Å
359	P	98.8	Very high	95	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.			trans	-53.2	147.9	179	-26.5	36.2	0	0	0	113.4	W224 V235 A258 R259 L401 L402 V403	W224-P359 HydrophobicContact CB-CG 3.97Å; W224-P359 VanDerWaalsContact CD1-CD 3.44Å; W224-P359 HydrophobicContact CG-CG 3.89Å; V235-P359 HydrophobicContact CG2-CG 4.09Å; A258-P359 HydrophobicContact CB-CB 4.29Å; A258-P359 HydrophobicContact CB-CG 3.86Å; R259-P359 PolarHBondContact NE-O 3.41Å; P359-L401 HydrophobicContact CB-CD1 3.9Å; P359-L401 HydrophobicContact CB-CD2 3.99Å; P359-L401 HydrophobicContact CB-CG 4Å; P359-L402 VanDerWaalsContact CA-O 3.31Å; P359-L402 WeakPolarHBondContact CA-O 3.23Å; P359-L402 WeakPolarHBondContact CB-O 3.2Å; P359-V403 HydrophobicContact CB-CG1 4.25Å; P359-V403 HydrophobicContact CG-CG1 4.42Å
360	F	98.8	Very high	95	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	155.5	179.3	56.7	-97.5	0	0	0	112.8	I338 M350 E353 L354 V362 L402 V448	I338-F360 HydrophobicContact CD1-CD1 4.16Å; I338-F360 HydrophobicContact CD1-CD2 3.65Å; I338-F360 HydrophobicContact CD1-CE1 3.9Å; I338-F360 HydrophobicContact CD1-CE2 3.37Å; I338-F360 HydrophobicContact CD1-CG 4.05Å; I338-F360 HydrophobicContact CD1-CZ 3.51Å; M350-F360 HydrophobicContact CB-CZ 3.85Å; M350-F360 HydrophobicContact CE-CE2 4.31Å; M350-F360 HydrophobicContact CE-CZ 4.42Å; M350-F360 HydrophobicContact CG-CE2 4.21Å; M350-F360 HydrophobicContact CG-CZ 3.95Å; E353-F360 HydrophobicContact CB-CD1 4.32Å; E353-F360 HydrophobicContact CB-CE1 3.96Å; E353-F360 HydrophobicContact CG-CD1 3.67Å; E353-F360 HydrophobicContact CG-CE1 3.84Å; E353-F360 HydrophobicContact CG-CG 4.42Å; L354-F360 HydrophobicContact CB-CE1 3.87Å; L354-F360 HydrophobicContact CD1-CD1 4.48Å; L354-F360 HydrophobicContact CD1-CE1 4.28Å; F360-V362 HydrophobicContact CD2-CG1 3.85Å; F360-V362 HydrophobicContact CE2-CG1 3.53Å; F360-L402 HydrophobicContact CE1-CD2 4.35Å; F360-L402 HydrophobicContact CE2-CB 4.21Å; F360-L402 HydrophobicContact CE2-CD1 4.16Å; F360-L402 HydrophobicContact CZ-CB 4.46Å; F360-L402 HydrophobicContact CZ-CD1 4.11Å; F360-L402 HydrophobicContact CZ-CD2 4.09Å; F360-L402 HydrophobicContact CZ-CG 4.48Å; F360-L402 PolarHBondContact N-O 3.08Å; F360-L402 PolarHBondContact O-N 3.3Å; F360-V448 WeakPolarHBondContact CB-O 3.18Å
361	P	98.5	Very high	94.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	140.8	177.1	-15.9	32.2	0	0	0	111.7	P251 A255 P292 A296 V400 V448	P251-P361 HydrophobicContact CB-CB 4.15Å; P251-P361 HydrophobicContact CG-CB 4.39Å; A255-P361 HydrophobicContact CB-CG 3.96Å; P292-P361 HydrophobicContact CB-CB 3.57Å; P292-P361 HydrophobicContact CB-CG 4.17Å; P292-P361 HydrophobicContact CG-CB 4.05Å; A296-P361 HydrophobicContact CB-CG 4.09Å; P361-V400 CarbonylContact C-O 3.09Å; P361-V400 WeakPolarHBondContact CA-O 3.47Å; P361-V448 WeakPolarHBondContact CD-O 3.36Å; P361-V448 PolarHBondContact O-N 2.6Å
362	V	96.2	Very high	94.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	157.9	167.3	-62.7	0	0	0	0	109.4	M350 F360 A399 V400 L402 V443	M350-V362 HydrophobicContact CE-CG1 4.08Å; F360-V362 HydrophobicContact CD2-CG1 3.85Å; F360-V362 HydrophobicContact CE2-CG1 3.53Å; V362-A399 WeakPolarHBondContact O-CA 3.42Å; V362-V400 HydrophobicContact CG2-CG2 3.66Å; V362-V400 PolarHBondContact N-O 2.84Å; V362-V400 PolarHBondContact O-N 3.36Å; V362-L402 HydrophobicContact CG1-CB 4.06Å; V362-L402 HydrophobicContact CG1-CD1 4.02Å; V362-L402 HydrophobicContact CG2-CB 4.32Å; V362-V443 HydrophobicContact CG2-CG2 3.88Å
363	G	91.8	Very high	94.9	Very high	8 Å²	8	14.8 Å²	14.8	8%	0.082	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	147.2	167.8	0	0	0	0	0	110.4	H398 G442 V443	G363-H398 CarbonylContact C-O 3.56Å; G363-H398 VanDerWaalsContact CA-O 3.27Å; G363-H398 WeakPolarHBondContact CA-O 3.39Å; G363-G442 VanDerWaalsContact O-O 3.09Å; G363-V443 WeakPolarHBondContact O-CA 3.5Å
364	F	92	Very high	94.9	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	165.5	171	81.2	-67.9	0	0	0	110.3	V366 F370 H398 V400 F432 I434 C441 V443	F364-V366 HydrophobicContact CE1-CG2 4.07Å; F364-V366 HydrophobicContact CE2-CG2 3.76Å; F364-V366 HydrophobicContact CZ-CG2 3.46Å; F364-V366 VanDerWaalsContact CZ-CG2 3.46Å; F364-F370 HydrophobicContact CE2-CD1 4.27Å; F364-F370 HydrophobicContact CE2-CD2 4.22Å; F364-F370 HydrophobicContact CE2-CE1 4.09Å; F364-F370 HydrophobicContact CE2-CE2 4.02Å; F364-F370 HydrophobicContact CE2-CG 4.33Å; F364-F370 AromaticContact CE2-CZ 3.94Å; F364-F370 HydrophobicContact CE2-CZ 3.94Å; F364-F370 HydrophobicContact CZ-CD1 4.09Å; F364-F370 AromaticContact CZ-CE1 3.54Å; F364-F370 HydrophobicContact CZ-CE1 3.54Å; F364-F370 HydrophobicContact CZ-CE2 4.05Å; F364-F370 AromaticContact CZ-CZ 3.49Å; F364-F370 HydrophobicContact CZ-CZ 3.49Å; F364-F370 VanDerWaalsContact CZ-CZ 3.49Å; F364-H398 HydrophobicContact CD1-CB 4.21Å; F364-H398 HydrophobicContact CE1-CB 3.78Å; F364-H398 AromaticContact CE1-CD2 3.55Å; F364-H398 HydrophobicContact CZ-CB 4.35Å; F364-H398 AromaticContact CZ-CD2 3.98Å; F364-H398 PolarHBondContact N-O 3.45Å; F364-H398 PolarHBondContact O-N 2.83Å; F364-V400 HydrophobicContact CD1-CG1 4.39Å; F364-V400 HydrophobicContact CD1-CG2 3.73Å; F364-V400 HydrophobicContact CE1-CB 4.45Å; F364-V400 HydrophobicContact CE1-CG1 3.72Å; F364-V400 HydrophobicContact CE1-CG2 3.85Å; F364-F432 HydrophobicContact CE1-CZ 4.02Å; F364-F432 HydrophobicContact CE2-CZ 4.47Å; F364-F432 AromaticContact CZ-CZ 3.95Å; F364-F432 HydrophobicContact CZ-CZ 3.95Å; F364-I434 HydrophobicContact CD2-CD1 4.37Å; F364-C441 CarbonylContact C-O 3.51Å; F364-C441 VanDerWaalsContact CA-O 3.27Å; F364-C441 WeakPolarHBondContact CA-O 3.4Å; F364-C441 HydrophobicContact CB-CB 4.41Å; F364-C441 WeakPolarHBondContact CB-O 3.46Å; F364-C441 HydrophobicContact CD2-CB 3.97Å; F364-V443 HydrophobicContact CB-CB 3.89Å; F364-V443 HydrophobicContact CB-CG2 4.17Å
365	E	88.9	Confident	94.9	Very high	27 Å²	27	20.2 Å²	20.2	13%	0.126	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.7	-179.6	-62.4	177.8	155.8	0	0	110.6	Y367 L395 T396 C441	E365-Y367 HydrophobicContact CB-CE2 4.08Å; E365-Y367 PolarHBondContact OE2-OH 2.77Å; E365-L395 HydrophobicContact CB-CD1 3.68Å; E365-L395 HydrophobicContact CB-CD2 4.28Å; E365-L395 HydrophobicContact CB-CG 4.04Å; E365-L395 HydrophobicContact CG-CD1 4.48Å; E365-L395 HydrophobicContact CG-CD2 4.21Å; E365-L395 HydrophobicContact CG-CG 4.34Å; E365-T396 CarbonylContact C-O 3.49Å; E365-T396 WeakPolarHBondContact CA-O 3.49Å; E365-C441 HydrophobicContact CB-CB 4.31Å; E365-C441 PolarHBondContact N-O 2.75Å; E365-C441 WeakPolarHBondContact O-CB 3.16Å
366	V	90.2	Very high	94.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118.2	176.9	172.6	0	0	0	0	109.7	A189 F364 F370 F393 T396 H398 W422	A189-V366 HydrophobicContact CB-CB 4.09Å; A189-V366 HydrophobicContact CB-CG1 3.83Å; F364-V366 HydrophobicContact CE1-CG2 4.07Å; F364-V366 HydrophobicContact CE2-CG2 3.76Å; F364-V366 HydrophobicContact CZ-CG2 3.46Å; F364-V366 VanDerWaalsContact CZ-CG2 3.46Å; V366-F370 HydrophobicContact CG1-CB 4.32Å; V366-F370 HydrophobicContact CG1-CD1 3.92Å; V366-F370 HydrophobicContact CG2-CD1 4.05Å; V366-F370 HydrophobicContact CG2-CE1 4.33Å; V366-F393 HydrophobicContact CG1-CZ 4.1Å; V366-F393 WeakPolarHBondContact O-CE1 3.21Å; V366-T396 PolarHBondContact N-O 3.44Å; V366-H398 HydrophobicContact CG2-CB 3.37Å; V366-W422 HydrophobicContact CG1-CH2 4.22Å
367	Y	88.4	Confident	95.1	Very high	61 Å²	61	14.9 Å²	14.9	24%	0.239	7%	0.074	C	C	.	.	P	Polyproline II helix	trans	-95.4	165.8	170.5	-65.3	-92.5	0	0	0	111.1	E365 D369 F370 H380 F393 L395 C441	E365-Y367 HydrophobicContact CB-CE2 4.08Å; E365-Y367 PolarHBondContact OE2-OH 2.77Å; Y367-D369 VanDerWaalsContact C-N 3.29Å; Y367-D369 VanDerWaalsContact CB-OD1 3.28Å; Y367-D369 WeakPolarHBondContact CB-OD1 3.42Å; Y367-D369 PolarHBondContact O-N 3.45Å; Y367-F370 WeakPolarHBondContact O-CB 2.99Å; Y367-F370 PolarHBondContact O-N 3.35Å; Y367-H380 VanDerWaalsContact CB-ND1 3.31Å; Y367-H380 WeakPolarHBondContact CB-ND1 3.45Å; Y367-H380 AromaticContact CD1-CD2 3.66Å; Y367-H380 AromaticContact CD1-CE1 3.26Å; Y367-H380 WeakPolarHBondContact CD1-CE1 3.32Å; Y367-H380 AromaticContact CD1-CG 3.78Å; Y367-H380 AromaticContact CD1-ND1 3.54Å; Y367-H380 AromaticContact CD1-NE2 3.33Å; Y367-H380 VanDerWaalsContact CD1-NE2 3.33Å; Y367-H380 WeakPolarHBondContact CD1-NE2 3.4Å; Y367-H380 HydrophobicContact CD2-CB 3.88Å; Y367-H380 AromaticContact CD2-CG 3.61Å; Y367-H380 AromaticContact CD2-ND1 3.76Å; Y367-H380 AromaticContact CE1-CD2 3.56Å; Y367-H380 AromaticContact CE1-CE1 3.92Å; Y367-H380 AromaticContact CE1-NE2 3.49Å; Y367-H380 WeakPolarHBondContact CE1-NE2 2.97Å; Y367-H380 HydrophobicContact CE2-CB 4.06Å; Y367-H380 AromaticContact CE2-CG 3.88Å; Y367-H380 HydrophobicContact CG-CB 4.3Å; Y367-H380 AromaticContact CG-CD2 3.93Å; Y367-H380 AromaticContact CG-CE1 3.49Å; Y367-H380 VanDerWaalsContact CG-CE1 3.49Å; Y367-H380 AromaticContact CG-CG 3.55Å; Y367-H380 AromaticContact CG-ND1 3.26Å; Y367-H380 VanDerWaalsContact CG-ND1 3.26Å; Y367-H380 AromaticContact CG-NE2 3.9Å; Y367-H380 AromaticContact CZ-CD2 3.75Å; Y367-F393 VanDerWaalsContact C-CE1 3.44Å; Y367-L395 HydrophobicContact CD1-CD1 3.65Å; Y367-L395 HydrophobicContact CD2-CD1 3.91Å; Y367-L395 HydrophobicContact CE1-CD1 3.47Å; Y367-L395 VanDerWaalsContact CE1-CD1 3.47Å; Y367-L395 HydrophobicContact CE2-CD1 3.73Å; Y367-L395 HydrophobicContact CG-CD1 3.88Å; Y367-C441 HydrophobicContact CE2-CB 4.29Å
368	E	87.2	Confident	95.1	Very high	11 Å²	11	12.1 Å²	12.1	5%	0.051	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-39.2	-178	-171.2	-177.9	-169	0	0	111.9	Y152 F158 F370 Q371 F372 N391 F393	Y152-E368 PolarHBondContact OH-OE1 3.39Å; F158-E368 HydrophobicContact CE1-CB 4.48Å; F158-E368 HydrophobicContact CE1-CG 3.97Å; F158-E368 HydrophobicContact CZ-CG 4.44Å; E368-F370 VanDerWaalsContact C-N 3.27Å; E368-F370 PolarHBondContact O-N 2.89Å; E368-Q371 WeakPolarHBondContact O-CB 3.48Å; E368-Q371 PolarHBondContact O-N 3Å; E368-Q371 VanDerWaalsContact O-N 3.16Å; E368-F372 HydrophobicContact CG-CE2 4.45Å; E368-F372 WeakPolarHBondContact O-CD2 3.46Å; E368-N391 PolarHBondContact OE2-ND2 2.98Å; E368-N391 PolarHBondContact OE2-OD1 3.31Å; E368-F393 HydrophobicContact CB-CB 4.05Å; E368-F393 HydrophobicContact CB-CD1 3.75Å; E368-F393 HydrophobicContact CB-CD2 4.45Å; E368-F393 HydrophobicContact CB-CE1 4.35Å; E368-F393 HydrophobicContact CB-CG 3.81Å; E368-F393 HydrophobicContact CG-CB 4.17Å; E368-F393 HydrophobicContact CG-CD2 4.42Å; E368-F393 HydrophobicContact CG-CG 4.11Å
