A0A093HB69_STRCA Loading...

Fibrinogen-like protein 1

Immune suppressive molecule that inhibits antigen-specific T-cell activation by acting as a major ligand of LAG3. Responsible for LAG3 T-cell inhibitory function. Binds LAG3 independently from MHC class II (MHC-II). Secreted by, and promotes growth of, hepatocytes.

AlphaFold DB , UniProt , Accession A0A093HB69, Species STRCA (Struthio camelus australis), Gene n/a, Length 313 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.6	Very low	40.4	Very low	230 Å²	230	151.9 Å²	151.9	100%	1.133	77%	0.774	S	S	*	*				0	82.7	0	-167.9	171.7	82.6	0	0	109.4
2	K	42	Very low	40.5	Very low	190 Å²	190	147.1 Å²	147.1	83%	0.826	77%	0.774	S	S	*	*			trans	174.9	-0.4	165.9	-103.7	176.4	-176.1	-174.6	0	114.4
3	I	39.1	Very low	40.9	Very low	150 Å²	150	142.2 Å²	142.2	77%	0.769	77%	0.768	S	S	*	*	S	Bend	trans	-114.7	-8.6	177.6	-69.4	165.2	0	0	0	113.4
4	L	36.3	Very low	41.1	Very low	155 Å²	155	139.9 Å²	139.9	81%	0.812	77%	0.768	S	S	*	*	S	Bend	trans	-87.9	-10.3	176.6	-108.7	86.3	0	0	0	114.9
5	I	43.9	Very low	41.1	Very low	125 Å²	125	141.1 Å²	141.1	64%	0.641	77%	0.772	S	S	*	*	S	Bend	trans	-87.8	-13.4	-172.5	-60.6	175.8	0	0	0	112.2
6	L	38.4	Very low	41.1	Very low	129 Å²	129	139.6 Å²	139.6	68%	0.675	77%	0.768	S	S	*	*	S	Bend	trans	-89.9	-10.3	-178.7	-109.3	104.6	0	0	0	115.1
7	I	40.1	Very low	41.3	Very low	127 Å²	127	141.1 Å²	141.1	65%	0.651	78%	0.775	S	S	*	*	S	Bend	trans	-91	-18.1	-178.3	-62.1	178.9	0	0	0	112
8	E	42.3	Very low	41.7	Very low	180 Å²	180	137.4 Å²	137.4	84%	0.841	77%	0.774	S	S	*	*	S	Bend	trans	-82.5	-9.7	175.4	-70.2	-162.4	159.8	0	0	114.1
9	S	39.7	Very low	42.1	Very low	91 Å²	91	137 Å²	137	64%	0.636	77%	0.768	S	S	*	*	S	Bend	trans	-101.7	-5.5	-174	-53	0	0	0	0	115.3
10	I	38.9	Very low	42.3	Very low	131 Å²	131	132 Å²	132	67%	0.672	75%	0.748	S	S	*	*	S	Bend	trans	-119.7	-7.3	-171	-60.6	-179.5	0	0	0	114.1
11	L	36.9	Very low	43.1	Very low	163 Å²	163	130.7 Å²	130.7	85%	0.853	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	27.6	172.8	-86.5	162.1	0	0	0	113.9
12	A	41.4	Very low	43.8	Very low	94 Å²	94	123.2 Å²	123.2	78%	0.777	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	8.6	175.6	0	0	0	0	0	113.9
13	A	46.3	Very low	44.7	Very low	84 Å²	84	118.1 Å²	118.1	69%	0.694	70%	0.7	S	S	*	*	S	Bend	trans	-141.8	73.3	-178.6	0	0	0	0	0	111.7
14	S	43	Very low	46	Very low	110 Å²	110	117.5 Å²	117.5	77%	0.769	70%	0.698	S	S	*	*	S	Bend	trans	160.4	131.4	133.4	47.6	0	0	0	0	111.4
15	L	41.5	Very low	47.8	Very low	158 Å²	158	116.1 Å²	116.1	83%	0.827	69%	0.687	S	S	*	*			trans	76.3	83.9	165.9	-61.2	157.2	0	0	0	117.5
16	V	40.6	Very low	49.4	Very low	116 Å²	116	114.4 Å²	114.4	70%	0.703	68%	0.679	S	S	*	*				-148	98.2	121.9	-176.3	0	0	0	0	108.1	G18 I19	V16-G18 PolarHBondContact O-N 3.21Å; V16-I19 HydrophobicContact CG1-CG1 4.48Å
17	D	44.7	Very low	51.4	Low	166 Å²	166	112 Å²	112	89%	0.888	67%	0.672	S	S	*	*			trans	-66.2	120.6	152.8	-84.4	-48.1	0	0	0	107.5
18	G	49.8	Very low	53.5	Low	74 Å²	74	112 Å²	112	76%	0.763	67%	0.667	S	S	*	*	S	Bend	trans	82.9	50.7	157.1	0	0	0	0	0	118.9	V16	V16-G18 PolarHBondContact O-N 3.21Å
19	I	47.6	Very low	55.6	Low	130 Å²	130	109.6 Å²	109.6	67%	0.667	66%	0.657	S	S	*	*	S	Bend	trans	-136.9	134	146.3	-57.4	-178.3	0	0	0	107	V16 D23	V16-I19 HydrophobicContact CG1-CG1 4.48Å; I19-D23 HydrophobicContact CG2-CB 4.1Å; I19-D23 WeakPolarHBondContact CG2-OD2 3.39Å
