A0A087XMJ1_POEFO Loading...

chymotrypsin

AlphaFold DB , UniProt , Accession A0A087XMJ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 263 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	T	42.5	Very low	46.9	Very low	194 Å²	194	145.6 Å²	145.6	100%	1.19	79%	0.793	S	S	*	*				0	97.3	0	-49.2	0	0	0	0	108.4
2	I	40.3	Very low	46.8	Very low	151 Å²	151	147.1 Å²	147.1	77%	0.774	80%	0.798	S	S	*	*			trans	-86.8	112.2	-176	-67.4	169.5	0	0	0	107.3	F4	I2-F4 HydrophobicContact CG2-CD2 4.17Å; I2-F4 HydrophobicContact CG2-CE2 4.06Å
3	M	41.3	Very low	46.8	Very low	161 Å²	161	145.4 Å²	145.4	79%	0.793	80%	0.795	S	S	*	*			trans	-89.5	103.6	178.8	-167.8	163.5	70.4	0	0	108.5	L5	M3-L5 PolarHBondContact O-N 3.3Å
4	F	43.4	Very low	46.5	Very low	184 Å²	184	141 Å²	141	81%	0.807	79%	0.788	S	S	*	*			trans	-71	109.4	170.3	-86.5	-90.7	0	0	0	109.1	I2 L6	I2-F4 HydrophobicContact CG2-CD2 4.17Å; I2-F4 HydrophobicContact CG2-CE2 4.06Å; F4-L6 PolarHBondContact O-N 3.02Å
5	L	47.5	Very low	46.5	Very low	140 Å²	140	136.9 Å²	136.9	73%	0.733	77%	0.772	S	S	*	*			trans	-76.6	104.3	167.4	-117.3	111.7	0	0	0	108.3	M3 I7	M3-L5 PolarHBondContact O-N 3.3Å; L5-I7 PolarHBondContact O-N 3.38Å; L5-I7 VanDerWaalsContact O-N 3.14Å
6	L	49.5	Very low	46.5	Very low	165 Å²	165	136.6 Å²	136.6	86%	0.864	78%	0.775	S	S	*	*			trans	-71.4	100.1	167.3	-78.6	160.8	0	0	0	108.5	F4 S8	F4-L6 PolarHBondContact O-N 3.02Å; L6-S8 VanDerWaalsContact C-N 3.33Å; L6-S8 PolarHBondContact O-N 3.3Å
7	I	51.2	Low	47.3	Very low	150 Å²	150	134.4 Å²	134.4	77%	0.769	76%	0.759	S	S	*	*			trans	-72.5	94.1	167	-60.6	174.2	0	0	0	106.6	L5 C9	L5-I7 PolarHBondContact O-N 3.38Å; L5-I7 VanDerWaalsContact O-N 3.14Å; I7-C9 PolarHBondContact O-N 2.95Å
8	S	54.6	Low	49.4	Very low	84 Å²	84	129.3 Å²	129.3	59%	0.587	74%	0.742	S	S	*	*			trans	-66.7	100.3	167.4	179.2	0	0	0	0	108.1	L6 F10	L6-S8 VanDerWaalsContact C-N 3.33Å; L6-S8 PolarHBondContact O-N 3.3Å; S8-F10 VanDerWaalsContact C-N 3.25Å; S8-F10 PolarHBondContact O-N 3.07Å
9	C	46.4	Very low	51.8	Low	115 Å²	115	124.9 Å²	124.9	78%	0.777	72%	0.72	S	S	*	*			trans	-71.4	86.3	169.3	-163.5	0	0	0	0	107.6	I7 A11	I7-C9 PolarHBondContact O-N 2.95Å; C9-A11 PolarHBondContact O-N 3.4Å
10	F	51.8	Low	54.1	Low	181 Å²	181	118.7 Å²	118.7	79%	0.794	68%	0.684	S	S	*	*			trans	-65.3	90.6	160.5	-87.6	-83.9	0	0	0	106.8	S8 L12	S8-F10 VanDerWaalsContact C-N 3.25Å; S8-F10 PolarHBondContact O-N 3.07Å; F10-L12 PolarHBondContact O-N 3.19Å
11	A	47	Very low	56.2	Low	77 Å²	77	116.3 Å²	116.3	64%	0.636	67%	0.671	S	S	*	*			trans	-62.6	90.7	160.3	0	0	0	0	0	106.7	C9 V13	C9-A11 PolarHBondContact O-N 3.4Å; A11-V13 PolarHBondContact O-N 3.2Å
12	L	45.8	Very low	58.8	Low	163 Å²	163	107.1 Å²	107.1	85%	0.853	61%	0.614	S	S	*	*			trans	-59.6	91.2	154.3	-88.9	154.9	0	0	0	105.1	F10 A14	F10-L12 PolarHBondContact O-N 3.19Å; L12-A14 PolarHBondContact O-N 2.99Å
13	V	46.6	Very low	61.5	Low	125 Å²	125	104.6 Å²	104.6	76%	0.758	61%	0.606	S	S	*	*			trans	-65.3	85.7	160.9	-176.3	0	0	0	0	104.1	A11 S15	A11-V13 PolarHBondContact O-N 3.2Å; V13-S15 PolarHBondContact O-N 3.42Å
14	A	43.3	Very low	64.1	Low	84 Å²	84	99.2 Å²	99.2	69%	0.694	58%	0.58	S	S	*	*			trans	-60.9	93.5	161.2	0	0	0	0	0	104.4	L12 T16	L12-A14 PolarHBondContact O-N 2.99Å; A14-T16 VanDerWaalsContact C-N 3.28Å; A14-T16 PolarHBondContact O-N 3.42Å
15	S	46.7	Very low	66.6	Low	79 Å²	79	95.5 Å²	95.5	55%	0.552	56%	0.564	S	S	*	*			trans	-56.2	106.3	162.1	45.1	0	0	0	0	104.5	V13 L17	V13-S15 PolarHBondContact O-N 3.42Å; S15-L17 PolarHBondContact O-N 2.76Å
16	T	46.4	Very low	68.9	Low	132 Å²	132	89.8 Å²	89.8	81%	0.81	54%	0.535	S	S	*	.			trans	-50.8	102.9	159	49.9	0	0	0	0	104.2	A14 G18	A14-T16 VanDerWaalsContact C-N 3.28Å; A14-T16 PolarHBondContact O-N 3.42Å; T16-G18 PolarHBondContact O-N 3Å
17	L	59.5	Low	70.9	Confident	99 Å²	99	88 Å²	88	52%	0.518	52%	0.522	S	S	.	.			trans	-71	72.3	-177.4	-77.5	157.8	0	0	0	107.1	S15 F133	S15-L17 PolarHBondContact O-N 2.76Å; L17-F133 HydrophobicContact CB-CD2 4.31Å; L17-F133 HydrophobicContact CD1-CB 4.12Å; L17-F133 HydrophobicContact CD1-CD2 4.16Å; L17-F133 HydrophobicContact CD2-CB 4.43Å
18	G	84.6	Confident	72.6	Confident	43 Å²	43	83.1 Å²	83.1	44%	0.443	50%	0.5	S	S	.	.			trans	-67.3	160.5	169	0	0	0	0	0	109.4	T16	T16-G18 PolarHBondContact O-N 3Å
19	C	96.6	Very high	73.4	Confident	47 Å²	47	82 Å²	82	32%	0.318	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	161.1	175	58.3	0	0	0	0	111.3	V21 P139 C141	C19-V21 PolarHBondContact O-N 3.38Å; C19-P139 CarbonylContact C-O 3.54Å; C19-P139 VanDerWaalsContact CA-O 3.3Å; C19-P139 WeakPolarHBondContact CA-O 3.43Å; C19-P139 HydrophobicContact CB-CG 4.22Å; C19-C141 VanDerWaalsContact CA-SG 3.6Å; C19-C141 HydrophobicContact CB-CB 3.95Å; C19-C141 WeakPolarHBondContact CB-SG 3.1Å; C19-C141 PolarHBondContact O-SG 3.47Å; C19-C141 WeakPolarHBondContact SG-CA 3.31Å; C19-C141 WeakPolarHBondContact SG-CB 3.05Å; C19-C141 CovalentContact SG-SG 2.04Å; C19-C141 PolarHBondContact SG-SG 3.14Å
20	G	97.8	Very high	73.9	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	8.3	165.2	0	0	0	0	0	116	P22 P139 W225	G20-P22 WeakPolarHBondContact O-CD 3.31Å; G20-P139 PolarHBondContact N-O 3.46Å; G20-W225 VanDerWaalsContact CA-O 3.3Å; G20-W225 WeakPolarHBondContact CA-O 3.05Å; G20-W225 WeakPolarHBondContact O-CB 3.21Å; G20-W225 PolarHBondContact O-N 3.09Å
21	V	97.6	Very high	73.9	Confident	68 Å²	68	77.2 Å²	77.2	41%	0.412	47%	0.465	S	S	.	.			trans	-117.5	91.1	179.6	-174.9	0	0	0	0	109.1	C19 V224	C19-V21 PolarHBondContact O-N 3.38Å; V21-V224 HydrophobicContact CG2-CG2 4.01Å
22	P	97	Very high	73.7	Confident	1 Å²	1	79.8 Å²	79.8	1%	0.006	47%	0.468	C	S	.	.			trans	-70.2	139.9	-179	30	-34.8	0	0	0	110.3	G20 I24 K25 S44 P46 W47	G20-P22 WeakPolarHBondContact O-CD 3.31Å; P22-I24 WeakPolarHBondContact CB-O 3.33Å; P22-K25 HydrophobicContact CG-CD 4.43Å; P22-K25 PolarHBondContact O-NZ 3.48Å; P22-S44 WeakPolarHBondContact CB-O 3.39Å; P22-P46 HydrophobicContact CB-CG 3.83Å; P22-W47 HydrophobicContact CB-CZ3 4.35Å; P22-W47 HydrophobicContact CG-CH2 4.23Å; P22-W47 HydrophobicContact CG-CZ3 4.43Å
23	T	96.6	Very high	73.8	Confident	99 Å²	99	80.6 Å²	80.6	61%	0.607	47%	0.465	S	S	*	.	S	Bend	trans	-65	-43.8	173.4	-53.9	0	0	0	0	110.4
24	I	96.8	Very high	73.9	Confident	48 Å²	48	77.6 Å²	77.6	25%	0.246	44%	0.443	C	S	.	.	S	Bend	trans	-91.8	112.9	173.8	-59.3	169.8	0	0	0	107.5	P22 V41 S44 R136	P22-I24 WeakPolarHBondContact CB-O 3.33Å; I24-V41 HydrophobicContact CG2-CG1 3.74Å; I24-S44 VanDerWaalsContact O-CA 3.29Å; I24-S44 WeakPolarHBondContact O-CA 3.47Å; I24-S44 WeakPolarHBondContact O-CB 3.5Å; I24-R136 HydrophobicContact CD1-CG 4.39Å
25	K	96	Very high	74.3	Confident	105 Å²	105	77.6 Å²	77.6	46%	0.457	44%	0.435	S	S	.	.			trans	-73.3	130.3	-176.1	-62.7	-56	-175.9	-166.1	0	111.4	P22 Q27	P22-K25 HydrophobicContact CG-CD 4.43Å; P22-K25 PolarHBondContact O-NZ 3.48Å; K25-Q27 PolarHBondContact O-N 3.31Å; K25-Q27 PolarHBondContact O-NE2 3.11Å
26	P	95	Very high	75.2	Confident	21 Å²	21	76.6 Å²	76.6	14%	0.136	42%	0.423	C	S	.	.			trans	-63	137.3	175.6	27.2	-34.2	0	0	0	110.2	V28 W45 W225	P26-V28 HydrophobicContact CB-CG2 4.28Å; P26-W45 HydrophobicContact CB-CD2 4.43Å; P26-W45 HydrophobicContact CB-CH2 3.79Å; P26-W45 HydrophobicContact CB-CZ2 3.32Å; P26-W45 HydrophobicContact CB-CZ3 4.48Å; P26-W45 HydrophobicContact CG-CH2 3.71Å; P26-W45 HydrophobicContact CG-CZ2 3.81Å; P26-W45 HydrophobicContact CG-CZ3 4.18Å; P26-W225 HydrophobicContact CG-CZ2 3.89Å
27	Q	92.3	Very high	76.4	Confident	126 Å²	126	71 Å²	71	59%	0.589	39%	0.392	S	S	*	.			trans	-105.7	91.8	172.9	-60.3	-56.6	-58.3	0	0	107.1	K25 S29 V41 Q174	K25-Q27 PolarHBondContact O-N 3.31Å; K25-Q27 PolarHBondContact O-NE2 3.11Å; Q27-S29 PolarHBondContact O-N 3.32Å; Q27-V41 HydrophobicContact CB-CG2 3.86Å; Q27-V41 HydrophobicContact CG-CG2 3.86Å; Q27-Q174 PolarHBondContact O-NE2 3.08Å
28	V	86.8	Confident	77.6	Confident	49 Å²	49	67.9 Å²	67.9	30%	0.297	37%	0.374	S	S	.	.			trans	-91.3	100	180	-170.7	0	0	0	0	108.2	P26 E38 W45 V156	P26-V28 HydrophobicContact CB-CG2 4.28Å; V28-E38 VanDerWaalsContact CA-OE1 3.23Å; V28-E38 WeakPolarHBondContact CA-OE1 3.47Å; V28-W45 HydrophobicContact CG2-CZ2 4.04Å; V28-V156 HydrophobicContact CG2-CG2 4.2Å
29	S	71.3	Confident	77.9	Confident	61 Å²	61	70.3 Å²	70.3	43%	0.427	38%	0.377	S	S	.	.			trans	-72.7	138.9	179.2	86.8	0	0	0	0	109.2	Q27 I34 E38	Q27-S29 PolarHBondContact O-N 3.32Å; S29-I34 VanDerWaalsContact OG-CD1 3.28Å; S29-I34 WeakPolarHBondContact OG-CD1 3.47Å; S29-E38 WeakPolarHBondContact CB-OE2 3.15Å; S29-E38 PolarHBondContact N-OE1 3.34Å; S29-E38 PolarHBondContact N-OE2 3.37Å; S29-E38 PolarHBondContact OG-OE2 3.32Å
30	G	55.7	Low	77.7	Confident	37 Å²	37	68.3 Å²	68.3	38%	0.381	37%	0.365	S	S	.	.			trans	58	96.2	167	0	0	0	0	0	114.8	N32	G30-N32 VanDerWaalsContact CA-N 3.33Å; G30-N32 PolarHBondContact O-N 3.16Å
31	Y	53	Low	77.6	Confident	158 Å²	158	71 Å²	71	62%	0.62	38%	0.381	S	S	*	.	S	Bend	trans	-45.9	4.7	130.9	-75	-38.3	0	0	0	116.1	K154 S176	Y31-K154 HydrophobicContact CD1-CB 4.22Å; Y31-K154 HydrophobicContact CD1-CD 3.24Å; Y31-K154 HydrophobicContact CD1-CG 4.13Å; Y31-K154 HydrophobicContact CE1-CB 3.44Å; Y31-K154 VanDerWaalsContact CE1-CB 3.44Å; Y31-K154 HydrophobicContact CE1-CD 3.37Å; Y31-K154 HydrophobicContact CE1-CG 3.72Å; Y31-K154 HydrophobicContact CG-CD 4.2Å; Y31-K154 PolarHBondContact O-NZ 3.25Å; Y31-S176 WeakPolarHBondContact CE1-OG 3.33Å
32	N	42.3	Very low	77.6	Confident	131 Å²	131	69.4 Å²	69.4	70%	0.701	37%	0.373	S	S	*	.	S	Bend	trans	-119.4	95.4	-178.5	-65.3	-26.6	0	0	0	109	G30 I34	G30-N32 VanDerWaalsContact CA-N 3.33Å; G30-N32 PolarHBondContact O-N 3.16Å; N32-I34 PolarHBondContact O-N 3.1Å
33	K	47.3	Very low	77.6	Confident	180 Å²	180	69.9 Å²	69.9	78%	0.783	38%	0.377	S	S	*	.			trans	32.8	64.5	152.1	-56.1	-177.1	-178.1	-179.6	0	117.7
34	I	49.1	Very low	77.6	Confident	61 Å²	61	65.1 Å²	65.1	31%	0.313	35%	0.348	S	S	.	.			trans	-86.5	110.7	155	-57.8	-175.4	0	0	0	108	S29 N32 N36 G37 E38 V206	S29-I34 VanDerWaalsContact OG-CD1 3.28Å; S29-I34 WeakPolarHBondContact OG-CD1 3.47Å; N32-I34 PolarHBondContact O-N 3.1Å; I34-N36 PolarHBondContact O-N 2.96Å; I34-G37 WeakPolarHBondContact CG2-O 2.86Å; I34-E38 HydrophobicContact CD1-CB 4.07Å; I34-V206 WeakPolarHBondContact O-CG2 3.32Å
35	V	53.2	Low	77.7	Confident	84 Å²	84	63.2 Å²	63.2	51%	0.509	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	123.2	173.8	-175.2	0	0	0	0	107.5
36	N	63.8	Low	77.8	Confident	59 Å²	59	58.3 Å²	58.3	32%	0.316	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	17.5	180	-44.8	-50.5	0	0	0	117.9	I34 T163 G164	I34-N36 PolarHBondContact O-N 2.96Å; N36-T163 HydrophobicContact CB-CG2 4.47Å; N36-T163 VanDerWaalsContact O-CG2 3.24Å; N36-T163 WeakPolarHBondContact O-CG2 3.31Å; N36-G164 WeakPolarHBondContact OD1-CA 3.39Å; N36-G164 PolarHBondContact OD1-N 3.31Å
37	G	71.6	Confident	78	Confident	15 Å²	15	57.3 Å²	57.3	16%	0.155	31%	0.31	C	S	.	.			trans	77	179.8	175.2	0	0	0	0	0	114.2	I34 Q174	I34-G37 WeakPolarHBondContact CG2-O 2.86Å; G37-Q174 WeakPolarHBondContact CA-O 3.42Å
38	E	85.1	Confident	78.3	Confident	32 Å²	32	51.5 Å²	51.5	15%	0.15	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	159.4	-178.9	66.4	-178.3	167.2	0	0	111.2	V28 S29 I34 A40 Q173 Q174	V28-E38 VanDerWaalsContact CA-OE1 3.23Å; V28-E38 WeakPolarHBondContact CA-OE1 3.47Å; S29-E38 WeakPolarHBondContact CB-OE2 3.15Å; S29-E38 PolarHBondContact N-OE1 3.34Å; S29-E38 PolarHBondContact N-OE2 3.37Å; S29-E38 PolarHBondContact OG-OE2 3.32Å; I34-E38 HydrophobicContact CD1-CB 4.07Å; E38-A40 PolarHBondContact O-N 3.27Å; E38-Q173 CarbonylContact O-C 3.39Å; E38-Q173 VanDerWaalsContact O-CA 3.26Å; E38-Q173 WeakPolarHBondContact O-CA 3.38Å; E38-Q173 PolarHBondContact O-OE1 3.08Å; E38-Q174 HydrophobicContact CG-CG 3.6Å; E38-Q174 PolarHBondContact N-O 3.31Å; E38-Q174 PolarHBondContact O-N 2.95Å; E38-Q174 PolarHBondContact OE1-NE2 3.47Å
39	N	90.8	Very high	78.9	Confident	94 Å²	94	49.2 Å²	49.2	50%	0.503	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	127.3	171.6	-70.8	-15.2	0	0	0	109.8	Q173	N39-Q173 PolarHBondContact OD1-NE2 3.39Å
40	A	93.5	Very high	80.1	Confident	6 Å²	6	46.3 Å²	46.3	5%	0.05	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-68.2	155.9	169.1	0	0	0	0	0	110.8	E38 S42 H90 L172 Q174	E38-A40 PolarHBondContact O-N 3.27Å; A40-S42 PolarHBondContact O-N 3.03Å; A40-H90 PolarHBondContact O-CE1 2.68Å; A40-L172 HydrophobicContact CB-CB 4.36Å; A40-L172 HydrophobicContact CB-CD2 4.2Å; A40-L172 HydrophobicContact CB-CG 4.12Å; A40-L172 WeakPolarHBondContact CB-O 3.28Å; A40-L172 PolarHBondContact N-O 3.23Å; A40-Q174 HydrophobicContact CB-CB 4.23Å; A40-Q174 HydrophobicContact CB-CG 4.22Å
41	V	96.1	Very high	82.2	Confident	57 Å²	57	44.5 Å²	44.5	35%	0.345	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-68.6	129.7	166.6	176.7	0	0	0	0	108	I24 Q27 G43 S44	I24-V41 HydrophobicContact CG2-CG1 3.74Å; Q27-V41 HydrophobicContact CB-CG2 3.86Å; Q27-V41 HydrophobicContact CG-CG2 3.86Å; V41-G43 PolarHBondContact O-N 3.28Å; V41-G43 VanDerWaalsContact O-N 3.13Å; V41-S44 WeakPolarHBondContact O-CB 3.47Å; V41-S44 PolarHBondContact O-N 3.03Å; V41-S44 PolarHBondContact O-OG 3.34Å
42	S	96.4	Very high	84.2	Confident	34 Å²	34	38.2 Å²	38.2	24%	0.238	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	120.9	-179.8	172.6	0	0	0	0	110.9	A40 E97 R136	A40-S42 PolarHBondContact O-N 3.03Å; S42-E97 PolarHBondContact OG-OE1 3.34Å; S42-R136 VanDerWaalsContact OG-CZ 3.32Å; S42-R136 PolarHBondContact OG-NH1 2.83Å; S42-R136 PolarHBondContact OG-NH2 2.89Å
43	G	96.4	Very high	86.8	Confident	10 Å²	10	34.2 Å²	34.2	10%	0.103	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	0.9	-177.9	0	0	0	0	0	116.7	V41 W45	V41-G43 PolarHBondContact O-N 3.28Å; V41-G43 VanDerWaalsContact O-N 3.13Å; G43-W45 VanDerWaalsContact C-N 3.26Å; G43-W45 PolarHBondContact O-N 3.05Å
44	S	97.8	Very high	88.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-75.8	-11.2	-176.6	70	0	0	0	0	115.5	P22 I24 V41 P46	P22-S44 WeakPolarHBondContact CB-O 3.39Å; I24-S44 VanDerWaalsContact O-CA 3.29Å; I24-S44 WeakPolarHBondContact O-CA 3.47Å; I24-S44 WeakPolarHBondContact O-CB 3.5Å; V41-S44 WeakPolarHBondContact O-CB 3.47Å; V41-S44 PolarHBondContact O-N 3.03Å; V41-S44 PolarHBondContact O-OG 3.34Å; S44-P46 VanDerWaalsContact C-CD 3.45Å; S44-P46 WeakPolarHBondContact O-CD 3.36Å
45	W	98.3	Very high	91	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.027	20%	0.198	C	C	.	.			trans	-120.9	70.1	176.5	-57.8	108.6	0	0	0	109.9	P26 V28 G43 W47 Q48 V156 T158 L172 V218 W225	P26-W45 HydrophobicContact CB-CD2 4.43Å; P26-W45 HydrophobicContact CB-CH2 3.79Å; P26-W45 HydrophobicContact CB-CZ2 3.32Å; P26-W45 HydrophobicContact CB-CZ3 4.48Å; P26-W45 HydrophobicContact CG-CH2 3.71Å; P26-W45 HydrophobicContact CG-CZ2 3.81Å; P26-W45 HydrophobicContact CG-CZ3 4.18Å; V28-W45 HydrophobicContact CG2-CZ2 4.04Å; G43-W45 VanDerWaalsContact C-N 3.26Å; G43-W45 PolarHBondContact O-N 3.05Å; W45-W47 AromaticContact CE3-CE2 3.9Å; W45-W47 HydrophobicContact CE3-CH2 4.2Å; W45-W47 AromaticContact CE3-CZ2 3.39Å; W45-W47 HydrophobicContact CE3-CZ2 3.39Å; W45-W47 HydrophobicContact CZ3-CH2 4.4Å; W45-W47 AromaticContact CZ3-CZ2 3.68Å; W45-W47 HydrophobicContact CZ3-CZ2 3.68Å; W45-W47 PolarHBondContact O-N 3Å; W45-W47 VanDerWaalsContact O-N 3.08Å; W45-Q48 HydrophobicContact CB-CB 4.2Å; W45-Q48 VanDerWaalsContact O-CB 3.23Å; W45-Q48 WeakPolarHBondContact O-CB 3.37Å; W45-Q48 PolarHBondContact O-N 2.88Å; W45-V156 HydrophobicContact CH2-CB 3.9Å; W45-V156 HydrophobicContact CH2-CG1 3.74Å; W45-V156 HydrophobicContact CH2-CG2 4.13Å; W45-V156 HydrophobicContact CZ2-CB 4.25Å; W45-V156 HydrophobicContact CZ2-CG1 3.58Å; W45-V156 HydrophobicContact CZ2-CG2 4.49Å; W45-T158 HydrophobicContact CB-CG2 4.48Å; W45-T158 VanDerWaalsContact CD1-CG2 3.48Å; W45-T158 HydrophobicContact CD2-CG2 3.75Å; W45-T158 HydrophobicContact CG-CG2 3.67Å; W45-T158 HydrophobicContact CZ2-CG2 4.32Å; W45-L172 HydrophobicContact CB-CD2 4.23Å; W45-V218 HydrophobicContact CE3-CG2 4.29Å; W45-V218 HydrophobicContact CH2-CG2 4.34Å; W45-V218 HydrophobicContact CZ3-CG2 3.7Å; W45-W225 HydrophobicContact CH2-CD2 4.26Å; W45-W225 HydrophobicContact CH2-CE3 4.17Å; W45-W225 AromaticContact CH2-CH2 3.64Å; W45-W225 HydrophobicContact CH2-CH2 3.64Å; W45-W225 AromaticContact CH2-CZ2 3.72Å; W45-W225 HydrophobicContact CH2-CZ2 3.72Å; W45-W225 AromaticContact CH2-CZ3 3.86Å; W45-W225 HydrophobicContact CH2-CZ3 3.86Å; W45-W225 AromaticContact CZ3-CD2 3.83Å; W45-W225 HydrophobicContact CZ3-CD2 3.83Å; W45-W225 AromaticContact CZ3-CE2 3.92Å; W45-W225 AromaticContact CZ3-CE3 3.92Å; W45-W225 HydrophobicContact CZ3-CE3 3.92Å; W45-W225 HydrophobicContact CZ3-CG 4.43Å; W45-W225 HydrophobicContact CZ3-CH2 4.2Å; W45-W225 HydrophobicContact CZ3-CZ2 4.11Å; W45-W225 HydrophobicContact CZ3-CZ3 4.1Å
46	P	98.4	Very high	92.9	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.013	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-10.2	-166	31.2	-39.3	0	0	0	114.3	P22 S44 R136 V137 S138	P22-P46 HydrophobicContact CB-CG 3.83Å; S44-P46 VanDerWaalsContact C-CD 3.45Å; S44-P46 WeakPolarHBondContact O-CD 3.36Å; P46-R136 VanDerWaalsContact CA-O 3.27Å; P46-R136 WeakPolarHBondContact CA-O 3.35Å; P46-R136 VanDerWaalsContact CB-C 3.41Å; P46-R136 WeakPolarHBondContact CB-O 3.44Å; P46-V137 WeakPolarHBondContact O-CA 3.36Å; P46-S138 CarbonylContact C-O 3.59Å; P46-S138 VanDerWaalsContact C-O 3.3Å; P46-S138 WeakPolarHBondContact CB-OG 3.31Å; P46-S138 WeakPolarHBondContact CG-OG 3.22Å; P46-S138 PolarHBondContact O-N 3.31Å; P46-S138 VanDerWaalsContact O-N 3.12Å
47	W	98.8	Very high	94.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-11.3	172.2	47.9	81.9	0	0	0	113.5	P22 W45 V49 S63 L64 S138 V140 V218 W225	P22-W47 HydrophobicContact CB-CZ3 4.35Å; P22-W47 HydrophobicContact CG-CH2 4.23Å; P22-W47 HydrophobicContact CG-CZ3 4.43Å; W45-W47 AromaticContact CE3-CE2 3.9Å; W45-W47 HydrophobicContact CE3-CH2 4.2Å; W45-W47 AromaticContact CE3-CZ2 3.39Å; W45-W47 HydrophobicContact CE3-CZ2 3.39Å; W45-W47 HydrophobicContact CZ3-CH2 4.4Å; W45-W47 AromaticContact CZ3-CZ2 3.68Å; W45-W47 HydrophobicContact CZ3-CZ2 3.68Å; W45-W47 PolarHBondContact O-N 3Å; W45-W47 VanDerWaalsContact O-N 3.08Å; W47-V49 WeakPolarHBondContact O-CG2 3.43Å; W47-V49 PolarHBondContact O-N 2.89Å; W47-S63 CarbonylContact O-C 3.53Å; W47-S63 WeakPolarHBondContact O-CA 3.45Å; W47-L64 HydrophobicContact CB-CB 4.36Å; W47-L64 PolarHBondContact O-N 2.77Å; W47-S138 WeakPolarHBondContact CA-O 3.44Å; W47-S138 WeakPolarHBondContact CB-O 3.09Å; W47-S138 PolarHBondContact N-O 3.06Å; W47-V140 HydrophobicContact CB-CB 3.81Å; W47-V140 HydrophobicContact CB-CG1 4.38Å; W47-V140 HydrophobicContact CD2-CB 3.66Å; W47-V140 HydrophobicContact CD2-CG2 3.94Å; W47-V140 HydrophobicContact CE3-CB 4.1Å; W47-V140 HydrophobicContact CE3-CG2 4.4Å; W47-V140 HydrophobicContact CG-CB 3.54Å; W47-V140 HydrophobicContact CG-CG1 4.4Å; W47-V140 HydrophobicContact CG-CG2 4.17Å; W47-V140 HydrophobicContact CZ2-CG2 4.29Å; W47-V218 HydrophobicContact CZ2-CG1 4.39Å; W47-V218 HydrophobicContact CZ2-CG2 4.39Å; W47-W225 HydrophobicContact CH2-CB 3.43Å; W47-W225 VanDerWaalsContact CH2-CB 3.43Å; W47-W225 AromaticContact CH2-CD1 3.74Å; W47-W225 AromaticContact CH2-CG 3.62Å; W47-W225 HydrophobicContact CH2-CG 3.62Å; W47-W225 HydrophobicContact CZ2-CB 3.63Å; W47-W225 AromaticContact CZ2-CG 3.89Å; W47-W225 HydrophobicContact CZ2-CG 3.89Å; W47-W225 HydrophobicContact CZ3-CB 4.4Å