369	D	92.3	Very high	94.9	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.016	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-63.6	-31.7	-179.5	61.8	-3.7	0	0	0	112.9	F158 I162 W169 Y367 Q371 F372 Y378 H380 T381	F158-D369 HydrophobicContact CZ-CB 4.17Å; I162-D369 HydrophobicContact CD1-CB 3.68Å; I162-D369 HydrophobicContact CG1-CB 4.43Å; W169-D369 HydrophobicContact CH2-CB 3.98Å; W169-D369 WeakPolarHBondContact CH2-O 3.39Å; W169-D369 HydrophobicContact CZ2-CB 4.13Å; Y367-D369 VanDerWaalsContact C-N 3.29Å; Y367-D369 VanDerWaalsContact CB-OD1 3.28Å; Y367-D369 WeakPolarHBondContact CB-OD1 3.42Å; Y367-D369 PolarHBondContact O-N 3.45Å; D369-Q371 PolarHBondContact O-N 2.63Å; D369-F372 PolarHBondContact O-N 3.09Å; D369-Y378 PolarHBondContact OD1-OH 3.49Å; D369-H380 IonicContact OD1-ND1 3.44Å; D369-H380 PolarHBondContact OD1-ND1 3.28Å; D369-H380 IonicContact OD2-CE1 2.88Å; D369-H380 IonicContact OD2-ND1 3.65Å; D369-H380 PolarHBondContact OD2-ND1 2.86Å; D369-T381 WeakPolarHBondContact OD2-CB 3.47Å; D369-T381 PolarHBondContact OD2-N 3.34Å; D369-T381 PolarHBondContact OD2-OG1 3Å
370	F	95.4	Very high	94.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-60.4	-31.3	176.2	-174.9	-105.1	0	0	0	112.6	F364 V366 Y367 E368 F372 Y373 Y378 W422 W426 F432	F364-F370 HydrophobicContact CE2-CD1 4.27Å; F364-F370 HydrophobicContact CE2-CD2 4.22Å; F364-F370 HydrophobicContact CE2-CE1 4.09Å; F364-F370 HydrophobicContact CE2-CE2 4.02Å; F364-F370 HydrophobicContact CE2-CG 4.33Å; F364-F370 AromaticContact CE2-CZ 3.94Å; F364-F370 HydrophobicContact CE2-CZ 3.94Å; F364-F370 HydrophobicContact CZ-CD1 4.09Å; F364-F370 AromaticContact CZ-CE1 3.54Å; F364-F370 HydrophobicContact CZ-CE1 3.54Å; F364-F370 HydrophobicContact CZ-CE2 4.05Å; F364-F370 AromaticContact CZ-CZ 3.49Å; F364-F370 HydrophobicContact CZ-CZ 3.49Å; F364-F370 VanDerWaalsContact CZ-CZ 3.49Å; V366-F370 HydrophobicContact CG1-CB 4.32Å; V366-F370 HydrophobicContact CG1-CD1 3.92Å; V366-F370 HydrophobicContact CG2-CD1 4.05Å; V366-F370 HydrophobicContact CG2-CE1 4.33Å; Y367-F370 WeakPolarHBondContact O-CB 2.99Å; Y367-F370 PolarHBondContact O-N 3.35Å; E368-F370 VanDerWaalsContact C-N 3.27Å; E368-F370 PolarHBondContact O-N 2.89Å; F370-F372 PolarHBondContact O-N 2.84Å; F370-F372 VanDerWaalsContact O-N 3.08Å; F370-Y373 WeakPolarHBondContact O-CB 3.24Å; F370-Y373 PolarHBondContact O-N 3.03Å; F370-Y378 HydrophobicContact CB-CE1 4.41Å; F370-Y378 HydrophobicContact CB-CE2 3.99Å; F370-Y378 AromaticContact CD2-CD1 3.9Å; F370-Y378 HydrophobicContact CD2-CD1 3.9Å; F370-Y378 HydrophobicContact CD2-CD2 4.01Å; F370-Y378 AromaticContact CD2-CE1 3.77Å; F370-Y378 HydrophobicContact CD2-CE1 3.77Å; F370-Y378 AromaticContact CD2-CE2 3.9Å; F370-Y378 HydrophobicContact CD2-CE2 3.9Å; F370-Y378 HydrophobicContact CD2-CG 4.02Å; F370-Y378 AromaticContact CD2-CZ 3.79Å; F370-Y378 HydrophobicContact CE2-CD1 4.37Å; F370-Y378 HydrophobicContact CE2-CG 4.48Å; F370-Y378 HydrophobicContact CG-CE1 4.48Å; F370-Y378 HydrophobicContact CG-CE2 4.46Å; F370-W422 AromaticContact CD1-CH2 3.6Å; F370-W422 HydrophobicContact CD1-CH2 3.6Å; F370-W422 AromaticContact CD1-CZ3 3.7Å; F370-W422 HydrophobicContact CD1-CZ3 3.7Å; F370-W422 HydrophobicContact CE1-CE3 4.42Å; F370-W422 AromaticContact CE1-CH2 3.58Å; F370-W422 HydrophobicContact CE1-CH2 3.58Å; F370-W422 HydrophobicContact CE1-CZ2 4.46Å; F370-W422 AromaticContact CE1-CZ3 3.55Å; F370-W422 HydrophobicContact CE1-CZ3 3.55Å; F370-W426 HydrophobicContact CD1-CZ2 4.23Å; F370-W426 AromaticContact CE1-CH2 3.76Å; F370-W426 HydrophobicContact CE1-CH2 3.76Å; F370-W426 AromaticContact CE1-CZ2 3.72Å; F370-W426 HydrophobicContact CE1-CZ2 3.72Å; F370-W426 AromaticContact CE2-CH2 3.86Å; F370-W426 HydrophobicContact CE2-CH2 3.86Å; F370-W426 HydrophobicContact CE2-CZ2 4.16Å; F370-W426 AromaticContact CZ-CH2 3.32Å; F370-W426 HydrophobicContact CZ-CH2 3.32Å; F370-W426 AromaticContact CZ-CZ2 3.71Å; F370-W426 HydrophobicContact CZ-CZ2 3.71Å; F370-W426 HydrophobicContact CZ-CZ3 4.42Å; F370-W426 WeakPolarHBondContact O-CZ2 3.16Å; F370-F432 HydrophobicContact CE2-CD1 4.35Å; F370-F432 AromaticContact CE2-CD2 3.72Å; F370-F432 HydrophobicContact CE2-CD2 3.72Å; F370-F432 HydrophobicContact CE2-CE1 4.45Å; F370-F432 AromaticContact CE2-CE2 3.84Å; F370-F432 HydrophobicContact CE2-CE2 3.84Å; F370-F432 AromaticContact CE2-CG 3.97Å; F370-F432 HydrophobicContact CE2-CG 3.97Å; F370-F432 HydrophobicContact CE2-CZ 4.19Å; F370-F432 AromaticContact CZ-CD1 3.94Å; F370-F432 HydrophobicContact CZ-CD1 3.94Å; F370-F432 HydrophobicContact CZ-CD2 4.1Å; F370-F432 AromaticContact CZ-CE1 3.86Å; F370-F432 HydrophobicContact CZ-CE1 3.86Å; F370-F432 HydrophobicContact CZ-CE2 4.03Å; F370-F432 HydrophobicContact CZ-CG 4.04Å; F370-F432 AromaticContact CZ-CZ 3.89Å; F370-F432 HydrophobicContact CZ-CZ 3.89Å
371	Q	93.2	Very high	94.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-59.2	-25.4	177.6	-57.9	-157.8	-52.2	0	0	112.3	Y174 L177 E368 D369 F393 W426	Y174-Q371 WeakPolarHBondContact CD2-O 3.44Å; L177-Q371 HydrophobicContact CD1-CB 4.23Å; E368-Q371 WeakPolarHBondContact O-CB 3.48Å; E368-Q371 PolarHBondContact O-N 3Å; E368-Q371 VanDerWaalsContact O-N 3.16Å; D369-Q371 PolarHBondContact O-N 2.63Å; Q371-F393 HydrophobicContact CG-CE2 4.26Å; Q371-F393 HydrophobicContact CG-CZ 4.38Å; Q371-W426 PolarHBondContact O-NE1 2.87Å
372	F	96.1	Very high	93.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-98.1	-0.4	-179	-57.9	-75.7	0	0	0	113.9	Y152 I154 F158 V159 G171 E172 L177 E368 D369 F370 K374	Y152-F372 AromaticContact CE1-CZ 4Å; Y152-F372 HydrophobicContact CE1-CZ 4Å; Y152-F372 WeakPolarHBondContact OH-CZ 2.95Å; I154-F372 HydrophobicContact CG2-CE1 3.96Å; I154-F372 HydrophobicContact CG2-CZ 4.39Å; F158-F372 HydrophobicContact CD1-CD2 4.09Å; F158-F372 AromaticContact CD1-CE2 3.72Å; F158-F372 HydrophobicContact CD1-CE2 3.72Å; F158-F372 HydrophobicContact CD1-CZ 4.46Å; F158-F372 AromaticContact CE1-CD2 3.95Å; F158-F372 HydrophobicContact CE1-CD2 3.95Å; F158-F372 AromaticContact CE1-CE2 3.75Å; F158-F372 HydrophobicContact CE1-CE2 3.75Å; V159-F372 HydrophobicContact CG2-CB 4.1Å; V159-F372 HydrophobicContact CG2-CD1 3.61Å; V159-F372 HydrophobicContact CG2-CD2 4.38Å; V159-F372 HydrophobicContact CG2-CE1 4.1Å; V159-F372 HydrophobicContact CG2-CG 3.76Å; G171-F372 CarbonylContact C-O 3.59Å; G171-F372 WeakPolarHBondContact CA-O 3.32Å; E172-F372 PolarHBondContact N-O 3.04Å; E172-F372 WeakPolarHBondContact O-CD1 3.39Å; L177-F372 HydrophobicContact CD1-CD1 4.08Å; L177-F372 HydrophobicContact CD1-CE1 3.67Å; L177-F372 HydrophobicContact CD1-CZ 4.15Å; E368-F372 HydrophobicContact CG-CE2 4.45Å; E368-F372 WeakPolarHBondContact O-CD2 3.46Å; D369-F372 PolarHBondContact O-N 3.09Å; F370-F372 PolarHBondContact O-N 2.84Å; F370-F372 VanDerWaalsContact O-N 3.08Å; F372-K374 PolarHBondContact O-N 3.41Å
373	Y	98.3	Very high	93.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	134.2	179.5	173.9	-88.9	0	0	0	111.9	W169 Y174 F370 G376 Y378 W426 E428 F432 R433	W169-Y373 HydrophobicContact CB-CD2 4.2Å; W169-Y373 HydrophobicContact CB-CE2 4.04Å; W169-Y373 HydrophobicContact CD2-CD2 4.28Å; W169-Y373 AromaticContact CE3-CD2 3.9Å; W169-Y373 HydrophobicContact CE3-CD2 3.9Å; W169-Y373 HydrophobicContact CG-CD2 4.45Å; Y174-Y373 WeakPolarHBondContact CE2-O 3.39Å; Y174-Y373 PolarHBondContact OH-O 3.13Å; F370-Y373 WeakPolarHBondContact O-CB 3.24Å; F370-Y373 PolarHBondContact O-N 3.03Å; Y373-G376 WeakPolarHBondContact CE2-O 3.18Å; Y373-G376 PolarHBondContact OH-N 2.81Å; Y373-G376 PolarHBondContact OH-O 3.41Å; Y373-Y378 HydrophobicContact CD2-CD2 4.12Å; Y373-Y378 HydrophobicContact CD2-CG 4.38Å; Y373-W426 AromaticContact CD1-CH2 3.82Å; Y373-W426 HydrophobicContact CD1-CH2 3.82Å; Y373-W426 HydrophobicContact CD1-CZ2 4.06Å; Y373-W426 HydrophobicContact CD1-CZ3 4.38Å; Y373-W426 HydrophobicContact CG-CH2 4.45Å; Y373-W426 HydrophobicContact CG-CZ2 4.41Å; Y373-E428 HydrophobicContact CE1-CG 4.23Å; Y373-E428 PolarHBondContact OH-OE1 3.36Å; Y373-F432 HydrophobicContact CD1-CB 3.7Å; Y373-F432 HydrophobicContact CE1-CB 3.25Å; Y373-F432 HydrophobicContact CE2-CB 4.45Å; Y373-F432 HydrophobicContact CG-CB 4.48Å; Y373-R433 PolarHBondContact OH-N 2.81Å; Y373-R433 VanDerWaalsContact OH-N 3.07Å
374	K	98.5	Very high	92.4	Very high	47 Å²	47	31.4 Å²	31.4	20%	0.204	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-50.3	173.8	-176.3	62.9	172.2	-153.1	0	113.2	R170 E172 Y174 F372 G427 E428	R170-K374 VanDerWaalsContact NH2-CG 3.33Å; R170-K374 VanDerWaalsContact O-CB 3.3Å; R170-K374 WeakPolarHBondContact O-CB 3.41Å; R170-K374 PolarHBondContact O-N 3.1Å; E172-K374 HydrophobicContact CB-CB 3.79Å; E172-K374 HydrophobicContact CB-CD 4.27Å; E172-K374 HydrophobicContact CB-CG 4.12Å; E172-K374 WeakPolarHBondContact OE1-CE 3.27Å; E172-K374 IonicContact OE1-NZ 2.7Å; E172-K374 PolarHBondContact OE1-NZ 3.03Å; E172-K374 WeakPolarHBondContact OE2-CD 3.22Å; E172-K374 VanDerWaalsContact OE2-CE 3.29Å; E172-K374 WeakPolarHBondContact OE2-CE 3.44Å; E172-K374 WeakPolarHBondContact OE2-CG 3.32Å; E172-K374 IonicContact OE2-NZ 3.24Å; Y174-K374 WeakPolarHBondContact OH-CD 3.27Å; F372-K374 PolarHBondContact O-N 3.41Å; K374-G427 CarbonylContact O-C 3.59Å; K374-G427 VanDerWaalsContact O-CA 3.27Å; K374-G427 WeakPolarHBondContact O-CA 3.45Å; K374-E428 PolarHBondContact O-N 3.37Å