20	G	46.9	Very low	57.9	Low	36 Å²	36	109.2 Å²	109.2	37%	0.371	64%	0.644	S	S	.	*			trans	-59.7	142.9	-157.2	0	0	0	0	0	114.8	S22 D23	G20-S22 PolarHBondContact O-N 2.99Å; G20-D23 PolarHBondContact N-OD2 2.81Å; G20-D23 WeakPolarHBondContact O-CB 3.47Å; G20-D23 PolarHBondContact O-N 3.26Å
21	S	58.3	Low	60.3	Low	105 Å²	105	107.7 Å²	107.7	73%	0.734	64%	0.635	S	S	*	*	H	α-helix	trans	-50	-24.4	165.2	163.2	0	0	0	0	112.9	Q25	S21-Q25 WeakPolarHBondContact O-CB 3.33Å
22	S	61.2	Low	62.8	Low	74 Å²	74	104.5 Å²	104.5	52%	0.517	62%	0.618	S	S	.	*	H	α-helix	trans	-69	-35.5	172.1	-176	0	0	0	0	113.4	G20 N26	G20-S22 PolarHBondContact O-N 2.99Å; S22-N26 VanDerWaalsContact O-CB 3.32Å; S22-N26 WeakPolarHBondContact O-CB 3.35Å; S22-N26 PolarHBondContact O-N 2.94Å; S22-N26 PolarHBondContact O-ND2 3.13Å; S22-N26 VanDerWaalsContact O-ND2 3.13Å
23	D	62.5	Low	65.2	Low	83 Å²	83	105.8 Å²	105.8	44%	0.444	60%	0.602	S	S	.	*	H	α-helix	trans	-76.8	-38.6	-172	-63.3	-38.5	0	0	0	111.6	I19 G20 N26 C27	I19-D23 HydrophobicContact CG2-CB 4.1Å; I19-D23 WeakPolarHBondContact CG2-OD2 3.39Å; G20-D23 PolarHBondContact N-OD2 2.81Å; G20-D23 WeakPolarHBondContact O-CB 3.47Å; G20-D23 PolarHBondContact O-N 3.26Å; D23-N26 PolarHBondContact O-N 2.9Å; D23-C27 WeakPolarHBondContact O-CB 3.32Å; D23-C27 PolarHBondContact O-N 3.43Å
24	L	64.8	Low	67.4	Low	136 Å²	136	105.9 Å²	105.9	71%	0.712	59%	0.591	S	S	*	*	H	α-helix	trans	-67.4	-38.7	174.1	-172.4	65.2	0	0	0	111.5	C27 F28	L24-C27 PolarHBondContact O-N 2.7Å; L24-F28 WeakPolarHBondContact O-CB 3.49Å; L24-F28 PolarHBondContact O-N 3.36Å
25	Q	74.4	Confident	69.8	Low	126 Å²	126	104.8 Å²	104.8	59%	0.589	57%	0.573	S	S	*	*	H	α-helix	trans	-68.6	-38.9	176.3	-169.3	152.6	-19.5	0	0	111.7	S21 F28 Q29	S21-Q25 WeakPolarHBondContact O-CB 3.33Å; Q25-F28 PolarHBondContact O-N 3.05Å; Q25-Q29 WeakPolarHBondContact O-CB 3.36Å; Q25-Q29 PolarHBondContact O-N 3.04Å
26	N	77.6	Confident	72.3	Confident	90 Å²	90	98.7 Å²	98.7	48%	0.481	55%	0.549	S	S	.	.	H	α-helix	trans	-63.3	-42.4	171.8	-74.4	-23.3	0	0	0	112	S22 D23 Q29 E30	S22-N26 VanDerWaalsContact O-CB 3.32Å; S22-N26 WeakPolarHBondContact O-CB 3.35Å; S22-N26 PolarHBondContact O-N 2.94Å; S22-N26 PolarHBondContact O-ND2 3.13Å; S22-N26 VanDerWaalsContact O-ND2 3.13Å; D23-N26 PolarHBondContact O-N 2.9Å; N26-Q29 PolarHBondContact O-N 2.94Å; N26-E30 WeakPolarHBondContact O-CB 3.48Å; N26-E30 PolarHBondContact O-N 2.74Å
27	C	81.8	Confident	74.9	Confident	77 Å²	77	97.2 Å²	97.2	52%	0.52	54%	0.535	S	S	.	.	H	α-helix	trans	-63.6	-43.4	177	-174.2	0	0	0	0	112.3	D23 L24 Q29 E30 Q31	D23-C27 WeakPolarHBondContact O-CB 3.32Å; D23-C27 PolarHBondContact O-N 3.43Å; L24-C27 PolarHBondContact O-N 2.7Å; C27-Q29 VanDerWaalsContact C-N 3.32Å; C27-Q29 PolarHBondContact O-N 3.29Å; C27-E30 PolarHBondContact O-N 2.99Å; C27-Q31 WeakPolarHBondContact O-CB 3.15Å; C27-Q31 PolarHBondContact O-N 2.75Å
28	F	82.6	Confident	77.3	Confident	127 Å²	127	92.9 Å²	92.9	56%	0.557	51%	0.514	S	S	*	.	H	α-helix	trans	-63.7	-40	177.2	-174.1	-104.5	0	0	0	111.7	L24 Q25 Q31 I32	L24-F28 WeakPolarHBondContact O-CB 3.49Å; L24-F28 PolarHBondContact O-N 3.36Å; Q25-F28 PolarHBondContact O-N 3.05Å; F28-Q31 PolarHBondContact O-N 3.46Å; F28-I32 HydrophobicContact CD1-CD1 3.92Å; F28-I32 HydrophobicContact CE1-CD1 3.47Å; F28-I32 VanDerWaalsContact CE1-CD1 3.47Å; F28-I32 HydrophobicContact CE1-CG1 4.43Å; F28-I32 HydrophobicContact CZ-CD1 3.94Å; F28-I32 PolarHBondContact O-N 3.07Å; F28-I32 VanDerWaalsContact O-N 3.07Å