48	Q	98.7	Very high	95.3	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.023	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	129.2	179.9	177.7	66.7	57.2	0	0	109.9	W45 T158 W160 L172 P216	W45-Q48 HydrophobicContact CB-CB 4.2Å; W45-Q48 VanDerWaalsContact O-CB 3.23Å; W45-Q48 WeakPolarHBondContact O-CB 3.37Å; W45-Q48 PolarHBondContact O-N 2.88Å; Q48-T158 PolarHBondContact OE1-O 3Å; Q48-T158 PolarHBondContact OE1-OG1 3.1Å; Q48-W160 HydrophobicContact CG-CH2 3.67Å; Q48-W160 HydrophobicContact CG-CZ3 3.61Å; Q48-L172 HydrophobicContact CB-CD2 4.33Å; Q48-L172 HydrophobicContact CG-CD1 3.85Å; Q48-L172 HydrophobicContact CG-CD2 4.06Å; Q48-P216 VanDerWaalsContact OE1-CD 3.27Å
49	V	98.6	Very high	95.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.1	175.7	-178.5	0	0	0	0	110	W47 L51 G61 G62 L64 V70 V85 L87	W47-V49 WeakPolarHBondContact O-CG2 3.43Å; W47-V49 PolarHBondContact O-N 2.89Å; V49-L51 HydrophobicContact CG1-CD2 4.05Å; V49-L51 HydrophobicContact CG1-CG 4.43Å; V49-G61 WeakPolarHBondContact O-CA 3.48Å; V49-G62 WeakPolarHBondContact CB-O 3.26Å; V49-G62 PolarHBondContact N-O 3.41Å; V49-G62 PolarHBondContact O-N 3.06Å; V49-G62 VanDerWaalsContact O-N 3.14Å; V49-L64 HydrophobicContact CG2-CB 4.38Å; V49-V70 HydrophobicContact CB-CG1 4.22Å; V49-V70 HydrophobicContact CG1-CG1 4.18Å; V49-V70 HydrophobicContact CG2-CG1 3.8Å; V49-V70 HydrophobicContact CG2-CG2 3.93Å; V49-V85 HydrophobicContact CG1-CB 4.37Å; V49-V85 HydrophobicContact CG1-CG1 3.74Å; V49-V85 HydrophobicContact CG1-CG2 4.36Å; V49-L87 HydrophobicContact CB-CD2 4.41Å; V49-L87 HydrophobicContact CG1-CD2 4.43Å; V49-L87 HydrophobicContact CG2-CD2 3.57Å
50	S	98	Very high	96	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.2	166.7	171.6	0	0	0	0	107.8	Q52 H58 I86 E89	S50-Q52 PolarHBondContact OG-NE2 2.79Å; S50-H58 PolarHBondContact OG-ND1 2.83Å; S50-I86 PolarHBondContact N-O 3.3Å; S50-I86 PolarHBondContact O-N 3.19Å; S50-E89 WeakPolarHBondContact CB-OE2 3.25Å; S50-E89 PolarHBondContact OG-OE2 2.88Å
51	L	98.3	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.6	174.6	-61.8	174.1	0	0	0	108.2	V49 H58 F59 C60 G61 T72 V78 R84 V85 L125	V49-L51 HydrophobicContact CG1-CD2 4.05Å; V49-L51 HydrophobicContact CG1-CG 4.43Å; L51-H58 WeakPolarHBondContact O-CA 3.47Å; L51-F59 HydrophobicContact CB-CE1 3.88Å; L51-F59 HydrophobicContact CB-CE2 4.26Å; L51-F59 HydrophobicContact CB-CZ 3.71Å; L51-F59 VanDerWaalsContact O-CD1 3.24Å; L51-F59 WeakPolarHBondContact O-CD1 3.23Å; L51-F59 WeakPolarHBondContact O-CE1 3.46Å; L51-F59 PolarHBondContact O-N 2.64Å; L51-C60 HydrophobicContact CB-CB 4.21Å; L51-C60 VanDerWaalsContact CB-O 3.32Å; L51-C60 WeakPolarHBondContact CB-O 3.16Å; L51-C60 HydrophobicContact CD1-CB 3.82Å; L51-C60 PolarHBondContact N-O 3.18Å; L51-G61 VanDerWaalsContact CD1-O 3.28Å; L51-G61 WeakPolarHBondContact CD1-O 3.41Å; L51-T72 HydrophobicContact CD1-CG2 4.07Å; L51-T72 WeakPolarHBondContact CD1-OG1 3.46Å; L51-V78 HydrophobicContact CD1-CG2 3.7Å; L51-R84 WeakPolarHBondContact CA-O 3.16Å; L51-V85 HydrophobicContact CD2-CG2 3.72Å; L51-L125 HydrophobicContact CD1-CD1 4.42Å; L51-L125 HydrophobicContact CD2-CD1 3.69Å
52	Q	96.8	Very high	96.3	Very high	26 Å²	26	24.8 Å²	24.8	12%	0.121	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.3	-175.8	-65.3	-175.8	4.2	0	0	111.5	S50 G56 F57 H58 H83 R84 I86 E89	S50-Q52 PolarHBondContact OG-NE2 2.79Å; Q52-G56 PolarHBondContact OE1-O 3.16Å; Q52-F57 CarbonylContact C-O 3.51Å; Q52-F57 VanDerWaalsContact CA-O 3.23Å; Q52-F57 WeakPolarHBondContact CA-O 3.47Å; Q52-H58 HydrophobicContact CG-CB 4.32Å; Q52-H83 CarbonylContact O-C 3.49Å; Q52-H83 VanDerWaalsContact O-CA 3.24Å; Q52-H83 WeakPolarHBondContact O-CA 3.29Å; Q52-R84 PolarHBondContact N-O 2.77Å; Q52-R84 PolarHBondContact O-N 3.43Å; Q52-I86 HydrophobicContact CB-CG1 4.29Å; Q52-I86 VanDerWaalsContact CD-CG1 3.47Å; Q52-I86 HydrophobicContact CG-CG1 3.8Å; Q52-E89 PolarHBondContact NE2-OE1 3.5Å; Q52-E89 PolarHBondContact NE2-OE2 3.13Å
53	D	95.9	Very high	96.4	Very high	46 Å²	46	23.1 Å²	23.1	25%	0.246	15%	0.148	C	C	.	.			trans	-81.8	-176.2	172.1	73.1	17.6	0	0	0	112.6	S55 G56 F57 F59 N82	D53-S55 PolarHBondContact O-N 2.83Å; D53-S55 VanDerWaalsContact O-N 3.15Å; D53-S55 WeakPolarHBondContact OD1-CA 3.46Å; D53-S55 WeakPolarHBondContact OD1-CB 3.42Å; D53-S55 PolarHBondContact OD1-N 2.94Å; D53-S55 PolarHBondContact OD1-OG 3.13Å; D53-G56 PolarHBondContact O-N 2.85Å; D53-G56 PolarHBondContact OD1-N 3.39Å; D53-F57 PolarHBondContact N-O 3.49Å; D53-F57 PolarHBondContact OD1-N 2.99Å; D53-F57 VanDerWaalsContact OD1-N 3.09Å; D53-F59 HydrophobicContact CB-CD1 4.45Å; D53-N82 CarbonylContact C-O 3.54Å
54	G	92.3	Very high	96.6	Very high	64 Å²	64	22.7 Å²	22.7	66%	0.66	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-18.7	-179.6	0	0	0	0	0	114.9	N82	G54-N82 PolarHBondContact N-O 2.84Å; G54-N82 VanDerWaalsContact N-O 3.14Å
55	S	93.2	Very high	96.6	Very high	99 Å²	99	23.4 Å²	23.4	69%	0.692	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.5	174.9	75.3	0	0	0	0	113.3	D53 F57	D53-S55 PolarHBondContact O-N 2.83Å; D53-S55 VanDerWaalsContact O-N 3.15Å; D53-S55 WeakPolarHBondContact OD1-CA 3.46Å; D53-S55 WeakPolarHBondContact OD1-CB 3.42Å; D53-S55 PolarHBondContact OD1-N 2.94Å; D53-S55 PolarHBondContact OD1-OG 3.13Å; S55-F57 VanDerWaalsContact C-N 3.34Å; S55-F57 WeakPolarHBondContact OG-CB 3.38Å; S55-F57 PolarHBondContact OG-N 3.08Å
56	G	91.6	Very high	96.6	Very high	36 Å²	36	24.8 Å²	24.8	37%	0.371	16%	0.155	S	C	.	.			trans	83.7	9.3	-170.6	0	0	0	0	0	113.2	Q52 D53 H58	Q52-G56 PolarHBondContact OE1-O 3.16Å; D53-G56 PolarHBondContact O-N 2.85Å; D53-G56 PolarHBondContact OD1-N 3.39Å; G56-H58 PolarHBondContact O-N 3.34Å
57	F	92.1	Very high	96.6	Very high	125 Å²	125	28.4 Å²	28.4	55%	0.548	17%	0.172	S	C	.	.			trans	-75.5	121.4	178.3	174.2	-98.5	0	0	0	110.5	Q52 D53 S55 F59	Q52-F57 CarbonylContact C-O 3.51Å; Q52-F57 VanDerWaalsContact CA-O 3.23Å; Q52-F57 WeakPolarHBondContact CA-O 3.47Å; D53-F57 PolarHBondContact N-O 3.49Å; D53-F57 PolarHBondContact OD1-N 2.99Å; D53-F57 VanDerWaalsContact OD1-N 3.09Å; S55-F57 VanDerWaalsContact C-N 3.34Å; S55-F57 WeakPolarHBondContact OG-CB 3.38Å; S55-F57 PolarHBondContact OG-N 3.08Å; F57-F59 HydrophobicContact CD1-CB 4.08Å; F57-F59 HydrophobicContact CE1-CB 3.9Å; F57-F59 PolarHBondContact O-N 3.41Å
58	H	93.9	Very high	96.6	Very high	13 Å²	13	33 Å²	33	6%	0.06	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	121.2	172.1	170.9	95	0	0	0	110.9	S50 L51 Q52 G56 C60 R92 W160 G211	S50-H58 PolarHBondContact OG-ND1 2.83Å; L51-H58 WeakPolarHBondContact O-CA 3.47Å; Q52-H58 HydrophobicContact CG-CB 4.32Å; G56-H58 PolarHBondContact O-N 3.34Å; H58-C60 PolarHBondContact CE1-O 2.74Å; H58-C60 PolarHBondContact ND1-O 3.32Å; H58-R92 VanDerWaalsContact CB-NH1 3.31Å; H58-R92 PolarHBondContact CD2-NH1 3.08Å; H58-R92 VanDerWaalsContact CG-NH1 3.3Å; H58-W160 AromaticContact CE1-CE3 3.68Å; H58-G211 PolarHBondContact NE2-O 3.23Å
59	F	94.1	Very high	96.6	Very high	46 Å²	46	33.3 Å²	33.3	20%	0.202	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-22.7	-179.3	69.4	-90.2	0	0	0	114.1	L51 D53 F57 C76 V78 H83	L51-F59 HydrophobicContact CB-CE1 3.88Å; L51-F59 HydrophobicContact CB-CE2 4.26Å; L51-F59 HydrophobicContact CB-CZ 3.71Å; L51-F59 VanDerWaalsContact O-CD1 3.24Å; L51-F59 WeakPolarHBondContact O-CD1 3.23Å; L51-F59 WeakPolarHBondContact O-CE1 3.46Å; L51-F59 PolarHBondContact O-N 2.64Å; D53-F59 HydrophobicContact CB-CD1 4.45Å; F57-F59 HydrophobicContact CD1-CB 4.08Å; F57-F59 HydrophobicContact CE1-CB 3.9Å; F57-F59 PolarHBondContact O-N 3.41Å; F59-C76 HydrophobicContact CE2-CB 4.24Å; F59-C76 WeakPolarHBondContact CE2-O 3.38Å; F59-V78 HydrophobicContact CE2-CG2 4.38Å; F59-V78 HydrophobicContact CZ-CG2 4.28Å; F59-H83 HydrophobicContact CE1-CB 4.17Å; F59-H83 AromaticContact CE1-CD2 3.97Å; F59-H83 AromaticContact CE1-CG 3.73Å; F59-H83 AromaticContact CE1-ND1 3.75Å; F59-H83 HydrophobicContact CZ-CB 4.25Å; F59-H83 AromaticContact CZ-CE1 3.69Å; F59-H83 AromaticContact CZ-CG 3.74Å; F59-H83 AromaticContact CZ-ND1 3.31Å; F59-H83 VanDerWaalsContact CZ-ND1 3.31Å; F59-H83 WeakPolarHBondContact CZ-ND1 3.24Å
60	C	96.8	Very high	96.6	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.041	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	162.6	177.6	-88.7	0	0	0	0	111.7	L51 H58 C76 S213	L51-C60 HydrophobicContact CB-CB 4.21Å; L51-C60 VanDerWaalsContact CB-O 3.32Å; L51-C60 WeakPolarHBondContact CB-O 3.16Å; L51-C60 HydrophobicContact CD1-CB 3.82Å; L51-C60 PolarHBondContact N-O 3.18Å; H58-C60 PolarHBondContact CE1-O 2.74Å; H58-C60 PolarHBondContact ND1-O 3.32Å; C60-C76 HydrophobicContact CB-CB 3.79Å; C60-C76 WeakPolarHBondContact CB-SG 3.41Å; C60-C76 WeakPolarHBondContact SG-CB 3.49Å; C60-C76 CovalentContact SG-SG 2.04Å; C60-C76 PolarHBondContact SG-SG 3.16Å; C60-S213 CarbonylContact C-O 3.59Å; C60-S213 WeakPolarHBondContact CB-O 3.31Å; C60-S213 VanDerWaalsContact SG-CB 3.59Å
61	G	98	Very high	96.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	178.3	166.7	0	0	0	0	0	113.9	V49 L51 T72 S213 G214	V49-G61 WeakPolarHBondContact O-CA 3.48Å; L51-G61 VanDerWaalsContact CD1-O 3.28Å; L51-G61 WeakPolarHBondContact CD1-O 3.41Å; G61-T72 PolarHBondContact O-OG1 2.89Å; G61-S213 PolarHBondContact N-O 3.34Å; G61-G214 CarbonylContact C-O 3.49Å; G61-G214 CarbonylContact O-C 3.52Å
62	G	98.7	Very high	96.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	177.8	172.3	0	0	0	0	0	110.7	V49 V71 G214	V49-G62 WeakPolarHBondContact CB-O 3.26Å; V49-G62 PolarHBondContact N-O 3.41Å; V49-G62 PolarHBondContact O-N 3.06Å; V49-G62 VanDerWaalsContact O-N 3.14Å; G62-V71 CarbonylContact C-O 3.49Å; G62-V71 VanDerWaalsContact CA-O 3.25Å; G62-V71 WeakPolarHBondContact CA-O 3.32Å; G62-G214 VanDerWaalsContact CA-O 3.26Å; G62-G214 WeakPolarHBondContact CA-O 3.23Å
63	S	98.9	Very high	96.8	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	127.8	173.6	-52.7	0	0	0	0	111	W47 I65 V70 V71 P216	W47-S63 CarbonylContact O-C 3.53Å; W47-S63 WeakPolarHBondContact O-CA 3.45Å; S63-I65 PolarHBondContact O-N 2.76Å; S63-V70 CarbonylContact O-C 3.53Å; S63-V70 VanDerWaalsContact O-CA 3.28Å; S63-V70 WeakPolarHBondContact O-CA 3.48Å; S63-V71 PolarHBondContact N-O 3.31Å; S63-V71 PolarHBondContact O-N 2.86Å; S63-P216 WeakPolarHBondContact OG-CB 3.32Å
64	L	98.9	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	123.5	169.7	-168.3	70.1	0	0	0	109.1	W47 V49 N66 V70 L87 L127 A131 F133 V137 P139 V140	W47-L64 HydrophobicContact CB-CB 4.36Å; W47-L64 PolarHBondContact O-N 2.77Å; V49-L64 HydrophobicContact CG2-CB 4.38Å; L64-N66 WeakPolarHBondContact CD1-O 3.38Å; L64-N66 VanDerWaalsContact CG-O 3.31Å; L64-N66 WeakPolarHBondContact CG-O 3.36Å; L64-V70 HydrophobicContact CD1-CG2 3.78Å; L64-L87 HydrophobicContact CB-CD2 4.38Å; L64-L87 HydrophobicContact CD1-CD1 4.28Å; L64-L87 HydrophobicContact CD1-CD2 4.21Å; L64-L87 HydrophobicContact CD2-CD1 4.38Å; L64-L87 HydrophobicContact CD2-CD2 4.41Å; L64-L127 HydrophobicContact CD1-CD1 4.25Å; L64-A131 HydrophobicContact CD1-CB 4.23Å; L64-A131 HydrophobicContact CD2-CB 4.1Å; L64-F133 HydrophobicContact CD2-CD1 4.49Å; L64-F133 HydrophobicContact CD2-CE1 3.97Å; L64-V137 HydrophobicContact CD2-CG1 3.8Å; L64-P139 CarbonylContact O-C 3.46Å; L64-P139 VanDerWaalsContact O-CA 3.24Å; L64-P139 WeakPolarHBondContact O-CA 3.24Å; L64-V140 PolarHBondContact O-N 2.92Å
65	I	98.8	Very high	97.2	Very high	15 Å²	15	29.3 Å²	29.3	8%	0.077	15%	0.154	C	C	.	.			trans	-112.3	-18.8	-176.6	58.6	167.1	0	0	0	112.7	S63 W69 V71 L124 P139 V140 L142 I256 L260	S63-I65 PolarHBondContact O-N 2.76Å; I65-W69 HydrophobicContact CD1-CB 3.93Å; I65-W69 HydrophobicContact CG1-CB 3.68Å; I65-W69 VanDerWaalsContact CG1-O 3.25Å; I65-W69 WeakPolarHBondContact CG1-O 3.48Å; I65-W69 PolarHBondContact N-O 3.13Å; I65-V71 HydrophobicContact CG2-CB 4.3Å; I65-V71 HydrophobicContact CG2-CG1 3.67Å; I65-L124 HydrophobicContact CD1-CD2 3.85Å; I65-P139 VanDerWaalsContact C-CB 3.44Å; I65-P139 WeakPolarHBondContact O-CB 3.28Å; I65-V140 HydrophobicContact CG2-CG1 4.1Å; I65-L142 HydrophobicContact CB-CD1 4.5Å; I65-L142 HydrophobicContact CB-CD2 4.46Å; I65-L142 HydrophobicContact CB-CG 4.46Å; I65-L142 HydrophobicContact CD1-CD1 4.32Å; I65-L142 HydrophobicContact CG2-CD2 3.74Å; I65-L142 HydrophobicContact CG2-CG 4.25Å; I65-I256 HydrophobicContact CD1-CG2 4.17Å; I65-L260 HydrophobicContact CD1-CD1 4.17Å; I65-L260 HydrophobicContact CD1-CD2 4.02Å
66	N	98.4	Very high	97.5	Very high	36 Å²	36	25 Å²	25	19%	0.193	12%	0.124	C	C	.	.	S	Bend	trans	-160.7	-172	162.1	61.8	40.4	0	0	0	108.3	L64 Y68 W69	L64-N66 WeakPolarHBondContact CD1-O 3.38Å; L64-N66 VanDerWaalsContact CG-O 3.31Å; L64-N66 WeakPolarHBondContact CG-O 3.36Å; N66-Y68 PolarHBondContact O-N 2.79Å; N66-Y68 PolarHBondContact OD1-N 3.01Å; N66-W69 PolarHBondContact N-O 2.89Å; N66-W69 VanDerWaalsContact OD1-CB 3.29Å; N66-W69 WeakPolarHBondContact OD1-CB 3.47Å; N66-W69 PolarHBondContact OD1-N 2.82Å
67	E	98.4	Very high	97.8	Very high	79 Å²	79	32.6 Å²	32.6	37%	0.369	14%	0.142	S	C	.	.	S	Bend	trans	-65.8	-21.8	-176.3	67.6	-81.9	-168.3	0	0	114	P130 A131 F133	E67-P130 HydrophobicContact CB-CB 4.12Å; E67-P130 HydrophobicContact CG-CB 4.01Å; E67-P130 CarbonylContact O-C 3.57Å; E67-P130 VanDerWaalsContact O-CA 3.3Å; E67-P130 WeakPolarHBondContact O-CA 3.42Å; E67-A131 PolarHBondContact O-N 3.17Å; E67-F133 HydrophobicContact CB-CE1 3.89Å; E67-F133 HydrophobicContact CB-CE2 4.4Å; E67-F133 HydrophobicContact CB-CZ 3.68Å
68	Y	98.7	Very high	98	Very high	96 Å²	96	27.3 Å²	27.3	38%	0.376	12%	0.12	S	C	.	.	S	Bend	trans	-108.9	-12.9	-178.9	-74.8	-75.5	0	0	0	114.3	N66 R126 L127 P130	N66-Y68 PolarHBondContact O-N 2.79Å; N66-Y68 PolarHBondContact OD1-N 3.01Å; Y68-R126 CarbonylContact O-C 3.6Å; Y68-R126 WeakPolarHBondContact O-CA 3.25Å; Y68-L127 WeakPolarHBondContact O-CG 3.44Å; Y68-L127 PolarHBondContact O-N 2.79Å; Y68-P130 HydrophobicContact CD1-CB 4.29Å; Y68-P130 HydrophobicContact CE1-CB 3.78Å; Y68-P130 HydrophobicContact CE1-CG 4.06Å; Y68-P130 HydrophobicContact CE2-CB 4.01Å
69	W	98.9	Very high	98.2	Very high	11 Å²	11	28.3 Å²	28.3	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.1	-165.4	-68.1	93.6	0	0	0	112.4	I65 N66 I108 L124 L125 R126 L260 N263	I65-W69 HydrophobicContact CD1-CB 3.93Å; I65-W69 HydrophobicContact CG1-CB 3.68Å; I65-W69 VanDerWaalsContact CG1-O 3.25Å; I65-W69 WeakPolarHBondContact CG1-O 3.48Å; I65-W69 PolarHBondContact N-O 3.13Å; N66-W69 PolarHBondContact N-O 2.89Å; N66-W69 VanDerWaalsContact OD1-CB 3.29Å; N66-W69 WeakPolarHBondContact OD1-CB 3.47Å; N66-W69 PolarHBondContact OD1-N 2.82Å; W69-I108 HydrophobicContact CH2-CD1 3.8Å; W69-I108 HydrophobicContact CZ3-CD1 4.07Å; W69-L124 HydrophobicContact CE3-CB 3.95Å; W69-L124 HydrophobicContact CZ3-CB 3.88Å; W69-L125 WeakPolarHBondContact CA-O 3.38Å; W69-R126 HydrophobicContact CD2-CB 4.41Å; W69-R126 HydrophobicContact CD2-CG 4.47Å; W69-R126 HydrophobicContact CE3-CB 4.06Å; W69-R126 HydrophobicContact CH2-CB 3.78Å; W69-R126 HydrophobicContact CH2-CG 4.14Å; W69-R126 HydrophobicContact CZ2-CB 4.11Å; W69-R126 HydrophobicContact CZ2-CG 3.95Å; W69-R126 HydrophobicContact CZ3-CB 3.74Å; W69-R126 HydrophobicContact CZ3-CG 4.45Å; W69-L260 HydrophobicContact CB-CD1 4.4Å; W69-L260 HydrophobicContact CD2-CD1 3.76Å; W69-L260 HydrophobicContact CD2-CG 4.06Å; W69-L260 HydrophobicContact CE3-CD1 4.02Å; W69-L260 HydrophobicContact CG-CD1 3.95Å; W69-L260 HydrophobicContact CG-CD2 4.48Å; W69-L260 HydrophobicContact CG-CG 3.94Å; W69-N263 HydrophobicContact CH2-CB 3.76Å; W69-N263 HydrophobicContact CZ2-CB 3.72Å
70	V	98.9	Very high	98.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.6	169.2	171.7	0	0	0	0	108.6	V49 S63 L64 V85 L125 L127	V49-V70 HydrophobicContact CB-CG1 4.22Å; V49-V70 HydrophobicContact CG1-CG1 4.18Å; V49-V70 HydrophobicContact CG2-CG1 3.8Å; V49-V70 HydrophobicContact CG2-CG2 3.93Å; S63-V70 CarbonylContact O-C 3.53Å; S63-V70 VanDerWaalsContact O-CA 3.28Å; S63-V70 WeakPolarHBondContact O-CA 3.48Å; L64-V70 HydrophobicContact CD1-CG2 3.78Å; V70-V85 HydrophobicContact CG2-CG1 4.04Å; V70-V85 HydrophobicContact CG2-CG2 4.47Å; V70-L125 HydrophobicContact CB-CB 4.24Å; V70-L125 HydrophobicContact CB-CD1 4.5Å; V70-L125 HydrophobicContact CG1-CD1 4.25Å; V70-L125 PolarHBondContact N-O 2.8Å; V70-L125 PolarHBondContact O-N 2.74Å; V70-L127 HydrophobicContact CG2-CD2 4.11Å
71	V	98.9	Very high	98.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.4	168.9	68.4	0	0	0	0	110.2	G62 S63 I65 I122 L124 L227 I230	G62-V71 CarbonylContact C-O 3.49Å; G62-V71 VanDerWaalsContact CA-O 3.25Å; G62-V71 WeakPolarHBondContact CA-O 3.32Å; S63-V71 PolarHBondContact N-O 3.31Å; S63-V71 PolarHBondContact O-N 2.86Å; I65-V71 HydrophobicContact CG2-CB 4.3Å; I65-V71 HydrophobicContact CG2-CG1 3.67Å; V71-I122 HydrophobicContact CG2-CD1 3.69Å; V71-I122 HydrophobicContact CG2-CG1 3.68Å; V71-L124 HydrophobicContact CB-CD2 3.82Å; V71-L124 HydrophobicContact CG2-CD2 3.87Å; V71-L227 HydrophobicContact CG1-CD2 3.53Å; V71-I230 HydrophobicContact CG2-CD1 3.51Å; V71-I230 HydrophobicContact CG2-CG1 4.37Å
72	T	98.9	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	-180	176.7	-172	0	0	0	0	109.9	L51 G61 V78 I122 T123 L125 G214	L51-T72 HydrophobicContact CD1-CG2 4.07Å; L51-T72 WeakPolarHBondContact CD1-OG1 3.46Å; G61-T72 PolarHBondContact O-OG1 2.89Å; T72-V78 HydrophobicContact CG2-CG2 4.09Å; T72-I122 WeakPolarHBondContact O-CA 3.45Å; T72-T123 PolarHBondContact N-O 2.9Å; T72-T123 PolarHBondContact O-N 3.25Å; T72-L125 HydrophobicContact CG2-CD1 3.96Å; T72-L125 HydrophobicContact CG2-CD2 4.39Å; T72-L125 HydrophobicContact CG2-CG 4.09Å; T72-G214 WeakPolarHBondContact OG1-CA 2.98Å
73	A	98.8	Very high	98.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.			trans	-78.7	145.6	175.4	0	0	0	0	0	110.9	C76 I230	A73-C76 WeakPolarHBondContact O-CB 3.04Å; A73-C76 PolarHBondContact O-N 3.16Å; A73-I230 HydrophobicContact CB-CG2 4.29Å
74	A	98.8	Very high	98.2	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.033	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-68.5	-35.1	177.9	0	0	0	0	0	112.7	C76 R77 T109 F113 D121 T123	A74-C76 PolarHBondContact O-N 2.97Å; A74-C76 VanDerWaalsContact O-N 3.12Å; A74-R77 PolarHBondContact O-N 3.29Å; A74-T109 HydrophobicContact CB-CG2 3.63Å; A74-F113 HydrophobicContact CB-CB 4.23Å; A74-F113 HydrophobicContact CB-CD1 3.65Å; A74-F113 HydrophobicContact CB-CD2 3.58Å; A74-F113 HydrophobicContact CB-CE1 3.81Å; A74-F113 HydrophobicContact CB-CE2 3.75Å; A74-F113 HydrophobicContact CB-CG 3.53Å; A74-F113 HydrophobicContact CB-CZ 3.86Å; A74-D121 WeakPolarHBondContact CA-OD1 3.33Å; A74-D121 WeakPolarHBondContact CB-OD1 3.32Å; A74-D121 PolarHBondContact N-OD1 2Å; A74-T123 VanDerWaalsContact CA-OG1 3.25Å; A74-T123 WeakPolarHBondContact CA-OG1 3.08Å; A74-T123 WeakPolarHBondContact CB-OG1 3.47Å
75	H	98	Very high	98.2	Very high	48 Å²	48	45.2 Å²	45.2	22%	0.222	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-65.4	-14.1	178.5	80.5	-98.1	0	0	0	113.4	R77 F113 L118 D121 S213 S232	H75-R77 PolarHBondContact O-N 3.35Å; H75-F113 HydrophobicContact CB-CZ 4.06Å; H75-L118 HydrophobicContact CB-CD2 3.95Å; H75-D121 IonicContact CE1-OD2 3.89Å; H75-D121 IonicContact CG-OD1 2.79Å; H75-D121 IonicContact CG-OD2 2.77Å; H75-D121 PolarHBondContact N-OD1 3Å; H75-D121 IonicContact ND1-OD1 3Å; H75-D121 PolarHBondContact ND1-OD1 3.06Å; H75-D121 IonicContact ND1-OD2 3.85Å; H75-D121 PolarHBondContact ND1-OD2 3.08Å; H75-S213 PolarHBondContact CE1-OG 3.41Å; H75-S213 WeakPolarHBondContact NE2-CB 3.31Å; H75-S213 PolarHBondContact NE2-OG 2.96Å; H75-S232 PolarHBondContact CE1-O 3.15Å