375	E	98.3	Very high	91.4	Very high	85 Å²	85	32 Å²	32	40%	0.397	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	164.6	-174.7	65.3	-169.1	162.8	0	0	111.2	W169 R170 E428	W169-E375 CarbonylContact C-O 3.48Å; W169-E375 VanDerWaalsContact CA-O 3.23Å; W169-E375 WeakPolarHBondContact CA-O 3.2Å; W169-E375 VanDerWaalsContact CB-O 3.26Å; W169-E375 WeakPolarHBondContact CB-O 3.46Å; R170-E375 HydrophobicContact CB-CG 4.12Å; R170-E375 IonicContact CZ-OE1 3.85Å; R170-E375 PolarHBondContact N-O 3.32Å; R170-E375 IonicContact NE-OE1 3.2Å; R170-E375 PolarHBondContact NE-OE1 2.85Å; R170-E375 IonicContact NH2-OE1 3.61Å; R170-E375 PolarHBondContact NH2-OE1 2.78Å; E375-E428 HydrophobicContact CB-CG 4.04Å
376	G	98.4	Very high	90.4	Very high	11 Å²	11	34.9 Å²	34.9	11%	0.113	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.6	-167.8	-179.9	0	0	0	0	0	112.4	S168 Y373 E428	S168-G376 CarbonylContact O-C 3.52Å; S168-G376 WeakPolarHBondContact O-CA 3.07Å; Y373-G376 WeakPolarHBondContact CE2-O 3.18Å; Y373-G376 PolarHBondContact OH-N 2.81Å; Y373-G376 PolarHBondContact OH-O 3.41Å; G376-E428 PolarHBondContact N-OE1 2.78Å; G376-E428 VanDerWaalsContact N-OE1 3.11Å
377	I	98.5	Very high	88.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.9	-177.1	-46.5	-48.3	0	0	0	108.4	S168 W169 H379 D408 E413 Y415 R433 L435	S168-I377 CarbonylContact C-O 3.55Å; S168-I377 WeakPolarHBondContact CB-O 3.4Å; S168-I377 PolarHBondContact O-N 2.81Å; S168-I377 WeakPolarHBondContact OG-CB 3.32Å; S168-I377 PolarHBondContact OG-O 3.24Å; W169-I377 WeakPolarHBondContact CB-O 3.25Å; W169-I377 VanDerWaalsContact CD1-O 3.28Å; I377-H379 PolarHBondContact O-CD2 2.03Å; I377-H379 VanDerWaalsContact O-CD2 3.3Å; I377-D408 HydrophobicContact CD1-CB 4.12Å; I377-D408 HydrophobicContact CG1-CB 3.93Å; I377-E413 HydrophobicContact CG1-CB 4.4Å; I377-Y415 HydrophobicContact CD1-CD1 3.51Å; I377-Y415 HydrophobicContact CD1-CE1 4.31Å; I377-Y415 HydrophobicContact CD1-CG 3.69Å; I377-Y415 HydrophobicContact CG1-CD1 4.47Å; I377-R433 HydrophobicContact CD1-CB 3.62Å; I377-R433 HydrophobicContact CD1-CG 4.39Å; I377-L435 HydrophobicContact CG2-CB 4.38Å
378	Y	98.6	Very high	87	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	132.5	-178.3	178	-103.1	0	0	0	110.9	W169 D369 F370 Y373 R433 I434 L435	W169-Y378 HydrophobicContact CD2-CD2 4.03Å; W169-Y378 AromaticContact CE2-CD2 3.72Å; W169-Y378 HydrophobicContact CE3-CD2 4.49Å; W169-Y378 HydrophobicContact CG-CD2 4.41Å; W169-Y378 HydrophobicContact CH2-CD2 4.41Å; W169-Y378 HydrophobicContact CH2-CE2 4.23Å; W169-Y378 AromaticContact CZ2-CD2 3.94Å; W169-Y378 HydrophobicContact CZ2-CD2 3.94Å; W169-Y378 AromaticContact CZ2-CE2 3.77Å; W169-Y378 HydrophobicContact CZ2-CE2 3.77Å; W169-Y378 AromaticContact NE1-CD2 3.91Å; D369-Y378 PolarHBondContact OD1-OH 3.49Å; F370-Y378 HydrophobicContact CB-CE1 4.41Å; F370-Y378 HydrophobicContact CB-CE2 3.99Å; F370-Y378 AromaticContact CD2-CD1 3.9Å; F370-Y378 HydrophobicContact CD2-CD1 3.9Å; F370-Y378 HydrophobicContact CD2-CD2 4.01Å; F370-Y378 AromaticContact CD2-CE1 3.77Å; F370-Y378 HydrophobicContact CD2-CE1 3.77Å; F370-Y378 AromaticContact CD2-CE2 3.9Å; F370-Y378 HydrophobicContact CD2-CE2 3.9Å; F370-Y378 HydrophobicContact CD2-CG 4.02Å; F370-Y378 AromaticContact CD2-CZ 3.79Å; F370-Y378 HydrophobicContact CE2-CD1 4.37Å; F370-Y378 HydrophobicContact CE2-CG 4.48Å; F370-Y378 HydrophobicContact CG-CE1 4.48Å; F370-Y378 HydrophobicContact CG-CE2 4.46Å; Y373-Y378 HydrophobicContact CD2-CD2 4.12Å; Y373-Y378 HydrophobicContact CD2-CG 4.38Å; Y378-R433 WeakPolarHBondContact CB-O 3.34Å; Y378-R433 PolarHBondContact N-O 3.25Å; Y378-I434 HydrophobicContact CD1-CD1 3.98Å; Y378-I434 HydrophobicContact CD1-CG1 4.08Å; Y378-L435 PolarHBondContact O-N 3.02Å; Y378-L435 VanDerWaalsContact O-N 3.12Å
379	H	94.5	Very high	85.3	Confident	38 Å²	38	47.7 Å²	47.7	18%	0.176	24%	0.242	C	C	.	.			trans	-136.5	140.2	163.3	-56.5	-126	0	0	0	106.6	S168 W169 I377 T381 E413 L435 E440	S168-H379 PolarHBondContact OG-NE2 3.25Å; W169-H379 PolarHBondContact NE1-O 3.08Å; I377-H379 PolarHBondContact O-CD2 2.03Å; I377-H379 VanDerWaalsContact O-CD2 3.3Å; H379-T381 PolarHBondContact O-N 3.08Å; H379-E413 IonicContact CE1-OE1 3.77Å; H379-E413 IonicContact NE2-OE1 3.6Å; H379-E413 PolarHBondContact NE2-OE1 2.83Å; H379-L435 VanDerWaalsContact CE1-CB 3.41Å; H379-L435 WeakPolarHBondContact CE1-CB 3.43Å; H379-L435 VanDerWaalsContact CE1-CD1 3.47Å; H379-L435 WeakPolarHBondContact CE1-CD1 3.35Å; H379-L435 WeakPolarHBondContact CE1-CD2 3.43Å; H379-L435 VanDerWaalsContact CE1-CG 3.46Å; H379-L435 WeakPolarHBondContact CE1-CG 3.5Å; H379-L435 VanDerWaalsContact ND1-CD2 3.29Å; H379-L435 WeakPolarHBondContact ND1-CD2 3.46Å; H379-E440 WeakPolarHBondContact CA-OE1 3.19Å
380	H	93.8	Very high	83	Confident	67 Å²	67	53 Å²	53	31%	0.31	27%	0.265	S	S	.	.			trans	-62.9	136.1	174.5	175.4	50.5	0	0	0	110.5	Y367 D369 E440	Y367-H380 VanDerWaalsContact CB-ND1 3.31Å; Y367-H380 WeakPolarHBondContact CB-ND1 3.45Å; Y367-H380 AromaticContact CD1-CD2 3.66Å; Y367-H380 AromaticContact CD1-CE1 3.26Å; Y367-H380 WeakPolarHBondContact CD1-CE1 3.32Å; Y367-H380 AromaticContact CD1-CG 3.78Å; Y367-H380 AromaticContact CD1-ND1 3.54Å; Y367-H380 AromaticContact CD1-NE2 3.33Å; Y367-H380 VanDerWaalsContact CD1-NE2 3.33Å; Y367-H380 WeakPolarHBondContact CD1-NE2 3.4Å; Y367-H380 HydrophobicContact CD2-CB 3.88Å; Y367-H380 AromaticContact CD2-CG 3.61Å; Y367-H380 AromaticContact CD2-ND1 3.76Å; Y367-H380 AromaticContact CE1-CD2 3.56Å; Y367-H380 AromaticContact CE1-CE1 3.92Å; Y367-H380 AromaticContact CE1-NE2 3.49Å; Y367-H380 WeakPolarHBondContact CE1-NE2 2.97Å; Y367-H380 HydrophobicContact CE2-CB 4.06Å; Y367-H380 AromaticContact CE2-CG 3.88Å; Y367-H380 HydrophobicContact CG-CB 4.3Å; Y367-H380 AromaticContact CG-CD2 3.93Å; Y367-H380 AromaticContact CG-CE1 3.49Å; Y367-H380 VanDerWaalsContact CG-CE1 3.49Å; Y367-H380 AromaticContact CG-CG 3.55Å; Y367-H380 AromaticContact CG-ND1 3.26Å; Y367-H380 VanDerWaalsContact CG-ND1 3.26Å; Y367-H380 AromaticContact CG-NE2 3.9Å; Y367-H380 AromaticContact CZ-CD2 3.75Å; D369-H380 IonicContact OD1-ND1 3.44Å; D369-H380 PolarHBondContact OD1-ND1 3.28Å; D369-H380 IonicContact OD2-CE1 2.88Å; D369-H380 IonicContact OD2-ND1 3.65Å; D369-H380 PolarHBondContact OD2-ND1 2.86Å; H380-E440 PolarHBondContact N-OE1 3.32Å
381	T	91.2	Very high	80.9	Confident	7 Å²	7	56 Å²	56	4%	0.043	28%	0.281	C	S	.	.			trans	-103.6	142.7	179.9	69	0	0	0	0	111	I162 Q166 W169 D369 H379 V383	I162-T381 HydrophobicContact CG2-CG2 4.43Å; Q166-T381 HydrophobicContact CG-CG2 3.71Å; W169-T381 HydrophobicContact CZ2-CG2 3.92Å; D369-T381 WeakPolarHBondContact OD2-CB 3.47Å; D369-T381 PolarHBondContact OD2-N 3.34Å; D369-T381 PolarHBondContact OD2-OG1 3Å; H379-T381 PolarHBondContact O-N 3.08Å; T381-V383 PolarHBondContact O-N 3.22Å; T381-V383 VanDerWaalsContact O-N 3.15Å
382	T	86.7	Confident	79	Confident	114 Å²	114	56.2 Å²	56.2	70%	0.699	28%	0.282	S	S	*	.			trans	-78.3	9.8	172.6	61.9	0	0	0	0	113	Q384	T382-Q384 PolarHBondContact O-N 3.33Å
383	V	84.7	Confident	76.8	Confident	25 Å²	25	57.4 Å²	57.4	15%	0.152	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-66.3	128.5	179.1	177.4	0	0	0	0	107.9	F158 K161 I162 H165 T381	F158-V383 HydrophobicContact CD2-CG1 4.02Å; F158-V383 HydrophobicContact CE2-CB 4.37Å; F158-V383 HydrophobicContact CE2-CG1 3.91Å; F158-V383 WeakPolarHBondContact CE2-O 3.37Å; K161-V383 HydrophobicContact CB-CG1 3.59Å; K161-V383 HydrophobicContact CD-CG1 4.48Å; I162-V383 HydrophobicContact CG1-CB 4.19Å; I162-V383 HydrophobicContact CG1-CG1 4.17Å; H165-V383 HydrophobicContact CB-CG2 3.57Å; T381-V383 PolarHBondContact O-N 3.22Å; T381-V383 VanDerWaalsContact O-N 3.15Å
384	Q	75.6	Confident	74.8	Confident	163 Å²	163	58.9 Å²	58.9	76%	0.762	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-100.7	141	177.7	-62.6	179.9	23.4	0	0	110	T382	T382-Q384 PolarHBondContact O-N 3.33Å
385	T	71.4	Confident	73	Confident	13 Å²	13	58.7 Å²	58.7	8%	0.08	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-65.7	133.7	169.1	-173.2	0	0	0	0	110.1	N155 H387 N391	N155-T385 PolarHBondContact ND2-OG1 2.93Å; N155-T385 VanDerWaalsContact ND2-OG1 3.15Å; T385-H387 PolarHBondContact O-N 3.15Å; T385-H387 PolarHBondContact OG1-N 2.81Å; T385-N391 HydrophobicContact CG2-CB 4.4Å
386	D	68	Low	71.4	Confident	88 Å²	88	54.6 Å²	54.6	47%	0.471	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	2.2	175.1	45.6	-40.9	0	0	0	113.5	N155 S157 K161	N155-D386 PolarHBondContact ND2-OD1 3.38Å; S157-D386 PolarHBondContact OG-OD1 2.81Å; S157-D386 PolarHBondContact OG-OD2 3.23Å; S157-D386 VanDerWaalsContact OG-OD2 3.08Å; K161-D386 VanDerWaalsContact NZ-CB 3.32Å; K161-D386 IonicContact NZ-OD1 3.58Å; K161-D386 PolarHBondContact NZ-OD1 3.18Å; K161-D386 IonicContact NZ-OD2 2.97Å; K161-D386 PolarHBondContact NZ-OD2 3.45Å
387	H	55.4	Low	70.7	Confident	72 Å²	72	54.9 Å²	54.9	33%	0.333	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-25.1	-174.5	-97.8	39.9	0	0	0	115.2	H153 N155 T385	H153-H387 AromaticContact CE1-NE2 3.35Å; H153-H387 PolarHBondContact CE1-NE2 2.83Å; H153-H387 VanDerWaalsContact CE1-NE2 3.35Å; H153-H387 AromaticContact ND1-CD2 3.31Å; H153-H387 PolarHBondContact ND1-CD2 3.37Å; H153-H387 VanDerWaalsContact ND1-CD2 3.31Å; H153-H387 AromaticContact ND1-NE2 2.85Å; H153-H387 PolarHBondContact ND1-NE2 2.64Å; N155-H387 HydrophobicContact CB-CB 4.49Å; N155-H387 WeakPolarHBondContact CB-CE1 3.44Å; N155-H387 VanDerWaalsContact CB-ND1 3.25Å; N155-H387 WeakPolarHBondContact CB-ND1 3.38Å; N155-H387 PolarHBondContact ND2-ND1 3.29Å; N155-H387 PolarHBondContact OD1-CE1 3.18Å; N155-H387 PolarHBondContact OD1-ND1 3.22Å; T385-H387 PolarHBondContact O-N 3.15Å; T385-H387 PolarHBondContact OG1-N 2.81Å
388	Y	52	Low	70.4	Confident	81 Å²	81	55 Å²	55	32%	0.318	28%	0.276	S	S	.	.			trans	-134.9	141.9	-174.9	-58.2	-81.1	0	0	0	111.3	F390 P392	Y388-F390 WeakPolarHBondContact CB-O 3.35Å; Y388-F390 VanDerWaalsContact CG-O 3.29Å; Y388-F390 PolarHBondContact O-N 3.18Å; Y388-P392 HydrophobicContact CE2-CG 4.17Å
389	N	51.2	Low	70.3	Confident	188 Å²	188	55.2 Å²	55.2	100%	1.005	28%	0.277	S	S	*	.	S	Bend	trans	-61.4	-5.2	155.9	-69.2	-18.3	0	0	0	111.8