29	Q	86.6	Confident	79.4	Confident	131 Å²	131	96.9 Å²	96.9	61%	0.612	51%	0.506	S	S	*	.	H	α-helix	trans	-67.1	-38.7	177.2	-160.2	139.8	-30.1	0	0	112	Q25 N26 C27 I32 R33	Q25-Q29 WeakPolarHBondContact O-CB 3.36Å; Q25-Q29 PolarHBondContact O-N 3.04Å; N26-Q29 PolarHBondContact O-N 2.94Å; C27-Q29 VanDerWaalsContact C-N 3.32Å; C27-Q29 PolarHBondContact O-N 3.29Å; Q29-I32 PolarHBondContact O-N 3.38Å; Q29-R33 WeakPolarHBondContact O-CB 3.48Å; Q29-R33 PolarHBondContact O-N 3.48Å
30	E	88.9	Confident	81.7	Confident	82 Å²	82	95.5 Å²	95.5	38%	0.383	50%	0.499	S	S	.	.	H	α-helix	trans	-65.6	-38.9	171.6	-85.1	-60.5	147.9	0	0	112.9	N26 C27 I32 R33 L34	N26-E30 WeakPolarHBondContact O-CB 3.48Å; N26-E30 PolarHBondContact O-N 2.74Å; C27-E30 PolarHBondContact O-N 2.99Å; E30-I32 PolarHBondContact O-N 3.16Å; E30-R33 VanDerWaalsContact CD-NE 3.27Å; E30-R33 WeakPolarHBondContact O-CB 3.46Å; E30-R33 PolarHBondContact O-N 2.74Å; E30-R33 IonicContact OE1-CZ 2.77Å; E30-R33 IonicContact OE1-NE 3.97Å; E30-R33 PolarHBondContact OE1-NE 3.22Å; E30-R33 IonicContact OE1-NH2 3.94Å; E30-R33 IonicContact OE2-CZ 2.85Å; E30-R33 IonicContact OE2-NE 3.43Å; E30-R33 PolarHBondContact OE2-NE 3.21Å; E30-R33 IonicContact OE2-NH2 3.51Å; E30-R33 PolarHBondContact OE2-NH2 2.86Å; E30-L34 WeakPolarHBondContact O-CB 3.37Å; E30-L34 WeakPolarHBondContact O-CG 3.43Å; E30-L34 PolarHBondContact O-N 3.48Å
31	Q	88.3	Confident	84	Confident	100 Å²	100	98.4 Å²	98.4	47%	0.467	51%	0.506	S	S	.	.	H	α-helix	trans	-61.8	-44.4	175.7	-176.9	177.8	-35	0	0	111.7	C27 F28 R33 L34 Q35	C27-Q31 WeakPolarHBondContact O-CB 3.15Å; C27-Q31 PolarHBondContact O-N 2.75Å; F28-Q31 PolarHBondContact O-N 3.46Å; Q31-R33 VanDerWaalsContact C-N 3.33Å; Q31-R33 PolarHBondContact O-N 3.47Å; Q31-L34 PolarHBondContact O-N 2.88Å; Q31-Q35 WeakPolarHBondContact O-CB 3.47Å; Q31-Q35 VanDerWaalsContact O-CG 3.24Å; Q31-Q35 WeakPolarHBondContact O-CG 3.5Å; Q31-Q35 PolarHBondContact O-N 2.83Å
32	I	89.6	Confident	85.8	Confident	96 Å²	96	98.2 Å²	98.2	49%	0.492	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-42	174.9	-68.1	173.1	0	0	0	110.5	F28 Q29 E30 Q35 G36	F28-I32 HydrophobicContact CD1-CD1 3.92Å; F28-I32 HydrophobicContact CE1-CD1 3.47Å; F28-I32 VanDerWaalsContact CE1-CD1 3.47Å; F28-I32 HydrophobicContact CE1-CG1 4.43Å; F28-I32 HydrophobicContact CZ-CD1 3.94Å; F28-I32 PolarHBondContact O-N 3.07Å; F28-I32 VanDerWaalsContact O-N 3.07Å; Q29-I32 PolarHBondContact O-N 3.38Å; E30-I32 PolarHBondContact O-N 3.16Å; I32-Q35 PolarHBondContact O-N 2.97Å; I32-G36 PolarHBondContact O-N 3.05Å
33	R	93.2	Very high	87.4	Confident	120 Å²	120	99 Å²	99	45%	0.453	49%	0.492	S	S	.	.	H	α-helix	trans	-60.4	-49.6	177.2	-170.8	-174.7	72.1	99.8	3.8	111.5	Q29 E30 Q31 G36 Q37	Q29-R33 WeakPolarHBondContact O-CB 3.48Å; Q29-R33 PolarHBondContact O-N 3.48Å; E30-R33 VanDerWaalsContact CD-NE 3.27Å; E30-R33 WeakPolarHBondContact O-CB 3.46Å; E30-R33 PolarHBondContact O-N 2.74Å; E30-R33 IonicContact OE1-CZ 2.77Å; E30-R33 IonicContact OE1-NE 3.97Å; E30-R33 PolarHBondContact OE1-NE 3.22Å; E30-R33 IonicContact OE1-NH2 3.94Å; E30-R33 IonicContact OE2-CZ 2.85Å; E30-R33 IonicContact OE2-NE 3.43Å; E30-R33 PolarHBondContact OE2-NE 3.21Å; E30-R33 IonicContact OE2-NH2 3.51Å; E30-R33 PolarHBondContact OE2-NH2 2.86Å; Q31-R33 VanDerWaalsContact C-N 3.33Å; Q31-R33 PolarHBondContact O-N 3.47Å; R33-G36 PolarHBondContact O-N 3.07Å; R33-Q37 WeakPolarHBondContact O-CG 3.37Å; R33-Q37 PolarHBondContact O-N 3.3Å