76	C	98.1	Very high	98.2	Very high	10 Å²	10	44.7 Å²	44.7	7%	0.068	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-66.1	-15.6	169.6	-69.9	0	0	0	0	112.9	F59 C60 A73 A74 V78	F59-C76 HydrophobicContact CE2-CB 4.24Å; F59-C76 WeakPolarHBondContact CE2-O 3.38Å; C60-C76 HydrophobicContact CB-CB 3.79Å; C60-C76 WeakPolarHBondContact CB-SG 3.41Å; C60-C76 WeakPolarHBondContact SG-CB 3.49Å; C60-C76 CovalentContact SG-SG 2.04Å; C60-C76 PolarHBondContact SG-SG 3.16Å; A73-C76 WeakPolarHBondContact O-CB 3.04Å; A73-C76 PolarHBondContact O-N 3.16Å; A74-C76 PolarHBondContact O-N 2.97Å; A74-C76 VanDerWaalsContact O-N 3.12Å; C76-V78 VanDerWaalsContact C-N 3.29Å; C76-V78 HydrophobicContact CB-CG2 4.08Å; C76-V78 PolarHBondContact O-N 3.34Å
77	R	97.9	Very high	98.2	Very high	195 Å²	195	43 Å²	43	74%	0.736	21%	0.207	S	C	*	.			trans	49.1	48.6	173	-64.1	177	-179.5	-166	-0.3	112.9	A74 H75 S79	A74-R77 PolarHBondContact O-N 3.29Å; H75-R77 PolarHBondContact O-N 3.35Å; R77-S79 PolarHBondContact O-N 2.87Å
78	V	98.3	Very high	98.2	Very high	14 Å²	14	39.5 Å²	39.5	9%	0.085	19%	0.193	C	C	.	.			trans	-65.5	122.2	-175.6	-175.5	0	0	0	0	110.4	L51 F59 T72 C76 H83 I104 L125	L51-V78 HydrophobicContact CD1-CG2 3.7Å; F59-V78 HydrophobicContact CE2-CG2 4.38Å; F59-V78 HydrophobicContact CZ-CG2 4.28Å; T72-V78 HydrophobicContact CG2-CG2 4.09Å; C76-V78 VanDerWaalsContact C-N 3.29Å; C76-V78 HydrophobicContact CB-CG2 4.08Å; C76-V78 PolarHBondContact O-N 3.34Å; V78-H83 WeakPolarHBondContact CA-ND1 3.48Å; V78-H83 HydrophobicContact CG1-CB 4.04Å; V78-I104 HydrophobicContact CG1-CD1 3.42Å; V78-I104 VanDerWaalsContact CG1-CD1 3.42Å; V78-L125 HydrophobicContact CB-CD1 4.46Å; V78-L125 HydrophobicContact CB-CD2 3.84Å; V78-L125 HydrophobicContact CG1-CD1 4.02Å; V78-L125 HydrophobicContact CG1-CD2 3.82Å; V78-L125 HydrophobicContact CG2-CD1 4.28Å; V78-L125 HydrophobicContact CG2-CD2 4.29Å
79	S	97.7	Very high	98.1	Very high	33 Å²	33	35.6 Å²	35.6	23%	0.231	18%	0.178	C	C	.	.			trans	-99.6	120.6	175.3	173.8	0	0	0	0	110.3	R77 S81 N82 H83	R77-S79 PolarHBondContact O-N 2.87Å; S79-S81 PolarHBondContact O-N 3.42Å; S79-S81 PolarHBondContact OG-OG 3.24Å; S79-N82 PolarHBondContact O-N 2.96Å; S79-N82 VanDerWaalsContact O-N 3.17Å; S79-H83 PolarHBondContact N-ND1 3.23Å; S79-H83 WeakPolarHBondContact O-CB 3.42Å; S79-H83 PolarHBondContact O-N 3.44Å
80	P	97.4	Very high	97.9	Very high	51 Å²	51	36.1 Å²	36.1	33%	0.331	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.7	179.1	-28.6	36.3	0	0	0	115.1	I104 A107	P80-I104 HydrophobicContact CB-CB 4.19Å; P80-I104 HydrophobicContact CB-CG2 4.02Å; P80-I104 WeakPolarHBondContact CB-O 3.38Å; P80-I104 HydrophobicContact CG-CG2 4.06Å; P80-A107 HydrophobicContact CG-CB 3.94Å
81	S	96.3	Very high	97.7	Very high	98 Å²	98	36.7 Å²	36.7	69%	0.685	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-24.4	-178.9	63.6	0	0	0	0	113.7	S79	S79-S81 PolarHBondContact O-N 3.42Å; S79-S81 PolarHBondContact OG-OG 3.24Å
82	N	96.5	Very high	97.3	Very high	96 Å²	96	39.6 Å²	39.6	51%	0.513	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-20.4	-167.4	-58.4	-16.7	0	0	0	112.9	D53 G54 S79	D53-N82 CarbonylContact C-O 3.54Å; G54-N82 PolarHBondContact N-O 2.84Å; G54-N82 VanDerWaalsContact N-O 3.14Å; S79-N82 PolarHBondContact O-N 2.96Å; S79-N82 VanDerWaalsContact O-N 3.17Å
83	H	98.4	Very high	96.8	Very high	35 Å²	35	45.1 Å²	45.1	16%	0.162	22%	0.221	C	C	.	.			trans	-117.6	158.1	-172.3	-56.3	161.1	0	0	0	112.2	Q52 F59 V78 S79 I104	Q52-H83 CarbonylContact O-C 3.49Å; Q52-H83 VanDerWaalsContact O-CA 3.24Å; Q52-H83 WeakPolarHBondContact O-CA 3.29Å; F59-H83 HydrophobicContact CE1-CB 4.17Å; F59-H83 AromaticContact CE1-CD2 3.97Å; F59-H83 AromaticContact CE1-CG 3.73Å; F59-H83 AromaticContact CE1-ND1 3.75Å; F59-H83 HydrophobicContact CZ-CB 4.25Å; F59-H83 AromaticContact CZ-CE1 3.69Å; F59-H83 AromaticContact CZ-CG 3.74Å; F59-H83 AromaticContact CZ-ND1 3.31Å; F59-H83 VanDerWaalsContact CZ-ND1 3.31Å; F59-H83 WeakPolarHBondContact CZ-ND1 3.24Å; V78-H83 WeakPolarHBondContact CA-ND1 3.48Å; V78-H83 HydrophobicContact CG1-CB 4.04Å; S79-H83 PolarHBondContact N-ND1 3.23Å; S79-H83 WeakPolarHBondContact O-CB 3.42Å; S79-H83 PolarHBondContact O-N 3.44Å; H83-I104 HydrophobicContact CB-CD1 4.49Å
84	R	98.2	Very high	96	Very high	128 Å²	128	51 Å²	51	48%	0.483	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	152	-177.9	-60.1	-179.4	-179.5	-169.2	0.6	110.6	L51 Q52 I86 V101	L51-R84 WeakPolarHBondContact CA-O 3.16Å; Q52-R84 PolarHBondContact N-O 2.77Å; Q52-R84 PolarHBondContact O-N 3.43Å; R84-I86 HydrophobicContact CB-CD1 4.26Å; R84-V101 HydrophobicContact CB-CG1 4.39Å
85	V	98.7	Very high	94.9	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	122.8	171.7	160.7	0	0	0	0	108.3	V49 L51 V70 L87 K102 I104 L125 L127	V49-V85 HydrophobicContact CG1-CB 4.37Å; V49-V85 HydrophobicContact CG1-CG1 3.74Å; V49-V85 HydrophobicContact CG1-CG2 4.36Å; L51-V85 HydrophobicContact CD2-CG2 3.72Å; V70-V85 HydrophobicContact CG2-CG1 4.04Å; V70-V85 HydrophobicContact CG2-CG2 4.47Å; V85-L87 HydrophobicContact CG1-CD1 4.45Å; V85-L87 HydrophobicContact CG1-CD2 3.87Å; V85-L87 HydrophobicContact CG1-CG 3.94Å; V85-K102 HydrophobicContact CB-CB 4.12Å; V85-K102 HydrophobicContact CG1-CB 4.23Å; V85-K102 PolarHBondContact N-O 2.87Å; V85-K102 PolarHBondContact O-N 3.19Å; V85-I104 HydrophobicContact CG2-CD1 4.14Å; V85-I104 HydrophobicContact CG2-CG1 3.98Å; V85-L125 HydrophobicContact CG2-CD1 4.16Å; V85-L127 HydrophobicContact CB-CD2 3.87Å; V85-L127 HydrophobicContact CG1-CD2 3.81Å; V85-L127 HydrophobicContact CG2-CD2 3.78Å
86	I	98.3	Very high	94.3	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127	175.1	-43.3	-59.4	0	0	0	109.2	S50 Q52 R84 E89 I99 Q100 V101	S50-I86 PolarHBondContact N-O 3.3Å; S50-I86 PolarHBondContact O-N 3.19Å; Q52-I86 HydrophobicContact CB-CG1 4.29Å; Q52-I86 VanDerWaalsContact CD-CG1 3.47Å; Q52-I86 HydrophobicContact CG-CG1 3.8Å; R84-I86 HydrophobicContact CB-CD1 4.26Å; I86-E89 HydrophobicContact CG2-CB 3.98Å; I86-I99 HydrophobicContact CG2-CB 4.31Å; I86-I99 HydrophobicContact CG2-CD1 4.1Å; I86-Q100 WeakPolarHBondContact CA-O 3.5Å; I86-V101 HydrophobicContact CD1-CB 4.19Å; I86-V101 HydrophobicContact CD1-CG1 3.81Å; I86-V101 HydrophobicContact CD1-CG2 3.92Å
87	L	98.6	Very high	94	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	143.8	-178	-54.8	170.2	0	0	0	110.7	V49 L64 V85 E89 I99 Q100 K102 A131 V137	V49-L87 HydrophobicContact CB-CD2 4.41Å; V49-L87 HydrophobicContact CG1-CD2 4.43Å; V49-L87 HydrophobicContact CG2-CD2 3.57Å; L64-L87 HydrophobicContact CB-CD2 4.38Å; L64-L87 HydrophobicContact CD1-CD1 4.28Å; L64-L87 HydrophobicContact CD1-CD2 4.21Å; L64-L87 HydrophobicContact CD2-CD1 4.38Å; L64-L87 HydrophobicContact CD2-CD2 4.41Å; V85-L87 HydrophobicContact CG1-CD1 4.45Å; V85-L87 HydrophobicContact CG1-CD2 3.87Å; V85-L87 HydrophobicContact CG1-CG 3.94Å; L87-E89 VanDerWaalsContact C-N 3.28Å; L87-E89 PolarHBondContact O-N 2.84Å; L87-I99 WeakPolarHBondContact O-CA 3.43Å; L87-Q100 HydrophobicContact CB-CB 4.24Å; L87-Q100 PolarHBondContact N-O 2.86Å; L87-Q100 PolarHBondContact O-N 2.95Å; L87-K102 HydrophobicContact CD1-CG 4.21Å; L87-A131 HydrophobicContact CD1-CB 3.52Å; L87-V137 HydrophobicContact CB-CG1 4.07Å; L87-V137 HydrophobicContact CB-CG2 3.96Å; L87-V137 HydrophobicContact CD1-CG1 4.03Å
88	G	97.7	Very high	93.8	Very high	7 Å²	7	55.3 Å²	55.3	7%	0.072	30%	0.295	C	S	.	.	S	Bend	trans	77.7	8.5	177.2	0	0	0	0	0	115	R136	G88-R136 WeakPolarHBondContact CA-O 3.29Å
89	E	96.6	Very high	93.7	Very high	13 Å²	13	56.6 Å²	56.6	6%	0.061	30%	0.301	C	S	.	.			trans	-76.8	137.5	177.1	-174.5	173.8	-126	0	0	110.8	S50 Q52 I86 L87 R92 I99 W160	S50-E89 WeakPolarHBondContact CB-OE2 3.25Å; S50-E89 PolarHBondContact OG-OE2 2.88Å; Q52-E89 PolarHBondContact NE2-OE1 3.5Å; Q52-E89 PolarHBondContact NE2-OE2 3.13Å; I86-E89 HydrophobicContact CG2-CB 3.98Å; L87-E89 VanDerWaalsContact C-N 3.28Å; L87-E89 PolarHBondContact O-N 2.84Å; E89-R92 HydrophobicContact CG-CG 4.4Å; E89-I99 HydrophobicContact CB-CG2 4.04Å; E89-W160 HydrophobicContact CB-CH2 4.46Å; E89-W160 HydrophobicContact CB-CZ2 4.41Å; E89-W160 HydrophobicContact CG-CZ2 4.24Å; E89-W160 VanDerWaalsContact O-CZ2 3.28Å; E89-W160 WeakPolarHBondContact O-CZ2 3.43Å
90	H	95.6	Very high	93.7	Very high	22 Å²	22	56.5 Å²	56.5	10%	0.102	30%	0.296	C	S	.	.			trans	-126.7	-45.7	169.8	173.3	73.5	0	0	0	110.4	A40 E97 W160 Y171 L172	A40-H90 PolarHBondContact O-CE1 2.68Å; H90-E97 WeakPolarHBondContact CA-OE2 3.2Å; H90-E97 WeakPolarHBondContact CB-OE1 3.44Å; H90-E97 VanDerWaalsContact CB-OE2 3.3Å; H90-E97 WeakPolarHBondContact CB-OE2 3.48Å; H90-E97 PolarHBondContact N-OE2 3.07Å; H90-W160 PolarHBondContact O-NE1 2.97Å; H90-W160 VanDerWaalsContact O-NE1 3.08Å; H90-Y171 AromaticContact CD2-CD1 3.87Å; H90-Y171 AromaticContact NE2-CD1 3.69Å; H90-Y171 CarbonylContact O-C 3.41Å; H90-Y171 VanDerWaalsContact O-CA 3.3Å; H90-Y171 WeakPolarHBondContact O-CA 3.34Å; H90-L172 PolarHBondContact O-N 2.84Å
91	D	94.2	Very high	93.7	Very high	13 Å²	13	57.8 Å²	57.8	7%	0.07	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-100.7	108.8	177.8	-176.6	-10.4	0	0	0	111.2	Q93 Y94 E97 R170 Y171	D91-Q93 VanDerWaalsContact C-N 3.26Å; D91-Q93 PolarHBondContact O-N 2.81Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.39Å; D91-Q93 PolarHBondContact OD1-N 3.15Å; D91-Y94 PolarHBondContact OD1-N 2.96Å; D91-E97 PolarHBondContact N-OE2 3.12Å; D91-E97 VanDerWaalsContact N-OE2 3.08Å; D91-R170 WeakPolarHBondContact OD1-CG 3.34Å; D91-R170 IonicContact OD1-CZ 3.72Å; D91-R170 IonicContact OD1-NE 3.65Å; D91-R170 PolarHBondContact OD1-NE 2.82Å; D91-R170 IonicContact OD1-NH2 3.86Å; D91-R170 IonicContact OD2-CZ 3.26Å; D91-R170 VanDerWaalsContact OD2-CZ 3.26Å; D91-R170 IonicContact OD2-NE 2.89Å; D91-R170 PolarHBondContact OD2-NE 2.68Å; D91-R170 IonicContact OD2-NH2 2.69Å; D91-R170 PolarHBondContact OD2-NH2 3.37Å; D91-Y171 HydrophobicContact CB-CD1 3.95Å; D91-Y171 HydrophobicContact CB-CE1 3.92Å; D91-Y171 WeakPolarHBondContact OD2-CE1 3.49Å
92	R	90.7	Very high	93.8	Very high	61 Å²	61	54 Å²	54	23%	0.23	28%	0.275	C	S	.	.	S	Bend	trans	-77.2	-5.5	-178.9	-62.5	-171.4	-57.5	159.5	8.1	114.7	H58 E89 W160 P169 R170	H58-R92 VanDerWaalsContact CB-NH1 3.31Å; H58-R92 PolarHBondContact CD2-NH1 3.08Å; H58-R92 VanDerWaalsContact CG-NH1 3.3Å; E89-R92 HydrophobicContact CG-CG 4.4Å; R92-W160 VanDerWaalsContact CD-CG 3.47Å; R92-W160 HydrophobicContact CG-CD2 4.24Å; R92-W160 HydrophobicContact CG-CG 4.11Å; R92-W160 VanDerWaalsContact CZ-CB 3.41Å; R92-W160 VanDerWaalsContact NE-CD1 3.33Å; R92-P169 PolarHBondContact NE-O 3.45Å; R92-P169 PolarHBondContact NH2-O 2.84Å; R92-R170 PolarHBondContact N-O 2.87Å
93	Q	87.9	Confident	93.9	Very high	116 Å²	116	53.1 Å²	53.1	54%	0.542	27%	0.272	S	S	.	.	S	Bend	trans	-94	-33	-179.1	-171.8	178.8	-12.5	0	0	112	D91 R170	D91-Q93 VanDerWaalsContact C-N 3.26Å; D91-Q93 PolarHBondContact O-N 2.81Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.39Å; D91-Q93 PolarHBondContact OD1-N 3.15Å; Q93-R170 HydrophobicContact CB-CG 3.91Å; Q93-R170 VanDerWaalsContact OE1-CD 3.25Å
94	Y	82.9	Confident	94	Very high	124 Å²	124	51.9 Å²	51.9	49%	0.486	27%	0.267	S	S	.	.			trans	-129.6	126	-177.3	-61	-87.3	0	0	0	111	D91 S96 R170	D91-Y94 PolarHBondContact OD1-N 2.96Å; Y94-S96 PolarHBondContact O-N 2.79Å; Y94-R170 VanDerWaalsContact CD2-CZ 3.48Å
95	N	74.4	Confident	94	Very high	128 Å²	128	48.7 Å²	48.7	68%	0.684	26%	0.264	S	S	*	.			trans	-78.6	47.9	175	-63.8	-20.9	0	0	0	111.9	E97	N95-E97 VanDerWaalsContact C-N 3.32Å
96	S	85.6	Confident	94	Very high	98 Å²	98	55.1 Å²	55.1	69%	0.685	29%	0.289	S	S	*	.			trans	-80.4	-17.6	178.8	57.4	0	0	0	0	112.6	Y94	Y94-S96 PolarHBondContact O-N 2.79Å
97	E	91.7	Very high	94	Very high	23 Å²	23	56.5 Å²	56.5	11%	0.107	30%	0.3	C	S	.	.	S	Bend	trans	-87.1	151.5	179.9	-61.2	178.7	114.6	0	0	111.2	S42 H90 D91 N95 I99 R136	S42-E97 PolarHBondContact OG-OE1 3.34Å; H90-E97 WeakPolarHBondContact CA-OE2 3.2Å; H90-E97 WeakPolarHBondContact CB-OE1 3.44Å; H90-E97 VanDerWaalsContact CB-OE2 3.3Å; H90-E97 WeakPolarHBondContact CB-OE2 3.48Å; H90-E97 PolarHBondContact N-OE2 3.07Å; D91-E97 PolarHBondContact N-OE2 3.12Å; D91-E97 VanDerWaalsContact N-OE2 3.08Å; N95-E97 VanDerWaalsContact C-N 3.32Å; E97-I99 HydrophobicContact CB-CG2 4.04Å; E97-I99 PolarHBondContact O-N 2.85Å; E97-R136 IonicContact OE1-CZ 3.77Å; E97-R136 IonicContact OE1-NH1 3.87Å; E97-R136 PolarHBondContact OE1-NH1 2.03Å
98	P	93.6	Very high	94	Very high	98 Å²	98	57.8 Å²	57.8	64%	0.636	31%	0.307	S	S	*	.			trans	-74.6	66	176.2	32.9	-36.4	0	0	0	111
99	I	96.9	Very high	94	Very high	41 Å²	41	60.5 Å²	60.5	21%	0.21	32%	0.322	C	S	.	.			trans	-71.6	155	-179.6	65.3	172.9	0	0	0	111.3	I86 L87 E89 E97 V101	I86-I99 HydrophobicContact CG2-CB 4.31Å; I86-I99 HydrophobicContact CG2-CD1 4.1Å; L87-I99 WeakPolarHBondContact O-CA 3.43Å; E89-I99 HydrophobicContact CB-CG2 4.04Å; E97-I99 HydrophobicContact CB-CG2 4.04Å; E97-I99 PolarHBondContact O-N 2.85Å; I99-V101 HydrophobicContact CD1-CG2 4.43Å
100	Q	98.1	Very high	94.1	Very high	30 Å²	30	60.6 Å²	60.6	14%	0.14	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.6	168.8	-66.3	175.1	55.6	0	0	110.5	I86 L87 Q132	I86-Q100 WeakPolarHBondContact CA-O 3.5Å; L87-Q100 HydrophobicContact CB-CB 4.24Å; L87-Q100 PolarHBondContact N-O 2.86Å; L87-Q100 PolarHBondContact O-N 2.95Å; Q100-Q132 PolarHBondContact NE2-O 3.48Å
101	V	97.8	Very high	94.3	Very high	78 Å²	78	64.3 Å²	64.3	47%	0.473	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.4	172.2	-174.3	0	0	0	0	108.4	R84 I86 I99	R84-V101 HydrophobicContact CB-CG1 4.39Å; I86-V101 HydrophobicContact CD1-CB 4.19Å; I86-V101 HydrophobicContact CD1-CG1 3.81Å; I86-V101 HydrophobicContact CD1-CG2 3.92Å; I99-V101 HydrophobicContact CD1-CG2 4.43Å
102	K	98.5	Very high	94.5	Very high	20 Å²	20	71.3 Å²	71.3	9%	0.087	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132	-177.9	-60.7	-69.5	174.7	173.5	0	110.1	V85 L87 L127 S129 P130	V85-K102 HydrophobicContact CB-CB 4.12Å; V85-K102 HydrophobicContact CG1-CB 4.23Å; V85-K102 PolarHBondContact N-O 2.87Å; V85-K102 PolarHBondContact O-N 3.19Å; L87-K102 HydrophobicContact CD1-CG 4.21Å; K102-L127 HydrophobicContact CB-CD1 4.36Å; K102-L127 HydrophobicContact CB-CD2 4.08Å; K102-L127 HydrophobicContact CG-CD1 4.22Å; K102-S129 PolarHBondContact NZ-OG 3.5Å; K102-P130 PolarHBondContact NZ-O 2.92Å
103	T	98.6	Very high	94.9	Very high	76 Å²	76	70.7 Å²	70.7	47%	0.466	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	157.8	166.4	56.6	0	0	0	0	109.8	S128	T103-S128 PolarHBondContact O-N 2.88Å; T103-S128 PolarHBondContact O-OG 3.45Å; T103-S128 WeakPolarHBondContact OG1-CB 3.32Å; T103-S128 PolarHBondContact OG1-OG 2.79Å; T103-S128 VanDerWaalsContact OG1-OG 3.06Å
104	I	98.8	Very high	95.4	Very high	9 Å²	9	68.3 Å²	68.3	5%	0.046	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.3	-177.5	-57.9	165.4	0	0	0	107.4	V78 P80 H83 V85 R106 L125 R126	V78-I104 HydrophobicContact CG1-CD1 3.42Å; V78-I104 VanDerWaalsContact CG1-CD1 3.42Å; P80-I104 HydrophobicContact CB-CB 4.19Å; P80-I104 HydrophobicContact CB-CG2 4.02Å; P80-I104 WeakPolarHBondContact CB-O 3.38Å; P80-I104 HydrophobicContact CG-CG2 4.06Å; H83-I104 HydrophobicContact CB-CD1 4.49Å; V85-I104 HydrophobicContact CG2-CD1 4.14Å; V85-I104 HydrophobicContact CG2-CG1 3.98Å; I104-R106 WeakPolarHBondContact CG2-O 3.49Å; I104-L125 HydrophobicContact CD1-CD1 4.2Å; I104-L125 HydrophobicContact CG2-CB 4.3Å; I104-R126 CarbonylContact C-O 3.54Å; I104-R126 WeakPolarHBondContact CA-O 3.3Å
105	S	98.4	Very high	96	Very high	61 Å²	61	65.6 Å²	65.6	43%	0.427	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-33.2	175.8	57.8	0	0	0	0	111.6	R126 L127 S128	S105-R126 PolarHBondContact N-O 2.81Å; S105-R126 WeakPolarHBondContact OG-CB 3.42Å; S105-R126 WeakPolarHBondContact OG-CG 3.22Å; S105-R126 PolarHBondContact OG-O 3.03Å; S105-R126 VanDerWaalsContact OG-O 3.08Å; S105-L127 PolarHBondContact OG-O 3.03Å; S105-S128 PolarHBondContact N-OG 3.24Å
106	R	98.4	Very high	97.1	Very high	136 Å²	136	66.5 Å²	66.5	51%	0.513	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	139.8	179.5	-160.8	170.9	-179.9	168.5	8.4	111.5	I104 I108 L125 R126 N263	I104-R106 WeakPolarHBondContact CG2-O 3.49Å; R106-I108 HydrophobicContact CG-CD1 4.26Å; R106-I108 HydrophobicContact CG-CG1 3.77Å; R106-L125 WeakPolarHBondContact O-CA 3.46Å; R106-R126 HydrophobicContact CB-CB 4.17Å; R106-R126 PolarHBondContact N-O 2.84Å; R106-R126 PolarHBondContact O-N 2.87Å; R106-N263 PolarHBondContact NH1-OD1 3.1Å
107	A	98.7	Very high	97.6	Very high	32 Å²	32	65.4 Å²	65.4	26%	0.264	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.9	165.4	0	0	0	0	0	108.3	P80 T123 L124 L125	P80-A107 HydrophobicContact CG-CB 3.94Å; A107-T123 HydrophobicContact CB-CG2 4.25Å; A107-L124 CarbonylContact C-O 3.3Å; A107-L124 WeakPolarHBondContact CA-O 3.49Å; A107-L125 HydrophobicContact CB-CD2 3.72Å
108	I	98.8	Very high	97.9	Very high	28 Å²	28	66 Å²	66	14%	0.144	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	100	-176.1	-50.8	176.5	0	0	0	108.1	W69 R106 T123 L124 W255 T259 N263	W69-I108 HydrophobicContact CH2-CD1 3.8Å; W69-I108 HydrophobicContact CZ3-CD1 4.07Å; R106-I108 HydrophobicContact CG-CD1 4.26Å; R106-I108 HydrophobicContact CG-CG1 3.77Å; I108-T123 WeakPolarHBondContact O-CA 3.39Å; I108-L124 PolarHBondContact N-O 3.2Å; I108-L124 PolarHBondContact O-N 3.23Å; I108-W255 HydrophobicContact CG2-CZ2 4.35Å; I108-W255 WeakPolarHBondContact O-CH2 3.16Å; I108-T259 HydrophobicContact CB-CG2 4.16Å; I108-T259 HydrophobicContact CD1-CG2 3.61Å; I108-T259 HydrophobicContact CG1-CG2 4.49Å; I108-T259 HydrophobicContact CG2-CG2 3.88Å; I108-N263 HydrophobicContact CD1-CB 4.37Å
109	T	98.8	Very high	98.1	Very high	64 Å²	64	63 Å²	63	39%	0.393	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	142.6	176.5	-59.7	0	0	0	0	110.4	A74 F113 T123	A74-T109 HydrophobicContact CB-CG2 3.63Å; T109-F113 HydrophobicContact CG2-CB 3.75Å; T109-F113 HydrophobicContact CG2-CD1 3.98Å; T109-F113 HydrophobicContact CG2-CG 4.11Å; T109-T123 WeakPolarHBondContact CA-OG1 3.42Å; T109-T123 WeakPolarHBondContact CB-OG1 3.24Å; T109-T123 PolarHBondContact OG1-OG1 3.28Å
110	H	98.8	Very high	98.2	Very high	15 Å²	15	63.3 Å²	63.3	7%	0.069	34%	0.34	C	S	.	.			trans	-56.3	131.2	175.1	-167	-74.3	0	0	0	110.6	Y112 F113 Y120 I122 W255	H110-Y112 AromaticContact CE1-CD2 3.78Å; H110-Y112 PolarHBondContact ND1-N 3.35Å; H110-Y112 VanDerWaalsContact ND1-N 3.16Å; H110-Y112 PolarHBondContact O-N 3.12Å; H110-Y112 VanDerWaalsContact O-N 3.1Å; H110-F113 VanDerWaalsContact O-CB 3.31Å; H110-F113 WeakPolarHBondContact O-CB 3.34Å; H110-F113 PolarHBondContact O-N 2.94Å; H110-Y120 AromaticContact CD2-CD1 3.98Å; H110-Y120 AromaticContact CE1-CD1 3.15Å; H110-Y120 WeakPolarHBondContact CE1-CD1 3.48Å; H110-Y120 AromaticContact CE1-CE1 3.6Å; H110-Y120 AromaticContact CE1-CG 3.79Å; H110-Y120 AromaticContact ND1-CD1 3.47Å; H110-Y120 WeakPolarHBondContact ND1-CD1 3.08Å; H110-Y120 AromaticContact ND1-CG 3.67Å; H110-Y120 AromaticContact NE2-CD1 3.47Å; H110-Y120 WeakPolarHBondContact NE2-CD1 3.39Å; H110-Y120 AromaticContact NE2-CE1 3.91Å; H110-I122 HydrophobicContact CB-CG2 3.61Å; H110-I122 PolarHBondContact N-O 3.29Å; H110-I122 VanDerWaalsContact N-O 3.13Å; H110-W255 VanDerWaalsContact CA-CZ2 3.44Å; H110-W255 HydrophobicContact CB-CD2 4.45Å; H110-W255 HydrophobicContact CB-CH2 4.2Å; H110-W255 HydrophobicContact CB-CZ2 3.91Å; H110-W255 AromaticContact CD2-CD1 3.61Å; H110-W255 AromaticContact CD2-CD2 3.3Å; H110-W255 AromaticContact CD2-CE2 3.58Å; H110-W255 AromaticContact CD2-CE3 3.82Å; H110-W255 AromaticContact CD2-CG 3.33Å; H110-W255 AromaticContact CD2-NE1 3.74Å; H110-W255 AromaticContact NE2-CD1 3.75Å; H110-W255 AromaticContact NE2-CG 3.62Å