390	F	44	Very low	70.5	Confident	115 Å²	115	53.5 Å²	53.5	50%	0.504	27%	0.269	S	S	.	.	S	Bend	trans	-153.9	105.1	-177.5	174.9	-99.1	0	0	0	110.9	Y388 P392	Y388-F390 WeakPolarHBondContact CB-O 3.35Å; Y388-F390 VanDerWaalsContact CG-O 3.29Å; Y388-F390 PolarHBondContact O-N 3.18Å; F390-P392 HydrophobicContact CD1-CB 4.47Å; F390-P392 HydrophobicContact CE1-CB 4.1Å; F390-P392 VanDerWaalsContact O-CD 3.3Å; F390-P392 WeakPolarHBondContact O-CD 3.46Å
391	N	50.7	Low	70.7	Confident	62 Å²	62	50.4 Å²	50.4	33%	0.332	26%	0.255	S	S	.	.			trans	-68.7	117.5	172.5	-174.3	-4	0	0	0	109.9	E368 T385 F393	E368-N391 PolarHBondContact OE2-ND2 2.98Å; E368-N391 PolarHBondContact OE2-OD1 3.31Å; T385-N391 HydrophobicContact CG2-CB 4.4Å; N391-F393 VanDerWaalsContact C-N 3.3Å; N391-F393 VanDerWaalsContact OD1-CB 3.3Å; N391-F393 WeakPolarHBondContact OD1-CB 3.35Å; N391-F393 PolarHBondContact OD1-N 3.4Å
392	P	52.4	Low	71.1	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.026	25%	0.253	C	S	.	.			trans	-81.7	-7.9	178	35.7	-35.7	0	0	0	112.5	I182 R186 Y388 F390 E394	I182-P392 HydrophobicContact CD1-CB 3.99Å; I182-P392 HydrophobicContact CD1-CG 3.52Å; I182-P392 HydrophobicContact CG1-CG 4.32Å; I182-P392 HydrophobicContact CG2-CB 4.32Å; R186-P392 PolarHBondContact NE-O 3.42Å; R186-P392 PolarHBondContact NH2-O 3.07Å; Y388-P392 HydrophobicContact CE2-CG 4.17Å; F390-P392 HydrophobicContact CD1-CB 4.47Å; F390-P392 HydrophobicContact CE1-CB 4.1Å; F390-P392 VanDerWaalsContact O-CD 3.3Å; F390-P392 WeakPolarHBondContact O-CD 3.46Å; P392-E394 PolarHBondContact O-N 2.95Å
393	F	50.4	Low	71.6	Confident	25 Å²	25	44.7 Å²	44.7	11%	0.11	22%	0.22	C	C	.	.			trans	-68	126.6	175.7	-164.7	-88.2	0	0	0	109.7	V366 Y367 E368 Q371 N391	V366-F393 HydrophobicContact CG1-CZ 4.1Å; V366-F393 WeakPolarHBondContact O-CE1 3.21Å; Y367-F393 VanDerWaalsContact C-CE1 3.44Å; E368-F393 HydrophobicContact CB-CB 4.05Å; E368-F393 HydrophobicContact CB-CD1 3.75Å; E368-F393 HydrophobicContact CB-CD2 4.45Å; E368-F393 HydrophobicContact CB-CE1 4.35Å; E368-F393 HydrophobicContact CB-CG 3.81Å; E368-F393 HydrophobicContact CG-CB 4.17Å; E368-F393 HydrophobicContact CG-CD2 4.42Å; E368-F393 HydrophobicContact CG-CG 4.11Å; Q371-F393 HydrophobicContact CG-CE2 4.26Å; Q371-F393 HydrophobicContact CG-CZ 4.38Å; N391-F393 VanDerWaalsContact C-N 3.3Å; N391-F393 VanDerWaalsContact OD1-CB 3.3Å; N391-F393 WeakPolarHBondContact OD1-CB 3.35Å; N391-F393 PolarHBondContact OD1-N 3.4Å
394	E	56.4	Low	72.3	Confident	32 Å²	32	43.5 Å²	43.5	15%	0.15	21%	0.213	C	C	.	.			trans	-114.5	143.7	-177.6	-69.2	179.4	-141.4	0	0	109.2	R186 M195 P392 T396	R186-E394 IonicContact CZ-OE1 3.49Å; R186-E394 IonicContact NH2-OE1 2.84Å; R186-E394 PolarHBondContact NH2-OE1 2.88Å; M195-E394 HydrophobicContact CE-CB 4.17Å; M195-E394 HydrophobicContact CE-CG 4.45Å; M195-E394 WeakPolarHBondContact CE-OE2 3.31Å; P392-E394 PolarHBondContact O-N 2.95Å; E394-T396 PolarHBondContact O-N 3.2Å
395	L	60.3	Low	73.4	Confident	42 Å²	42	35.9 Å²	35.9	22%	0.22	18%	0.177	C	C	.	.			trans	-59.1	127.5	178.8	-166.7	64.9	0	0	0	109.8	T197 E365 Y367	T197-L395 HydrophobicContact CG2-CD2 4.34Å; E365-L395 HydrophobicContact CB-CD1 3.68Å; E365-L395 HydrophobicContact CB-CD2 4.28Å; E365-L395 HydrophobicContact CB-CG 4.04Å; E365-L395 HydrophobicContact CG-CD1 4.48Å; E365-L395 HydrophobicContact CG-CD2 4.21Å; E365-L395 HydrophobicContact CG-CG 4.34Å; Y367-L395 HydrophobicContact CD1-CD1 3.65Å; Y367-L395 HydrophobicContact CD2-CD1 3.91Å; Y367-L395 HydrophobicContact CE1-CD1 3.47Å; Y367-L395 VanDerWaalsContact CE1-CD1 3.47Å; Y367-L395 HydrophobicContact CE2-CD1 3.73Å; Y367-L395 HydrophobicContact CG-CD1 3.88Å
396	T	65.8	Low	74.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.1	178.2	45.5	0	0	0	0	109.7	A189 E365 V366 E394	A189-T396 WeakPolarHBondContact CB-OG1 3.22Å; A189-T396 PolarHBondContact O-OG1 3.08Å; E365-T396 CarbonylContact C-O 3.49Å; E365-T396 WeakPolarHBondContact CA-O 3.49Å; V366-T396 PolarHBondContact N-O 3.44Å; E394-T396 PolarHBondContact O-N 3.2Å
397	N	82.6	Confident	76.1	Confident	17 Å²	17	32.4 Å²	32.4	9%	0.091	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124.3	169	-66.3	-64.5	0	0	0	109.6	Y80 A189 G190 S194	Y80-N397 PolarHBondContact OH-ND2 2.95Å; Y80-N397 VanDerWaalsContact OH-ND2 3.14Å; A189-N397 CarbonylContact O-C 3.48Å; G190-N397 WeakPolarHBondContact CA-O 3.18Å; S194-N397 PolarHBondContact O-N 3.04Å; S194-N397 PolarHBondContact O-ND2 3.17Å
398	H	93.4	Very high	78.1	Confident	3 Å²	3	30.5 Å²	30.5	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.3	177.8	-170.3	36.5	0	0	0	110.4	A189 Q241 C247 G363 F364 V366 N420 W422	A189-H398 WeakPolarHBondContact O-CA 3.41Å; A189-H398 VanDerWaalsContact O-CB 3.23Å; A189-H398 WeakPolarHBondContact O-CB 3.45Å; Q241-H398 PolarHBondContact OE1-CE1 2.93Å; C247-H398 WeakPolarHBondContact CB-CE1 3.12Å; C247-H398 WeakPolarHBondContact CB-ND1 3.17Å; G363-H398 CarbonylContact C-O 3.56Å; G363-H398 VanDerWaalsContact CA-O 3.27Å; G363-H398 WeakPolarHBondContact CA-O 3.39Å; F364-H398 HydrophobicContact CD1-CB 4.21Å; F364-H398 HydrophobicContact CE1-CB 3.78Å; F364-H398 AromaticContact CE1-CD2 3.55Å; F364-H398 HydrophobicContact CZ-CB 4.35Å; F364-H398 AromaticContact CZ-CD2 3.98Å; F364-H398 PolarHBondContact N-O 3.45Å; F364-H398 PolarHBondContact O-N 2.83Å; V366-H398 HydrophobicContact CG2-CB 3.37Å; H398-N420 PolarHBondContact NE2-OD1 2.9Å; H398-W422 AromaticContact CE1-NE1 3.8Å; H398-W422 AromaticContact NE2-CE2 3.87Å; H398-W422 AromaticContact NE2-CZ2 3.97Å; H398-W422 AromaticContact NE2-NE1 3.69Å
399	A	95.5	Very high	80.2	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.033	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.3	175.4	0	0	0	0	0	111.5	C247 P251 P292 V362	C247-A399 HydrophobicContact CB-CB 4.35Å; C247-A399 WeakPolarHBondContact O-CB 3.2Å; P251-A399 HydrophobicContact CG-CB 4.04Å; P292-A399 HydrophobicContact CG-CB 3.53Å; V362-A399 WeakPolarHBondContact O-CA 3.42Å
400	V	98.2	Very high	82.2	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	167.5	-173.5	-70.5	0	0	0	0	110.4	P251 P361 V362 F364 V418 F432	P251-V400 VanDerWaalsContact CB-C 3.48Å; P361-V400 CarbonylContact C-O 3.09Å; P361-V400 WeakPolarHBondContact CA-O 3.47Å; V362-V400 HydrophobicContact CG2-CG2 3.66Å; V362-V400 PolarHBondContact N-O 2.84Å; V362-V400 PolarHBondContact O-N 3.36Å; F364-V400 HydrophobicContact CD1-CG1 4.39Å; F364-V400 HydrophobicContact CD1-CG2 3.73Å; F364-V400 HydrophobicContact CE1-CB 4.45Å; F364-V400 HydrophobicContact CE1-CG1 3.72Å; F364-V400 HydrophobicContact CE1-CG2 3.85Å; V400-V418 HydrophobicContact CB-CG1 3.51Å; V400-V418 HydrophobicContact CG1-CG1 4.4Å; V400-V418 HydrophobicContact CG2-CG1 3.33Å; V400-F432 HydrophobicContact CB-CE1 4.49Å; V400-F432 HydrophobicContact CG1-CE1 4.18Å; V400-F432 HydrophobicContact CG1-CZ 4.49Å; V400-F432 HydrophobicContact CG2-CZ 4.23Å
401	L	98.8	Very high	84.6	Confident	3 Å²	3	30.5 Å²	30.5	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.5	-177.3	179.6	81.9	0	0	0	110.6	P251 A254 A255 P359 V403 V418 K419	P251-L401 HydrophobicContact CB-CB 3.89Å; A254-L401 HydrophobicContact CB-CD2 3.83Å; A255-L401 HydrophobicContact CB-CD1 3.54Å; P359-L401 HydrophobicContact CB-CD1 3.9Å; P359-L401 HydrophobicContact CB-CD2 3.99Å; P359-L401 HydrophobicContact CB-CG 4Å; L401-V403 HydrophobicContact CD2-CG1 3.64Å; L401-V403 HydrophobicContact CG-CG1 3.92Å; L401-V418 CarbonylContact O-C 3.52Å; L401-V418 WeakPolarHBondContact O-CA 3.46Å; L401-V418 WeakPolarHBondContact O-CG1 3.32Å; L401-K419 HydrophobicContact CB-CB 4.12Å; L401-K419 HydrophobicContact CD2-CB 4.38Å; L401-K419 HydrophobicContact CD2-CD 3.94Å; L401-K419 PolarHBondContact N-O 2.88Å; L401-K419 VanDerWaalsContact N-O 3.08Å; L401-K419 PolarHBondContact O-N 3.13Å
402	L	98.9	Very high	86.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	123.7	173.4	-167.1	155.6	0	0	0	109.5	M350 L354 P359 F360 V362 W416	M350-L402 HydrophobicContact CE-CD1 3.25Å; L354-L402 HydrophobicContact CB-CD2 4.44Å; L354-L402 HydrophobicContact CD1-CD2 3.69Å; L354-L402 HydrophobicContact CD2-CD2 3.59Å; L354-L402 HydrophobicContact CG-CD2 4.1Å; P359-L402 VanDerWaalsContact CA-O 3.31Å; P359-L402 WeakPolarHBondContact CA-O 3.23Å; P359-L402 WeakPolarHBondContact CB-O 3.2Å; F360-L402 HydrophobicContact CE1-CD2 4.35Å; F360-L402 HydrophobicContact CE2-CB 4.21Å; F360-L402 HydrophobicContact CE2-CD1 4.16Å; F360-L402 HydrophobicContact CZ-CB 4.46Å; F360-L402 HydrophobicContact CZ-CD1 4.11Å; F360-L402 HydrophobicContact CZ-CD2 4.09Å; F360-L402 HydrophobicContact CZ-CG 4.48Å; F360-L402 PolarHBondContact N-O 3.08Å; F360-L402 PolarHBondContact O-N 3.3Å; V362-L402 HydrophobicContact CG1-CB 4.06Å; V362-L402 HydrophobicContact CG1-CD1 4.02Å; V362-L402 HydrophobicContact CG2-CB 4.32Å; L402-W416 HydrophobicContact CD1-CB 4.42Å; L402-W416 HydrophobicContact CD1-CD2 3.77Å; L402-W416 HydrophobicContact CD1-CE3 3.63Å; L402-W416 HydrophobicContact CD1-CG 4.13Å; L402-W416 HydrophobicContact CD1-CZ3 4.16Å; L402-W416 HydrophobicContact CD2-CE3 3.82Å; L402-W416 HydrophobicContact CD2-CZ3 4.06Å; L402-W416 HydrophobicContact CG-CE3 4.04Å
403	V	98.8	Very high	88.9	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	-16.7	-172.9	-63.9	0	0	0	0	113.8	W224 T225 V235 P359 L401 K417 K419 Y431	W224-V403 WeakPolarHBondContact CB-O 3.49Å; W224-V403 PolarHBondContact N-O 2.83Å; T225-V403 HydrophobicContact CG2-CB 4.25Å; T225-V403 HydrophobicContact CG2-CG2 3.95Å; V235-V403 HydrophobicContact CG1-CG1 4.14Å; V235-V403 HydrophobicContact CG2-CB 4.36Å; V235-V403 HydrophobicContact CG2-CG1 4.07Å; P359-V403 HydrophobicContact CB-CG1 4.25Å; P359-V403 HydrophobicContact CG-CG1 4.42Å; L401-V403 HydrophobicContact CD2-CG1 3.64Å; L401-V403 HydrophobicContact CG-CG1 3.92Å; V403-K417 HydrophobicContact CG2-CB 4.22Å; V403-K417 HydrophobicContact CG2-CD 4.11Å; V403-K417 HydrophobicContact CG2-CG 3.86Å; V403-K417 WeakPolarHBondContact CG2-O 3.14Å; V403-K417 PolarHBondContact N-O 3.21Å; V403-K419 HydrophobicContact CG1-CB 3.99Å; V403-Y431 HydrophobicContact CG2-CD1 4.17Å; V403-Y431 HydrophobicContact CG2-CE1 4.04Å