34	L	92.1	Very high	88.9	Confident	86 Å²	86	101.4 Å²	101.4	45%	0.45	50%	0.495	S	S	.	.	H	α-helix	trans	-65.3	-41.8	179.9	-71.2	172.3	0	0	0	111.7	E30 Q31 G36 Q37 V38	E30-L34 WeakPolarHBondContact O-CB 3.37Å; E30-L34 WeakPolarHBondContact O-CG 3.43Å; E30-L34 PolarHBondContact O-N 3.48Å; Q31-L34 PolarHBondContact O-N 2.88Å; L34-G36 VanDerWaalsContact C-N 3.28Å; L34-G36 PolarHBondContact O-N 3.02Å; L34-Q37 WeakPolarHBondContact O-CB 3.5Å; L34-Q37 PolarHBondContact O-N 3.21Å; L34-Q37 VanDerWaalsContact O-N 3.12Å; L34-V38 WeakPolarHBondContact O-CG2 3.45Å; L34-V38 PolarHBondContact O-N 3.48Å
35	Q	91.9	Very high	90.4	Very high	87 Å²	87	98.3 Å²	98.3	41%	0.407	48%	0.481	S	S	.	.	H	α-helix	trans	-61.8	-37.1	173.8	-75.4	179.9	-9.6	0	0	112.2	Q31 I32 R39	Q31-Q35 WeakPolarHBondContact O-CB 3.47Å; Q31-Q35 VanDerWaalsContact O-CG 3.24Å; Q31-Q35 WeakPolarHBondContact O-CG 3.5Å; Q31-Q35 PolarHBondContact O-N 2.83Å; I32-Q35 PolarHBondContact O-N 2.97Å; Q35-R39 WeakPolarHBondContact O-CG 3.49Å; Q35-R39 PolarHBondContact O-N 3.33Å; Q35-R39 VanDerWaalsContact O-N 3.14Å
36	G	94.4	Very high	91.3	Very high	31 Å²	31	98 Å²	98	32%	0.32	48%	0.478	S	S	.	.	H	α-helix	trans	-64.2	-42.1	171.9	0	0	0	0	0	112.4	I32 R33 L34 R39 L40	I32-G36 PolarHBondContact O-N 3.05Å; R33-G36 PolarHBondContact O-N 3.07Å; L34-G36 VanDerWaalsContact C-N 3.28Å; L34-G36 PolarHBondContact O-N 3.02Å; G36-R39 PolarHBondContact O-N 3.5Å; G36-L40 WeakPolarHBondContact O-CB 3.4Å; G36-L40 PolarHBondContact O-N 2.94Å
37	Q	95.4	Very high	92	Very high	85 Å²	85	100.3 Å²	100.3	40%	0.397	49%	0.486	S	S	.	.	H	α-helix	trans	-64.7	-41	176.4	-73.2	-176.4	-16.5	0	0	112.6	R33 L34 L40 L41	R33-Q37 WeakPolarHBondContact O-CG 3.37Å; R33-Q37 PolarHBondContact O-N 3.3Å; L34-Q37 WeakPolarHBondContact O-CB 3.5Å; L34-Q37 PolarHBondContact O-N 3.21Å; L34-Q37 VanDerWaalsContact O-N 3.12Å; Q37-L40 WeakPolarHBondContact O-CB 3.45Å; Q37-L40 PolarHBondContact O-N 3.39Å; Q37-L41 WeakPolarHBondContact O-CG 3.38Å; Q37-L41 PolarHBondContact O-N 3.12Å
38	V	95.4	Very high	92.5	Very high	75 Å²	75	102.7 Å²	102.7	46%	0.455	49%	0.489	S	S	.	.	H	α-helix	trans	-61.5	-48	175.8	171.4	0	0	0	0	110.5	L34 L40 L41 E42	L34-V38 WeakPolarHBondContact O-CG2 3.45Å; L34-V38 PolarHBondContact O-N 3.48Å; V38-L40 VanDerWaalsContact C-N 3.3Å; V38-L40 PolarHBondContact O-N 3.23Å; V38-L41 WeakPolarHBondContact O-CB 3.24Å; V38-L41 PolarHBondContact O-N 2.87Å; V38-E42 HydrophobicContact CG1-CG 4.29Å; V38-E42 WeakPolarHBondContact O-CG 3.34Å; V38-E42 PolarHBondContact O-N 3.47Å
39	R	94.6	Very high	92.8	Very high	157 Å²	157	101.8 Å²	101.8	59%	0.592	49%	0.487	S	S	*	.	H	α-helix	trans	-58.7	-42.2	176.2	-71	-177.5	-134.1	-168.5	2.3	112.3	Q35 G36 L41 E42 D43	Q35-R39 WeakPolarHBondContact O-CG 3.49Å; Q35-R39 PolarHBondContact O-N 3.33Å; Q35-R39 VanDerWaalsContact O-N 3.14Å; G36-R39 PolarHBondContact O-N 3.5Å; R39-L41 VanDerWaalsContact C-N 3.28Å; R39-L41 PolarHBondContact O-N 3.44Å; R39-E42 PolarHBondContact O-N 3.03Å; R39-D43 PolarHBondContact O-N 3.49Å