111	P	98.4	Very high	98.2	Very high	99 Å²	99	62 Å²	62	64%	0.643	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-23	-172.8	24.6	-35.6	0	0	0	113.6
112	Y	98.6	Very high	98.3	Very high	160 Å²	160	58.2 Å²	58.2	63%	0.627	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	10.3	176.2	-56.5	-27.4	0	0	0	114.6	H110 N114 Y120	H110-Y112 AromaticContact CE1-CD2 3.78Å; H110-Y112 PolarHBondContact ND1-N 3.35Å; H110-Y112 VanDerWaalsContact ND1-N 3.16Å; H110-Y112 PolarHBondContact O-N 3.12Å; H110-Y112 VanDerWaalsContact O-N 3.1Å; Y112-N114 PolarHBondContact O-N 2.81Å; Y112-Y120 HydrophobicContact CD2-CE1 4.38Å; Y112-Y120 HydrophobicContact CD2-CE2 4.36Å; Y112-Y120 WeakPolarHBondContact O-CD2 3.3Å
113	F	98.7	Very high	98.3	Very high	49 Å²	49	57.4 Å²	57.4	22%	0.215	31%	0.307	C	S	.	.			trans	-57.3	128.2	174	173.1	-121.8	0	0	0	110.7	A74 H75 T109 H110 L118 N119 D121	A74-F113 HydrophobicContact CB-CB 4.23Å; A74-F113 HydrophobicContact CB-CD1 3.65Å; A74-F113 HydrophobicContact CB-CD2 3.58Å; A74-F113 HydrophobicContact CB-CE1 3.81Å; A74-F113 HydrophobicContact CB-CE2 3.75Å; A74-F113 HydrophobicContact CB-CG 3.53Å; A74-F113 HydrophobicContact CB-CZ 3.86Å; H75-F113 HydrophobicContact CB-CZ 4.06Å; T109-F113 HydrophobicContact CG2-CB 3.75Å; T109-F113 HydrophobicContact CG2-CD1 3.98Å; T109-F113 HydrophobicContact CG2-CG 4.11Å; H110-F113 VanDerWaalsContact O-CB 3.31Å; H110-F113 WeakPolarHBondContact O-CB 3.34Å; H110-F113 PolarHBondContact O-N 2.94Å; F113-L118 HydrophobicContact CE2-CD2 4.14Å; F113-L118 HydrophobicContact CZ-CD2 4.28Å; F113-N119 WeakPolarHBondContact CA-O 3.48Å; F113-N119 WeakPolarHBondContact CD2-O 3.25Å; F113-D121 HydrophobicContact CD2-CB 4.14Å; F113-D121 HydrophobicContact CE2-CB 3.92Å; F113-D121 WeakPolarHBondContact CE2-OD1 3.22Å
114	N	98.3	Very high	98.3	Very high	66 Å²	66	53.8 Å²	53.8	35%	0.353	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-121.7	111.7	178.8	-179	-58.2	0	0	0	110	Y112 N116 T117 L118 N119	Y112-N114 PolarHBondContact O-N 2.81Å; N114-N116 PolarHBondContact O-N 3.02Å; N114-N116 WeakPolarHBondContact OD1-CB 3.44Å; N114-N116 PolarHBondContact OD1-N 2.55Å; N114-T117 WeakPolarHBondContact CB-OG1 3.43Å; N114-T117 VanDerWaalsContact CG-OG1 3.22Å; N114-T117 PolarHBondContact O-N 2.72Å; N114-T117 PolarHBondContact OD1-N 3.37Å; N114-T117 PolarHBondContact OD1-OG1 3.42Å; N114-T117 VanDerWaalsContact OD1-OG1 3.05Å; N114-L118 VanDerWaalsContact O-CA 3.24Å; N114-L118 WeakPolarHBondContact O-CA 3.36Å; N114-L118 PolarHBondContact O-N 2.8Å; N114-N119 HydrophobicContact CB-CB 4.46Å; N114-N119 PolarHBondContact N-O 2.8Å
115	S	97.3	Very high	98.3	Very high	66 Å²	66	53.4 Å²	53.4	46%	0.462	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.3	-175.1	59	0	0	0	0	115.1
116	N	96.3	Very high	98.3	Very high	147 Å²	147	54.5 Å²	54.5	79%	0.786	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-35	179.7	-61.9	-27.3	0	0	0	111.6	N114	N114-N116 PolarHBondContact O-N 3.02Å; N114-N116 WeakPolarHBondContact OD1-CB 3.44Å; N114-N116 PolarHBondContact OD1-N 2.55Å
117	T	96.4	Very high	98.3	Very high	75 Å²	75	48.1 Å²	48.1	46%	0.46	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-14.4	-177.2	56.7	0	0	0	0	113.1	N114 N119 M198	N114-T117 WeakPolarHBondContact CB-OG1 3.43Å; N114-T117 VanDerWaalsContact CG-OG1 3.22Å; N114-T117 PolarHBondContact O-N 2.72Å; N114-T117 PolarHBondContact OD1-N 3.37Å; N114-T117 PolarHBondContact OD1-OG1 3.42Å; N114-T117 VanDerWaalsContact OD1-OG1 3.05Å; T117-N119 PolarHBondContact O-N 2.96Å; T117-N119 WeakPolarHBondContact OG1-CB 3.32Å; T117-N119 PolarHBondContact OG1-N 2.04Å; T117-M198 WeakPolarHBondContact O-CE 3.11Å
118	L	97.8	Very high	98.3	Very high	37 Å²	37	49.5 Å²	49.5	19%	0.194	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	28.4	-169.8	-55.5	176	0	0	0	112.6	H75 F113 N114 D121 M198 W233	H75-L118 HydrophobicContact CB-CD2 3.95Å; F113-L118 HydrophobicContact CE2-CD2 4.14Å; F113-L118 HydrophobicContact CZ-CD2 4.28Å; N114-L118 VanDerWaalsContact O-CA 3.24Å; N114-L118 WeakPolarHBondContact O-CA 3.36Å; N114-L118 PolarHBondContact O-N 2.8Å; L118-D121 HydrophobicContact CB-CB 4.4Å; L118-D121 VanDerWaalsContact O-CB 3.29Å; L118-D121 WeakPolarHBondContact O-CB 3.3Å; L118-M198 WeakPolarHBondContact O-CE 3.35Å; L118-W233 HydrophobicContact CD1-CB 3.56Å; L118-W233 HydrophobicContact CD1-CG 3.71Å
119	N	97.8	Very high	98.3	Very high	35 Å²	35	50.5 Å²	50.5	19%	0.187	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-73.3	143.6	170.8	-158.9	-19.2	0	0	0	109.2	F113 N114 T117 D121 V197 M198	F113-N119 WeakPolarHBondContact CA-O 3.48Å; F113-N119 WeakPolarHBondContact CD2-O 3.25Å; N114-N119 HydrophobicContact CB-CB 4.46Å; N114-N119 PolarHBondContact N-O 2.8Å; T117-N119 PolarHBondContact O-N 2.96Å; T117-N119 WeakPolarHBondContact OG1-CB 3.32Å; T117-N119 PolarHBondContact OG1-N 2.04Å; N119-D121 PolarHBondContact O-N 3.1Å; N119-V197 WeakPolarHBondContact OD1-CG2 3.07Å; N119-M198 HydrophobicContact CB-CE 4.49Å
120	Y	98.6	Very high	98.3	Very high	47 Å²	47	49.2 Å²	49.2	18%	0.184	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	40.7	-172.7	-60.3	-89.4	0	0	0	113.8	H110 Y112 I122 V197 Y251 L252	H110-Y120 AromaticContact CD2-CD1 3.98Å; H110-Y120 AromaticContact CE1-CD1 3.15Å; H110-Y120 WeakPolarHBondContact CE1-CD1 3.48Å; H110-Y120 AromaticContact CE1-CE1 3.6Å; H110-Y120 AromaticContact CE1-CG 3.79Å; H110-Y120 AromaticContact ND1-CD1 3.47Å; H110-Y120 WeakPolarHBondContact ND1-CD1 3.08Å; H110-Y120 AromaticContact ND1-CG 3.67Å; H110-Y120 AromaticContact NE2-CD1 3.47Å; H110-Y120 WeakPolarHBondContact NE2-CD1 3.39Å; H110-Y120 AromaticContact NE2-CE1 3.91Å; Y112-Y120 HydrophobicContact CD2-CE1 4.38Å; Y112-Y120 HydrophobicContact CD2-CE2 4.36Å; Y112-Y120 WeakPolarHBondContact O-CD2 3.3Å; Y120-I122 VanDerWaalsContact C-N 3.25Å; Y120-I122 PolarHBondContact O-N 3.25Å; Y120-V197 HydrophobicContact CD1-CG1 4.07Å; Y120-V197 HydrophobicContact CE1-CG1 3.66Å; Y120-V197 HydrophobicContact CE2-CG1 4.15Å; Y120-V197 HydrophobicContact CG-CG1 4.49Å; Y120-Y251 HydrophobicContact CE1-CE1 4.44Å; Y120-L252 HydrophobicContact CD1-CD2 3.69Å; Y120-L252 HydrophobicContact CE1-CD2 4.27Å
121	D	98.8	Very high	98.3	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.263	C	S	.	.			trans	-76	70.7	-177.3	-174.4	27.7	0	0	0	113	A74 H75 F113 L118 N119 S232 A247	A74-D121 WeakPolarHBondContact CA-OD1 3.33Å; A74-D121 WeakPolarHBondContact CB-OD1 3.32Å; A74-D121 PolarHBondContact N-OD1 2Å; H75-D121 IonicContact CE1-OD2 3.89Å; H75-D121 IonicContact CG-OD1 2.79Å; H75-D121 IonicContact CG-OD2 2.77Å; H75-D121 PolarHBondContact N-OD1 3Å; H75-D121 IonicContact ND1-OD1 3Å; H75-D121 PolarHBondContact ND1-OD1 3.06Å; H75-D121 IonicContact ND1-OD2 3.85Å; H75-D121 PolarHBondContact ND1-OD2 3.08Å; F113-D121 HydrophobicContact CD2-CB 4.14Å; F113-D121 HydrophobicContact CE2-CB 3.92Å; F113-D121 WeakPolarHBondContact CE2-OD1 3.22Å; L118-D121 HydrophobicContact CB-CB 4.4Å; L118-D121 VanDerWaalsContact O-CB 3.29Å; L118-D121 WeakPolarHBondContact O-CB 3.3Å; N119-D121 PolarHBondContact O-N 3.1Å; D121-S232 WeakPolarHBondContact OD2-CB 3.23Å; D121-S232 PolarHBondContact OD2-OG 3.38Å; D121-A247 WeakPolarHBondContact O-CB 3.45Å
122	I	98.9	Very high	98.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.			trans	-142.1	141.2	-179.1	-173.1	173.1	0	0	0	111.2	V71 T72 H110 Y120 I230 L252 W255 I256	V71-I122 HydrophobicContact CG2-CD1 3.69Å; V71-I122 HydrophobicContact CG2-CG1 3.68Å; T72-I122 WeakPolarHBondContact O-CA 3.45Å; H110-I122 HydrophobicContact CB-CG2 3.61Å; H110-I122 PolarHBondContact N-O 3.29Å; H110-I122 VanDerWaalsContact N-O 3.13Å; Y120-I122 VanDerWaalsContact C-N 3.25Å; Y120-I122 PolarHBondContact O-N 3.25Å; I122-I230 HydrophobicContact CB-CD1 4.38Å; I122-I230 HydrophobicContact CD1-CD1 3.59Å; I122-I230 HydrophobicContact CG1-CD1 3.73Å; I122-L252 HydrophobicContact CB-CD1 4.1Å; I122-L252 HydrophobicContact CD1-CB 4.26Å; I122-L252 HydrophobicContact CD1-CD1 4.06Å; I122-L252 HydrophobicContact CG2-CD1 3.93Å; I122-L252 HydrophobicContact CG2-CD2 4.24Å; I122-W255 HydrophobicContact CB-CZ3 4.34Å; I122-W255 HydrophobicContact CD1-CE3 4.18Å; I122-W255 HydrophobicContact CD1-CZ3 3.75Å; I122-W255 HydrophobicContact CG1-CZ3 3.8Å; I122-W255 HydrophobicContact CG2-CE3 4.04Å; I122-W255 HydrophobicContact CG2-CH2 4.14Å; I122-W255 HydrophobicContact CG2-CZ3 3.64Å; I122-I256 HydrophobicContact CD1-CD1 3.77Å; I122-I256 HydrophobicContact CD1-CG1 3.85Å
123	T	98.9	Very high	98.3	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	137.6	171.8	-70.3	0	0	0	0	110	T72 A74 A107 I108 T109 L125	T72-T123 PolarHBondContact N-O 2.9Å; T72-T123 PolarHBondContact O-N 3.25Å; A74-T123 VanDerWaalsContact CA-OG1 3.25Å; A74-T123 WeakPolarHBondContact CA-OG1 3.08Å; A74-T123 WeakPolarHBondContact CB-OG1 3.47Å; A107-T123 HydrophobicContact CB-CG2 4.25Å; I108-T123 WeakPolarHBondContact O-CA 3.39Å; T109-T123 WeakPolarHBondContact CA-OG1 3.42Å; T109-T123 WeakPolarHBondContact CB-OG1 3.24Å; T109-T123 PolarHBondContact OG1-OG1 3.28Å; T123-L125 HydrophobicContact CG2-CD2 3.81Å
124	L	98.9	Very high	98.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.9	173	-69.8	170.4	0	0	0	110.1	I65 W69 V71 A107 I108 W255 I256 T259 L260	I65-L124 HydrophobicContact CD1-CD2 3.85Å; W69-L124 HydrophobicContact CE3-CB 3.95Å; W69-L124 HydrophobicContact CZ3-CB 3.88Å; V71-L124 HydrophobicContact CB-CD2 3.82Å; V71-L124 HydrophobicContact CG2-CD2 3.87Å; A107-L124 CarbonylContact C-O 3.3Å; A107-L124 WeakPolarHBondContact CA-O 3.49Å; I108-L124 PolarHBondContact N-O 3.2Å; I108-L124 PolarHBondContact O-N 3.23Å; L124-W255 HydrophobicContact CB-CH2 4.45Å; L124-W255 HydrophobicContact CD1-CE3 4.35Å; L124-W255 HydrophobicContact CD1-CH2 3.9Å; L124-W255 HydrophobicContact CD1-CZ3 3.72Å; L124-W255 HydrophobicContact CG-CH2 3.89Å; L124-W255 HydrophobicContact CG-CZ3 3.8Å; L124-I256 HydrophobicContact CD1-CG2 4.27Å; L124-I256 HydrophobicContact CD2-CG2 4.3Å; L124-T259 HydrophobicContact CD1-CG2 3.58Å; L124-L260 HydrophobicContact CD1-CD1 3.68Å; L124-L260 HydrophobicContact CD2-CD1 4.28Å
125	L	98.9	Very high	98.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.3	178.1	-49.1	177.7	0	0	0	108.4	L51 W69 V70 T72 V78 V85 I104 R106 A107 T123	L51-L125 HydrophobicContact CD1-CD1 4.42Å; L51-L125 HydrophobicContact CD2-CD1 3.69Å; W69-L125 WeakPolarHBondContact CA-O 3.38Å; V70-L125 HydrophobicContact CB-CB 4.24Å; V70-L125 HydrophobicContact CB-CD1 4.5Å; V70-L125 HydrophobicContact CG1-CD1 4.25Å; V70-L125 PolarHBondContact N-O 2.8Å; V70-L125 PolarHBondContact O-N 2.74Å; T72-L125 HydrophobicContact CG2-CD1 3.96Å; T72-L125 HydrophobicContact CG2-CD2 4.39Å; T72-L125 HydrophobicContact CG2-CG 4.09Å; V78-L125 HydrophobicContact CB-CD1 4.46Å; V78-L125 HydrophobicContact CB-CD2 3.84Å; V78-L125 HydrophobicContact CG1-CD1 4.02Å; V78-L125 HydrophobicContact CG1-CD2 3.82Å; V78-L125 HydrophobicContact CG2-CD1 4.28Å; V78-L125 HydrophobicContact CG2-CD2 4.29Å; V85-L125 HydrophobicContact CG2-CD1 4.16Å; I104-L125 HydrophobicContact CD1-CD1 4.2Å; I104-L125 HydrophobicContact CG2-CB 4.3Å; R106-L125 WeakPolarHBondContact O-CA 3.46Å; A107-L125 HydrophobicContact CB-CD2 3.72Å; T123-L125 HydrophobicContact CG2-CD2 3.81Å
126	R	98.8	Very high	98.1	Very high	84 Å²	84	43.6 Å²	43.6	32%	0.317	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	123.7	169	-166.5	-176.2	-174.2	162.9	17	108.8	Y68 W69 I104 S105 R106 N263	Y68-R126 CarbonylContact O-C 3.6Å; Y68-R126 WeakPolarHBondContact O-CA 3.25Å; W69-R126 HydrophobicContact CD2-CB 4.41Å; W69-R126 HydrophobicContact CD2-CG 4.47Å; W69-R126 HydrophobicContact CE3-CB 4.06Å; W69-R126 HydrophobicContact CH2-CB 3.78Å; W69-R126 HydrophobicContact CH2-CG 4.14Å; W69-R126 HydrophobicContact CZ2-CB 4.11Å; W69-R126 HydrophobicContact CZ2-CG 3.95Å; W69-R126 HydrophobicContact CZ3-CB 3.74Å; W69-R126 HydrophobicContact CZ3-CG 4.45Å; I104-R126 CarbonylContact C-O 3.54Å; I104-R126 WeakPolarHBondContact CA-O 3.3Å; S105-R126 PolarHBondContact N-O 2.81Å; S105-R126 WeakPolarHBondContact OG-CB 3.42Å; S105-R126 WeakPolarHBondContact OG-CG 3.22Å; S105-R126 PolarHBondContact OG-O 3.03Å; S105-R126 VanDerWaalsContact OG-O 3.08Å; R106-R126 HydrophobicContact CB-CB 4.17Å; R106-R126 PolarHBondContact N-O 2.84Å; R106-R126 PolarHBondContact O-N 2.87Å; R126-N263 PolarHBondContact NH1-O 2.88Å; R126-N263 PolarHBondContact NH2-O 3.29Å; R126-N263 PolarHBondContact NH2-OXT 3.29Å
127	L	98.8	Very high	98.2	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	145.8	174	-53	-176.4	0	0	0	109.9	L64 Y68 V70 V85 K102 S105 S129 A131	L64-L127 HydrophobicContact CD1-CD1 4.25Å; Y68-L127 WeakPolarHBondContact O-CG 3.44Å; Y68-L127 PolarHBondContact O-N 2.79Å; V70-L127 HydrophobicContact CG2-CD2 4.11Å; V85-L127 HydrophobicContact CB-CD2 3.87Å; V85-L127 HydrophobicContact CG1-CD2 3.81Å; V85-L127 HydrophobicContact CG2-CD2 3.78Å; K102-L127 HydrophobicContact CB-CD1 4.36Å; K102-L127 HydrophobicContact CB-CD2 4.08Å; K102-L127 HydrophobicContact CG-CD1 4.22Å; S105-L127 PolarHBondContact OG-O 3.03Å; L127-S129 WeakPolarHBondContact CB-O 3.37Å; L127-S129 PolarHBondContact O-N 2.74Å; L127-A131 HydrophobicContact CD1-CB 4.33Å
128	S	98.5	Very high	98.3	Very high	62 Å²	62	33.3 Å²	33.3	43%	0.434	18%	0.178	S	C	.	.	S	Bend	trans	-73.5	-18.6	176.5	-55.1	0	0	0	0	113.2	T103 S105	T103-S128 PolarHBondContact O-N 2.88Å; T103-S128 PolarHBondContact O-OG 3.45Å; T103-S128 WeakPolarHBondContact OG1-CB 3.32Å; T103-S128 PolarHBondContact OG1-OG 2.79Å; T103-S128 VanDerWaalsContact OG1-OG 3.06Å; S105-S128 PolarHBondContact N-OG 3.24Å
129	S	98.5	Very high	98.3	Very high	48 Å²	48	32 Å²	32	34%	0.336	17%	0.171	S	C	.	.	S	Bend	trans	-145	150.7	174.6	61.9	0	0	0	0	109.4	K102 L127	K102-S129 PolarHBondContact NZ-OG 3.5Å; L127-S129 WeakPolarHBondContact CB-O 3.37Å; L127-S129 PolarHBondContact O-N 2.74Å
130	P	98.6	Very high	98.4	Very high	38 Å²	38	30.4 Å²	30.4	25%	0.247	16%	0.163	C	C	.	.			trans	-65.4	140	-177.3	25.9	-31.7	0	0	0	111.2	E67 Y68 K102 Q132	E67-P130 HydrophobicContact CB-CB 4.12Å; E67-P130 HydrophobicContact CG-CB 4.01Å; E67-P130 CarbonylContact O-C 3.57Å; E67-P130 VanDerWaalsContact O-CA 3.3Å; E67-P130 WeakPolarHBondContact O-CA 3.42Å; Y68-P130 HydrophobicContact CD1-CB 4.29Å; Y68-P130 HydrophobicContact CE1-CB 3.78Å; Y68-P130 HydrophobicContact CE1-CG 4.06Å; Y68-P130 HydrophobicContact CE2-CB 4.01Å; K102-P130 PolarHBondContact NZ-O 2.92Å; P130-Q132 PolarHBondContact O-NE2 2.85Å
131	A	98.6	Very high	98.4	Very high	5 Å²	5	28.6 Å²	28.6	4%	0.041	16%	0.157	C	C	.	.			trans	-59.9	135.8	164.5	0	0	0	0	0	109.8	L64 E67 L87 L127 F133 V137	L64-A131 HydrophobicContact CD1-CB 4.23Å; L64-A131 HydrophobicContact CD2-CB 4.1Å; E67-A131 PolarHBondContact O-N 3.17Å; L87-A131 HydrophobicContact CD1-CB 3.52Å; L127-A131 HydrophobicContact CD1-CB 4.33Å; A131-F133 HydrophobicContact CB-CE1 4.43Å; A131-V137 HydrophobicContact CB-CG1 4.24Å
132	Q	98.3	Very high	98.3	Very high	117 Å²	117	29.6 Å²	29.6	55%	0.547	16%	0.162	S	C	.	.			trans	-88.6	110.9	175.6	-59	-57.2	-60.4	0	0	108.1	Q100 P130	Q100-Q132 PolarHBondContact NE2-O 3.48Å; P130-Q132 PolarHBondContact O-NE2 2.85Å
133	F	97.9	Very high	98.2	Very high	60 Å²	60	30.3 Å²	30.3	26%	0.263	17%	0.166	S	C	.	.			trans	-66.8	141.8	-178.4	-64.4	-20.1	0	0	0	111.6	L17 L64 E67 A131 V137 P139	L17-F133 HydrophobicContact CB-CD2 4.31Å; L17-F133 HydrophobicContact CD1-CB 4.12Å; L17-F133 HydrophobicContact CD1-CD2 4.16Å; L17-F133 HydrophobicContact CD2-CB 4.43Å; L64-F133 HydrophobicContact CD2-CD1 4.49Å; L64-F133 HydrophobicContact CD2-CE1 3.97Å; E67-F133 HydrophobicContact CB-CE1 3.89Å; E67-F133 HydrophobicContact CB-CE2 4.4Å; E67-F133 HydrophobicContact CB-CZ 3.68Å; A131-F133 HydrophobicContact CB-CE1 4.43Å; F133-V137 CarbonylContact C-O 3.59Å; F133-V137 WeakPolarHBondContact CA-O 3.42Å; F133-V137 WeakPolarHBondContact CB-O 3.3Å; F133-V137 HydrophobicContact CD1-CG1 4.49Å; F133-P139 HydrophobicContact CE1-CG 4.43Å; F133-P139 HydrophobicContact CE2-CG 4.19Å; F133-P139 HydrophobicContact CZ-CG 3.84Å
134	S	96.9	Very high	98	Very high	47 Å²	47	32.1 Å²	32.1	33%	0.329	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-151.7	-177.7	-178.3	76.2	0	0	0	0	109.6	R136 V137	S134-R136 PolarHBondContact O-N 2.87Å; S134-R136 PolarHBondContact OG-N 2.76Å; S134-R136 VanDerWaalsContact OG-N 3.16Å; S134-V137 PolarHBondContact N-O 3.23Å; S134-V137 PolarHBondContact O-N 3.33Å; S134-V137 VanDerWaalsContact O-O 3.09Å; S134-V137 PolarHBondContact OG-N 2.87Å
135	S	96.3	Very high	97.7	Very high	54 Å²	54	36.2 Å²	36.2	38%	0.378	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-14.5	173	55.8	0	0	0	0	114.3
136	R	96.9	Very high	97.1	Very high	54 Å²	54	41.2 Å²	41.2	20%	0.204	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-4.8	-176.3	-64.3	171.1	164.9	-97.2	-4.3	113.5	I24 S42 P46 G88 E97 S134	I24-R136 HydrophobicContact CD1-CG 4.39Å; S42-R136 VanDerWaalsContact OG-CZ 3.32Å; S42-R136 PolarHBondContact OG-NH1 2.83Å; S42-R136 PolarHBondContact OG-NH2 2.89Å; P46-R136 VanDerWaalsContact CA-O 3.27Å; P46-R136 WeakPolarHBondContact CA-O 3.35Å; P46-R136 VanDerWaalsContact CB-C 3.41Å; P46-R136 WeakPolarHBondContact CB-O 3.44Å; G88-R136 WeakPolarHBondContact CA-O 3.29Å; E97-R136 IonicContact OE1-CZ 3.77Å; E97-R136 IonicContact OE1-NH1 3.87Å; E97-R136 PolarHBondContact OE1-NH1 2.03Å; S134-R136 PolarHBondContact O-N 2.87Å; S134-R136 PolarHBondContact OG-N 2.76Å; S134-R136 VanDerWaalsContact OG-N 3.16Å
137	V	98.6	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-136.3	106.5	-179.8	-178.1	0	0	0	0	108.2	P46 L64 L87 A131 F133 S134	P46-V137 WeakPolarHBondContact O-CA 3.36Å; L64-V137 HydrophobicContact CD2-CG1 3.8Å; L87-V137 HydrophobicContact CB-CG1 4.07Å; L87-V137 HydrophobicContact CB-CG2 3.96Å; L87-V137 HydrophobicContact CD1-CG1 4.03Å; A131-V137 HydrophobicContact CB-CG1 4.24Å; F133-V137 CarbonylContact C-O 3.59Å; F133-V137 WeakPolarHBondContact CA-O 3.42Å; F133-V137 WeakPolarHBondContact CB-O 3.3Å; F133-V137 HydrophobicContact CD1-CG1 4.49Å; S134-V137 PolarHBondContact N-O 3.23Å; S134-V137 PolarHBondContact O-N 3.33Å; S134-V137 VanDerWaalsContact O-O 3.09Å; S134-V137 PolarHBondContact OG-N 2.87Å
138	S	98.5	Very high	95.6	Very high	6 Å²	6	44.8 Å²	44.8	4%	0.042	28%	0.28	C	S	.	.			trans	-160.3	154.9	176.9	70.6	0	0	0	0	109.4	P46 W47	P46-S138 CarbonylContact C-O 3.59Å; P46-S138 VanDerWaalsContact C-O 3.3Å; P46-S138 WeakPolarHBondContact CB-OG 3.31Å; P46-S138 WeakPolarHBondContact CG-OG 3.22Å; P46-S138 PolarHBondContact O-N 3.31Å; P46-S138 VanDerWaalsContact O-N 3.12Å; W47-S138 WeakPolarHBondContact CA-O 3.44Å; W47-S138 WeakPolarHBondContact CB-O 3.09Å; W47-S138 PolarHBondContact N-O 3.06Å