404	G	98.8	Very high	91.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	175.6	-175.3	0	0	0	0	0	112.9	F222 K417	F222-G404 CarbonylContact O-C 3.6Å; F222-G404 WeakPolarHBondContact O-CA 3.43Å; G404-K417 PolarHBondContact N-O 2.95Å; G404-K417 PolarHBondContact O-N 3.37Å
405	Y	98.7	Very high	93.2	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	158	167.7	65.6	-95.8	0	0	0	110.3	P219 L220 E221 F222 Q351 L354 I355 Y415 W416	P219-Y405 VanDerWaalsContact O-CE2 3.23Å; P219-Y405 WeakPolarHBondContact O-CE2 3.3Å; P219-Y405 PolarHBondContact O-OH 2.93Å; L220-Y405 WeakPolarHBondContact O-CD2 3.03Å; L220-Y405 VanDerWaalsContact O-CE2 3.32Å; L220-Y405 WeakPolarHBondContact O-CE2 3.11Å; E221-Y405 CarbonylContact C-O 3.42Å; E221-Y405 WeakPolarHBondContact CA-O 3.15Å; F222-Y405 HydrophobicContact CB-CD1 4.21Å; F222-Y405 HydrophobicContact CB-CE1 3.67Å; F222-Y405 HydrophobicContact CB-CE2 4.46Å; F222-Y405 PolarHBondContact N-O 3.19Å; F222-Y405 PolarHBondContact O-N 2.79Å; Q351-Y405 HydrophobicContact CB-CE1 4.17Å; Q351-Y405 HydrophobicContact CG-CD1 4.27Å; Q351-Y405 HydrophobicContact CG-CE1 4.03Å; L354-Y405 HydrophobicContact CD2-CD1 3.81Å; L354-Y405 HydrophobicContact CD2-CE1 4.28Å; I355-Y405 HydrophobicContact CD1-CE1 4.07Å; I355-Y405 VanDerWaalsContact CD1-OH 3.24Å; I355-Y405 WeakPolarHBondContact CD1-OH 3.45Å; I355-Y405 HydrophobicContact CG1-CE1 4.38Å; Y405-Y415 CarbonylContact C-O 3.56Å; Y405-Y415 WeakPolarHBondContact CA-O 3.41Å; Y405-Y415 VanDerWaalsContact CB-O 3.26Å; Y405-Y415 WeakPolarHBondContact CB-O 3.33Å; Y405-W416 HydrophobicContact CD1-CE3 4.45Å; Y405-W416 AromaticContact CD1-CZ3 3.82Å; Y405-W416 HydrophobicContact CD1-CZ3 3.82Å; Y405-W416 HydrophobicContact CG-CE3 4.38Å; Y405-W416 HydrophobicContact CG-CZ3 4.04Å
406	G	98.3	Very high	95.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	-162.2	175.4	0	0	0	0	0	113	P414 Y415 R436	G406-P414 WeakPolarHBondContact O-CA 3.42Å; G406-Y415 PolarHBondContact N-O 2.91Å; G406-Y415 PolarHBondContact O-N 2.9Å; G406-R436 PolarHBondContact O-NH2 2.98Å; G406-R436 VanDerWaalsContact O-NH2 3.16Å
407	V	98.1	Very high	96.6	Very high	28 Å²	28	33 Å²	33	17%	0.17	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.2	171.7	179.9	0	0	0	0	108.2	L220 E221 K409 G412 E413	L220-V407 HydrophobicContact CD1-CG2 3.75Å; L220-V407 HydrophobicContact CD2-CG2 4.3Å; L220-V407 HydrophobicContact CG-CG2 3.93Å; E221-V407 PolarHBondContact OE1-N 3.32Å; V407-K409 PolarHBondContact O-N 3.45Å; V407-G412 WeakPolarHBondContact CG1-O 3.47Å; V407-E413 WeakPolarHBondContact CA-O 3.33Å
408	D	97.4	Very high	97.4	Very high	31 Å²	31	32.1 Å²	32.1	17%	0.166	18%	0.177	C	C	.	.			trans	-62.4	126.3	176.1	-171.4	80.1	0	0	0	109.7	I377 L410 S411 G412 E413 Y415 R433	I377-D408 HydrophobicContact CD1-CB 4.12Å; I377-D408 HydrophobicContact CG1-CB 3.93Å; D408-L410 PolarHBondContact O-N 2.83Å; D408-L410 WeakPolarHBondContact OD2-CA 3.41Å; D408-L410 WeakPolarHBondContact OD2-CB 3.24Å; D408-L410 PolarHBondContact OD2-N 2.87Å; D408-S411 PolarHBondContact OD2-N 3.02Å; D408-G412 WeakPolarHBondContact O-CA 3.1Å; D408-G412 PolarHBondContact O-N 3.38Å; D408-E413 PolarHBondContact N-O 3.01Å; D408-Y415 HydrophobicContact CB-CD1 4.48Å; D408-R433 IonicContact OD1-NH1 2.99Å; D408-R433 PolarHBondContact OD1-NH1 3.33Å
409	K	95.5	Very high	97.7	Very high	157 Å²	157	32.4 Å²	32.4	68%	0.683	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.2	-173.8	-57.5	-53.5	-172.3	-158.3	0	112.8	E221 V407	E221-K409 IonicContact OE1-NZ 2.67Å; E221-K409 PolarHBondContact OE1-NZ 2.81Å; E221-K409 IonicContact OE2-NZ 2.79Å; E221-K409 PolarHBondContact OE2-NZ 3.18Å; V407-K409 PolarHBondContact O-N 3.45Å
410	L	93.5	Very high	97.8	Very high	167 Å²	167	32.4 Å²	32.4	87%	0.874	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-48.7	-177.5	-178.3	62.8	0	0	0	111.1	D408	D408-L410 PolarHBondContact O-N 2.83Å; D408-L410 WeakPolarHBondContact OD2-CA 3.41Å; D408-L410 WeakPolarHBondContact OD2-CB 3.24Å; D408-L410 PolarHBondContact OD2-N 2.87Å
411	S	94.7	Very high	97.8	Very high	61 Å²	61	32.6 Å²	32.6	43%	0.427	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-21	-178.6	70	0	0	0	0	114	D408 E413	D408-S411 PolarHBondContact OD2-N 3.02Å; S411-E413 WeakPolarHBondContact CB-OE2 3.39Å; S411-E413 WeakPolarHBondContact OG-CB 3.4Å; S411-E413 VanDerWaalsContact OG-CG 3.29Å; S411-E413 WeakPolarHBondContact OG-CG 3.49Å; S411-E413 PolarHBondContact OG-N 3.36Å; S411-E413 PolarHBondContact OG-OE2 3.06Å
412	G	96.4	Very high	97.7	Very high	48 Å²	48	32.8 Å²	32.8	50%	0.495	18%	0.179	S	C	.	.			trans	76.4	7.2	-171	0	0	0	0	0	113.6	V407 D408	V407-G412 WeakPolarHBondContact CG1-O 3.47Å; D408-G412 WeakPolarHBondContact O-CA 3.1Å; D408-G412 PolarHBondContact O-N 3.38Å
413	E	97.3	Very high	97.7	Very high	50 Å²	50	33.3 Å²	33.3	23%	0.234	19%	0.185	C	C	.	.			trans	-76.9	127.8	-176.4	-69.9	174.3	124.1	0	0	111.5	S168 I377 H379 V407 D408 S411	S168-E413 PolarHBondContact OG-OE2 3.2Å; I377-E413 HydrophobicContact CG1-CB 4.4Å; H379-E413 IonicContact CE1-OE1 3.77Å; H379-E413 IonicContact NE2-OE1 3.6Å; H379-E413 PolarHBondContact NE2-OE1 2.83Å; V407-E413 WeakPolarHBondContact CA-O 3.33Å; D408-E413 PolarHBondContact N-O 3.01Å; S411-E413 WeakPolarHBondContact CB-OE2 3.39Å; S411-E413 WeakPolarHBondContact OG-CB 3.4Å; S411-E413 VanDerWaalsContact OG-CG 3.29Å; S411-E413 WeakPolarHBondContact OG-CG 3.49Å; S411-E413 PolarHBondContact OG-N 3.36Å; S411-E413 PolarHBondContact OG-OE2 3.06Å
414	P	98.1	Very high	97.6	Very high	41 Å²	41	37 Å²	37	27%	0.266	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	139.6	172.9	30.2	-33.9	0	0	0	110.3	G406 L435 R436	G406-P414 WeakPolarHBondContact O-CA 3.42Å; P414-L435 HydrophobicContact CG-CD1 4.47Å; P414-R436 HydrophobicContact CB-CB 4.26Å; P414-R436 VanDerWaalsContact CB-NH2 3.28Å; P414-R436 WeakPolarHBondContact CG-O 3.38Å; P414-R436 PolarHBondContact O-N 2.78Å
415	Y	98.7	Very high	97.5	Very high	38 Å²	38	44 Å²	44	15%	0.149	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	157.3	179.9	66.1	-97.6	0	0	0	113.1	I377 Y405 G406 D408 K417 R433 I434 R436	I377-Y415 HydrophobicContact CD1-CD1 3.51Å; I377-Y415 HydrophobicContact CD1-CE1 4.31Å; I377-Y415 HydrophobicContact CD1-CG 3.69Å; I377-Y415 HydrophobicContact CG1-CD1 4.47Å; Y405-Y415 CarbonylContact C-O 3.56Å; Y405-Y415 WeakPolarHBondContact CA-O 3.41Å; Y405-Y415 VanDerWaalsContact CB-O 3.26Å; Y405-Y415 WeakPolarHBondContact CB-O 3.33Å; G406-Y415 PolarHBondContact N-O 2.91Å; G406-Y415 PolarHBondContact O-N 2.9Å; D408-Y415 HydrophobicContact CB-CD1 4.48Å; Y415-K417 HydrophobicContact CE2-CB 4.28Å; Y415-R433 HydrophobicContact CD2-CB 3.85Å; Y415-R433 HydrophobicContact CD2-CG 3.63Å; Y415-R433 HydrophobicContact CE2-CG 3.84Å; Y415-R433 HydrophobicContact CG-CB 4.05Å; Y415-R433 HydrophobicContact CG-CG 4.23Å; Y415-I434 CarbonylContact C-O 3.58Å; Y415-I434 WeakPolarHBondContact CA-O 3.08Å; Y415-I434 WeakPolarHBondContact CB-O 3Å; Y415-R436 PolarHBondContact O-NE 3.28Å
416	W	98.8	Very high	97.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.4	158.5	-64.5	113	0	0	0	109.3	E347 M350 Q351 L402 Y405 V418 R433 I434 R436 E444	E347-W416 HydrophobicContact CB-CZ2 4.39Å; E347-W416 HydrophobicContact CG-CH2 4.43Å; E347-W416 HydrophobicContact CG-CZ2 3.8Å; M350-W416 HydrophobicContact CB-CH2 3.77Å; M350-W416 HydrophobicContact CB-CZ2 4.09Å; M350-W416 HydrophobicContact CE-CD2 4.48Å; M350-W416 HydrophobicContact CE-CH2 4.44Å; M350-W416 HydrophobicContact CE-CZ2 4Å; M350-W416 HydrophobicContact SD-CZ2 4.44Å; Q351-W416 HydrophobicContact CG-CH2 3.59Å; Q351-W416 HydrophobicContact CG-CZ3 4.17Å; L402-W416 HydrophobicContact CD1-CB 4.42Å; L402-W416 HydrophobicContact CD1-CD2 3.77Å; L402-W416 HydrophobicContact CD1-CE3 3.63Å; L402-W416 HydrophobicContact CD1-CG 4.13Å; L402-W416 HydrophobicContact CD1-CZ3 4.16Å; L402-W416 HydrophobicContact CD2-CE3 3.82Å; L402-W416 HydrophobicContact CD2-CZ3 4.06Å; L402-W416 HydrophobicContact CG-CE3 4.04Å; Y405-W416 HydrophobicContact CD1-CE3 4.45Å; Y405-W416 AromaticContact CD1-CZ3 3.82Å; Y405-W416 HydrophobicContact CD1-CZ3 3.82Å; Y405-W416 HydrophobicContact CG-CE3 4.38Å; Y405-W416 HydrophobicContact CG-CZ3 4.04Å; W416-V418 HydrophobicContact CB-CG2 4.09Å; W416-R433 VanDerWaalsContact O-CA 3.24Å; W416-R433 WeakPolarHBondContact O-CA 3.12Å; W416-I434 HydrophobicContact CB-CG2 3.92Å; W416-I434 PolarHBondContact N-O 2.53Å; W416-I434 PolarHBondContact O-N 3.29Å; W416-R436 HydrophobicContact CD2-CB 4.25Å; W416-R436 HydrophobicContact CD2-CG 4.08Å; W416-R436 VanDerWaalsContact CE2-CG 3.44Å; W416-R436 HydrophobicContact CG-CB 4.06Å; W416-R436 HydrophobicContact CG-CG 4.39Å; W416-R436 HydrophobicContact CZ2-CG 3.71Å; W416-E444 PolarHBondContact NE1-OE1 3.35Å
417	K	98.8	Very high	97.5	Very high	39 Å²	39	44.1 Å²	44.1	17%	0.17	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126	168.3	-173.6	-178.5	-172.6	174.1	0	108.8	D223 T225 V403 G404 Y415 Y431	D223-K417 IonicContact OD1-NZ 3.23Å; D223-K417 WeakPolarHBondContact OD2-CD 3.48Å; D223-K417 WeakPolarHBondContact OD2-CE 3.29Å; D223-K417 IonicContact OD2-NZ 3.05Å; D223-K417 PolarHBondContact OD2-NZ 3.06Å; T225-K417 PolarHBondContact OG1-NZ 3.25Å; V403-K417 HydrophobicContact CG2-CB 4.22Å; V403-K417 HydrophobicContact CG2-CD 4.11Å; V403-K417 HydrophobicContact CG2-CG 3.86Å; V403-K417 WeakPolarHBondContact CG2-O 3.14Å; V403-K417 PolarHBondContact N-O 3.21Å; G404-K417 PolarHBondContact N-O 2.95Å; G404-K417 PolarHBondContact O-N 3.37Å; Y415-K417 HydrophobicContact CE2-CB 4.28Å; K417-Y431 HydrophobicContact CG-CD1 4.49Å