40	L	96.2	Very high	93.1	Very high	101 Å²	101	100.6 Å²	100.6	53%	0.529	48%	0.484	S	S	.	.	H	α-helix	trans	-64.1	-30.2	175.4	-99.7	156.5	0	0	0	113.7	G36 Q37 V38 R44	G36-L40 WeakPolarHBondContact O-CB 3.4Å; G36-L40 PolarHBondContact O-N 2.94Å; Q37-L40 WeakPolarHBondContact O-CB 3.45Å; Q37-L40 PolarHBondContact O-N 3.39Å; V38-L40 VanDerWaalsContact C-N 3.3Å; V38-L40 PolarHBondContact O-N 3.23Å; L40-R44 PolarHBondContact O-N 2.9Å; L40-R44 PolarHBondContact O-NE 2.84Å; L40-R44 VanDerWaalsContact O-NE 3.16Å
41	L	95.1	Very high	93.2	Very high	98 Å²	98	103.4 Å²	103.4	51%	0.513	50%	0.495	S	S	.	.	H	α-helix	trans	-77.7	-42.8	174.3	-73.7	170	0	0	0	110.7	Q37 V38 R39 D43 R44 V45	Q37-L41 WeakPolarHBondContact O-CG 3.38Å; Q37-L41 PolarHBondContact O-N 3.12Å; V38-L41 WeakPolarHBondContact O-CB 3.24Å; V38-L41 PolarHBondContact O-N 2.87Å; R39-L41 VanDerWaalsContact C-N 3.28Å; R39-L41 PolarHBondContact O-N 3.44Å; L41-D43 VanDerWaalsContact C-N 3.34Å; L41-D43 PolarHBondContact O-N 2.94Å; L41-R44 PolarHBondContact O-N 3.45Å; L41-R44 VanDerWaalsContact O-N 3.17Å; L41-V45 WeakPolarHBondContact O-CG2 3.46Å; L41-V45 PolarHBondContact O-N 3.04Å
42	E	94.2	Very high	93.4	Very high	101 Å²	101	103.3 Å²	103.3	47%	0.472	50%	0.497	S	S	.	.	H	α-helix	trans	-58.2	-44.8	175.1	-72.2	173.9	166.7	0	0	111.6	V38 R39 R44 V45 K46	V38-E42 HydrophobicContact CG1-CG 4.29Å; V38-E42 WeakPolarHBondContact O-CG 3.34Å; V38-E42 PolarHBondContact O-N 3.47Å; R39-E42 PolarHBondContact O-N 3.03Å; E42-R44 VanDerWaalsContact C-N 3.34Å; E42-R44 PolarHBondContact O-N 3.38Å; E42-V45 PolarHBondContact O-N 3.31Å; E42-K46 WeakPolarHBondContact O-CG 3.46Å; E42-K46 PolarHBondContact O-N 3.15Å
43	D	95.1	Very high	93.4	Very high	91 Å²	91	101.7 Å²	101.7	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-64.7	-38.7	176.4	-74.9	-18.1	0	0	0	111.8	R39 L41 K46 Q47	R39-D43 PolarHBondContact O-N 3.49Å; L41-D43 VanDerWaalsContact C-N 3.34Å; L41-D43 PolarHBondContact O-N 2.94Å; D43-K46 PolarHBondContact O-N 3.34Å; D43-Q47 WeakPolarHBondContact O-CB 3.48Å; D43-Q47 WeakPolarHBondContact O-CG 3.48Å; D43-Q47 PolarHBondContact O-N 2.94Å
44	R	95.6	Very high	93.2	Very high	132 Å²	132	101.1 Å²	101.1	50%	0.498	49%	0.491	S	S	.	.	H	α-helix	trans	-65.5	-41.2	174.6	-89	-176.1	-83.5	-171.9	-6	112.3	L40 L41 E42 Q47 Q48	L40-R44 PolarHBondContact O-N 2.9Å; L40-R44 PolarHBondContact O-NE 2.84Å; L40-R44 VanDerWaalsContact O-NE 3.16Å; L41-R44 PolarHBondContact O-N 3.45Å; L41-R44 VanDerWaalsContact O-N 3.17Å; E42-R44 VanDerWaalsContact C-N 3.34Å; E42-R44 PolarHBondContact O-N 3.38Å; R44-Q47 PolarHBondContact O-N 3.34Å; R44-Q48 WeakPolarHBondContact O-CB 3.35Å; R44-Q48 VanDerWaalsContact O-CG 3.32Å; R44-Q48 WeakPolarHBondContact O-CG 3.32Å; R44-Q48 PolarHBondContact O-N 3.32Å
45	V	95.9	Very high	93	Very high	71 Å²	71	102.1 Å²	102.1	43%	0.43	50%	0.496	S	S	.	.	H	α-helix	trans	-63	-45.7	175.6	170.4	0	0	0	0	110	L41 E42 Q47 Q48 Q49	L41-V45 WeakPolarHBondContact O-CG2 3.46Å; L41-V45 PolarHBondContact O-N 3.04Å; E42-V45 PolarHBondContact O-N 3.31Å; V45-Q47 PolarHBondContact O-N 3.44Å; V45-Q48 PolarHBondContact O-N 2.85Å; V45-Q49 HydrophobicContact CG1-CG 4.4Å; V45-Q49 WeakPolarHBondContact O-CB 3.42Å; V45-Q49 WeakPolarHBondContact O-CG 3.32Å; V45-Q49 PolarHBondContact O-N 3.17Å