139	P	98.7	Very high	94.9	Very high	9 Å²	9	43.6 Å²	43.6	6%	0.058	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-78.7	153.4	-171.2	30.3	-32.1	0	0	0	112.3	C19 G20 L64 I65 F133	C19-P139 CarbonylContact C-O 3.54Å; C19-P139 VanDerWaalsContact CA-O 3.3Å; C19-P139 WeakPolarHBondContact CA-O 3.43Å; C19-P139 HydrophobicContact CB-CG 4.22Å; G20-P139 PolarHBondContact N-O 3.46Å; L64-P139 CarbonylContact O-C 3.46Å; L64-P139 VanDerWaalsContact O-CA 3.24Å; L64-P139 WeakPolarHBondContact O-CA 3.24Å; I65-P139 VanDerWaalsContact C-CB 3.44Å; I65-P139 WeakPolarHBondContact O-CB 3.28Å; F133-P139 HydrophobicContact CE1-CG 4.43Å; F133-P139 HydrophobicContact CE2-CG 4.19Å; F133-P139 HydrophobicContact CZ-CG 3.84Å
140	V	98.8	Very high	94.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-83.2	149.1	166.8	70.1	0	0	0	0	110.2	W47 L64 I65 V218 L227	W47-V140 HydrophobicContact CB-CB 3.81Å; W47-V140 HydrophobicContact CB-CG1 4.38Å; W47-V140 HydrophobicContact CD2-CB 3.66Å; W47-V140 HydrophobicContact CD2-CG2 3.94Å; W47-V140 HydrophobicContact CE3-CB 4.1Å; W47-V140 HydrophobicContact CE3-CG2 4.4Å; W47-V140 HydrophobicContact CG-CB 3.54Å; W47-V140 HydrophobicContact CG-CG1 4.4Å; W47-V140 HydrophobicContact CG-CG2 4.17Å; W47-V140 HydrophobicContact CZ2-CG2 4.29Å; L64-V140 PolarHBondContact O-N 2.92Å; I65-V140 HydrophobicContact CG2-CG1 4.1Å; V140-V218 HydrophobicContact CG2-CG1 3.64Å; V140-L227 HydrophobicContact CG1-CB 3.8Å; V140-L227 HydrophobicContact CG1-CD2 4.29Å; V140-L227 HydrophobicContact CG1-CG 4.44Å; V140-L227 HydrophobicContact CG2-CB 4.06Å
141	C	98.4	Very high	94.3	Very high	9 Å²	9	46.9 Å²	46.9	6%	0.061	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	144	170.2	-66	0	0	0	0	110.4	C19 V224 W225 Y226 L227	C19-C141 VanDerWaalsContact CA-SG 3.6Å; C19-C141 HydrophobicContact CB-CB 3.95Å; C19-C141 WeakPolarHBondContact CB-SG 3.1Å; C19-C141 PolarHBondContact O-SG 3.47Å; C19-C141 WeakPolarHBondContact SG-CA 3.31Å; C19-C141 WeakPolarHBondContact SG-CB 3.05Å; C19-C141 CovalentContact SG-SG 2.04Å; C19-C141 PolarHBondContact SG-SG 3.14Å; C141-V224 HydrophobicContact CB-CG1 4.29Å; C141-V224 WeakPolarHBondContact SG-CG1 3.06Å; C141-W225 WeakPolarHBondContact CB-O 3.47Å; C141-W225 PolarHBondContact N-O 2.96Å; C141-Y226 HydrophobicContact CB-CD1 3.46Å; C141-Y226 VanDerWaalsContact CB-CD1 3.46Å; C141-Y226 HydrophobicContact CB-CE1 3.68Å; C141-Y226 HydrophobicContact CB-CG 4.14Å; C141-Y226 CarbonylContact O-C 3.47Å; C141-Y226 VanDerWaalsContact O-CA 3.32Å; C141-Y226 WeakPolarHBondContact O-CA 3.07Å; C141-L227 PolarHBondContact O-N 2.82Å
142	L	98.2	Very high	94	Very high	23 Å²	23	48.9 Å²	48.9	12%	0.12	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.5	170.9	-68.1	175.2	0	0	0	109.6	I65 L227 V249 R253 I256	I65-L142 HydrophobicContact CB-CD1 4.5Å; I65-L142 HydrophobicContact CB-CD2 4.46Å; I65-L142 HydrophobicContact CB-CG 4.46Å; I65-L142 HydrophobicContact CD1-CD1 4.32Å; I65-L142 HydrophobicContact CG2-CD2 3.74Å; I65-L142 HydrophobicContact CG2-CG 4.25Å; L142-L227 HydrophobicContact CD2-CB 4.33Å; L142-L227 HydrophobicContact CD2-CD2 3.92Å; L142-V249 HydrophobicContact CB-CG1 4.5Å; L142-V249 HydrophobicContact CD2-CG1 3.9Å; L142-R253 VanDerWaalsContact C-NH1 3.32Å; L142-R253 PolarHBondContact O-NH1 3.37Å; L142-I256 HydrophobicContact CD1-CG2 3.72Å
143	L	96.1	Very high	93.8	Very high	14 Å²	14	45.4 Å²	45.4	7%	0.073	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-62.6	137.8	171.7	-166	65.7	0	0	0	110.1	I149 Y226 L227 A228 R253	L143-I149 HydrophobicContact CD1-CD1 3.97Å; L143-I149 HydrophobicContact CD1-CG1 4.06Å; L143-I149 HydrophobicContact CD2-CD1 3.66Å; L143-I149 HydrophobicContact CD2-CG1 3.84Å; L143-I149 HydrophobicContact CG-CD1 4.48Å; L143-Y226 HydrophobicContact CD1-CG 4.46Å; L143-L227 WeakPolarHBondContact CB-O 3.47Å; L143-L227 PolarHBondContact N-O 2.83Å; L143-A228 HydrophobicContact CD2-CB 4.24Å; L143-R253 PolarHBondContact O-NH1 2.51Å
144	S	94.4	Very high	93.5	Very high	41 Å²	41	46.5 Å²	46.5	29%	0.287	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-71	155.2	178.1	176.4	0	0	0	0	111.3	S146 S147 S250	S144-S146 PolarHBondContact O-N 2.85Å; S144-S146 PolarHBondContact OG-N 2.87Å; S144-S146 PolarHBondContact OG-OG 3.08Å; S144-S147 WeakPolarHBondContact CB-OG 3.42Å; S144-S147 PolarHBondContact O-N 2.95Å; S144-S250 WeakPolarHBondContact O-CB 3.21Å
145	S	92.1	Very high	93.4	Very high	87 Å²	87	44.2 Å²	44.2	61%	0.608	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.9	172.3	54.8	0	0	0	0	113.5	S250	S145-S250 VanDerWaalsContact CA-O 3.31Å; S145-S250 WeakPolarHBondContact CA-O 3.49Å
146	S	87.2	Confident	93.3	Very high	104 Å²	104	42 Å²	42	73%	0.727	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-10.3	176	58	0	0	0	0	113.7	S144	S144-S146 PolarHBondContact O-N 2.85Å; S144-S146 PolarHBondContact OG-N 2.87Å; S144-S146 PolarHBondContact OG-OG 3.08Å
147	S	85.9	Confident	93.2	Very high	53 Å²	53	39.6 Å²	39.6	37%	0.371	26%	0.263	S	S	.	.			trans	-88.6	127.2	-179.2	-64.6	0	0	0	0	110.7	S144	S144-S147 WeakPolarHBondContact CB-OG 3.42Å; S144-S147 PolarHBondContact O-N 2.95Å
148	S	80	Confident	93	Very high	108 Å²	108	39.8 Å²	39.8	76%	0.755	26%	0.264	S	S	*	.			trans	-111.5	133.9	166.5	63	0	0	0	0	109.6
149	I	84.9	Confident	92.8	Very high	38 Å²	38	39.6 Å²	39.6	20%	0.195	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-93.4	126.2	171.9	-56.4	176.9	0	0	0	107.6	L143 T153 L179 C219 A228	L143-I149 HydrophobicContact CD1-CD1 3.97Å; L143-I149 HydrophobicContact CD1-CG1 4.06Å; L143-I149 HydrophobicContact CD2-CD1 3.66Å; L143-I149 HydrophobicContact CD2-CG1 3.84Å; L143-I149 HydrophobicContact CG-CD1 4.48Å; I149-T153 HydrophobicContact CG2-CG2 3.6Å; I149-L179 HydrophobicContact CB-CD1 3.64Å; I149-L179 HydrophobicContact CG2-CD1 3.42Å; I149-L179 VanDerWaalsContact CG2-CD1 3.42Å; I149-C219 HydrophobicContact CD1-CB 3.52Å; I149-C219 WeakPolarHBondContact CD1-SG 3.28Å; I149-A228 HydrophobicContact CD1-CB 3.66Å
150	P	91.5	Very high	92.4	Very high	89 Å²	89	39.2 Å²	39.2	58%	0.578	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-55.9	141.6	-179.7	-25.7	34.2	0	0	0	112.1	T153	P150-T153 WeakPolarHBondContact O-CB 3.25Å; P150-T153 PolarHBondContact O-N 2.73Å; P150-T153 VanDerWaalsContact O-N 3.15Å; P150-T153 PolarHBondContact O-OG1 3.38Å
151	S	93.1	Very high	91.6	Very high	66 Å²	66	39.3 Å²	39.3	46%	0.462	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	145.9	169.3	-56.2	0	0	0	0	110.4	T153 S181	S151-T153 PolarHBondContact O-N 2.85Å; S151-S181 VanDerWaalsContact OG-CA 3.23Å; S151-S181 WeakPolarHBondContact OG-CA 3.26Å; S151-S181 WeakPolarHBondContact OG-CB 3.32Å; S151-S181 PolarHBondContact OG-N 2.92Å
152	G	92.4	Very high	90.3	Very high	47 Å²	47	43.8 Å²	43.8	49%	0.485	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-14.5	-172.9	0	0	0	0	0	114.5	K154 L179	G152-K154 PolarHBondContact O-N 2.89Å; G152-L179 PolarHBondContact N-O 2.81Å
153	T	93.2	Very high	88.5	Confident	43 Å²	43	44.1 Å²	44.1	26%	0.264	28%	0.28	S	S	.	.			trans	-56.5	132.3	170.9	-56.7	0	0	0	0	109.3	I149 P150 S151 P178 L179	I149-T153 HydrophobicContact CG2-CG2 3.6Å; P150-T153 WeakPolarHBondContact O-CB 3.25Å; P150-T153 PolarHBondContact O-N 2.73Å; P150-T153 VanDerWaalsContact O-N 3.15Å; P150-T153 PolarHBondContact O-OG1 3.38Å; S151-T153 PolarHBondContact O-N 2.85Å; T153-P178 CarbonylContact O-C 3.49Å; T153-P178 WeakPolarHBondContact O-CA 3.36Å; T153-L179 PolarHBondContact O-N 3.29Å
154	K	92	Very high	86.8	Confident	83 Å²	83	44.3 Å²	44.3	36%	0.361	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.5	-179.8	-54.4	-139.9	-130.9	178.3	0	109.4	Y31 G152	Y31-K154 HydrophobicContact CD1-CB 4.22Å; Y31-K154 HydrophobicContact CD1-CD 3.24Å; Y31-K154 HydrophobicContact CD1-CG 4.13Å; Y31-K154 HydrophobicContact CE1-CB 3.44Å; Y31-K154 VanDerWaalsContact CE1-CB 3.44Å; Y31-K154 HydrophobicContact CE1-CD 3.37Å; Y31-K154 HydrophobicContact CE1-CG 3.72Å; Y31-K154 HydrophobicContact CG-CD 4.2Å; Y31-K154 PolarHBondContact O-NZ 3.25Å; G152-K154 PolarHBondContact O-N 2.89Å
155	C	94.1	Very high	84.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	168	177.4	-57.5	0	0	0	0	108.5	S176 L177 L179 L217 V218 C219	C155-S176 CarbonylContact O-C 3.59Å; C155-S176 VanDerWaalsContact O-CA 3.31Å; C155-S176 WeakPolarHBondContact O-CA 3.44Å; C155-L177 PolarHBondContact N-O 3.17Å; C155-L177 PolarHBondContact O-N 2.81Å; C155-L179 HydrophobicContact CB-CD2 4.44Å; C155-L179 VanDerWaalsContact SG-CG 3.55Å; C155-L217 HydrophobicContact CB-CD1 3.79Å; C155-L217 HydrophobicContact CB-CG 4.18Å; C155-V218 CarbonylContact C-O 3.43Å; C155-V218 VanDerWaalsContact CA-O 3.28Å; C155-V218 WeakPolarHBondContact CA-O 3.38Å; C155-V218 VanDerWaalsContact CB-O 3.24Å; C155-V218 WeakPolarHBondContact CB-O 3.24Å; C155-C219 HydrophobicContact CB-CB 4.05Å; C155-C219 WeakPolarHBondContact CB-SG 3.23Å; C155-C219 WeakPolarHBondContact SG-CB 3.24Å; C155-C219 CovalentContact SG-SG 2.03Å; C155-C219 PolarHBondContact SG-SG 3.34Å
156	V	94.6	Very high	83.3	Confident	6 Å²	6	51 Å²	51	4%	0.036	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.1	-177.8	-179.1	0	0	0	0	109.2	V28 W45 T158 Q174 T175 L217 V218 W225	V28-V156 HydrophobicContact CG2-CG2 4.2Å; W45-V156 HydrophobicContact CH2-CB 3.9Å; W45-V156 HydrophobicContact CH2-CG1 3.74Å; W45-V156 HydrophobicContact CH2-CG2 4.13Å; W45-V156 HydrophobicContact CZ2-CB 4.25Å; W45-V156 HydrophobicContact CZ2-CG1 3.58Å; W45-V156 HydrophobicContact CZ2-CG2 4.49Å; V156-T158 HydrophobicContact CG1-CG2 4.13Å; V156-Q174 HydrophobicContact CG1-CB 4.19Å; V156-T175 VanDerWaalsContact CA-O 3.28Å; V156-T175 WeakPolarHBondContact CA-O 3.27Å; V156-L217 WeakPolarHBondContact O-CA 3.23Å; V156-V218 HydrophobicContact CB-CG2 4.23Å; V156-V218 PolarHBondContact N-O 3.05Å; V156-V218 WeakPolarHBondContact O-CG2 3.47Å; V156-V218 PolarHBondContact O-N 3.16Å; V156-W225 HydrophobicContact CB-CH2 4.43Å; V156-W225 HydrophobicContact CB-CZ3 4.08Å; V156-W225 HydrophobicContact CG2-CH2 3.73Å; V156-W225 HydrophobicContact CG2-CZ3 3.77Å
157	T	93.9	Very high	82.5	Confident	5 Å²	5	50.7 Å²	50.7	3%	0.031	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.1	166.1	-163.5	0	0	0	0	108.6	Q174 T175 L177 P216	T157-Q174 CarbonylContact O-C 3.5Å; T157-Q174 WeakPolarHBondContact O-CA 3.46Å; T157-T175 HydrophobicContact CG2-CG2 3.47Å; T157-T175 VanDerWaalsContact CG2-CG2 3.47Å; T157-T175 PolarHBondContact N-O 3.17Å; T157-T175 PolarHBondContact O-N 3.19Å; T157-L177 HydrophobicContact CG2-CD2 3.59Å; T157-P216 VanDerWaalsContact CA-O 3.3Å; T157-P216 WeakPolarHBondContact CA-O 3.32Å; T157-P216 PolarHBondContact OG1-O 3.33Å; T157-P216 VanDerWaalsContact OG1-O 3.08Å
158	T	94.8	Very high	82.1	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.018	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151.4	179.3	50.9	0	0	0	0	110.5	W45 Q48 V156 Q173 Q174 P216	W45-T158 HydrophobicContact CB-CG2 4.48Å; W45-T158 VanDerWaalsContact CD1-CG2 3.48Å; W45-T158 HydrophobicContact CD2-CG2 3.75Å; W45-T158 HydrophobicContact CG-CG2 3.67Å; W45-T158 HydrophobicContact CZ2-CG2 4.32Å; Q48-T158 PolarHBondContact OE1-O 3Å; Q48-T158 PolarHBondContact OE1-OG1 3.1Å; V156-T158 HydrophobicContact CG1-CG2 4.13Å; T158-Q173 WeakPolarHBondContact CA-O 3.3Å; T158-Q173 WeakPolarHBondContact CB-O 3.5Å; T158-Q174 HydrophobicContact CG2-CB 3.63Å; T158-P216 VanDerWaalsContact OG1-CG 3.24Å; T158-P216 WeakPolarHBondContact OG1-CG 3.33Å
159	G	93.8	Very high	82.3	Confident	3 Å²	3	46.4 Å²	46.4	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.8	-178.2	177.7	0	0	0	0	0	113.8	Q173 D212	G159-Q173 PolarHBondContact N-O 2.76Å; G159-Q173 VanDerWaalsContact N-O 3.09Å; G159-Q173 PolarHBondContact O-N 3.12Å; G159-D212 WeakPolarHBondContact CA-OD1 3.22Å
160	W	91.4	Very high	82.5	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	28%	0.281	C	S	.	.	S	Bend	trans	-115.7	24.3	174.3	-58.6	-95.6	0	0	0	111.6	Q48 H58 E89 H90 R92 S168 P169 L172	Q48-W160 HydrophobicContact CG-CH2 3.67Å; Q48-W160 HydrophobicContact CG-CZ3 3.61Å; H58-W160 AromaticContact CE1-CE3 3.68Å; E89-W160 HydrophobicContact CB-CH2 4.46Å; E89-W160 HydrophobicContact CB-CZ2 4.41Å; E89-W160 HydrophobicContact CG-CZ2 4.24Å; E89-W160 VanDerWaalsContact O-CZ2 3.28Å; E89-W160 WeakPolarHBondContact O-CZ2 3.43Å; H90-W160 PolarHBondContact O-NE1 2.97Å; H90-W160 VanDerWaalsContact O-NE1 3.08Å; R92-W160 VanDerWaalsContact CD-CG 3.47Å; R92-W160 HydrophobicContact CG-CD2 4.24Å; R92-W160 HydrophobicContact CG-CG 4.11Å; R92-W160 VanDerWaalsContact CZ-CB 3.41Å; R92-W160 VanDerWaalsContact NE-CD1 3.33Å; W160-S168 WeakPolarHBondContact O-CB 3.28Å; W160-P169 WeakPolarHBondContact O-CD 3.49Å; W160-L172 HydrophobicContact CD2-CD1 3.82Å; W160-L172 HydrophobicContact CE3-CD1 3.9Å; W160-L172 HydrophobicContact CH2-CD1 3.85Å; W160-L172 HydrophobicContact CZ2-CB 3.8Å; W160-L172 HydrophobicContact CZ2-CD1 3.75Å; W160-L172 HydrophobicContact CZ2-CG 4.23Å; W160-L172 HydrophobicContact CZ3-CD1 3.91Å; W160-L172 VanDerWaalsContact NE1-CA 3.29Å
161	G	81.1	Confident	82.5	Confident	2 Å²	2	48.2 Å²	48.2	2%	0.021	27%	0.269	C	S	.	.	S	Bend	trans	-66.2	163.3	169.9	0	0	0	0	0	112.2	T163 P169 Q210 D212	G161-T163 PolarHBondContact O-N 2.9Å; G161-P169 WeakPolarHBondContact O-CD 3.44Å; G161-Q210 CarbonylContact C-O 3.47Å; G161-Q210 WeakPolarHBondContact CA-O 3.2Å; G161-D212 VanDerWaalsContact CA-OD1 3.23Å; G161-D212 WeakPolarHBondContact CA-OD1 3.42Å; G161-D212 PolarHBondContact N-OD1 2.82Å
162	R	71.1	Confident	82.5	Confident	103 Å²	103	45.3 Å²	45.3	39%	0.389	25%	0.248	S	C	.	.			trans	-60.6	138.5	-173.1	-58.9	176.2	78.5	-178.6	9.5	111.1	G164 T166 C209 Q210	R162-G164 PolarHBondContact O-N 2.82Å; R162-T166 PolarHBondContact NE-O 2.96Å; R162-T166 PolarHBondContact NH2-O 3.26Å; R162-C209 WeakPolarHBondContact O-CB 3.34Å; R162-C209 PolarHBondContact O-SG 3.43Å; R162-Q210 PolarHBondContact N-O 2.04Å
163	T	61.4	Low	82.5	Confident	30 Å²	30	44.3 Å²	44.3	18%	0.184	23%	0.231	C	C	.	.			trans	-99.1	80.3	178.4	46.2	0	0	0	0	110	N36 G161 T166 P169 Q173	N36-T163 HydrophobicContact CB-CG2 4.47Å; N36-T163 VanDerWaalsContact O-CG2 3.24Å; N36-T163 WeakPolarHBondContact O-CG2 3.31Å; G161-T163 PolarHBondContact O-N 2.9Å; T163-T166 PolarHBondContact O-OG1 3.34Å; T163-T166 PolarHBondContact OG1-OG1 3.3Å; T163-T166 VanDerWaalsContact OG1-OG1 3.11Å; T163-P169 HydrophobicContact CG2-CG 4.16Å; T163-Q173 HydrophobicContact CG2-CG 3.95Å
164	G	59.2	Low	82.5	Confident	19 Å²	19	42.3 Å²	42.3	20%	0.196	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-128.9	-175.8	0	0	0	0	0	112.3	N36 R162	N36-G164 WeakPolarHBondContact OD1-CA 3.39Å; N36-G164 PolarHBondContact OD1-N 3.31Å; R162-G164 PolarHBondContact O-N 2.82Å
165	Q	53.4	Low	82.2	Confident	195 Å²	195	39.1 Å²	39.1	91%	0.911	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-2.3	-179.1	-69.1	-171.3	-14.5	0	0	114.3
166	T	59.8	Low	82	Confident	74 Å²	74	39.9 Å²	39.9	45%	0.454	21%	0.211	S	C	.	.	S	Bend	trans	-83	177.7	-174.8	58	0	0	0	0	112.6	R162 T163	R162-T166 PolarHBondContact NE-O 2.96Å; R162-T166 PolarHBondContact NH2-O 3.26Å; T163-T166 PolarHBondContact O-OG1 3.34Å; T163-T166 PolarHBondContact OG1-OG1 3.3Å; T163-T166 VanDerWaalsContact OG1-OG1 3.11Å
167	S	70.4	Confident	81.7	Confident	97 Å²	97	39.6 Å²	39.6	68%	0.678	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-69.1	161.7	169.3	51	0	0	0	0	111.3
168	S	77.8	Confident	81.6	Confident	52 Å²	52	40.8 Å²	40.8	36%	0.364	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-57.6	131.9	174.9	-61.2	0	0	0	0	111.2	W160	W160-S168 WeakPolarHBondContact O-CB 3.28Å
169	P	84.6	Confident	81.6	Confident	18 Å²	18	40.9 Å²	40.9	12%	0.117	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-64.9	149	-176	28.2	-36.9	0	0	0	111.7	R92 W160 G161 T163 Q173	R92-P169 PolarHBondContact NE-O 3.45Å; R92-P169 PolarHBondContact NH2-O 2.84Å; W160-P169 WeakPolarHBondContact O-CD 3.49Å; G161-P169 WeakPolarHBondContact O-CD 3.44Å; T163-P169 HydrophobicContact CG2-CG 4.16Å; P169-Q173 HydrophobicContact CB-CG 3.86Å; P169-Q173 HydrophobicContact CG-CG 3.53Å
170	R	88.6	Confident	81.7	Confident	82 Å²	82	41.9 Å²	41.9	31%	0.309	22%	0.222	S	C	.	.	S	Bend	trans	-69.8	-49.2	174	171.5	179.8	171.8	-178.5	-19.3	111.7	D91 R92 Q93 Y94	D91-R170 WeakPolarHBondContact OD1-CG 3.34Å; D91-R170 IonicContact OD1-CZ 3.72Å; D91-R170 IonicContact OD1-NE 3.65Å; D91-R170 PolarHBondContact OD1-NE 2.82Å; D91-R170 IonicContact OD1-NH2 3.86Å; D91-R170 IonicContact OD2-CZ 3.26Å; D91-R170 VanDerWaalsContact OD2-CZ 3.26Å; D91-R170 IonicContact OD2-NE 2.89Å; D91-R170 PolarHBondContact OD2-NE 2.68Å; D91-R170 IonicContact OD2-NH2 2.69Å; D91-R170 PolarHBondContact OD2-NH2 3.37Å; R92-R170 PolarHBondContact N-O 2.87Å; Q93-R170 HydrophobicContact CB-CG 3.91Å; Q93-R170 VanDerWaalsContact OE1-CD 3.25Å; Y94-R170 VanDerWaalsContact CD2-CZ 3.48Å
171	Y	92.1	Very high	81.9	Confident	83 Å²	83	43 Å²	43	33%	0.325	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-89.7	148.5	-178.3	-56.7	-64	0	0	0	111.4	H90 D91 Q173	H90-Y171 AromaticContact CD2-CD1 3.87Å; H90-Y171 AromaticContact NE2-CD1 3.69Å; H90-Y171 CarbonylContact O-C 3.41Å; H90-Y171 VanDerWaalsContact O-CA 3.3Å; H90-Y171 WeakPolarHBondContact O-CA 3.34Å; D91-Y171 HydrophobicContact CB-CD1 3.95Å; D91-Y171 HydrophobicContact CB-CE1 3.92Å; D91-Y171 WeakPolarHBondContact OD2-CE1 3.49Å; Y171-Q173 PolarHBondContact O-N 3.19Å; Y171-Q173 PolarHBondContact O-NE2 2.66Å
172	L	93.8	Very high	82.5	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.031	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-57.2	127.4	175.4	-179.9	63.7	0	0	0	109.7	A40 W45 Q48 H90 W160	A40-L172 HydrophobicContact CB-CB 4.36Å; A40-L172 HydrophobicContact CB-CD2 4.2Å; A40-L172 HydrophobicContact CB-CG 4.12Å; A40-L172 WeakPolarHBondContact CB-O 3.28Å; A40-L172 PolarHBondContact N-O 3.23Å; W45-L172 HydrophobicContact CB-CD2 4.23Å; Q48-L172 HydrophobicContact CB-CD2 4.33Å; Q48-L172 HydrophobicContact CG-CD1 3.85Å; Q48-L172 HydrophobicContact CG-CD2 4.06Å; H90-L172 PolarHBondContact O-N 2.84Å; W160-L172 HydrophobicContact CD2-CD1 3.82Å; W160-L172 HydrophobicContact CE3-CD1 3.9Å; W160-L172 HydrophobicContact CH2-CD1 3.85Å; W160-L172 HydrophobicContact CZ2-CB 3.8Å; W160-L172 HydrophobicContact CZ2-CD1 3.75Å; W160-L172 HydrophobicContact CZ2-CG 4.23Å; W160-L172 HydrophobicContact CZ3-CD1 3.91Å; W160-L172 VanDerWaalsContact NE1-CA 3.29Å
173	Q	92.1	Very high	83.6	Confident	25 Å²	25	43.6 Å²	43.6	12%	0.117	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	157	174.2	-56.5	-58.7	-71	0	0	110.7	E38 N39 T158 G159 T163 P169 Y171	E38-Q173 CarbonylContact O-C 3.39Å; E38-Q173 VanDerWaalsContact O-CA 3.26Å; E38-Q173 WeakPolarHBondContact O-CA 3.38Å; E38-Q173 PolarHBondContact O-OE1 3.08Å; N39-Q173 PolarHBondContact OD1-NE2 3.39Å; T158-Q173 WeakPolarHBondContact CA-O 3.3Å; T158-Q173 WeakPolarHBondContact CB-O 3.5Å; G159-Q173 PolarHBondContact N-O 2.76Å; G159-Q173 VanDerWaalsContact N-O 3.09Å; G159-Q173 PolarHBondContact O-N 3.12Å; T163-Q173 HydrophobicContact CG2-CG 3.95Å; P169-Q173 HydrophobicContact CB-CG 3.86Å; P169-Q173 HydrophobicContact CG-CG 3.53Å; Y171-Q173 PolarHBondContact O-N 3.19Å; Y171-Q173 PolarHBondContact O-NE2 2.66Å
174	Q	91.6	Very high	85.2	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.7	169.7	67.3	-174.2	26.5	0	0	109.7	Q27 G37 E38 A40 V156 T157 T158	Q27-Q174 PolarHBondContact O-NE2 3.08Å; G37-Q174 WeakPolarHBondContact CA-O 3.42Å; E38-Q174 HydrophobicContact CG-CG 3.6Å; E38-Q174 PolarHBondContact N-O 3.31Å; E38-Q174 PolarHBondContact O-N 2.95Å; E38-Q174 PolarHBondContact OE1-NE2 3.47Å; A40-Q174 HydrophobicContact CB-CB 4.23Å; A40-Q174 HydrophobicContact CB-CG 4.22Å; V156-Q174 HydrophobicContact CG1-CB 4.19Å; T157-Q174 CarbonylContact O-C 3.5Å; T157-Q174 WeakPolarHBondContact O-CA 3.46Å; T158-Q174 HydrophobicContact CG2-CB 3.63Å