418	V	98.9	Very high	97.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.8	-169.3	-173.9	0	0	0	0	110.2	V400 L401 W416 Y431 F432 I434	V400-V418 HydrophobicContact CB-CG1 3.51Å; V400-V418 HydrophobicContact CG1-CG1 4.4Å; V400-V418 HydrophobicContact CG2-CG1 3.33Å; L401-V418 CarbonylContact O-C 3.52Å; L401-V418 WeakPolarHBondContact O-CA 3.46Å; L401-V418 WeakPolarHBondContact O-CG1 3.32Å; W416-V418 HydrophobicContact CB-CG2 4.09Å; V418-Y431 CarbonylContact O-C 3.01Å; V418-Y431 VanDerWaalsContact O-CA 3.23Å; V418-Y431 WeakPolarHBondContact O-CA 2.97Å; V418-Y431 WeakPolarHBondContact O-CB 3.01Å; V418-F432 HydrophobicContact CB-CD1 3.95Å; V418-F432 HydrophobicContact CB-CD2 4.33Å; V418-F432 HydrophobicContact CB-CE1 3.52Å; V418-F432 HydrophobicContact CB-CE2 3.95Å; V418-F432 HydrophobicContact CB-CG 4.35Å; V418-F432 HydrophobicContact CB-CZ 3.54Å; V418-F432 HydrophobicContact CG1-CD1 4.2Å; V418-F432 HydrophobicContact CG1-CE1 3.34Å; V418-F432 HydrophobicContact CG1-CE2 4.28Å; V418-F432 HydrophobicContact CG1-CZ 3.4Å; V418-F432 VanDerWaalsContact CG1-CZ 3.4Å; V418-F432 HydrophobicContact CG2-CE2 4.15Å; V418-F432 HydrophobicContact CG2-CZ 4.07Å; V418-F432 PolarHBondContact N-O 3.42Å; V418-F432 PolarHBondContact O-N 2.97Å; V418-I434 HydrophobicContact CG2-CG2 4.03Å
419	K	98.8	Very high	97.6	Very high	9 Å²	9	51 Å²	51	4%	0.039	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120	174.8	177.1	178.8	177.3	-177.4	0	109.5	V235 T236 P237 I238 L401 V403 Y431	V235-K419 HydrophobicContact CG1-CD 3.89Å; T236-K419 VanDerWaalsContact C-NZ 3.33Å; T236-K419 PolarHBondContact O-NZ 2.61Å; T236-K419 PolarHBondContact OG1-NZ 2.91Å; P237-K419 WeakPolarHBondContact O-CE 2.99Å; P237-K419 PolarHBondContact O-NZ 3Å; I238-K419 HydrophobicContact CD1-CD 4.2Å; I238-K419 HydrophobicContact CD1-CG 3.62Å; L401-K419 HydrophobicContact CB-CB 4.12Å; L401-K419 HydrophobicContact CD2-CB 4.38Å; L401-K419 HydrophobicContact CD2-CD 3.94Å; L401-K419 PolarHBondContact N-O 2.88Å; L401-K419 VanDerWaalsContact N-O 3.08Å; L401-K419 PolarHBondContact O-N 3.13Å; V403-K419 HydrophobicContact CG1-CB 3.99Å; K419-Y431 HydrophobicContact CB-CD1 3.82Å; K419-Y431 HydrophobicContact CB-CE1 3.55Å; K419-Y431 HydrophobicContact CD-CE1 4.32Å; K419-Y431 HydrophobicContact CG-CD1 4.41Å; K419-Y431 HydrophobicContact CG-CE1 3.91Å
420	N	98.3	Very high	97.7	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	24%	0.239	C	C	.	.			trans	-93	177.3	175.6	-158.4	-3.7	0	0	0	111.1	H398 W422 W426 G430 F432	H398-N420 PolarHBondContact NE2-OD1 2.9Å; N420-W422 VanDerWaalsContact ND2-CD2 3.26Å; N420-W422 VanDerWaalsContact ND2-CE3 3.29Å; N420-W426 HydrophobicContact CB-CE3 4.27Å; N420-W426 HydrophobicContact CB-CZ3 3.88Å; N420-W426 WeakPolarHBondContact ND2-CH2 3.41Å; N420-W426 VanDerWaalsContact ND2-CZ3 3.26Å; N420-W426 WeakPolarHBondContact ND2-CZ3 3.5Å; N420-G430 WeakPolarHBondContact CB-O 3.19Å; N420-G430 PolarHBondContact N-O 2.62Å; N420-F432 HydrophobicContact CB-CD1 4.25Å; N420-F432 HydrophobicContact CB-CE1 4.28Å
421	S	97.8	Very high	98	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.028	20%	0.203	C	C	.	.	S	Bend	trans	-123.1	35.1	178.1	39.5	0	0	0	0	112.2	R239 N240 Q241	R239-S421 CarbonylContact O-C 3.4Å; R239-S421 WeakPolarHBondContact O-CA 3.46Å; N240-S421 CarbonylContact C-O 2.95Å; N240-S421 VanDerWaalsContact CA-O 3.32Å; N240-S421 WeakPolarHBondContact CA-O 3.31Å; Q241-S421 WeakPolarHBondContact CG-O 3.47Å; Q241-S421 PolarHBondContact N-O 2.82Å; Q241-S421 PolarHBondContact OE1-OG 3.01Å
422	W	97.4	Very high	98.2	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.027	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-108.8	12.7	-175.2	-75.8	3.7	0	0	0	114.1	R188 A189 V366 F370 H398 N420 W426	R188-W422 HydrophobicContact CG-CZ2 4.32Å; R188-W422 VanDerWaalsContact NH2-CB 3.35Å; R188-W422 PolarHBondContact O-NE1 2.84Å; A189-W422 HydrophobicContact CB-CZ2 4.49Å; V366-W422 HydrophobicContact CG1-CH2 4.22Å; F370-W422 AromaticContact CD1-CH2 3.6Å; F370-W422 HydrophobicContact CD1-CH2 3.6Å; F370-W422 AromaticContact CD1-CZ3 3.7Å; F370-W422 HydrophobicContact CD1-CZ3 3.7Å; F370-W422 HydrophobicContact CE1-CE3 4.42Å; F370-W422 AromaticContact CE1-CH2 3.58Å; F370-W422 HydrophobicContact CE1-CH2 3.58Å; F370-W422 HydrophobicContact CE1-CZ2 4.46Å; F370-W422 AromaticContact CE1-CZ3 3.55Å; F370-W422 HydrophobicContact CE1-CZ3 3.55Å; H398-W422 AromaticContact CE1-NE1 3.8Å; H398-W422 AromaticContact NE2-CE2 3.87Å; H398-W422 AromaticContact NE2-CZ2 3.97Å; H398-W422 AromaticContact NE2-NE1 3.69Å; N420-W422 VanDerWaalsContact ND2-CD2 3.26Å; N420-W422 VanDerWaalsContact ND2-CE3 3.29Å; W422-W426 HydrophobicContact CB-CB 4.4Å; W422-W426 HydrophobicContact CB-CD2 4.43Å; W422-W426 HydrophobicContact CB-CG 4.36Å; W422-W426 AromaticContact CE3-CD2 3.82Å; W422-W426 HydrophobicContact CE3-CD2 3.82Å; W422-W426 AromaticContact CE3-CE2 3.5Å; W422-W426 HydrophobicContact CE3-CE3 4.41Å; W422-W426 HydrophobicContact CE3-CG 4.19Å; W422-W426 HydrophobicContact CE3-CH2 4.47Å; W422-W426 AromaticContact CE3-CZ2 3.84Å; W422-W426 HydrophobicContact CE3-CZ2 3.84Å; W422-W426 AromaticContact CE3-NE1 3.68Å; W422-W426 AromaticContact CZ3-CE2 3.78Å; W422-W426 AromaticContact CZ3-CZ2 3.77Å; W422-W426 HydrophobicContact CZ3-CZ2 3.77Å; W422-W426 AromaticContact CZ3-NE1 3.9Å
423	G	97.6	Very high	98.3	Very high	11 Å²	11	34 Å²	34	11%	0.113	17%	0.167	C	C	.	.			trans	89.2	162.8	-176.1	0	0	0	0	0	113.3	R239 E425 G430	R239-G423 PolarHBondContact O-N 2.91Å; R239-G423 VanDerWaalsContact O-N 3.11Å; G423-E425 VanDerWaalsContact C-N 3.33Å; G423-G430 VanDerWaalsContact O-CA 3.31Å; G423-G430 WeakPolarHBondContact O-CA 3.2Å
424	V	98.1	Very high	98.3	Very high	77 Å²	77	31.7 Å²	31.7	47%	0.467	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.9	-176.3	-66.6	0	0	0	0	113.5	I238 W426 Q429 G430	I238-V424 HydrophobicContact CB-CG1 3.65Å; I238-V424 HydrophobicContact CG1-CG1 3.97Å; I238-V424 HydrophobicContact CG2-CG1 4.04Å; V424-W426 VanDerWaalsContact C-N 3.25Å; V424-W426 PolarHBondContact O-N 2.88Å; V424-Q429 CarbonylContact O-C 3.44Å; V424-Q429 WeakPolarHBondContact O-CA 3.42Å; V424-G430 PolarHBondContact O-N 3.1Å
425	E	97.1	Very high	98.3	Very high	147 Å²	147	30.7 Å²	30.7	69%	0.687	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-21.9	-179	-57.5	-54.7	135.6	0	0	112.6	G423	G423-E425 VanDerWaalsContact C-N 3.33Å
426	W	98.2	Very high	98.2	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.008	15%	0.145	C	C	.	.	S	Bend	trans	-88.8	139.5	-179.8	-178.9	88.6	0	0	0	111.4	Y174 F370 Q371 Y373 N420 W422 V424 G430 F432	Y174-W426 HydrophobicContact CE1-CB 4.42Å; Y174-W426 AromaticContact CE2-CD1 3.65Å; Y174-W426 AromaticContact CE2-NE1 3.91Å; Y174-W426 AromaticContact CZ-CD1 3.67Å; F370-W426 HydrophobicContact CD1-CZ2 4.23Å; F370-W426 AromaticContact CE1-CH2 3.76Å; F370-W426 HydrophobicContact CE1-CH2 3.76Å; F370-W426 AromaticContact CE1-CZ2 3.72Å; F370-W426 HydrophobicContact CE1-CZ2 3.72Å; F370-W426 AromaticContact CE2-CH2 3.86Å; F370-W426 HydrophobicContact CE2-CH2 3.86Å; F370-W426 HydrophobicContact CE2-CZ2 4.16Å; F370-W426 AromaticContact CZ-CH2 3.32Å; F370-W426 HydrophobicContact CZ-CH2 3.32Å; F370-W426 AromaticContact CZ-CZ2 3.71Å; F370-W426 HydrophobicContact CZ-CZ2 3.71Å; F370-W426 HydrophobicContact CZ-CZ3 4.42Å; F370-W426 WeakPolarHBondContact O-CZ2 3.16Å; Q371-W426 PolarHBondContact O-NE1 2.87Å; Y373-W426 AromaticContact CD1-CH2 3.82Å; Y373-W426 HydrophobicContact CD1-CH2 3.82Å; Y373-W426 HydrophobicContact CD1-CZ2 4.06Å; Y373-W426 HydrophobicContact CD1-CZ3 4.38Å; Y373-W426 HydrophobicContact CG-CH2 4.45Å; Y373-W426 HydrophobicContact CG-CZ2 4.41Å; N420-W426 HydrophobicContact CB-CE3 4.27Å; N420-W426 HydrophobicContact CB-CZ3 3.88Å; N420-W426 WeakPolarHBondContact ND2-CH2 3.41Å; N420-W426 VanDerWaalsContact ND2-CZ3 3.26Å; N420-W426 WeakPolarHBondContact ND2-CZ3 3.5Å; W422-W426 HydrophobicContact CB-CB 4.4Å; W422-W426 HydrophobicContact CB-CD2 4.43Å; W422-W426 HydrophobicContact CB-CG 4.36Å; W422-W426 AromaticContact CE3-CD2 3.82Å; W422-W426 HydrophobicContact CE3-CD2 3.82Å; W422-W426 AromaticContact CE3-CE2 3.5Å; W422-W426 HydrophobicContact CE3-CE3 4.41Å; W422-W426 HydrophobicContact CE3-CG 4.19Å; W422-W426 HydrophobicContact CE3-CH2 4.47Å; W422-W426 AromaticContact CE3-CZ2 3.84Å; W422-W426 HydrophobicContact CE3-CZ2 3.84Å; W422-W426 AromaticContact CE3-NE1 3.68Å; W422-W426 AromaticContact CZ3-CE2 3.78Å; W422-W426 AromaticContact CZ3-CZ2 3.77Å; W422-W426 HydrophobicContact CZ3-CZ2 3.77Å; W422-W426 AromaticContact CZ3-NE1 3.9Å; V424-W426 VanDerWaalsContact C-N 3.25Å; V424-W426 PolarHBondContact O-N 2.88Å; W426-G430 WeakPolarHBondContact O-CA 3.29Å; W426-G430 PolarHBondContact O-N 3.27Å; W426-F432 HydrophobicContact CH2-CB 3.98Å; W426-F432 HydrophobicContact CH2-CD1 4.03Å; W426-F432 HydrophobicContact CH2-CG 4.2Å; W426-F432 HydrophobicContact CZ3-CB 4.13Å; W426-F432 HydrophobicContact CZ3-CD1 4.03Å; W426-F432 HydrophobicContact CZ3-CG 4.46Å
427	G	98.6	Very high	97.9	Very high	5 Å²	5	31.4 Å²	31.4	5%	0.052	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	-147.2	176.4	0	0	0	0	0	113.4	Y174 K374 Q429	Y174-G427 PolarHBondContact OH-N 3.48Å; K374-G427 CarbonylContact O-C 3.59Å; K374-G427 VanDerWaalsContact O-CA 3.27Å; K374-G427 WeakPolarHBondContact O-CA 3.45Å; G427-Q429 VanDerWaalsContact C-N 3.29Å; G427-Q429 PolarHBondContact O-N 3.03Å
428	E	98.6	Very high	97.6	Very high	47 Å²	47	33.4 Å²	33.4	22%	0.22	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-83.8	71.4	178.7	-59.9	-177.6	153.6	0	0	109.4	Y373 K374 E375 G376 G430 Y431 R433	Y373-E428 HydrophobicContact CE1-CG 4.23Å; Y373-E428 PolarHBondContact OH-OE1 3.36Å; K374-E428 PolarHBondContact O-N 3.37Å; E375-E428 HydrophobicContact CB-CG 4.04Å; G376-E428 PolarHBondContact N-OE1 2.78Å; G376-E428 VanDerWaalsContact N-OE1 3.11Å; E428-G430 VanDerWaalsContact C-N 3.34Å; E428-G430 PolarHBondContact O-N 2.83Å; E428-Y431 PolarHBondContact N-O 3.18Å; E428-Y431 WeakPolarHBondContact O-CB 3.41Å; E428-Y431 WeakPolarHBondContact O-CD2 3.44Å; E428-Y431 PolarHBondContact O-N 2.85Å; E428-Y431 VanDerWaalsContact O-N 3.13Å; E428-R433 IonicContact OE1-CZ 3.63Å; E428-R433 VanDerWaalsContact OE1-CZ 3.24Å; E428-R433 IonicContact OE1-NE 3.67Å; E428-R433 PolarHBondContact OE1-NE 2.86Å; E428-R433 IonicContact OE1-NH2 3.89Å; E428-R433 PolarHBondContact OE1-NH2 2.78Å; E428-R433 WeakPolarHBondContact OE2-CG 3.37Å; E428-R433 IonicContact OE2-NE 2.93Å; E428-R433 PolarHBondContact OE2-NE 3.17Å