46	K	92.6	Very high	92.3	Very high	121 Å²	121	102.8 Å²	102.8	53%	0.526	50%	0.502	S	S	.	.	H	α-helix	trans	-60.1	-43.8	175.2	-74.4	176.3	-177.3	173.2	0	112.2	E42 D43 Q48 Q49 L50	E42-K46 WeakPolarHBondContact O-CG 3.46Å; E42-K46 PolarHBondContact O-N 3.15Å; D43-K46 PolarHBondContact O-N 3.34Å; K46-Q48 PolarHBondContact O-N 3.36Å; K46-Q49 PolarHBondContact O-N 3.47Å; K46-L50 WeakPolarHBondContact O-CG 3.43Å; K46-L50 PolarHBondContact O-N 2.82Å
47	Q	93.1	Very high	91.6	Very high	138 Å²	138	105.8 Å²	105.8	65%	0.645	51%	0.508	S	S	*	.	H	α-helix	trans	-63.5	-40.7	175.7	-77.4	-175.2	-10.8	0	0	112.3	D43 R44 V45 L50 K51	D43-Q47 WeakPolarHBondContact O-CB 3.48Å; D43-Q47 WeakPolarHBondContact O-CG 3.48Å; D43-Q47 PolarHBondContact O-N 2.94Å; R44-Q47 PolarHBondContact O-N 3.34Å; V45-Q47 PolarHBondContact O-N 3.44Å; Q47-L50 PolarHBondContact O-N 3.3Å; Q47-K51 WeakPolarHBondContact O-CB 3.41Å; Q47-K51 PolarHBondContact O-N 3.21Å
48	Q	91.9	Very high	90.7	Very high	127 Å²	127	108.3 Å²	108.3	59%	0.593	52%	0.517	S	S	*	.	H	α-helix	trans	-65.1	-41.7	175.1	-76.3	179.3	-22.4	0	0	111.5	R44 V45 K46 K51 I52	R44-Q48 WeakPolarHBondContact O-CB 3.35Å; R44-Q48 VanDerWaalsContact O-CG 3.32Å; R44-Q48 WeakPolarHBondContact O-CG 3.32Å; R44-Q48 PolarHBondContact O-N 3.32Å; V45-Q48 PolarHBondContact O-N 2.85Å; K46-Q48 PolarHBondContact O-N 3.36Å; Q48-K51 PolarHBondContact O-N 3.44Å; Q48-I52 VanDerWaalsContact O-CG1 3.32Å; Q48-I52 WeakPolarHBondContact O-CG1 3.48Å; Q48-I52 PolarHBondContact O-N 2.87Å
49	Q	88.7	Confident	89.7	Confident	108 Å²	108	111.7 Å²	111.7	51%	0.505	53%	0.526	S	S	.	.	H	α-helix	trans	-60.2	-47.8	174.5	-76	174.6	-19.5	0	0	111.3	V45 K46 K51 I52 I53	V45-Q49 HydrophobicContact CG1-CG 4.4Å; V45-Q49 WeakPolarHBondContact O-CB 3.42Å; V45-Q49 WeakPolarHBondContact O-CG 3.32Å; V45-Q49 PolarHBondContact O-N 3.17Å; K46-Q49 PolarHBondContact O-N 3.47Å; Q49-K51 VanDerWaalsContact C-N 3.28Å; Q49-K51 PolarHBondContact O-N 2.59Å; Q49-I52 WeakPolarHBondContact O-CB 3.31Å; Q49-I52 PolarHBondContact O-N 3.23Å; Q49-I52 VanDerWaalsContact O-N 3.13Å; Q49-I53 WeakPolarHBondContact O-CG1 3.43Å; Q49-I53 PolarHBondContact O-N 3.35Å
50	L	91.9	Very high	88.3	Confident	106 Å²	106	108 Å²	108	56%	0.555	52%	0.515	S	S	*	.	H	α-helix	trans	-59.8	-39.1	175.5	-72.9	171.4	0	0	0	112.1	K46 Q47 I53 Q54	K46-L50 WeakPolarHBondContact O-CG 3.43Å; K46-L50 PolarHBondContact O-N 2.82Å; Q47-L50 PolarHBondContact O-N 3.3Å; L50-I53 PolarHBondContact O-N 3.17Å; L50-Q54 WeakPolarHBondContact O-CB 3.46Å; L50-Q54 WeakPolarHBondContact O-CG 3.15Å; L50-Q54 PolarHBondContact O-N 3.48Å
51	K	92.4	Very high	86.7	Confident	140 Å²	140	108.5 Å²	108.5	61%	0.609	52%	0.517	S	S	*	.	H	α-helix	trans	-67.3	-38.5	176.6	-161.4	174.9	-173.5	177.6	0	111.8	Q47 Q48 Q49 Q54 L55	Q47-K51 WeakPolarHBondContact O-CB 3.41Å; Q47-K51 PolarHBondContact O-N 3.21Å; Q48-K51 PolarHBondContact O-N 3.44Å; Q49-K51 VanDerWaalsContact C-N 3.28Å; Q49-K51 PolarHBondContact O-N 2.59Å; K51-Q54 PolarHBondContact O-N 2.87Å; K51-L55 HydrophobicContact CG-CD1 4.48Å; K51-L55 WeakPolarHBondContact O-CB 3.48Å; K51-L55 WeakPolarHBondContact O-CG 3.2Å; K51-L55 PolarHBondContact O-N 3.39Å