175	T	87.7	Confident	86.9	Confident	17 Å²	17	46.3 Å²	46.3	10%	0.104	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	142.4	168.1	-174.6	0	0	0	0	112.1	V156 T157 L177 V206	V156-T175 VanDerWaalsContact CA-O 3.28Å; V156-T175 WeakPolarHBondContact CA-O 3.27Å; T157-T175 HydrophobicContact CG2-CG2 3.47Å; T157-T175 VanDerWaalsContact CG2-CG2 3.47Å; T157-T175 PolarHBondContact N-O 3.17Å; T157-T175 PolarHBondContact O-N 3.19Å; T175-L177 HydrophobicContact CG2-CD2 4.22Å; T175-L177 VanDerWaalsContact O-CD2 3.31Å; T175-L177 WeakPolarHBondContact O-CD2 3.5Å; T175-V206 HydrophobicContact CG2-CG1 3.95Å; T175-V206 WeakPolarHBondContact OG1-CG1 3.48Å
176	S	88.9	Confident	89	Confident	16 Å²	16	41.8 Å²	41.8	11%	0.112	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	129	173.5	167.7	0	0	0	0	110.8	Y31 C155	Y31-S176 WeakPolarHBondContact CE1-OG 3.33Å; C155-S176 CarbonylContact O-C 3.59Å; C155-S176 VanDerWaalsContact O-CA 3.31Å; C155-S176 WeakPolarHBondContact O-CA 3.44Å
177	L	88.4	Confident	90.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.1	179.1	58.4	163.5	0	0	0	111.5	C155 T157 T175 A201 L217 Y246	C155-L177 PolarHBondContact N-O 3.17Å; C155-L177 PolarHBondContact O-N 2.81Å; T157-L177 HydrophobicContact CG2-CD2 3.59Å; T175-L177 HydrophobicContact CG2-CD2 4.22Å; T175-L177 VanDerWaalsContact O-CD2 3.31Å; T175-L177 WeakPolarHBondContact O-CD2 3.5Å; L177-A201 HydrophobicContact CD1-CB 3.34Å; L177-A201 HydrophobicContact CG-CB 3.87Å; L177-L217 HydrophobicContact CD1-CD1 4.33Å; L177-L217 HydrophobicContact CD2-CD1 4.05Å; L177-L217 HydrophobicContact CG-CD1 4.23Å; L177-Y246 WeakPolarHBondContact CD1-OH 2.98Å
178	P	92.4	Very high	91.9	Very high	30 Å²	30	45.6 Å²	45.6	20%	0.195	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	143.5	178	31.7	-33.6	0	0	0	110.7	T153 L180 A201 G202 S204	T153-P178 CarbonylContact O-C 3.49Å; T153-P178 WeakPolarHBondContact O-CA 3.36Å; P178-L180 WeakPolarHBondContact O-CD1 3.34Å; P178-A201 CarbonylContact O-C 3.57Å; P178-A201 WeakPolarHBondContact O-CA 3.42Å; P178-A201 WeakPolarHBondContact O-CB 3.47Å; P178-G202 PolarHBondContact O-N 2.94Å; P178-S204 VanDerWaalsContact CD-OG 3.28Å; P178-S204 WeakPolarHBondContact CD-OG 3.45Å
179	L	94.8	Very high	92.7	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	141.5	164.6	-66.2	-176.9	0	0	0	110.5	I149 G152 T153 C155 I199 A201 L217	I149-L179 HydrophobicContact CB-CD1 3.64Å; I149-L179 HydrophobicContact CG2-CD1 3.42Å; I149-L179 VanDerWaalsContact CG2-CD1 3.42Å; G152-L179 PolarHBondContact N-O 2.81Å; T153-L179 PolarHBondContact O-N 3.29Å; C155-L179 HydrophobicContact CB-CD2 4.44Å; C155-L179 VanDerWaalsContact SG-CG 3.55Å; L179-I199 HydrophobicContact CD1-CD1 4.22Å; L179-I199 HydrophobicContact CD2-CD1 4.06Å; L179-I199 HydrophobicContact CD2-CG1 4.39Å; L179-A201 HydrophobicContact CD2-CB 3.99Å; L179-L217 HydrophobicContact CD2-CD2 3.81Å
180	L	95.4	Very high	93.1	Very high	23 Å²	23	45.4 Å²	45.4	12%	0.12	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	148	172.3	-81.4	71.8	0	0	0	110.1	P178 Q184 C200 G202 P243	P178-L180 WeakPolarHBondContact O-CD1 3.34Å; L180-Q184 HydrophobicContact CB-CB 4.19Å; L180-Q184 HydrophobicContact CD2-CB 4.05Å; L180-Q184 HydrophobicContact CG-CB 4.26Å; L180-C200 HydrophobicContact CB-CB 4.23Å; L180-C200 PolarHBondContact N-O 2.93Å; L180-G202 WeakPolarHBondContact CD1-O 3.48Å; L180-P243 HydrophobicContact CD1-CB 4.3Å; L180-P243 HydrophobicContact CD2-CB 3.56Å; L180-P243 HydrophobicContact CD2-CG 3.87Å
181	S	95.1	Very high	93.2	Very high	26 Å²	26	46.8 Å²	46.8	18%	0.182	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-64.8	154.3	165.4	65.2	0	0	0	0	110.7	S151 A183 Q184 C185	S151-S181 VanDerWaalsContact OG-CA 3.23Å; S151-S181 WeakPolarHBondContact OG-CA 3.26Å; S151-S181 WeakPolarHBondContact OG-CB 3.32Å; S151-S181 PolarHBondContact OG-N 2.92Å; S181-A183 PolarHBondContact O-N 2.83Å; S181-A183 VanDerWaalsContact O-N 3.16Å; S181-Q184 PolarHBondContact O-N 2.65Å; S181-Q184 VanDerWaalsContact O-N 3.16Å; S181-Q184 WeakPolarHBondContact OG-CB 3.31Å; S181-Q184 VanDerWaalsContact OG-CG 3.26Å; S181-Q184 WeakPolarHBondContact OG-CG 3.46Å; S181-Q184 PolarHBondContact OG-N 3.28Å; S181-Q184 VanDerWaalsContact OG-N 3.17Å; S181-Q184 PolarHBondContact OG-OE1 2.94Å; S181-C185 PolarHBondContact O-N 3.14Å
182	P	93.1	Very high	93.2	Very high	50 Å²	50	48.1 Å²	48.1	33%	0.325	27%	0.273	S	S	.	.	H	α-helix	trans	-54.6	-33.5	173	-27.4	35.4	0	0	0	113.3	R186	P182-R186 WeakPolarHBondContact O-CB 3.36Å; P182-R186 WeakPolarHBondContact O-CG 3.35Å; P182-R186 PolarHBondContact O-N 3.01Å; P182-R186 PolarHBondContact O-NE 2.84Å
183	A	95.1	Very high	93.2	Very high	67 Å²	67	54.5 Å²	54.5	55%	0.554	30%	0.297	S	S	*	.	H	α-helix	trans	-67.9	-47.6	177.5	0	0	0	0	0	111.9	S181 C185 R186 N187	S181-A183 PolarHBondContact O-N 2.83Å; S181-A183 VanDerWaalsContact O-N 3.16Å; A183-C185 VanDerWaalsContact C-N 3.3Å; A183-C185 PolarHBondContact O-N 2.76Å; A183-R186 PolarHBondContact O-N 2.91Å; A183-N187 WeakPolarHBondContact O-CB 3Å; A183-N187 PolarHBondContact O-N 3.05Å
184	Q	95.6	Very high	93.4	Very high	105 Å²	105	53.9 Å²	53.9	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-60.9	-41.3	175.8	-72.9	164.3	-51.5	0	0	111.5	L180 S181 N187 Y188	L180-Q184 HydrophobicContact CB-CB 4.19Å; L180-Q184 HydrophobicContact CD2-CB 4.05Å; L180-Q184 HydrophobicContact CG-CB 4.26Å; S181-Q184 PolarHBondContact O-N 2.65Å; S181-Q184 VanDerWaalsContact O-N 3.16Å; S181-Q184 WeakPolarHBondContact OG-CB 3.31Å; S181-Q184 VanDerWaalsContact OG-CG 3.26Å; S181-Q184 WeakPolarHBondContact OG-CG 3.46Å; S181-Q184 PolarHBondContact OG-N 3.28Å; S181-Q184 VanDerWaalsContact OG-N 3.17Å; S181-Q184 PolarHBondContact OG-OE1 2.94Å; Q184-N187 WeakPolarHBondContact O-CB 3.02Å; Q184-N187 PolarHBondContact O-N 2.87Å; Q184-Y188 PolarHBondContact O-N 2.83Å
185	C	95.1	Very high	93.7	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.007	31%	0.307	C	S	.	.	H	α-helix	trans	-66.3	-44	178.5	-166	0	0	0	0	112.4	S181 A183 N187 Y188 W189 I194 C200	S181-C185 PolarHBondContact O-N 3.14Å; A183-C185 VanDerWaalsContact C-N 3.3Å; A183-C185 PolarHBondContact O-N 2.76Å; C185-N187 VanDerWaalsContact C-N 3.3Å; C185-N187 PolarHBondContact O-N 3.5Å; C185-Y188 PolarHBondContact O-N 3.04Å; C185-W189 PolarHBondContact O-N 3.14Å; C185-W189 VanDerWaalsContact SG-CD1 3.58Å; C185-I194 HydrophobicContact CB-CG2 4.36Å; C185-C200 HydrophobicContact CB-CB 3.55Å; C185-C200 WeakPolarHBondContact CB-SG 3.15Å; C185-C200 WeakPolarHBondContact SG-CB 3.12Å; C185-C200 CovalentContact SG-SG 2Å; C185-C200 PolarHBondContact SG-SG 2.79Å
186	R	96.1	Very high	94	Very high	100 Å²	100	59.6 Å²	59.6	38%	0.377	33%	0.325	S	S	.	.	H	α-helix	trans	-63.7	-33.2	174.4	-80	-176.5	-94.6	170	-14.6	113	P182 A183 Y188 G190 T191 I194	P182-R186 WeakPolarHBondContact O-CB 3.36Å; P182-R186 WeakPolarHBondContact O-CG 3.35Å; P182-R186 PolarHBondContact O-N 3.01Å; P182-R186 PolarHBondContact O-NE 2.84Å; A183-R186 PolarHBondContact O-N 2.91Å; R186-Y188 VanDerWaalsContact C-N 3.28Å; R186-Y188 PolarHBondContact O-N 3.1Å; R186-G190 CarbonylContact O-C 3.58Å; R186-G190 WeakPolarHBondContact O-CA 3.38Å; R186-G190 PolarHBondContact O-N 3.1Å; R186-T191 HydrophobicContact CB-CG2 4.21Å; R186-I194 HydrophobicContact CG-CB 3.75Å; R186-I194 HydrophobicContact CG-CG1 4.4Å; R186-I194 HydrophobicContact CG-CG2 4.13Å
187	N	95.9	Very high	94.4	Very high	148 Å²	148	59.1 Å²	59.1	79%	0.791	32%	0.322	S	S	*	.	H	α-helix	trans	-63.3	-36.2	175.9	-173.3	66.1	0	0	0	111.9	A183 Q184 C185	A183-N187 WeakPolarHBondContact O-CB 3Å; A183-N187 PolarHBondContact O-N 3.05Å; Q184-N187 WeakPolarHBondContact O-CB 3.02Å; Q184-N187 PolarHBondContact O-N 2.87Å; C185-N187 VanDerWaalsContact C-N 3.3Å; C185-N187 PolarHBondContact O-N 3.5Å
188	Y	94.9	Very high	94.9	Very high	103 Å²	103	59.3 Å²	59.3	40%	0.404	32%	0.323	S	S	.	.	H	α-helix	trans	-81.1	-49.6	177.9	-172	-85.9	0	0	0	112.5	Q184 C185 R186 A242 P243	Q184-Y188 PolarHBondContact O-N 2.83Å; C185-Y188 PolarHBondContact O-N 3.04Å; R186-Y188 VanDerWaalsContact C-N 3.28Å; R186-Y188 PolarHBondContact O-N 3.1Å; Y188-A242 HydrophobicContact CE1-CB 3.82Å; Y188-A242 HydrophobicContact CE2-CB 4.36Å; Y188-A242 WeakPolarHBondContact OH-CB 3.28Å; Y188-P243 HydrophobicContact CD1-CG 3.99Å; Y188-P243 HydrophobicContact CG-CG 3.94Å
189	W	95.2	Very high	95.1	Very high	37 Å²	37	58.9 Å²	58.9	14%	0.14	32%	0.319	C	S	.	.	H	α-helix	trans	-94	-10.6	-170.3	-70.9	116.7	0	0	0	115	C185 R193 I194 W233 T235 A242 P243	C185-W189 PolarHBondContact O-N 3.14Å; C185-W189 VanDerWaalsContact SG-CD1 3.58Å; W189-R193 WeakPolarHBondContact O-CD 3.19Å; W189-I194 HydrophobicContact CB-CD1 3.75Å; W189-I194 HydrophobicContact CB-CG1 3.66Å; W189-I194 HydrophobicContact CG-CD1 3.98Å; W189-I194 HydrophobicContact CG-CG1 4.34Å; W189-W233 HydrophobicContact CB-CH2 4.25Å; W189-W233 AromaticContact CD2-CH2 3.79Å; W189-W233 HydrophobicContact CD2-CH2 3.79Å; W189-W233 AromaticContact CD2-CZ3 3.57Å; W189-W233 HydrophobicContact CD2-CZ3 3.57Å; W189-W233 AromaticContact CE2-CZ3 3.76Å; W189-W233 HydrophobicContact CE3-CH2 4.08Å; W189-W233 AromaticContact CE3-CZ3 3.61Å; W189-W233 HydrophobicContact CE3-CZ3 3.61Å; W189-W233 AromaticContact CG-CH2 3.9Å; W189-W233 HydrophobicContact CG-CH2 3.9Å; W189-W233 HydrophobicContact CG-CZ3 4.18Å; W189-W233 HydrophobicContact CH2-CE3 4.45Å; W189-W233 AromaticContact CH2-CZ3 3.94Å; W189-W233 HydrophobicContact CH2-CZ3 3.94Å; W189-W233 HydrophobicContact CZ2-CE3 4.46Å; W189-W233 AromaticContact CZ2-CZ3 3.95Å; W189-W233 HydrophobicContact CZ2-CZ3 3.95Å; W189-W233 AromaticContact CZ3-CZ3 3.8Å; W189-W233 HydrophobicContact CZ3-CZ3 3.8Å; W189-T235 HydrophobicContact CH2-CG2 3.52Å; W189-T235 HydrophobicContact CZ2-CG2 4.2Å; W189-T235 HydrophobicContact CZ3-CG2 4.39Å; W189-A242 HydrophobicContact CZ2-CB 4.5Å; W189-P243 VanDerWaalsContact CZ2-O 3.25Å; W189-P243 WeakPolarHBondContact CZ2-O 3.44Å; W189-P243 PolarHBondContact NE1-O 3.35Å
190	G	94.3	Very high	95.2	Very high	28 Å²	28	58.8 Å²	58.8	29%	0.289	32%	0.319	S	S	.	.			trans	91.8	145.8	-172	0	0	0	0	0	112.9	R186 S192 R193	R186-G190 CarbonylContact O-C 3.58Å; R186-G190 WeakPolarHBondContact O-CA 3.38Å; R186-G190 PolarHBondContact O-N 3.1Å; G190-S192 VanDerWaalsContact C-N 3.29Å; G190-S192 PolarHBondContact O-N 2.98Å; G190-R193 PolarHBondContact O-N 3.02Å
191	T	90.5	Very high	95.1	Very high	111 Å²	111	57.7 Å²	57.7	68%	0.681	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-28.3	-176.3	49.7	0	0	0	0	113.8	R186	R186-T191 HydrophobicContact CB-CG2 4.21Å
192	S	90.9	Very high	94.8	Very high	112 Å²	112	56.6 Å²	56.6	78%	0.783	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-17.8	179.3	56.4	0	0	0	0	113.9	G190	G190-S192 VanDerWaalsContact C-N 3.29Å; G190-S192 PolarHBondContact O-N 2.98Å
193	R	93.8	Very high	94.2	Very high	139 Å²	139	56.2 Å²	56.2	53%	0.525	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-30.9	-178	-72.2	-165.9	68.6	155.8	-0	113.8	W189 G190	W189-R193 WeakPolarHBondContact O-CD 3.19Å; G190-R193 PolarHBondContact O-N 3.02Å
194	I	97.1	Very high	93.3	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.062	30%	0.296	C	S	.	.			trans	-100.1	120.2	-177.5	-56	-59.4	0	0	0	109.6	C185 R186 W189 M198 W233 V245	C185-I194 HydrophobicContact CB-CG2 4.36Å; R186-I194 HydrophobicContact CG-CB 3.75Å; R186-I194 HydrophobicContact CG-CG1 4.4Å; R186-I194 HydrophobicContact CG-CG2 4.13Å; W189-I194 HydrophobicContact CB-CD1 3.75Å; W189-I194 HydrophobicContact CB-CG1 3.66Å; W189-I194 HydrophobicContact CG-CD1 3.98Å; W189-I194 HydrophobicContact CG-CG1 4.34Å; I194-M198 HydrophobicContact CD1-SD 4.39Å; I194-W233 HydrophobicContact CD1-CH2 3.89Å; I194-W233 HydrophobicContact CD1-CZ2 3.77Å; I194-V245 HydrophobicContact CD1-CG1 4.32Å; I194-V245 HydrophobicContact CD1-CG2 3.96Å
195	T	96.6	Very high	92.1	Very high	44 Å²	44	50.6 Å²	50.6	27%	0.27	28%	0.276	S	S	.	.			trans	-111.7	172.2	179.9	62.9	0	0	0	0	111.1	V197 M198	T195-V197 PolarHBondContact O-N 2.86Å; T195-V197 WeakPolarHBondContact OG1-CG2 3.28Å; T195-M198 WeakPolarHBondContact O-CB 3.46Å; T195-M198 PolarHBondContact O-N 3.43Å; T195-M198 VanDerWaalsContact O-N 3.08Å
196	D	95.4	Very high	90.8	Very high	94 Å²	94	50.9 Å²	50.9	50%	0.503	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-19	-177.5	-68.3	-36.5	0	0	0	114.3	M198 R248 Y251	D196-M198 PolarHBondContact O-N 3.23Å; D196-R248 WeakPolarHBondContact O-CD 3.27Å; D196-R248 VanDerWaalsContact O-CZ 3.27Å; D196-R248 PolarHBondContact O-NE 3.08Å; D196-R248 PolarHBondContact O-NH1 3.34Å; D196-Y251 HydrophobicContact CB-CD2 4.19Å; D196-Y251 HydrophobicContact CB-CE2 3.79Å; D196-Y251 WeakPolarHBondContact O-CD2 3.38Å
197	V	97.3	Very high	89.3	Confident	6 Å²	6	47 Å²	47	4%	0.036	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-4.1	172.7	-49.4	0	0	0	0	112.3	N119 Y120 T195 R248 Y251	N119-V197 WeakPolarHBondContact OD1-CG2 3.07Å; Y120-V197 HydrophobicContact CD1-CG1 4.07Å; Y120-V197 HydrophobicContact CE1-CG1 3.66Å; Y120-V197 HydrophobicContact CE2-CG1 4.15Å; Y120-V197 HydrophobicContact CG-CG1 4.49Å; T195-V197 PolarHBondContact O-N 2.86Å; T195-V197 WeakPolarHBondContact OG1-CG2 3.28Å; V197-R248 VanDerWaalsContact O-CB 3.23Å; V197-R248 WeakPolarHBondContact O-CB 3.01Å; V197-R248 PolarHBondContact O-N 2.93Å; V197-Y251 HydrophobicContact CB-CD1 4.09Å; V197-Y251 HydrophobicContact CB-CE1 4.37Å; V197-Y251 HydrophobicContact CG1-CD1 3.55Å; V197-Y251 HydrophobicContact CG1-CE1 3.36Å; V197-Y251 HydrophobicContact CG1-CG 4.3Å
198	M	97.9	Very high	88	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.02	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	147.1	-177.6	-62.7	177	178.4	0	0	110.9	T117 L118 N119 I194 T195 D196 W233 V245 Y246 R248	T117-M198 WeakPolarHBondContact O-CE 3.11Å; L118-M198 WeakPolarHBondContact O-CE 3.35Å; N119-M198 HydrophobicContact CB-CE 4.49Å; I194-M198 HydrophobicContact CD1-SD 4.39Å; T195-M198 WeakPolarHBondContact O-CB 3.46Å; T195-M198 PolarHBondContact O-N 3.43Å; T195-M198 VanDerWaalsContact O-N 3.08Å; D196-M198 PolarHBondContact O-N 3.23Å; M198-W233 HydrophobicContact SD-CZ2 4.22Å; M198-V245 HydrophobicContact CB-CG1 3.85Å; M198-V245 HydrophobicContact CG-CG1 4.02Å; M198-V245 HydrophobicContact SD-CG1 3.83Å; M198-Y246 CarbonylContact C-O 3.54Å; M198-Y246 VanDerWaalsContact CA-O 3.32Å; M198-Y246 WeakPolarHBondContact CA-O 3.5Å; M198-R248 VanDerWaalsContact O-CZ 3.23Å; M198-R248 PolarHBondContact O-NE 3.42Å; M198-R248 PolarHBondContact O-NH2 2.8Å
199	I	96.9	Very high	87.1	Confident	22 Å²	22	36.1 Å²	36.1	11%	0.113	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149	169.6	-169	168.5	0	0	0	108.6	L179 Y246 R248	L179-I199 HydrophobicContact CD1-CD1 4.22Å; L179-I199 HydrophobicContact CD2-CD1 4.06Å; L179-I199 HydrophobicContact CD2-CG1 4.39Å; I199-Y246 PolarHBondContact N-O 3.14Å; I199-Y246 PolarHBondContact O-N 3.13Å; I199-R248 HydrophobicContact CB-CB 4.08Å; I199-R248 HydrophobicContact CB-CG 4.1Å; I199-R248 HydrophobicContact CG2-CB 4.15Å; I199-R248 HydrophobicContact CG2-CG 4.37Å
200	C	96	Very high	85.5	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.02	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147	-175.8	-47	0	0	0	0	110.5	L180 C185 P243 A244	L180-C200 HydrophobicContact CB-CB 4.23Å; L180-C200 PolarHBondContact N-O 2.93Å; C185-C200 HydrophobicContact CB-CB 3.55Å; C185-C200 WeakPolarHBondContact CB-SG 3.15Å; C185-C200 WeakPolarHBondContact SG-CB 3.12Å; C185-C200 CovalentContact SG-SG 2Å; C185-C200 PolarHBondContact SG-SG 2.79Å; C200-P243 HydrophobicContact CB-CB 4.4Å; C200-A244 VanDerWaalsContact CA-O 3.22Å; C200-A244 WeakPolarHBondContact CA-O 2.97Å
201	A	93.6	Very high	84.2	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	154.6	177.6	0	0	0	0	0	109.7	L177 P178 L179 L217 P243 A244 Y246	L177-A201 HydrophobicContact CD1-CB 3.34Å; L177-A201 HydrophobicContact CG-CB 3.87Å; P178-A201 CarbonylContact O-C 3.57Å; P178-A201 WeakPolarHBondContact O-CA 3.42Å; P178-A201 WeakPolarHBondContact O-CB 3.47Å; L179-A201 HydrophobicContact CD2-CB 3.99Å; A201-L217 HydrophobicContact CB-CD1 4.24Å; A201-L217 HydrophobicContact CB-CD2 3.99Å; A201-P243 CarbonylContact O-C 3.48Å; A201-P243 WeakPolarHBondContact O-CA 3.34Å; A201-A244 PolarHBondContact N-O 3.47Å; A201-A244 VanDerWaalsContact N-O 3.1Å; A201-A244 PolarHBondContact O-N 3.06Å; A201-Y246 HydrophobicContact CB-CD2 4.42Å; A201-Y246 HydrophobicContact CB-CE2 3.77Å
202	G	89.3	Confident	83.8	Confident	2 Å²	2	32.7 Å²	32.7	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	109.6	-135.5	175.8	0	0	0	0	0	113.2	P178 L180 S204	P178-G202 PolarHBondContact O-N 2.94Å; L180-G202 WeakPolarHBondContact CD1-O 3.48Å; G202-S204 PolarHBondContact O-N 3.25Å
203	A	81.6	Confident	84	Confident	43 Å²	43	28.4 Å²	28.4	36%	0.355	16%	0.162	S	C	.	.			trans	57.3	26.9	-170.7	0	0	0	0	0	114.1	Y241 P243	A203-Y241 WeakPolarHBondContact CB-O 3.2Å; A203-P243 HydrophobicContact CB-CB 4.2Å; A203-P243 HydrophobicContact CB-CG 4.45Å
204	S	76.2	Confident	84.2	Confident	48 Å²	48	21.8 Å²	21.8	34%	0.336	14%	0.137	S	C	.	.	S	Bend	trans	-124.6	25.7	-173.3	64	0	0	0	0	113.2	P178 G202	P178-S204 VanDerWaalsContact CD-OG 3.28Å; P178-S204 WeakPolarHBondContact CD-OG 3.45Å; G202-S204 PolarHBondContact O-N 3.25Å
205	G	69.8	Low	84.2	Confident	6 Å²	6	21.2 Å²	21.2	6%	0.062	13%	0.134	C	C	.	.	S	Bend	trans	83.7	11.7	-175	0	0	0	0	0	113.8	V240	G205-V240 VanDerWaalsContact C-CB 3.5Å; G205-V240 CarbonylContact C-O 3.58Å; G205-V240 WeakPolarHBondContact CA-O 3.44Å; G205-V240 PolarHBondContact N-O 3.48Å; G205-V240 VanDerWaalsContact N-O 3.1Å
206	V	67.1	Low	84.3	Confident	7 Å²	7	19.1 Å²	19.1	4%	0.042	12%	0.121	C	C	.	.			trans	-145.5	147.9	171	-143.2	0	0	0	0	110.6	I34 T175 V240	I34-V206 WeakPolarHBondContact O-CG2 3.32Å; T175-V206 HydrophobicContact CG2-CG1 3.95Å; T175-V206 WeakPolarHBondContact OG1-CG1 3.48Å; V206-V240 PolarHBondContact N-O 1.99Å; V206-V240 VanDerWaalsContact N-O 3.1Å
207	S	65.4	Low	84.4	Confident	18 Å²	18	14.7 Å²	14.7	13%	0.126	10%	0.097	C	C	.	.			trans	-153.4	156.5	179.5	-165.5	0	0	0	0	111.2	A242	S207-A242 PolarHBondContact OG-O 2.77Å
208	S	67.6	Low	84.4	Confident	9 Å²	9	14.4 Å²	14.4	6%	0.063	10%	0.095	C	C	.	.			trans	-75.3	153.5	166.5	57.8	0	0	0	0	110.7	A244	S208-A244 WeakPolarHBondContact OG-CB 3.47Å
209	C	75.6	Confident	84.3	Confident	13 Å²	13	14.4 Å²	14.4	9%	0.088	10%	0.095	C	C	.	.			trans	-138.4	-175	-171.6	-172	0	0	0	0	112.4	R162 G211 D212 C238	R162-C209 WeakPolarHBondContact O-CB 3.34Å; R162-C209 PolarHBondContact O-SG 3.43Å; C209-G211 PolarHBondContact O-N 3.27Å; C209-D212 PolarHBondContact N-OD2 2.83Å; C209-D212 WeakPolarHBondContact O-CB 3.5Å; C209-D212 PolarHBondContact O-N 2.77Å; C209-D212 VanDerWaalsContact O-N 3.08Å; C209-C238 VanDerWaalsContact CA-SG 3.5Å; C209-C238 HydrophobicContact CB-CB 3.7Å; C209-C238 WeakPolarHBondContact CB-SG 3.43Å; C209-C238 WeakPolarHBondContact SG-CB 3.49Å; C209-C238 CovalentContact SG-SG 1.99Å; C209-C238 PolarHBondContact SG-SG 2.82Å
210	Q	63.3	Low	84.2	Confident	72 Å²	72	17.6 Å²	17.6	34%	0.336	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	131.5	178.9	-62.4	92.5	25.5	0	0	111.2	G161 R162 S236 C238	G161-Q210 CarbonylContact C-O 3.47Å; G161-Q210 WeakPolarHBondContact CA-O 3.2Å; R162-Q210 PolarHBondContact N-O 2.04Å; Q210-S236 PolarHBondContact NE2-O 3.35Å; Q210-C238 VanDerWaalsContact CD-SG 3.55Å; Q210-C238 PolarHBondContact NE2-SG 3.42Å; Q210-C238 PolarHBondContact OE1-SG 2.59Å