429	Q	98.2	Very high	97.2	Very high	157 Å²	157	34.8 Å²	34.8	73%	0.734	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	42.1	-174.8	-58.5	178.9	43.4	0	0	113.3	I238 V424 G427	I238-Q429 WeakPolarHBondContact CG1-O 3.25Å; V424-Q429 CarbonylContact O-C 3.44Å; V424-Q429 WeakPolarHBondContact O-CA 3.42Å; G427-Q429 VanDerWaalsContact C-N 3.29Å; G427-Q429 PolarHBondContact O-N 3.03Å
430	G	98.5	Very high	97	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	2.8	-175.8	0	0	0	0	0	115.1	N420 G423 V424 W426 E428	N420-G430 WeakPolarHBondContact CB-O 3.19Å; N420-G430 PolarHBondContact N-O 2.62Å; G423-G430 VanDerWaalsContact O-CA 3.31Å; G423-G430 WeakPolarHBondContact O-CA 3.2Å; V424-G430 PolarHBondContact O-N 3.1Å; W426-G430 WeakPolarHBondContact O-CA 3.29Å; W426-G430 PolarHBondContact O-N 3.27Å; E428-G430 VanDerWaalsContact C-N 3.34Å; E428-G430 PolarHBondContact O-N 2.83Å
431	Y	98.8	Very high	96.6	Very high	34 Å²	34	36.5 Å²	36.5	13%	0.133	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	164.9	171.6	-61.7	-97	0	0	0	111.1	T225 I238 V403 K417 V418 K419 E428	T225-Y431 HydrophobicContact CG2-CE1 3.71Å; I238-Y431 HydrophobicContact CD1-CD2 3.93Å; I238-Y431 HydrophobicContact CD1-CE1 4.34Å; I238-Y431 HydrophobicContact CD1-CE2 3.51Å; I238-Y431 HydrophobicContact CD1-CG 4.5Å; I238-Y431 HydrophobicContact CG1-CE2 4.03Å; V403-Y431 HydrophobicContact CG2-CD1 4.17Å; V403-Y431 HydrophobicContact CG2-CE1 4.04Å; K417-Y431 HydrophobicContact CG-CD1 4.49Å; V418-Y431 CarbonylContact O-C 3.01Å; V418-Y431 VanDerWaalsContact O-CA 3.23Å; V418-Y431 WeakPolarHBondContact O-CA 2.97Å; V418-Y431 WeakPolarHBondContact O-CB 3.01Å; K419-Y431 HydrophobicContact CB-CD1 3.82Å; K419-Y431 HydrophobicContact CB-CE1 3.55Å; K419-Y431 HydrophobicContact CD-CE1 4.32Å; K419-Y431 HydrophobicContact CG-CD1 4.41Å; K419-Y431 HydrophobicContact CG-CE1 3.91Å; E428-Y431 PolarHBondContact N-O 3.18Å; E428-Y431 WeakPolarHBondContact O-CB 3.41Å; E428-Y431 WeakPolarHBondContact O-CD2 3.44Å; E428-Y431 PolarHBondContact O-N 2.85Å; E428-Y431 VanDerWaalsContact O-N 3.13Å
432	F	98.8	Very high	96.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	159.9	165.3	66.4	-79.8	0	0	0	110	F364 F370 Y373 V400 V418 N420 W426 I434	F364-F432 HydrophobicContact CE1-CZ 4.02Å; F364-F432 HydrophobicContact CE2-CZ 4.47Å; F364-F432 AromaticContact CZ-CZ 3.95Å; F364-F432 HydrophobicContact CZ-CZ 3.95Å; F370-F432 HydrophobicContact CE2-CD1 4.35Å; F370-F432 AromaticContact CE2-CD2 3.72Å; F370-F432 HydrophobicContact CE2-CD2 3.72Å; F370-F432 HydrophobicContact CE2-CE1 4.45Å; F370-F432 AromaticContact CE2-CE2 3.84Å; F370-F432 HydrophobicContact CE2-CE2 3.84Å; F370-F432 AromaticContact CE2-CG 3.97Å; F370-F432 HydrophobicContact CE2-CG 3.97Å; F370-F432 HydrophobicContact CE2-CZ 4.19Å; F370-F432 AromaticContact CZ-CD1 3.94Å; F370-F432 HydrophobicContact CZ-CD1 3.94Å; F370-F432 HydrophobicContact CZ-CD2 4.1Å; F370-F432 AromaticContact CZ-CE1 3.86Å; F370-F432 HydrophobicContact CZ-CE1 3.86Å; F370-F432 HydrophobicContact CZ-CE2 4.03Å; F370-F432 HydrophobicContact CZ-CG 4.04Å; F370-F432 AromaticContact CZ-CZ 3.89Å; F370-F432 HydrophobicContact CZ-CZ 3.89Å; Y373-F432 HydrophobicContact CD1-CB 3.7Å; Y373-F432 HydrophobicContact CE1-CB 3.25Å; Y373-F432 HydrophobicContact CE2-CB 4.45Å; Y373-F432 HydrophobicContact CG-CB 4.48Å; V400-F432 HydrophobicContact CB-CE1 4.49Å; V400-F432 HydrophobicContact CG1-CE1 4.18Å; V400-F432 HydrophobicContact CG1-CZ 4.49Å; V400-F432 HydrophobicContact CG2-CZ 4.23Å; V418-F432 HydrophobicContact CB-CD1 3.95Å; V418-F432 HydrophobicContact CB-CD2 4.33Å; V418-F432 HydrophobicContact CB-CE1 3.52Å; V418-F432 HydrophobicContact CB-CE2 3.95Å; V418-F432 HydrophobicContact CB-CG 4.35Å; V418-F432 HydrophobicContact CB-CZ 3.54Å; V418-F432 HydrophobicContact CG1-CD1 4.2Å; V418-F432 HydrophobicContact CG1-CE1 3.34Å; V418-F432 HydrophobicContact CG1-CE2 4.28Å; V418-F432 HydrophobicContact CG1-CZ 3.4Å; V418-F432 VanDerWaalsContact CG1-CZ 3.4Å; V418-F432 HydrophobicContact CG2-CE2 4.15Å; V418-F432 HydrophobicContact CG2-CZ 4.07Å; V418-F432 PolarHBondContact N-O 3.42Å; V418-F432 PolarHBondContact O-N 2.97Å; N420-F432 HydrophobicContact CB-CD1 4.25Å; N420-F432 HydrophobicContact CB-CE1 4.28Å; W426-F432 HydrophobicContact CH2-CB 3.98Å; W426-F432 HydrophobicContact CH2-CD1 4.03Å; W426-F432 HydrophobicContact CH2-CG 4.2Å; W426-F432 HydrophobicContact CZ3-CB 4.13Å; W426-F432 HydrophobicContact CZ3-CD1 4.03Å; W426-F432 HydrophobicContact CZ3-CG 4.46Å; F432-I434 HydrophobicContact CD2-CB 4.1Å; F432-I434 HydrophobicContact CD2-CG2 4.42Å; F432-I434 HydrophobicContact CE2-CB 3.93Å; F432-I434 HydrophobicContact CE2-CD1 4.43Å; F432-I434 HydrophobicContact CE2-CG2 3.96Å
433	R	98.8	Very high	96	Very high	43 Å²	43	36.5 Å²	36.5	16%	0.162	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.8	170	-63.3	175.9	-74.4	151.3	-1.7	108.7	Y373 I377 Y378 D408 Y415 W416 E428	Y373-R433 PolarHBondContact OH-N 2.81Å; Y373-R433 VanDerWaalsContact OH-N 3.07Å; I377-R433 HydrophobicContact CD1-CB 3.62Å; I377-R433 HydrophobicContact CD1-CG 4.39Å; Y378-R433 WeakPolarHBondContact CB-O 3.34Å; Y378-R433 PolarHBondContact N-O 3.25Å; D408-R433 IonicContact OD1-NH1 2.99Å; D408-R433 PolarHBondContact OD1-NH1 3.33Å; Y415-R433 HydrophobicContact CD2-CB 3.85Å; Y415-R433 HydrophobicContact CD2-CG 3.63Å; Y415-R433 HydrophobicContact CE2-CG 3.84Å; Y415-R433 HydrophobicContact CG-CB 4.05Å; Y415-R433 HydrophobicContact CG-CG 4.23Å; W416-R433 VanDerWaalsContact O-CA 3.24Å; W416-R433 WeakPolarHBondContact O-CA 3.12Å; E428-R433 IonicContact OE1-CZ 3.63Å; E428-R433 VanDerWaalsContact OE1-CZ 3.24Å; E428-R433 IonicContact OE1-NE 3.67Å; E428-R433 PolarHBondContact OE1-NE 2.86Å; E428-R433 IonicContact OE1-NH2 3.89Å; E428-R433 PolarHBondContact OE1-NH2 2.78Å; E428-R433 WeakPolarHBondContact OE2-CG 3.37Å; E428-R433 IonicContact OE2-NE 2.93Å; E428-R433 PolarHBondContact OE2-NE 3.17Å
434	I	98.5	Very high	95.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146	-179	-176	168.1	0	0	0	109.6	F364 Y378 Y415 W416 V418 F432 R436 E440 C441 V443	F364-I434 HydrophobicContact CD2-CD1 4.37Å; Y378-I434 HydrophobicContact CD1-CD1 3.98Å; Y378-I434 HydrophobicContact CD1-CG1 4.08Å; Y415-I434 CarbonylContact C-O 3.58Å; Y415-I434 WeakPolarHBondContact CA-O 3.08Å; Y415-I434 WeakPolarHBondContact CB-O 3Å; W416-I434 HydrophobicContact CB-CG2 3.92Å; W416-I434 PolarHBondContact N-O 2.53Å; W416-I434 PolarHBondContact O-N 3.29Å; V418-I434 HydrophobicContact CG2-CG2 4.03Å; F432-I434 HydrophobicContact CD2-CB 4.1Å; F432-I434 HydrophobicContact CD2-CG2 4.42Å; F432-I434 HydrophobicContact CE2-CB 3.93Å; F432-I434 HydrophobicContact CE2-CD1 4.43Å; F432-I434 HydrophobicContact CE2-CG2 3.96Å; I434-R436 PolarHBondContact O-N 3.43Å; I434-E440 HydrophobicContact CD1-CB 4.24Å; I434-E440 HydrophobicContact CD1-CG 4.02Å; I434-E440 HydrophobicContact CG1-CB 4.01Å; I434-E440 HydrophobicContact CG1-CG 3.8Å; I434-C441 HydrophobicContact CD1-CB 4.28Å; I434-V443 HydrophobicContact CD1-CB 4.29Å; I434-V443 HydrophobicContact CD1-CG1 4.28Å; I434-V443 HydrophobicContact CG2-CG1 4.29Å; I434-V443 HydrophobicContact CG2-CG2 4.3Å
435	L	97.9	Very high	95.1	Very high	21 Å²	21	32.4 Å²	32.4	11%	0.11	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	129.9	-179.4	-179.5	66.1	0	0	0	111.6	I377 Y378 H379 P414 T438 E440	I377-L435 HydrophobicContact CG2-CB 4.38Å; Y378-L435 PolarHBondContact O-N 3.02Å; Y378-L435 VanDerWaalsContact O-N 3.12Å; H379-L435 VanDerWaalsContact CE1-CB 3.41Å; H379-L435 WeakPolarHBondContact CE1-CB 3.43Å; H379-L435 VanDerWaalsContact CE1-CD1 3.47Å; H379-L435 WeakPolarHBondContact CE1-CD1 3.35Å; H379-L435 WeakPolarHBondContact CE1-CD2 3.43Å; H379-L435 VanDerWaalsContact CE1-CG 3.46Å; H379-L435 WeakPolarHBondContact CE1-CG 3.5Å; H379-L435 VanDerWaalsContact ND1-CD2 3.29Å; H379-L435 WeakPolarHBondContact ND1-CD2 3.46Å; P414-L435 HydrophobicContact CG-CD1 4.47Å; L435-T438 HydrophobicContact CD2-CG2 3.77Å; L435-T438 WeakPolarHBondContact CD2-OG1 3.32Å; L435-E440 HydrophobicContact CB-CB 3.94Å; L435-E440 HydrophobicContact CB-CG 4.09Å
436	R	96.5	Very high	94.7	Very high	18 Å²	18	26.2 Å²	26.2	7%	0.068	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	145.6	176.2	169.8	170.7	62.4	83.8	-1.5	111.2	E347 G406 P414 Y415 W416 I434	E347-R436 HydrophobicContact CG-CG 3.85Å; E347-R436 WeakPolarHBondContact OE1-CG 3.44Å; E347-R436 IonicContact OE1-CZ 3.68Å; E347-R436 IonicContact OE1-NH1 2.63Å; E347-R436 PolarHBondContact OE1-NH1 3.2Å; G406-R436 PolarHBondContact O-NH2 2.98Å; G406-R436 VanDerWaalsContact O-NH2 3.16Å; P414-R436 HydrophobicContact CB-CB 4.26Å; P414-R436 VanDerWaalsContact CB-NH2 3.28Å; P414-R436 WeakPolarHBondContact CG-O 3.38Å; P414-R436 PolarHBondContact O-N 2.78Å; Y415-R436 PolarHBondContact O-NE 3.28Å; W416-R436 HydrophobicContact CD2-CB 4.25Å; W416-R436 HydrophobicContact CD2-CG 4.08Å; W416-R436 VanDerWaalsContact CE2-CG 3.44Å; W416-R436 HydrophobicContact CG-CB 4.06Å; W416-R436 HydrophobicContact CG-CG 4.39Å; W416-R436 HydrophobicContact CZ2-CG 3.71Å; I434-R436 PolarHBondContact O-N 3.43Å
437	G	92.8	Very high	94.5	Very high	34 Å²	34	26.1 Å²	26.1	35%	0.351	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.5	-9.1	171.8	0	0	0	0	0	114.5	E444	G437-E444 PolarHBondContact N-OE1 3.25Å
438	T	91.5	Very high	94.5	Very high	81 Å²	81	26 Å²	26	50%	0.497	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	3.5	-177	57.9	0	0	0	0	114	L435 E440	L435-T438 HydrophobicContact CD2-CG2 3.77Å; L435-T438 WeakPolarHBondContact CD2-OG1 3.32Å; T438-E440 VanDerWaalsContact C-N 3.26Å; T438-E440 PolarHBondContact O-N 2.04Å
439	D	91.2	Very high	94.5	Very high	30 Å²	30	25.5 Å²	25.5	16%	0.16	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	41.9	-167.6	-156	18.7	0	0	0	112.9	R198 C441 G442 V443 E444 S445	R198-D439 IonicContact NH1-OD2 2.76Å; D439-C441 PolarHBondContact O-N 3.34Å; D439-G442 WeakPolarHBondContact O-CA 3.32Å; D439-G442 PolarHBondContact O-N 3.39Å; D439-G442 WeakPolarHBondContact OD1-CA 3.34Å; D439-V443 PolarHBondContact OD1-N 2.73Å; D439-E444 WeakPolarHBondContact CA-OE2 2.95Å; D439-E444 HydrophobicContact CB-CB 4.29Å; D439-E444 PolarHBondContact N-OE2 2.83Å; D439-E444 VanDerWaalsContact OD1-CA 3.29Å; D439-E444 WeakPolarHBondContact OD1-CA 2.99Å; D439-E444 WeakPolarHBondContact OD1-CB 3.33Å; D439-E444 PolarHBondContact OD1-N 2.88Å; D439-S445 WeakPolarHBondContact OD1-CB 3.25Å; D439-S445 PolarHBondContact OD1-OG 3.24Å; D439-S445 WeakPolarHBondContact OD2-CB 3.41Å; D439-S445 PolarHBondContact OD2-OG 2.86Å