52	I	92.8	Very high	84.8	Confident	98 Å²	98	110.1 Å²	110.1	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-62.4	-47.7	173.1	-71.5	164.2	0	0	0	109.7	Q48 Q49 Q54 L55 L56	Q48-I52 VanDerWaalsContact O-CG1 3.32Å; Q48-I52 WeakPolarHBondContact O-CG1 3.48Å; Q48-I52 PolarHBondContact O-N 2.87Å; Q49-I52 WeakPolarHBondContact O-CB 3.31Å; Q49-I52 PolarHBondContact O-N 3.23Å; Q49-I52 VanDerWaalsContact O-N 3.13Å; I52-Q54 PolarHBondContact O-N 3.48Å; I52-L55 PolarHBondContact O-N 3.35Å; I52-L55 VanDerWaalsContact O-N 3.11Å; I52-L56 HydrophobicContact CG2-CD1 3.87Å; I52-L56 HydrophobicContact CG2-CG 4.27Å; I52-L56 VanDerWaalsContact O-CG 3.3Å; I52-L56 WeakPolarHBondContact O-CG 3.27Å; I52-L56 PolarHBondContact O-N 2.94Å
53	I	89.6	Confident	82.9	Confident	62 Å²	62	110.8 Å²	110.8	32%	0.318	52%	0.522	S	S	.	.	H	α-helix	trans	-58.2	-48.9	177.2	-67.9	165.9	0	0	0	110.4	Q49 L50 L55 L56 E57	Q49-I53 WeakPolarHBondContact O-CG1 3.43Å; Q49-I53 PolarHBondContact O-N 3.35Å; L50-I53 PolarHBondContact O-N 3.17Å; I53-L55 VanDerWaalsContact C-N 3.28Å; I53-L55 PolarHBondContact O-N 3.23Å; I53-L56 WeakPolarHBondContact O-CB 3.45Å; I53-L56 PolarHBondContact O-N 3.34Å; I53-L56 VanDerWaalsContact O-N 3.1Å; I53-E57 HydrophobicContact CG2-CG 4.4Å; I53-E57 WeakPolarHBondContact O-CG 3.32Å; I53-E57 PolarHBondContact O-N 2.96Å
54	Q	87.7	Confident	80.7	Confident	109 Å²	109	110.6 Å²	110.6	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-60.2	-35.8	176.1	-76	179.1	-5.5	0	0	113.2	L50 K51 I52 K58	L50-Q54 WeakPolarHBondContact O-CB 3.46Å; L50-Q54 WeakPolarHBondContact O-CG 3.15Å; L50-Q54 PolarHBondContact O-N 3.48Å; K51-Q54 PolarHBondContact O-N 2.87Å; I52-Q54 PolarHBondContact O-N 3.48Å; Q54-K58 VanDerWaalsContact O-CB 3.3Å; Q54-K58 WeakPolarHBondContact O-CB 3.3Å; Q54-K58 VanDerWaalsContact O-CG 3.24Å; Q54-K58 WeakPolarHBondContact O-CG 3.32Å; Q54-K58 PolarHBondContact O-N 3.1Å
55	L	87.8	Confident	78.4	Confident	106 Å²	106	111.2 Å²	111.2	56%	0.555	53%	0.534	S	S	*	.	H	α-helix	trans	-71.5	-37.1	176.1	-74.2	169.4	0	0	0	111.6	K51 I52 I53 K59	K51-L55 HydrophobicContact CG-CD1 4.48Å; K51-L55 WeakPolarHBondContact O-CB 3.48Å; K51-L55 WeakPolarHBondContact O-CG 3.2Å; K51-L55 PolarHBondContact O-N 3.39Å; I52-L55 PolarHBondContact O-N 3.35Å; I52-L55 VanDerWaalsContact O-N 3.11Å; I53-L55 VanDerWaalsContact C-N 3.28Å; I53-L55 PolarHBondContact O-N 3.23Å; L55-K59 VanDerWaalsContact O-CB 3.27Å; L55-K59 WeakPolarHBondContact O-CB 3.44Å; L55-K59 PolarHBondContact O-N 2.98Å
56	L	78.4	Confident	76.1	Confident	102 Å²	102	117 Å²	117	53%	0.534	55%	0.548	S	S	.	.	H	α-helix	trans	-66.6	-44.7	174.4	-69	173.3	0	0	0	110.8	I52 I53 K59 E60	I52-L56 HydrophobicContact CG2-CD1 3.87Å; I52-L56 HydrophobicContact CG2-CG 4.27Å; I52-L56 VanDerWaalsContact O-CG 3.3Å; I52-L56 WeakPolarHBondContact O-CG 3.27Å; I52-L56 PolarHBondContact O-N 2.94Å; I53-L56 WeakPolarHBondContact O-CB 3.45Å; I53-L56 PolarHBondContact O-N 3.34Å; I53-L56 VanDerWaalsContact O-N 3.1Å; L56-K59 WeakPolarHBondContact O-CB 3.22Å; L56-K59 PolarHBondContact O-N 3.32Å; L56-E60 WeakPolarHBondContact O-CB 3.4Å; L56-E60 PolarHBondContact O-N 2.87Å
57	E	78.8	Confident	73.7	Confident	94 Å²	94	114.4 Å²	114.4	44%	0.439	56%	0.555	S	S	.	*	H	α-helix	trans	-62	-44.5	173.8	-73	179	160	0	0	111.6	I53 K59 E60 I61	I53-E57 HydrophobicContact CG2-CG 4.4Å; I53-E57 WeakPolarHBondContact O-CG 3.32Å; I53-E57 PolarHBondContact O-N 2.96Å; E57-K59 VanDerWaalsContact C-N 3.29Å; E57-K59 PolarHBondContact O-N 3.02Å; E57-E60 WeakPolarHBondContact O-CB 3.46Å; E57-E60 PolarHBondContact O-N 3.5Å; E57-I61 VanDerWaalsContact O-CG1 3.3Å; E57-I61 WeakPolarHBondContact O-CG1 3.48Å; E57-I61 PolarHBondContact O-N 3.47Å