211	G	66.2	Low	84	Confident	17 Å²	17	20.6 Å²	20.6	18%	0.175	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-14.6	-175.2	0	0	0	0	0	113.8	H58 C209 S213	H58-G211 PolarHBondContact NE2-O 3.23Å; C209-G211 PolarHBondContact O-N 3.27Å; G211-S213 VanDerWaalsContact C-N 3.33Å
212	D	83.2	Confident	83.9	Confident	15 Å²	15	26.4 Å²	26.4	8%	0.08	17%	0.171	C	C	.	.			trans	-84.5	-10.5	171.4	-61.5	-46.1	0	0	0	112.8	G159 G161 C209 G214 G215 V231	G159-D212 WeakPolarHBondContact CA-OD1 3.22Å; G161-D212 VanDerWaalsContact CA-OD1 3.23Å; G161-D212 WeakPolarHBondContact CA-OD1 3.42Å; G161-D212 PolarHBondContact N-OD1 2.82Å; C209-D212 PolarHBondContact N-OD2 2.83Å; C209-D212 WeakPolarHBondContact O-CB 3.5Å; C209-D212 PolarHBondContact O-N 2.77Å; C209-D212 VanDerWaalsContact O-N 3.08Å; D212-G214 PolarHBondContact O-N 2.71Å; D212-G215 WeakPolarHBondContact O-CA 3.28Å; D212-G215 PolarHBondContact O-N 2.84Å; D212-V231 HydrophobicContact CB-CG1 4.13Å; D212-V231 HydrophobicContact CB-CG2 4.36Å; D212-V231 VanDerWaalsContact O-CB 3.27Å; D212-V231 WeakPolarHBondContact O-CB 3.27Å; D212-V231 WeakPolarHBondContact O-CG2 3.24Å
213	S	93.6	Very high	84	Confident	23 Å²	23	28.1 Å²	28.1	16%	0.161	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	130.3	179.9	-74.7	0	0	0	0	112.6	C60 G61 H75 G211 G215	C60-S213 CarbonylContact C-O 3.59Å; C60-S213 WeakPolarHBondContact CB-O 3.31Å; C60-S213 VanDerWaalsContact SG-CB 3.59Å; G61-S213 PolarHBondContact N-O 3.34Å; H75-S213 PolarHBondContact CE1-OG 3.41Å; H75-S213 WeakPolarHBondContact NE2-CB 3.31Å; H75-S213 PolarHBondContact NE2-OG 2.96Å; G211-S213 VanDerWaalsContact C-N 3.33Å; S213-G215 PolarHBondContact O-N 3.2Å
214	G	98	Very high	84.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-10.6	-175.3	0	0	0	0	0	115.3	G61 G62 T72 D212 V231	G61-G214 CarbonylContact C-O 3.49Å; G61-G214 CarbonylContact O-C 3.52Å; G62-G214 VanDerWaalsContact CA-O 3.26Å; G62-G214 WeakPolarHBondContact CA-O 3.23Å; T72-G214 WeakPolarHBondContact OG1-CA 2.98Å; D212-G214 PolarHBondContact O-N 2.71Å; G214-V231 PolarHBondContact N-O 3.34Å
215	G	97.7	Very high	85.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.171	C	C	.	.			trans	-66.6	164.6	176.1	0	0	0	0	0	113.6	D212 S213 I230 V231	D212-G215 WeakPolarHBondContact O-CA 3.28Å; D212-G215 PolarHBondContact O-N 2.84Å; S213-G215 PolarHBondContact O-N 3.2Å; G215-I230 WeakPolarHBondContact O-CA 3.29Å; G215-V231 WeakPolarHBondContact O-CG2 3.49Å; G215-V231 PolarHBondContact O-N 2.98Å
216	P	98.3	Very high	87.1	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	143.3	-176.1	26.8	-31.3	0	0	0	113.4	Q48 S63 T157 T158 V218 L227	Q48-P216 VanDerWaalsContact OE1-CD 3.27Å; S63-P216 WeakPolarHBondContact OG-CB 3.32Å; T157-P216 VanDerWaalsContact CA-O 3.3Å; T157-P216 WeakPolarHBondContact CA-O 3.32Å; T157-P216 PolarHBondContact OG1-O 3.33Å; T157-P216 VanDerWaalsContact OG1-O 3.08Å; T158-P216 VanDerWaalsContact OG1-CG 3.24Å; T158-P216 WeakPolarHBondContact OG1-CG 3.33Å; P216-V218 HydrophobicContact CB-CG1 4Å; P216-L227 HydrophobicContact CB-CD1 3.55Å
217	L	97.6	Very high	88.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	109.6	149.5	178.9	71.2	0	0	0	108.1	C155 V156 L177 L179 A201 A228 G229 Y246	C155-L217 HydrophobicContact CB-CD1 3.79Å; C155-L217 HydrophobicContact CB-CG 4.18Å; V156-L217 WeakPolarHBondContact O-CA 3.23Å; L177-L217 HydrophobicContact CD1-CD1 4.33Å; L177-L217 HydrophobicContact CD2-CD1 4.05Å; L177-L217 HydrophobicContact CG-CD1 4.23Å; L179-L217 HydrophobicContact CD2-CD2 3.81Å; A201-L217 HydrophobicContact CB-CD1 4.24Å; A201-L217 HydrophobicContact CB-CD2 3.99Å; L217-A228 PolarHBondContact O-N 2.73Å; L217-G229 PolarHBondContact N-O 2.89Å; L217-G229 PolarHBondContact O-N 3.21Å; L217-G229 VanDerWaalsContact O-N 3.12Å; L217-Y246 HydrophobicContact CB-CD1 3.6Å; L217-Y246 HydrophobicContact CB-CE1 3.63Å; L217-Y246 HydrophobicContact CB-CG 4.33Å; L217-Y246 HydrophobicContact CD1-CE1 4.21Å; L217-Y246 HydrophobicContact CD2-CD1 3.99Å; L217-Y246 HydrophobicContact CD2-CD2 3.93Å; L217-Y246 HydrophobicContact CD2-CE1 4.13Å; L217-Y246 HydrophobicContact CD2-CE2 4.09Å; L217-Y246 HydrophobicContact CD2-CG 3.92Å; L217-Y246 HydrophobicContact CG-CD1 4.33Å; L217-Y246 HydrophobicContact CG-CE1 4.21Å
218	V	97.9	Very high	90.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.3	-176.8	-71.3	0	0	0	0	112.1	W45 W47 V140 C155 V156 P216 W225 Y226 L227	W45-V218 HydrophobicContact CE3-CG2 4.29Å; W45-V218 HydrophobicContact CH2-CG2 4.34Å; W45-V218 HydrophobicContact CZ3-CG2 3.7Å; W47-V218 HydrophobicContact CZ2-CG1 4.39Å; W47-V218 HydrophobicContact CZ2-CG2 4.39Å; V140-V218 HydrophobicContact CG2-CG1 3.64Å; C155-V218 CarbonylContact C-O 3.43Å; C155-V218 VanDerWaalsContact CA-O 3.28Å; C155-V218 WeakPolarHBondContact CA-O 3.38Å; C155-V218 VanDerWaalsContact CB-O 3.24Å; C155-V218 WeakPolarHBondContact CB-O 3.24Å; V156-V218 HydrophobicContact CB-CG2 4.23Å; V156-V218 PolarHBondContact N-O 3.05Å; V156-V218 WeakPolarHBondContact O-CG2 3.47Å; V156-V218 PolarHBondContact O-N 3.16Å; P216-V218 HydrophobicContact CB-CG1 4Å; V218-W225 HydrophobicContact CB-CE3 3.85Å; V218-W225 HydrophobicContact CG2-CD2 4.42Å; V218-W225 HydrophobicContact CG2-CE3 3.57Å; V218-W225 HydrophobicContact CG2-CZ3 4.01Å; V218-Y226 CarbonylContact C-O 3.6Å; V218-Y226 WeakPolarHBondContact CA-O 2.97Å; V218-L227 HydrophobicContact CG1-CB 4.49Å; V218-L227 HydrophobicContact CG1-CD1 4.06Å
219	C	96.1	Very high	91.6	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.027	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.9	176.8	-49.9	0	0	0	0	108.8	I149 C155 Y226 A228	I149-C219 HydrophobicContact CD1-CB 3.52Å; I149-C219 WeakPolarHBondContact CD1-SG 3.28Å; C155-C219 HydrophobicContact CB-CB 4.05Å; C155-C219 WeakPolarHBondContact CB-SG 3.23Å; C155-C219 WeakPolarHBondContact SG-CB 3.24Å; C155-C219 CovalentContact SG-SG 2.03Å; C155-C219 PolarHBondContact SG-SG 3.34Å; C219-Y226 PolarHBondContact N-O 3.29Å; C219-Y226 PolarHBondContact O-N 2.78Å; C219-A228 WeakPolarHBondContact SG-CB 3.44Å
220	E	94.4	Very high	92.7	Very high	90 Å²	90	27.9 Å²	27.9	42%	0.421	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	140.8	-178.7	-173.5	-84	152.1	0	0	110.6	S222 G223 V224 W225	E220-S222 PolarHBondContact OE1-N 3.47Å; E220-G223 VanDerWaalsContact OE1-CA 3.28Å; E220-G223 WeakPolarHBondContact OE1-CA 3.42Å; E220-G223 PolarHBondContact OE1-N 3.06Å; E220-V224 WeakPolarHBondContact CA-O 3.41Å; E220-W225 HydrophobicContact CB-CD2 3.87Å; E220-W225 HydrophobicContact CB-CE3 3.79Å; E220-W225 HydrophobicContact CB-CH2 3.86Å; E220-W225 HydrophobicContact CB-CZ2 3.93Å; E220-W225 HydrophobicContact CB-CZ3 3.8Å; E220-W225 HydrophobicContact CG-CD2 4.29Å; E220-W225 HydrophobicContact CG-CZ2 4.19Å
221	S	92.4	Very high	94.3	Very high	66 Å²	66	24.6 Å²	24.6	46%	0.462	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	119.2	171	-174.3	0	0	0	0	109.2	G223 V224	S221-G223 VanDerWaalsContact C-N 3.29Å; S221-G223 PolarHBondContact O-N 2.95Å; S221-V224 PolarHBondContact N-O 2.84Å; S221-V224 PolarHBondContact O-N 2.94Å; S221-V224 VanDerWaalsContact O-N 3.08Å
222	S	91.2	Very high	95.8	Very high	121 Å²	121	24.1 Å²	24.1	85%	0.846	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	40.7	175	-59.2	0	0	0	0	114.3	E220	E220-S222 PolarHBondContact OE1-N 3.47Å
223	G	91.8	Very high	96.3	Very high	39 Å²	39	24.7 Å²	24.7	40%	0.402	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	0	178.8	0	0	0	0	0	115	E220 S221	E220-G223 VanDerWaalsContact OE1-CA 3.28Å; E220-G223 WeakPolarHBondContact OE1-CA 3.42Å; E220-G223 PolarHBondContact OE1-N 3.06Å; S221-G223 VanDerWaalsContact C-N 3.29Å; S221-G223 PolarHBondContact O-N 2.95Å
224	V	96	Very high	96.2	Very high	31 Å²	31	25 Å²	25	19%	0.188	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.8	-175.5	-174.7	0	0	0	0	110.6	V21 C141 E220 S221 Y226	V21-V224 HydrophobicContact CG2-CG2 4.01Å; C141-V224 HydrophobicContact CB-CG1 4.29Å; C141-V224 WeakPolarHBondContact SG-CG1 3.06Å; E220-V224 WeakPolarHBondContact CA-O 3.41Å; S221-V224 PolarHBondContact N-O 2.84Å; S221-V224 PolarHBondContact O-N 2.94Å; S221-V224 VanDerWaalsContact O-N 3.08Å; V224-Y226 HydrophobicContact CB-CD2 4.49Å; V224-Y226 HydrophobicContact CB-CE2 3.68Å; V224-Y226 HydrophobicContact CG1-CD2 4.28Å; V224-Y226 HydrophobicContact CG1-CE1 4.33Å; V224-Y226 HydrophobicContact CG1-CE2 3.64Å; V224-Y226 WeakPolarHBondContact O-CD2 3.42Å; V224-Y226 WeakPolarHBondContact O-CE2 3.15Å
225	W	97.6	Very high	95.5	Very high	32 Å²	32	26.1 Å²	26.1	12%	0.121	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.9	176.5	-67.8	89.3	0	0	0	111.6	G20 P26 W45 W47 C141 V156 V218 E220	G20-W225 VanDerWaalsContact CA-O 3.3Å; G20-W225 WeakPolarHBondContact CA-O 3.05Å; G20-W225 WeakPolarHBondContact O-CB 3.21Å; G20-W225 PolarHBondContact O-N 3.09Å; P26-W225 HydrophobicContact CG-CZ2 3.89Å; W45-W225 HydrophobicContact CH2-CD2 4.26Å; W45-W225 HydrophobicContact CH2-CE3 4.17Å; W45-W225 AromaticContact CH2-CH2 3.64Å; W45-W225 HydrophobicContact CH2-CH2 3.64Å; W45-W225 AromaticContact CH2-CZ2 3.72Å; W45-W225 HydrophobicContact CH2-CZ2 3.72Å; W45-W225 AromaticContact CH2-CZ3 3.86Å; W45-W225 HydrophobicContact CH2-CZ3 3.86Å; W45-W225 AromaticContact CZ3-CD2 3.83Å; W45-W225 HydrophobicContact CZ3-CD2 3.83Å; W45-W225 AromaticContact CZ3-CE2 3.92Å; W45-W225 AromaticContact CZ3-CE3 3.92Å; W45-W225 HydrophobicContact CZ3-CE3 3.92Å; W45-W225 HydrophobicContact CZ3-CG 4.43Å; W45-W225 HydrophobicContact CZ3-CH2 4.2Å; W45-W225 HydrophobicContact CZ3-CZ2 4.11Å; W45-W225 HydrophobicContact CZ3-CZ3 4.1Å; W47-W225 HydrophobicContact CH2-CB 3.43Å; W47-W225 VanDerWaalsContact CH2-CB 3.43Å; W47-W225 AromaticContact CH2-CD1 3.74Å; W47-W225 AromaticContact CH2-CG 3.62Å; W47-W225 HydrophobicContact CH2-CG 3.62Å; W47-W225 HydrophobicContact CZ2-CB 3.63Å; W47-W225 AromaticContact CZ2-CG 3.89Å; W47-W225 HydrophobicContact CZ2-CG 3.89Å; W47-W225 HydrophobicContact CZ3-CB 4.4Å; C141-W225 WeakPolarHBondContact CB-O 3.47Å; C141-W225 PolarHBondContact N-O 2.96Å; V156-W225 HydrophobicContact CB-CH2 4.43Å; V156-W225 HydrophobicContact CB-CZ3 4.08Å; V156-W225 HydrophobicContact CG2-CH2 3.73Å; V156-W225 HydrophobicContact CG2-CZ3 3.77Å; V218-W225 HydrophobicContact CB-CE3 3.85Å; V218-W225 HydrophobicContact CG2-CD2 4.42Å; V218-W225 HydrophobicContact CG2-CE3 3.57Å; V218-W225 HydrophobicContact CG2-CZ3 4.01Å; E220-W225 HydrophobicContact CB-CD2 3.87Å; E220-W225 HydrophobicContact CB-CE3 3.79Å; E220-W225 HydrophobicContact CB-CH2 3.86Å; E220-W225 HydrophobicContact CB-CZ2 3.93Å; E220-W225 HydrophobicContact CB-CZ3 3.8Å; E220-W225 HydrophobicContact CG-CD2 4.29Å; E220-W225 HydrophobicContact CG-CZ2 4.19Å
226	Y	98.2	Very high	94.7	Very high	75 Å²	75	31.3 Å²	31.3	29%	0.294	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.5	178.5	-63.1	-93.5	0	0	0	110.6	C141 L143 V218 C219 V224 A228	C141-Y226 HydrophobicContact CB-CD1 3.46Å; C141-Y226 VanDerWaalsContact CB-CD1 3.46Å; C141-Y226 HydrophobicContact CB-CE1 3.68Å; C141-Y226 HydrophobicContact CB-CG 4.14Å; C141-Y226 CarbonylContact O-C 3.47Å; C141-Y226 VanDerWaalsContact O-CA 3.32Å; C141-Y226 WeakPolarHBondContact O-CA 3.07Å; L143-Y226 HydrophobicContact CD1-CG 4.46Å; V218-Y226 CarbonylContact C-O 3.6Å; V218-Y226 WeakPolarHBondContact CA-O 2.97Å; C219-Y226 PolarHBondContact N-O 3.29Å; C219-Y226 PolarHBondContact O-N 2.78Å; V224-Y226 HydrophobicContact CB-CD2 4.49Å; V224-Y226 HydrophobicContact CB-CE2 3.68Å; V224-Y226 HydrophobicContact CG1-CD2 4.28Å; V224-Y226 HydrophobicContact CG1-CE1 4.33Å; V224-Y226 HydrophobicContact CG1-CE2 3.64Å; V224-Y226 WeakPolarHBondContact O-CD2 3.42Å; V224-Y226 WeakPolarHBondContact O-CE2 3.15Å; Y226-A228 PolarHBondContact O-N 3.47Å; Y226-A228 VanDerWaalsContact O-N 3.13Å
227	L	98.6	Very high	93.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	107.3	169.6	-169.8	72.6	0	0	0	109	V71 V140 C141 L142 L143 P216 V218 G229 I230 V249	V71-L227 HydrophobicContact CG1-CD2 3.53Å; V140-L227 HydrophobicContact CG1-CB 3.8Å; V140-L227 HydrophobicContact CG1-CD2 4.29Å; V140-L227 HydrophobicContact CG1-CG 4.44Å; V140-L227 HydrophobicContact CG2-CB 4.06Å; C141-L227 PolarHBondContact O-N 2.82Å; L142-L227 HydrophobicContact CD2-CB 4.33Å; L142-L227 HydrophobicContact CD2-CD2 3.92Å; L143-L227 WeakPolarHBondContact CB-O 3.47Å; L143-L227 PolarHBondContact N-O 2.83Å; P216-L227 HydrophobicContact CB-CD1 3.55Å; V218-L227 HydrophobicContact CG1-CB 4.49Å; V218-L227 HydrophobicContact CG1-CD1 4.06Å; L227-G229 WeakPolarHBondContact CD1-O 3.47Å; L227-I230 HydrophobicContact CD2-CG1 4.31Å; L227-V249 HydrophobicContact CD2-CG2 3.94Å; L227-V249 HydrophobicContact CG-CG2 3.93Å; L227-V249 WeakPolarHBondContact O-CB 3.45Å; L227-V249 WeakPolarHBondContact O-CG1 3.46Å
228	A	98.1	Very high	92.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-31.2	179	0	0	0	0	0	111.8	L143 I149 L217 C219 Y226 V249	L143-A228 HydrophobicContact CD2-CB 4.24Å; I149-A228 HydrophobicContact CD1-CB 3.66Å; L217-A228 PolarHBondContact O-N 2.73Å; C219-A228 WeakPolarHBondContact SG-CB 3.44Å; Y226-A228 PolarHBondContact O-N 3.47Å; Y226-A228 VanDerWaalsContact O-N 3.13Å; A228-V249 PolarHBondContact O-N 2.78Å
229	G	98.1	Very high	92.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	162.6	-178.7	0	0	0	0	0	113.5	L217 L227 A247	L217-G229 PolarHBondContact N-O 2.89Å; L217-G229 PolarHBondContact O-N 3.21Å; L217-G229 VanDerWaalsContact O-N 3.12Å; L227-G229 WeakPolarHBondContact CD1-O 3.47Å; G229-A247 CarbonylContact C-O 3.6Å; G229-A247 VanDerWaalsContact CA-O 3.22Å; G229-A247 WeakPolarHBondContact CA-O 3.39Å
230	I	98.7	Very high	91.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124	173.8	-58.2	154.8	0	0	0	107.2	V71 A73 I122 G215 L227 S232 Y246 A247 V249	V71-I230 HydrophobicContact CG2-CD1 3.51Å; V71-I230 HydrophobicContact CG2-CG1 4.37Å; A73-I230 HydrophobicContact CB-CG2 4.29Å; I122-I230 HydrophobicContact CB-CD1 4.38Å; I122-I230 HydrophobicContact CD1-CD1 3.59Å; I122-I230 HydrophobicContact CG1-CD1 3.73Å; G215-I230 WeakPolarHBondContact O-CA 3.29Å; L227-I230 HydrophobicContact CD2-CG1 4.31Å; I230-S232 PolarHBondContact O-N 3.28Å; I230-Y246 CarbonylContact O-C 3.32Å; I230-Y246 WeakPolarHBondContact O-CA 3.48Å; I230-Y246 WeakPolarHBondContact O-CB 3.48Å; I230-A247 HydrophobicContact CB-CB 4.26Å; I230-A247 HydrophobicContact CD1-CB 4.46Å; I230-A247 PolarHBondContact N-O 2.93Å; I230-A247 PolarHBondContact O-N 3.41Å; I230-V249 HydrophobicContact CD1-CG2 4Å; I230-V249 HydrophobicContact CG1-CG2 3.96Å
231	V	97.5	Very high	91	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.024	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	122.9	-176.3	178.2	0	0	0	0	109.7	D212 G214 G215 Y246	D212-V231 HydrophobicContact CB-CG1 4.13Å; D212-V231 HydrophobicContact CB-CG2 4.36Å; D212-V231 VanDerWaalsContact O-CB 3.27Å; D212-V231 WeakPolarHBondContact O-CB 3.27Å; D212-V231 WeakPolarHBondContact O-CG2 3.24Å; G214-V231 PolarHBondContact N-O 3.34Å; G215-V231 WeakPolarHBondContact O-CG2 3.49Å; G215-V231 PolarHBondContact O-N 2.98Å; V231-Y246 HydrophobicContact CB-CD1 4.29Å; V231-Y246 HydrophobicContact CB-CE1 4.24Å; V231-Y246 HydrophobicContact CG2-CD1 3.93Å; V231-Y246 HydrophobicContact CG2-CE1 3.49Å; V231-Y246 VanDerWaalsContact CG2-CE1 3.49Å
232	S	96.8	Very high	90.8	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	-62.9	-174.6	-179.1	0	0	0	0	111.3	H75 D121 I230 V245	H75-S232 PolarHBondContact CE1-O 3.15Å; D121-S232 WeakPolarHBondContact OD2-CB 3.23Å; D121-S232 PolarHBondContact OD2-OG 3.38Å; I230-S232 PolarHBondContact O-N 3.28Å; S232-V245 WeakPolarHBondContact CB-O 3.36Å; S232-V245 PolarHBondContact N-O 2.81Å
233	W	93.8	Very high	90.9	Very high	27 Å²	27	34.8 Å²	34.8	10%	0.102	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	167.9	-179.5	60	-87.1	0	0	0	113.2	L118 W189 I194 M198 V245	L118-W233 HydrophobicContact CD1-CB 3.56Å; L118-W233 HydrophobicContact CD1-CG 3.71Å; W189-W233 HydrophobicContact CB-CH2 4.25Å; W189-W233 AromaticContact CD2-CH2 3.79Å; W189-W233 HydrophobicContact CD2-CH2 3.79Å; W189-W233 AromaticContact CD2-CZ3 3.57Å; W189-W233 HydrophobicContact CD2-CZ3 3.57Å; W189-W233 AromaticContact CE2-CZ3 3.76Å; W189-W233 HydrophobicContact CE3-CH2 4.08Å; W189-W233 AromaticContact CE3-CZ3 3.61Å; W189-W233 HydrophobicContact CE3-CZ3 3.61Å; W189-W233 AromaticContact CG-CH2 3.9Å; W189-W233 HydrophobicContact CG-CH2 3.9Å; W189-W233 HydrophobicContact CG-CZ3 4.18Å; W189-W233 HydrophobicContact CH2-CE3 4.45Å; W189-W233 AromaticContact CH2-CZ3 3.94Å; W189-W233 HydrophobicContact CH2-CZ3 3.94Å; W189-W233 HydrophobicContact CZ2-CE3 4.46Å; W189-W233 AromaticContact CZ2-CZ3 3.95Å; W189-W233 HydrophobicContact CZ2-CZ3 3.95Å; W189-W233 AromaticContact CZ3-CZ3 3.8Å; W189-W233 HydrophobicContact CZ3-CZ3 3.8Å; I194-W233 HydrophobicContact CD1-CH2 3.89Å; I194-W233 HydrophobicContact CD1-CZ2 3.77Å; M198-W233 HydrophobicContact SD-CZ2 4.22Å; W233-V245 HydrophobicContact CD2-CB 3.85Å; W233-V245 HydrophobicContact CD2-CG1 4.4Å; W233-V245 HydrophobicContact CD2-CG2 4Å; W233-V245 HydrophobicContact CE3-CB 4.42Å; W233-V245 HydrophobicContact CE3-CG2 4.1Å; W233-V245 HydrophobicContact CG-CB 4.18Å; W233-V245 HydrophobicContact CH2-CG2 3.76Å; W233-V245 HydrophobicContact CZ2-CB 3.97Å; W233-V245 HydrophobicContact CZ2-CG1 3.89Å; W233-V245 HydrophobicContact CZ2-CG2 3.66Å; W233-V245 HydrophobicContact CZ3-CG2 3.98Å; W233-V245 PolarHBondContact N-O 2.77Å; W233-V245 WeakPolarHBondContact O-CA 3.24Å; W233-V245 PolarHBondContact O-N 3.28Å
234	G	90.5	Very high	90.9	Very high	29 Å²	29	33 Å²	33	30%	0.299	18%	0.176	S	C	.	.			trans	-166.4	-155.1	177.7	0	0	0	0	0	110.2
235	T	84.9	Confident	90.9	Very high	25 Å²	25	31.5 Å²	31.5	15%	0.153	17%	0.167	C	C	.	.			trans	-72.5	143.6	174	53.9	0	0	0	0	110.9	W189 N237 C238 N239 A242	W189-T235 HydrophobicContact CH2-CG2 3.52Å; W189-T235 HydrophobicContact CZ2-CG2 4.2Å; W189-T235 HydrophobicContact CZ3-CG2 4.39Å; T235-N237 VanDerWaalsContact CB-OD1 3.27Å; T235-N237 WeakPolarHBondContact CB-OD1 3.38Å; T235-N237 PolarHBondContact O-N 3.14Å; T235-N237 PolarHBondContact OG1-OD1 3.29Å; T235-C238 PolarHBondContact O-N 3.48Å; T235-N239 HydrophobicContact CG2-CB 4.16Å; T235-N239 WeakPolarHBondContact OG1-CB 3.23Å; T235-N239 PolarHBondContact OG1-N 3.44Å; T235-A242 HydrophobicContact CG2-CB 3.36Å
236	S	80.5	Confident	90.9	Very high	109 Å²	109	30 Å²	30	76%	0.762	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-20.8	178.2	54.4	0	0	0	0	113.6	Q210	Q210-S236 PolarHBondContact NE2-O 3.35Å
237	N	79.5	Confident	90.9	Very high	116 Å²	116	26.6 Å²	26.6	62%	0.62	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	8.4	177.4	68.1	-16.8	0	0	0	113.3	T235 N239	T235-N237 VanDerWaalsContact CB-OD1 3.27Å; T235-N237 WeakPolarHBondContact CB-OD1 3.38Å; T235-N237 PolarHBondContact O-N 3.14Å; T235-N237 PolarHBondContact OG1-OD1 3.29Å; N237-N239 PolarHBondContact O-N 3.44Å; N237-N239 WeakPolarHBondContact OD1-CB 3.4Å; N237-N239 PolarHBondContact OD1-N 2.82Å