440	E	93.4	Very high	94.5	Very high	38 Å²	38	18 Å²	18	18%	0.178	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-52.5	125	179.3	-174.9	62.3	-156.6	0	0	110.4	H379 H380 I434 L435 T438 G442 V443	H379-E440 WeakPolarHBondContact CA-OE1 3.19Å; H380-E440 PolarHBondContact N-OE1 3.32Å; I434-E440 HydrophobicContact CD1-CB 4.24Å; I434-E440 HydrophobicContact CD1-CG 4.02Å; I434-E440 HydrophobicContact CG1-CB 4.01Å; I434-E440 HydrophobicContact CG1-CG 3.8Å; L435-E440 HydrophobicContact CB-CB 3.94Å; L435-E440 HydrophobicContact CB-CG 4.09Å; T438-E440 VanDerWaalsContact C-N 3.26Å; T438-E440 PolarHBondContact O-N 2.04Å; E440-G442 PolarHBondContact O-N 3.11Å; E440-V443 WeakPolarHBondContact O-CB 3.3Å; E440-V443 VanDerWaalsContact O-CG1 3.32Å; E440-V443 WeakPolarHBondContact O-CG1 3.39Å; E440-V443 PolarHBondContact O-N 3.44Å; E440-V443 VanDerWaalsContact O-N 3.1Å
441	C	90.9	Very high	94.5	Very high	10 Å²	10	20.1 Å²	20.1	7%	0.068	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	51	25.6	-173.8	-52.4	0	0	0	0	114	F364 E365 Y367 I434 D439 V443	F364-C441 CarbonylContact C-O 3.51Å; F364-C441 VanDerWaalsContact CA-O 3.27Å; F364-C441 WeakPolarHBondContact CA-O 3.4Å; F364-C441 HydrophobicContact CB-CB 4.41Å; F364-C441 WeakPolarHBondContact CB-O 3.46Å; F364-C441 HydrophobicContact CD2-CB 3.97Å; E365-C441 HydrophobicContact CB-CB 4.31Å; E365-C441 PolarHBondContact N-O 2.75Å; E365-C441 WeakPolarHBondContact O-CB 3.16Å; Y367-C441 HydrophobicContact CE2-CB 4.29Å; I434-C441 HydrophobicContact CD1-CB 4.28Å; D439-C441 PolarHBondContact O-N 3.34Å; C441-V443 VanDerWaalsContact C-N 3.32Å; C441-V443 PolarHBondContact O-N 3.02Å
442	G	88.5	Confident	94.4	Very high	11 Å²	11	19.4 Å²	19.4	11%	0.113	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	72.7	16.5	-179.8	0	0	0	0	0	115.4	G363 D439 E440 E444 S445	G363-G442 VanDerWaalsContact O-O 3.09Å; D439-G442 WeakPolarHBondContact O-CA 3.32Å; D439-G442 PolarHBondContact O-N 3.39Å; D439-G442 WeakPolarHBondContact OD1-CA 3.34Å; E440-G442 PolarHBondContact O-N 3.11Å; G442-E444 PolarHBondContact O-N 2.88Å; G442-S445 WeakPolarHBondContact O-CB 3.46Å
443	V	92.7	Very high	94.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.1	-175.1	72.9	0	0	0	0	114.2	V362 G363 F364 I434 D439 E440 C441 S445	V362-V443 HydrophobicContact CG2-CG2 3.88Å; G363-V443 WeakPolarHBondContact O-CA 3.5Å; F364-V443 HydrophobicContact CB-CB 3.89Å; F364-V443 HydrophobicContact CB-CG2 4.17Å; I434-V443 HydrophobicContact CD1-CB 4.29Å; I434-V443 HydrophobicContact CD1-CG1 4.28Å; I434-V443 HydrophobicContact CG2-CG1 4.29Å; I434-V443 HydrophobicContact CG2-CG2 4.3Å; D439-V443 PolarHBondContact OD1-N 2.73Å; E440-V443 WeakPolarHBondContact O-CB 3.3Å; E440-V443 VanDerWaalsContact O-CG1 3.32Å; E440-V443 WeakPolarHBondContact O-CG1 3.39Å; E440-V443 PolarHBondContact O-N 3.44Å; E440-V443 VanDerWaalsContact O-N 3.1Å; C441-V443 VanDerWaalsContact C-N 3.32Å; C441-V443 PolarHBondContact O-N 3.02Å; V443-S445 VanDerWaalsContact C-N 3.32Å; V443-S445 PolarHBondContact O-N 2.94Å
444	E	92.3	Very high	93.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	30.9	-171.9	-57.1	-174.8	144.4	0	0	113.7	R204 T345 M350 W416 G437 D439 G442	R204-E444 IonicContact CZ-OE2 3.73Å; R204-E444 IonicContact NH1-OE2 2.7Å; R204-E444 PolarHBondContact NH1-OE2 2.97Å; R204-E444 IonicContact NH2-OE2 3.04Å; R204-E444 PolarHBondContact NH2-OE2 3.48Å; T345-E444 CarbonylContact C-O 3.37Å; T345-E444 VanDerWaalsContact CG2-O 3.26Å; T345-E444 WeakPolarHBondContact CG2-O 3.4Å; M350-E444 HydrophobicContact CE-CB 4.4Å; M350-E444 HydrophobicContact CE-CG 4.32Å; M350-E444 WeakPolarHBondContact SD-CA 2.97Å; M350-E444 HydrophobicContact SD-CB 3.75Å; M350-E444 HydrophobicContact SD-CG 4.17Å; W416-E444 PolarHBondContact NE1-OE1 3.35Å; G437-E444 PolarHBondContact N-OE1 3.25Å; D439-E444 WeakPolarHBondContact CA-OE2 2.95Å; D439-E444 HydrophobicContact CB-CB 4.29Å; D439-E444 PolarHBondContact N-OE2 2.83Å; D439-E444 VanDerWaalsContact OD1-CA 3.29Å; D439-E444 WeakPolarHBondContact OD1-CA 2.99Å; D439-E444 WeakPolarHBondContact OD1-CB 3.33Å; D439-E444 PolarHBondContact OD1-N 2.88Å; G442-E444 PolarHBondContact O-N 2.88Å
445	S	85.8	Confident	93.6	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.014	16%	0.162	C	C	.	.	S	Bend	trans	-143.8	-19.3	-149.4	-119.1	0	0	0	0	113.7	R198 D439 G442 V443	R198-S445 PolarHBondContact NH1-OG 3.34Å; R198-S445 PolarHBondContact NH2-O 2.03Å; R198-S445 PolarHBondContact NH2-OG 3.14Å; D439-S445 WeakPolarHBondContact OD1-CB 3.25Å; D439-S445 PolarHBondContact OD1-OG 3.24Å; D439-S445 WeakPolarHBondContact OD2-CB 3.41Å; D439-S445 PolarHBondContact OD2-OG 2.86Å; G442-S445 WeakPolarHBondContact O-CB 3.46Å; V443-S445 VanDerWaalsContact C-N 3.32Å; V443-S445 PolarHBondContact O-N 2.94Å
446	L	88.2	Confident	93.4	Very high	18 Å²	18	28.3 Å²	28.3	9%	0.094	16%	0.164	C	C	.	.			trans	-130.8	39	176.9	-77.3	176.4	0	0	0	111.2	Y80 Y337 Y342	Y80-L446 HydrophobicContact CD2-CD1 4.2Å; Y337-L446 HydrophobicContact CD1-CD2 4.46Å; Y337-L446 HydrophobicContact CE1-CD2 3.63Å; Y342-L446 HydrophobicContact CD2-CD2 3.6Å; Y342-L446 HydrophobicContact CE2-CD2 3.4Å; Y342-L446 VanDerWaalsContact CE2-CD2 3.4Å; Y342-L446 HydrophobicContact CE2-CG 4.28Å
447	G	94.6	Very high	93.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.17	C	C	.	.			trans	-72.8	127.5	175.9	0	0	0	0	0	111.2	Y337 I338	Y337-G447 CarbonylContact C-O 3.41Å; Y337-G447 WeakPolarHBondContact CA-O 3.24Å; I338-G447 PolarHBondContact N-O 2.65Å
448	V	97.7	Very high	93.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.5	-177.8	179.8	0	0	0	0	110.3	P292 F293 S336 Y337 F360 P361	P292-V448 HydrophobicContact CB-CG2 4.25Å; F293-V448 HydrophobicContact CB-CG2 4.13Å; S336-V448 WeakPolarHBondContact O-CA 3.33Å; Y337-V448 HydrophobicContact CD1-CG2 4.04Å; Y337-V448 HydrophobicContact CE1-CG2 3.97Å; F360-V448 WeakPolarHBondContact CB-O 3.18Å; P361-V448 WeakPolarHBondContact CD-O 3.36Å; P361-V448 PolarHBondContact O-N 2.6Å
449	R	98.1	Very high	93.3	Very high	37 Å²	37	25.3 Å²	25.3	14%	0.14	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	157.2	170.8	60.5	145.8	-90.6	131.9	-6.1	111.4	D334 Y335 S336 I338 E353 D451	D334-R449 VanDerWaalsContact CB-NH2 3.3Å; D334-R449 PolarHBondContact O-NE 3.47Å; D334-R449 VanDerWaalsContact O-NE 3.16Å; D334-R449 PolarHBondContact O-NH2 3.22Å; D334-R449 IonicContact OD1-NH2 3.62Å; D334-R449 IonicContact OD2-CZ 3.2Å; D334-R449 IonicContact OD2-NH2 2.76Å; D334-R449 PolarHBondContact OD2-NH2 2.96Å; Y335-R449 CarbonylContact C-O 3.4Å; Y335-R449 WeakPolarHBondContact CA-O 3.39Å; S336-R449 PolarHBondContact N-O 2.77Å; S336-R449 WeakPolarHBondContact O-CG 3.41Å; S336-R449 PolarHBondContact O-N 2.69Å; S336-R449 WeakPolarHBondContact OG-CD 3.5Å; S336-R449 WeakPolarHBondContact OG-CG 3.49Å; I338-R449 HydrophobicContact CG1-CB 4.18Å; I338-R449 HydrophobicContact CG1-CG 4.4Å; E353-R449 HydrophobicContact CG-CB 4.18Å; E353-R449 VanDerWaalsContact OE1-CB 3.27Å; E353-R449 WeakPolarHBondContact OE1-CB 3.21Å; R449-D451 IonicContact CZ-OD2 2.94Å; R449-D451 IonicContact NH1-OD1 2.84Å; R449-D451 IonicContact NH1-OD2 2.79Å; R449-D451 IonicContact NH2-OD1 2.8Å; R449-D451 IonicContact NH2-OD2 2.65Å; R449-D451 PolarHBondContact NH2-OD2 3.3Å
450	F	98.6	Very high	93.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	160.3	171.9	58.6	-91	0	0	0	109.1	A255 L256 R259 A296 T332	A255-F450 HydrophobicContact CB-CE1 3.89Å; A255-F450 HydrophobicContact CB-CZ 3.57Å; L256-F450 HydrophobicContact CB-CE2 4.02Å; L256-F450 HydrophobicContact CB-CZ 4.17Å; L256-F450 HydrophobicContact CD1-CE2 3.96Å; R259-F450 PolarHBondContact NH1-O 2.77Å; A296-F450 HydrophobicContact CB-CD1 3.79Å; A296-F450 HydrophobicContact CB-CE1 3.56Å; A296-F450 HydrophobicContact CB-CZ 4.35Å; T332-F450 HydrophobicContact CG2-CD2 3.49Å; T332-F450 VanDerWaalsContact CG2-CD2 3.49Å; T332-F450 HydrophobicContact CG2-CE2 3.82Å; T332-F450 HydrophobicContact CG2-CG 4.2Å
451	D	98.4	Very high	93.5	Very high	45 Å²	45	24 Å²	24	24%	0.241	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.5	177.2	-60.4	-40.1	0	0	0	110.1	T332 T333 R449	T332-D451 CarbonylContact C-O 3.56Å; T332-D451 VanDerWaalsContact CA-O 3.29Å; T332-D451 WeakPolarHBondContact CA-O 3.33Å; T333-D451 HydrophobicContact CG2-CB 4.15Å; T333-D451 PolarHBondContact N-O 2.93Å; T333-D451 PolarHBondContact O-N 3.43Å; R449-D451 IonicContact CZ-OD2 2.94Å; R449-D451 IonicContact NH1-OD1 2.84Å; R449-D451 IonicContact NH1-OD2 2.79Å; R449-D451 IonicContact NH2-OD1 2.8Å; R449-D451 IonicContact NH2-OD2 2.65Å; R449-D451 PolarHBondContact NH2-OD2 3.3Å
452	P	98.1	Very high	93.7	Very high	19 Å²	19	25.1 Å²	25.1	12%	0.123	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	143.6	174.5	30.3	-33	0	0	0	110.9	L256 R259 I260 V263	L256-P452 HydrophobicContact CD1-CB 3.77Å; R259-P452 HydrophobicContact CB-CG 4Å; I260-P452 HydrophobicContact CG1-CB 3.78Å; V263-P452 HydrophobicContact CB-CG 4.28Å; V263-P452 HydrophobicContact CG2-CG 3.42Å; V263-P452 VanDerWaalsContact CG2-CG 3.42Å
453	V	96.2	Very high	94.1	Very high	72 Å²	72	26.3 Å²	26.3	44%	0.436	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115.9	169.3	-175	0	0	0	0	108	Y331 T333	Y331-V453 PolarHBondContact O-N 3.32Å; T333-V453 HydrophobicContact CG2-CG2 4.03Å
454	L	88.2	Confident	94.2	Very high	121 Å²	121	28.6 Å²	28.6	63%	0.634	15%	0.153	S	C	*	.			trans	-94.7	0	175.1	-65.5	-178	0	0	0	111.7	I260 V263	I260-L454 HydrophobicContact CG1-CD2 4.4Å; I260-L454 HydrophobicContact CG2-CD2 4.02Å; V263-L454 HydrophobicContact CB-CD1 3.91Å; V263-L454 HydrophobicContact CG1-CD1 4.07Å

Retrieved 454 of 454 residues in 99.1 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).