238	C	78.3	Confident	90.9	Very high	10 Å²	10	28.9 Å²	28.9	7%	0.068	16%	0.157	C	C	.	.			trans	52.4	44	-178.5	-56.2	0	0	0	0	112.9	C209 Q210 T235 V240	C209-C238 VanDerWaalsContact CA-SG 3.5Å; C209-C238 HydrophobicContact CB-CB 3.7Å; C209-C238 WeakPolarHBondContact CB-SG 3.43Å; C209-C238 WeakPolarHBondContact SG-CB 3.49Å; C209-C238 CovalentContact SG-SG 1.99Å; C209-C238 PolarHBondContact SG-SG 2.82Å; Q210-C238 VanDerWaalsContact CD-SG 3.55Å; Q210-C238 PolarHBondContact NE2-SG 3.42Å; Q210-C238 PolarHBondContact OE1-SG 2.59Å; T235-C238 PolarHBondContact O-N 3.48Å; C238-V240 PolarHBondContact O-N 3.09Å
239	N	82.5	Confident	90.9	Very high	50 Å²	50	28.9 Å²	28.9	27%	0.267	16%	0.157	S	C	.	.			trans	-59.7	112.1	175.3	-179.9	-0.7	0	0	0	109.9	T235 N237 Y241 A242	T235-N239 HydrophobicContact CG2-CB 4.16Å; T235-N239 WeakPolarHBondContact OG1-CB 3.23Å; T235-N239 PolarHBondContact OG1-N 3.44Å; N237-N239 PolarHBondContact O-N 3.44Å; N237-N239 WeakPolarHBondContact OD1-CB 3.4Å; N237-N239 PolarHBondContact OD1-N 2.82Å; N239-Y241 PolarHBondContact O-N 3.01Å; N239-Y241 VanDerWaalsContact O-N 3.14Å; N239-Y241 WeakPolarHBondContact OD1-CB 3.33Å; N239-Y241 PolarHBondContact OD1-N 2.83Å; N239-A242 HydrophobicContact CB-CB 4.01Å; N239-A242 WeakPolarHBondContact O-CB 3.4Å; N239-A242 PolarHBondContact O-N 2.87Å
240	V	81.2	Confident	90.9	Very high	21 Å²	21	29.8 Å²	29.8	13%	0.127	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-10.4	-178.6	-59.8	0	0	0	0	114.3	G205 V206 C238	G205-V240 VanDerWaalsContact C-CB 3.5Å; G205-V240 CarbonylContact C-O 3.58Å; G205-V240 WeakPolarHBondContact CA-O 3.44Å; G205-V240 PolarHBondContact N-O 3.48Å; G205-V240 VanDerWaalsContact N-O 3.1Å; V206-V240 PolarHBondContact N-O 1.99Å; V206-V240 VanDerWaalsContact N-O 3.1Å; C238-V240 PolarHBondContact O-N 3.09Å
241	Y	84.7	Confident	90.9	Very high	155 Å²	155	35.2 Å²	35.2	61%	0.608	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-2.9	173.1	-57.9	-73.3	0	0	0	113.1	A203 N239	A203-Y241 WeakPolarHBondContact CB-O 3.2Å; N239-Y241 PolarHBondContact O-N 3.01Å; N239-Y241 VanDerWaalsContact O-N 3.14Å; N239-Y241 WeakPolarHBondContact OD1-CB 3.33Å; N239-Y241 PolarHBondContact OD1-N 2.83Å
242	A	88.8	Confident	90.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-91.6	135.9	170.4	0	0	0	0	0	110.1	Y188 W189 S207 T235 N239	Y188-A242 HydrophobicContact CE1-CB 3.82Å; Y188-A242 HydrophobicContact CE2-CB 4.36Å; Y188-A242 WeakPolarHBondContact OH-CB 3.28Å; W189-A242 HydrophobicContact CZ2-CB 4.5Å; S207-A242 PolarHBondContact OG-O 2.77Å; T235-A242 HydrophobicContact CG2-CB 3.36Å; N239-A242 HydrophobicContact CB-CB 4.01Å; N239-A242 WeakPolarHBondContact O-CB 3.4Å; N239-A242 PolarHBondContact O-N 2.87Å
243	P	92	Very high	91	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.013	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	133.6	173.4	27.2	-28	0	0	0	110.3	L180 Y188 W189 C200 A201 A203	L180-P243 HydrophobicContact CD1-CB 4.3Å; L180-P243 HydrophobicContact CD2-CB 3.56Å; L180-P243 HydrophobicContact CD2-CG 3.87Å; Y188-P243 HydrophobicContact CD1-CG 3.99Å; Y188-P243 HydrophobicContact CG-CG 3.94Å; W189-P243 VanDerWaalsContact CZ2-O 3.25Å; W189-P243 WeakPolarHBondContact CZ2-O 3.44Å; W189-P243 PolarHBondContact NE1-O 3.35Å; C200-P243 HydrophobicContact CB-CB 4.4Å; A201-P243 CarbonylContact O-C 3.48Å; A201-P243 WeakPolarHBondContact O-CA 3.34Å; A203-P243 HydrophobicContact CB-CB 4.2Å; A203-P243 HydrophobicContact CB-CG 4.45Å
244	A	92.4	Very high	91.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	152.6	169.4	0	0	0	0	0	110.4	C200 A201 S208 Y246	C200-A244 VanDerWaalsContact CA-O 3.22Å; C200-A244 WeakPolarHBondContact CA-O 2.97Å; A201-A244 PolarHBondContact N-O 3.47Å; A201-A244 VanDerWaalsContact N-O 3.1Å; A201-A244 PolarHBondContact O-N 3.06Å; S208-A244 WeakPolarHBondContact OG-CB 3.47Å; A244-Y246 HydrophobicContact CB-CE2 3.63Å; A244-Y246 WeakPolarHBondContact O-CE2 3.18Å
245	V	96.3	Very high	91.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.2	-178.7	-172.9	0	0	0	0	109.5	I194 M198 S232 W233	I194-V245 HydrophobicContact CD1-CG1 4.32Å; I194-V245 HydrophobicContact CD1-CG2 3.96Å; M198-V245 HydrophobicContact CB-CG1 3.85Å; M198-V245 HydrophobicContact CG-CG1 4.02Å; M198-V245 HydrophobicContact SD-CG1 3.83Å; S232-V245 WeakPolarHBondContact CB-O 3.36Å; S232-V245 PolarHBondContact N-O 2.81Å; W233-V245 HydrophobicContact CD2-CB 3.85Å; W233-V245 HydrophobicContact CD2-CG1 4.4Å; W233-V245 HydrophobicContact CD2-CG2 4Å; W233-V245 HydrophobicContact CE3-CB 4.42Å; W233-V245 HydrophobicContact CE3-CG2 4.1Å; W233-V245 HydrophobicContact CG-CB 4.18Å; W233-V245 HydrophobicContact CH2-CG2 3.76Å; W233-V245 HydrophobicContact CZ2-CB 3.97Å; W233-V245 HydrophobicContact CZ2-CG1 3.89Å; W233-V245 HydrophobicContact CZ2-CG2 3.66Å; W233-V245 HydrophobicContact CZ3-CG2 3.98Å; W233-V245 PolarHBondContact N-O 2.77Å; W233-V245 WeakPolarHBondContact O-CA 3.24Å; W233-V245 PolarHBondContact O-N 3.28Å
246	Y	97.9	Very high	92.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148	-173.9	-56.4	-104.3	0	0	0	109.3	L177 M198 I199 A201 L217 I230 V231 A244 R248	L177-Y246 WeakPolarHBondContact CD1-OH 2.98Å; M198-Y246 CarbonylContact C-O 3.54Å; M198-Y246 VanDerWaalsContact CA-O 3.32Å; M198-Y246 WeakPolarHBondContact CA-O 3.5Å; I199-Y246 PolarHBondContact N-O 3.14Å; I199-Y246 PolarHBondContact O-N 3.13Å; A201-Y246 HydrophobicContact CB-CD2 4.42Å; A201-Y246 HydrophobicContact CB-CE2 3.77Å; L217-Y246 HydrophobicContact CB-CD1 3.6Å; L217-Y246 HydrophobicContact CB-CE1 3.63Å; L217-Y246 HydrophobicContact CB-CG 4.33Å; L217-Y246 HydrophobicContact CD1-CE1 4.21Å; L217-Y246 HydrophobicContact CD2-CD1 3.99Å; L217-Y246 HydrophobicContact CD2-CD2 3.93Å; L217-Y246 HydrophobicContact CD2-CE1 4.13Å; L217-Y246 HydrophobicContact CD2-CE2 4.09Å; L217-Y246 HydrophobicContact CD2-CG 3.92Å; L217-Y246 HydrophobicContact CG-CD1 4.33Å; L217-Y246 HydrophobicContact CG-CE1 4.21Å; I230-Y246 CarbonylContact O-C 3.32Å; I230-Y246 WeakPolarHBondContact O-CA 3.48Å; I230-Y246 WeakPolarHBondContact O-CB 3.48Å; V231-Y246 HydrophobicContact CB-CD1 4.29Å; V231-Y246 HydrophobicContact CB-CE1 4.24Å; V231-Y246 HydrophobicContact CG2-CD1 3.93Å; V231-Y246 HydrophobicContact CG2-CE1 3.49Å; V231-Y246 VanDerWaalsContact CG2-CE1 3.49Å; A244-Y246 HydrophobicContact CB-CE2 3.63Å; A244-Y246 WeakPolarHBondContact O-CE2 3.18Å; Y246-R248 PolarHBondContact O-N 2.93Å
247	A	98.4	Very high	93.1	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.033	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	126.2	165.5	0	0	0	0	0	109	D121 G229 I230 V249 L252	D121-A247 WeakPolarHBondContact O-CB 3.45Å; G229-A247 CarbonylContact C-O 3.6Å; G229-A247 VanDerWaalsContact CA-O 3.22Å; G229-A247 WeakPolarHBondContact CA-O 3.39Å; I230-A247 HydrophobicContact CB-CB 4.26Å; I230-A247 HydrophobicContact CD1-CB 4.46Å; I230-A247 PolarHBondContact N-O 2.93Å; I230-A247 PolarHBondContact O-N 3.41Å; A247-V249 PolarHBondContact O-N 3.47Å; A247-L252 HydrophobicContact CB-CD1 3.83Å
248	R	98.1	Very high	94	Very high	49 Å²	49	35.4 Å²	35.4	19%	0.185	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	108.4	-173	-174	-175	-68	-177.5	4.9	110.4	D196 V197 M198 I199 Y246 S250 Y251 L252	D196-R248 WeakPolarHBondContact O-CD 3.27Å; D196-R248 VanDerWaalsContact O-CZ 3.27Å; D196-R248 PolarHBondContact O-NE 3.08Å; D196-R248 PolarHBondContact O-NH1 3.34Å; V197-R248 VanDerWaalsContact O-CB 3.23Å; V197-R248 WeakPolarHBondContact O-CB 3.01Å; V197-R248 PolarHBondContact O-N 2.93Å; M198-R248 VanDerWaalsContact O-CZ 3.23Å; M198-R248 PolarHBondContact O-NE 3.42Å; M198-R248 PolarHBondContact O-NH2 2.8Å; I199-R248 HydrophobicContact CB-CB 4.08Å; I199-R248 HydrophobicContact CB-CG 4.1Å; I199-R248 HydrophobicContact CG2-CB 4.15Å; I199-R248 HydrophobicContact CG2-CG 4.37Å; Y246-R248 PolarHBondContact O-N 2.93Å; R248-S250 PolarHBondContact O-N 2.77Å; R248-Y251 PolarHBondContact O-N 3.08Å; R248-L252 WeakPolarHBondContact O-CG 3.36Å; R248-L252 PolarHBondContact O-N 2.86Å; R248-L252 VanDerWaalsContact O-N 3.11Å
249	V	98.4	Very high	94.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-40.4	-173.8	171.4	0	0	0	0	112.6	L142 L227 A228 I230 A247 Y251 L252 R253 I256	L142-V249 HydrophobicContact CB-CG1 4.5Å; L142-V249 HydrophobicContact CD2-CG1 3.9Å; L227-V249 HydrophobicContact CD2-CG2 3.94Å; L227-V249 HydrophobicContact CG-CG2 3.93Å; L227-V249 WeakPolarHBondContact O-CB 3.45Å; L227-V249 WeakPolarHBondContact O-CG1 3.46Å; A228-V249 PolarHBondContact O-N 2.78Å; I230-V249 HydrophobicContact CD1-CG2 4Å; I230-V249 HydrophobicContact CG1-CG2 3.96Å; A247-V249 PolarHBondContact O-N 3.47Å; V249-Y251 VanDerWaalsContact C-N 3.28Å; V249-Y251 PolarHBondContact O-N 3.39Å; V249-L252 CarbonylContact O-C 3.59Å; V249-L252 PolarHBondContact O-N 2.81Å; V249-L252 VanDerWaalsContact O-N 3.16Å; V249-R253 WeakPolarHBondContact O-CA 3.18Å; V249-R253 WeakPolarHBondContact O-CB 3.3Å; V249-R253 PolarHBondContact O-N 3.06Å; V249-I256 HydrophobicContact CG1-CD1 4.23Å
250	S	97.8	Very high	95.6	Very high	18 Å²	18	34.9 Å²	34.9	13%	0.126	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-38.1	178	52.4	0	0	0	0	112.6	S144 S145 R248 R253	S144-S250 WeakPolarHBondContact O-CB 3.21Å; S145-S250 VanDerWaalsContact CA-O 3.31Å; S145-S250 WeakPolarHBondContact CA-O 3.49Å; R248-S250 PolarHBondContact O-N 2.77Å; S250-R253 WeakPolarHBondContact O-CB 3.35Å; S250-R253 PolarHBondContact O-N 2.73Å
251	Y	97.8	Very high	96.4	Very high	114 Å²	114	37.9 Å²	37.9	45%	0.447	19%	0.19	S	C	.	.	H	α-helix	trans	-68.1	-42.1	175.6	-167.5	-76	0	0	0	111.4	Y120 D196 V197 R248 V249 R253	Y120-Y251 HydrophobicContact CE1-CE1 4.44Å; D196-Y251 HydrophobicContact CB-CD2 4.19Å; D196-Y251 HydrophobicContact CB-CE2 3.79Å; D196-Y251 WeakPolarHBondContact O-CD2 3.38Å; V197-Y251 HydrophobicContact CB-CD1 4.09Å; V197-Y251 HydrophobicContact CB-CE1 4.37Å; V197-Y251 HydrophobicContact CG1-CD1 3.55Å; V197-Y251 HydrophobicContact CG1-CE1 3.36Å; V197-Y251 HydrophobicContact CG1-CG 4.3Å; R248-Y251 PolarHBondContact O-N 3.08Å; V249-Y251 VanDerWaalsContact C-N 3.28Å; V249-Y251 PolarHBondContact O-N 3.39Å; Y251-R253 PolarHBondContact O-N 3.26Å
252	L	98.4	Very high	96.9	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-81.8	-1.6	-178.1	-64.2	165.2	0	0	0	113.2	Y120 I122 A247 R248 V249 S254 W255 I256	Y120-L252 HydrophobicContact CD1-CD2 3.69Å; Y120-L252 HydrophobicContact CE1-CD2 4.27Å; I122-L252 HydrophobicContact CB-CD1 4.1Å; I122-L252 HydrophobicContact CD1-CB 4.26Å; I122-L252 HydrophobicContact CD1-CD1 4.06Å; I122-L252 HydrophobicContact CG2-CD1 3.93Å; I122-L252 HydrophobicContact CG2-CD2 4.24Å; A247-L252 HydrophobicContact CB-CD1 3.83Å; R248-L252 WeakPolarHBondContact O-CG 3.36Å; R248-L252 PolarHBondContact O-N 2.86Å; R248-L252 VanDerWaalsContact O-N 3.11Å; V249-L252 CarbonylContact O-C 3.59Å; V249-L252 PolarHBondContact O-N 2.81Å; V249-L252 VanDerWaalsContact O-N 3.16Å; L252-S254 PolarHBondContact O-N 3.18Å; L252-W255 PolarHBondContact O-N 3.08Å; L252-W255 VanDerWaalsContact O-N 3.14Å; L252-I256 WeakPolarHBondContact O-CG1 3.26Å; L252-I256 PolarHBondContact O-N 2.9Å; L252-I256 VanDerWaalsContact O-N 3.08Å
253	R	98.1	Very high	97	Very high	53 Å²	53	42.5 Å²	42.5	20%	0.2	21%	0.212	C	C	.	.	H	α-helix	trans	-57.8	-45.5	-169.6	-179.7	56.9	-174.3	-99.3	5.9	113.1	L142 L143 V249 S250 Y251 W255 I256 D257	L142-R253 VanDerWaalsContact C-NH1 3.32Å; L142-R253 PolarHBondContact O-NH1 3.37Å; L143-R253 PolarHBondContact O-NH1 2.51Å; V249-R253 WeakPolarHBondContact O-CA 3.18Å; V249-R253 WeakPolarHBondContact O-CB 3.3Å; V249-R253 PolarHBondContact O-N 3.06Å; S250-R253 WeakPolarHBondContact O-CB 3.35Å; S250-R253 PolarHBondContact O-N 2.73Å; Y251-R253 PolarHBondContact O-N 3.26Å; R253-W255 VanDerWaalsContact C-N 3.32Å; R253-W255 PolarHBondContact O-N 3.33Å; R253-I256 WeakPolarHBondContact O-CB 3.45Å; R253-I256 PolarHBondContact O-N 2.75Å; R253-I256 VanDerWaalsContact O-N 3.13Å; R253-D257 IonicContact CZ-OD1 2.72Å; R253-D257 IonicContact CZ-OD2 3.53Å; R253-D257 VanDerWaalsContact NE-CG 3.26Å; R253-D257 IonicContact NE-OD1 3.37Å; R253-D257 PolarHBondContact NE-OD1 2.86Å; R253-D257 IonicContact NE-OD2 3.54Å; R253-D257 PolarHBondContact NE-OD2 3.39Å; R253-D257 IonicContact NH2-OD1 3.79Å; R253-D257 IonicContact NH2-OD2 2.88Å; R253-D257 PolarHBondContact O-N 2.76Å
254	S	98.1	Very high	97.3	Very high	65 Å²	65	44.6 Å²	44.6	46%	0.455	22%	0.222	S	C	.	.	H	α-helix	trans	-58.7	-43.7	179.6	-176.2	0	0	0	0	111.9	L252 D257 Q258	L252-S254 PolarHBondContact O-N 3.18Å; S254-D257 PolarHBondContact O-N 3.06Å; S254-Q258 WeakPolarHBondContact O-CB 3.28Å; S254-Q258 WeakPolarHBondContact O-CG 3.3Å; S254-Q258 PolarHBondContact O-N 3.14Å; S254-Q258 PolarHBondContact OG-NE2 2.96Å
255	W	98.6	Very high	97.5	Very high	34 Å²	34	46.9 Å²	46.9	13%	0.129	23%	0.233	C	C	.	.	H	α-helix	trans	-66	-38.5	176.9	173.9	82.6	0	0	0	112.2	I108 H110 I122 L124 L252 R253 T259	I108-W255 HydrophobicContact CG2-CZ2 4.35Å; I108-W255 WeakPolarHBondContact O-CH2 3.16Å; H110-W255 VanDerWaalsContact CA-CZ2 3.44Å; H110-W255 HydrophobicContact CB-CD2 4.45Å; H110-W255 HydrophobicContact CB-CH2 4.2Å; H110-W255 HydrophobicContact CB-CZ2 3.91Å; H110-W255 AromaticContact CD2-CD1 3.61Å; H110-W255 AromaticContact CD2-CD2 3.3Å; H110-W255 AromaticContact CD2-CE2 3.58Å; H110-W255 AromaticContact CD2-CE3 3.82Å; H110-W255 AromaticContact CD2-CG 3.33Å; H110-W255 AromaticContact CD2-NE1 3.74Å; H110-W255 AromaticContact NE2-CD1 3.75Å; H110-W255 AromaticContact NE2-CG 3.62Å; I122-W255 HydrophobicContact CB-CZ3 4.34Å; I122-W255 HydrophobicContact CD1-CE3 4.18Å; I122-W255 HydrophobicContact CD1-CZ3 3.75Å; I122-W255 HydrophobicContact CG1-CZ3 3.8Å; I122-W255 HydrophobicContact CG2-CE3 4.04Å; I122-W255 HydrophobicContact CG2-CH2 4.14Å; I122-W255 HydrophobicContact CG2-CZ3 3.64Å; L124-W255 HydrophobicContact CB-CH2 4.45Å; L124-W255 HydrophobicContact CD1-CE3 4.35Å; L124-W255 HydrophobicContact CD1-CH2 3.9Å; L124-W255 HydrophobicContact CD1-CZ3 3.72Å; L124-W255 HydrophobicContact CG-CH2 3.89Å; L124-W255 HydrophobicContact CG-CZ3 3.8Å; L252-W255 PolarHBondContact O-N 3.08Å; L252-W255 VanDerWaalsContact O-N 3.14Å; R253-W255 VanDerWaalsContact C-N 3.32Å; R253-W255 PolarHBondContact O-N 3.33Å; W255-T259 VanDerWaalsContact O-CB 3.31Å; W255-T259 WeakPolarHBondContact O-CB 3.4Å; W255-T259 PolarHBondContact O-N 2.76Å; W255-T259 PolarHBondContact O-OG1 2.9Å
256	I	98.8	Very high	97.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.6	-53.7	175.9	-63.8	167.6	0	0	0	109.9	I65 I122 L124 L142 V249 L252 R253 Q258 T259 L260	I65-I256 HydrophobicContact CD1-CG2 4.17Å; I122-I256 HydrophobicContact CD1-CD1 3.77Å; I122-I256 HydrophobicContact CD1-CG1 3.85Å; L124-I256 HydrophobicContact CD1-CG2 4.27Å; L124-I256 HydrophobicContact CD2-CG2 4.3Å; L142-I256 HydrophobicContact CD1-CG2 3.72Å; V249-I256 HydrophobicContact CG1-CD1 4.23Å; L252-I256 WeakPolarHBondContact O-CG1 3.26Å; L252-I256 PolarHBondContact O-N 2.9Å; L252-I256 VanDerWaalsContact O-N 3.08Å; R253-I256 WeakPolarHBondContact O-CB 3.45Å; R253-I256 PolarHBondContact O-N 2.75Å; R253-I256 VanDerWaalsContact O-N 3.13Å; I256-Q258 PolarHBondContact O-N 2.95Å; I256-T259 PolarHBondContact O-N 2.88Å; I256-L260 HydrophobicContact CG2-CD1 4.18Å; I256-L260 WeakPolarHBondContact O-CD1 3.14Å; I256-L260 PolarHBondContact O-N 3Å
257	D	98.4	Very high	97.6	Very high	66 Å²	66	52.4 Å²	52.4	35%	0.353	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-42.9	-176.5	-66	-24.7	0	0	0	111.5	R253 S254 L260 A261	R253-D257 IonicContact CZ-OD1 2.72Å; R253-D257 IonicContact CZ-OD2 3.53Å; R253-D257 VanDerWaalsContact NE-CG 3.26Å; R253-D257 IonicContact NE-OD1 3.37Å; R253-D257 PolarHBondContact NE-OD1 2.86Å; R253-D257 IonicContact NE-OD2 3.54Å; R253-D257 PolarHBondContact NE-OD2 3.39Å; R253-D257 IonicContact NH2-OD1 3.79Å; R253-D257 IonicContact NH2-OD2 2.88Å; R253-D257 PolarHBondContact O-N 2.76Å; S254-D257 PolarHBondContact O-N 3.06Å; D257-L260 PolarHBondContact O-N 3.36Å; D257-A261 WeakPolarHBondContact O-CB 3.41Å; D257-A261 PolarHBondContact O-N 3.11Å
258	Q	98.4	Very high	97.5	Very high	100 Å²	100	55.4 Å²	55.4	47%	0.467	28%	0.275	S	S	.	.	H	α-helix	trans	-61.1	-46.2	175	-72.8	172.8	11.3	0	0	111.5	S254 I256 L260 A261 Y262	S254-Q258 WeakPolarHBondContact O-CB 3.28Å; S254-Q258 WeakPolarHBondContact O-CG 3.3Å; S254-Q258 PolarHBondContact O-N 3.14Å; S254-Q258 PolarHBondContact OG-NE2 2.96Å; I256-Q258 PolarHBondContact O-N 2.95Å; Q258-L260 VanDerWaalsContact C-N 3.32Å; Q258-L260 PolarHBondContact O-N 3.03Å; Q258-A261 PolarHBondContact O-N 3.04Å; Q258-Y262 HydrophobicContact CB-CD2 4.32Å; Q258-Y262 HydrophobicContact CB-CE2 4.3Å; Q258-Y262 WeakPolarHBondContact O-CD2 3.12Å; Q258-Y262 PolarHBondContact O-N 2.79Å
259	T	98.5	Very high	97.5	Very high	13 Å²	13	55.9 Å²	55.9	8%	0.08	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-42	-179.1	-59.4	0	0	0	0	111.5	I108 L124 W255 I256 N263	I108-T259 HydrophobicContact CB-CG2 4.16Å; I108-T259 HydrophobicContact CD1-CG2 3.61Å; I108-T259 HydrophobicContact CG1-CG2 4.49Å; I108-T259 HydrophobicContact CG2-CG2 3.88Å; L124-T259 HydrophobicContact CD1-CG2 3.58Å; W255-T259 VanDerWaalsContact O-CB 3.31Å; W255-T259 WeakPolarHBondContact O-CB 3.4Å; W255-T259 PolarHBondContact O-N 2.76Å; W255-T259 PolarHBondContact O-OG1 2.9Å; I256-T259 PolarHBondContact O-N 2.88Å; T259-N263 WeakPolarHBondContact O-CB 3.44Å; T259-N263 PolarHBondContact O-N 2.69Å; T259-N263 PolarHBondContact O-ND2 3.48Å
260	L	97.6	Very high	97.4	Very high	36 Å²	36	59.9 Å²	59.9	19%	0.188	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-39.6	175.5	-94.1	57.4	0	0	0	112.3	I65 W69 L124 I256 D257 Q258	I65-L260 HydrophobicContact CD1-CD1 4.17Å; I65-L260 HydrophobicContact CD1-CD2 4.02Å; W69-L260 HydrophobicContact CB-CD1 4.4Å; W69-L260 HydrophobicContact CD2-CD1 3.76Å; W69-L260 HydrophobicContact CD2-CG 4.06Å; W69-L260 HydrophobicContact CE3-CD1 4.02Å; W69-L260 HydrophobicContact CG-CD1 3.95Å; W69-L260 HydrophobicContact CG-CD2 4.48Å; W69-L260 HydrophobicContact CG-CG 3.94Å; L124-L260 HydrophobicContact CD1-CD1 3.68Å; L124-L260 HydrophobicContact CD2-CD1 4.28Å; I256-L260 HydrophobicContact CG2-CD1 4.18Å; I256-L260 WeakPolarHBondContact O-CD1 3.14Å; I256-L260 PolarHBondContact O-N 3Å; D257-L260 PolarHBondContact O-N 3.36Å; Q258-L260 VanDerWaalsContact C-N 3.32Å; Q258-L260 PolarHBondContact O-N 3.03Å
261	A	96.8	Very high	97.4	Very high	83 Å²	83	63.1 Å²	63.1	69%	0.686	32%	0.315	S	S	*	.	H	α-helix	trans	-71	-33.2	-178.6	0	0	0	0	0	113.4	D257 Q258	D257-A261 WeakPolarHBondContact O-CB 3.41Å; D257-A261 PolarHBondContact O-N 3.11Å; Q258-A261 PolarHBondContact O-N 3.04Å
262	Y	95.3	Very high	97.4	Very high	197 Å²	197	58.8 Å²	58.8	77%	0.773	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	3.7	-176	-69.6	-62.9	0	0	0	114.8	Q258	Q258-Y262 HydrophobicContact CB-CD2 4.32Å; Q258-Y262 HydrophobicContact CB-CE2 4.3Å; Q258-Y262 WeakPolarHBondContact O-CD2 3.12Å; Q258-Y262 PolarHBondContact O-N 2.79Å
263	N	91.8	Very high	97.3	Very high	56 Å²	56	63.9 Å²	63.9	30%	0.299	33%	0.33	S	S	.	.			trans	-134.7	0	-175.3	-69.6	-91.9	0	0	0	112.6	W69 R106 I108 R126 T259	W69-N263 HydrophobicContact CH2-CB 3.76Å; W69-N263 HydrophobicContact CZ2-CB 3.72Å; R106-N263 PolarHBondContact NH1-OD1 3.1Å; I108-N263 HydrophobicContact CD1-CB 4.37Å; R126-N263 PolarHBondContact NH1-O 2.88Å; R126-N263 PolarHBondContact NH2-O 3.29Å; R126-N263 PolarHBondContact NH2-OXT 3.29Å; T259-N263 WeakPolarHBondContact O-CB 3.44Å; T259-N263 PolarHBondContact O-N 2.69Å; T259-N263 PolarHBondContact O-ND2 3.48Å

Retrieved 263 of 263 residues in 167.1 ms (Link to these results)

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