58	K	76.6	Confident	71.4	Confident	138 Å²	138	111.1 Å²	111.1	60%	0.6	56%	0.558	S	S	*	*	H	α-helix	trans	-62.1	-37.4	174.5	-79.6	178.8	179.9	-176.4	0	112.3	Q54 Q62	Q54-K58 VanDerWaalsContact O-CB 3.3Å; Q54-K58 WeakPolarHBondContact O-CB 3.3Å; Q54-K58 VanDerWaalsContact O-CG 3.24Å; Q54-K58 WeakPolarHBondContact O-CG 3.32Å; Q54-K58 PolarHBondContact O-N 3.1Å; K58-Q62 VanDerWaalsContact O-CB 3.25Å; K58-Q62 WeakPolarHBondContact O-CB 3.37Å; K58-Q62 PolarHBondContact O-N 3.13Å
59	K	74.5	Confident	69.7	Low	145 Å²	145	112.1 Å²	112.1	63%	0.63	56%	0.563	S	S	*	*	H	α-helix	trans	-68.4	-37.9	175.4	-173.9	-178.1	177.6	-174.2	0	111.4	L55 L56 E57 Q62 Y63	L55-K59 VanDerWaalsContact O-CB 3.27Å; L55-K59 WeakPolarHBondContact O-CB 3.44Å; L55-K59 PolarHBondContact O-N 2.98Å; L56-K59 WeakPolarHBondContact O-CB 3.22Å; L56-K59 PolarHBondContact O-N 3.32Å; E57-K59 VanDerWaalsContact C-N 3.29Å; E57-K59 PolarHBondContact O-N 3.02Å; K59-Q62 PolarHBondContact O-N 2.91Å; K59-Y63 WeakPolarHBondContact O-CB 3.25Å; K59-Y63 PolarHBondContact O-N 3.38Å
60	E	66.1	Low	68.5	Low	79 Å²	79	113 Å²	113	37%	0.369	57%	0.571	S	S	.	*	H	α-helix	trans	-66.7	-44.3	175.5	-169.1	167.7	-161	0	0	111	L56 E57 Y63 N64 K297	L56-E60 WeakPolarHBondContact O-CB 3.4Å; L56-E60 PolarHBondContact O-N 2.87Å; E57-E60 WeakPolarHBondContact O-CB 3.46Å; E57-E60 PolarHBondContact O-N 3.5Å; E60-Y63 WeakPolarHBondContact O-CB 3.43Å; E60-Y63 PolarHBondContact O-N 3.11Å; E60-N64 WeakPolarHBondContact O-CB 3.36Å; E60-N64 PolarHBondContact O-N 2.97Å; E60-N64 PolarHBondContact O-ND2 3.46Å; E60-K297 IonicContact OE2-NZ 3.51Å
61	I	61.8	Low	68	Low	112 Å²	112	109.5 Å²	109.5	57%	0.574	55%	0.553	S	S	*	*	H	α-helix	trans	-62.3	-45.2	172.2	-67	165.9	0	0	0	110.8	E57 Y63 N64 D65	E57-I61 VanDerWaalsContact O-CG1 3.3Å; E57-I61 WeakPolarHBondContact O-CG1 3.48Å; E57-I61 PolarHBondContact O-N 3.47Å; I61-Y63 VanDerWaalsContact C-N 3.26Å; I61-Y63 PolarHBondContact O-N 2.94Å; I61-N64 CarbonylContact O-C 3.56Å; I61-N64 PolarHBondContact O-N 3.29Å; I61-N64 VanDerWaalsContact O-N 3.13Å; I61-D65 WeakPolarHBondContact O-CB 3.39Å; I61-D65 PolarHBondContact O-N 3.45Å
62	Q	56.4	Low	67.8	Low	132 Å²	132	105.7 Å²	105.7	62%	0.617	54%	0.541	S	S	*	.	H	α-helix	trans	-63.9	-31.6	177.2	-171.9	179.6	24.4	0	0	112.6	K58 K59	K58-Q62 VanDerWaalsContact O-CB 3.25Å; K58-Q62 WeakPolarHBondContact O-CB 3.37Å; K58-Q62 PolarHBondContact O-N 3.13Å; K59-Q62 PolarHBondContact O-N 2.91Å
63	Y	52.5	Low	67.7	Low	116 Å²	116	102.8 Å²	102.8	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-71.2	-40.6	172.3	-173.2	-92.5	0	0	0	111.3	K59 E60 I61 R66 A151 N152	K59-Y63 WeakPolarHBondContact O-CB 3.25Å; K59-Y63 PolarHBondContact O-N 3.38Å; E60-Y63 WeakPolarHBondContact O-CB 3.43Å; E60-Y63 PolarHBondContact O-N 3.11Å; I61-Y63 VanDerWaalsContact C-N 3.26Å; I61-Y63 PolarHBondContact O-N 2.94Å; Y63-R66 PolarHBondContact O-N 2.83Å; Y63-A151 HydrophobicContact CE1-CB 4.25Å; Y63-A151 VanDerWaalsContact OH-CB 3.27Å; Y63-A151 WeakPolarHBondContact OH-CB 3.25Å; Y63-N152 VanDerWaalsContact CD1-ND2 3.25Å; Y63-N152 WeakPolarHBondContact CD1-ND2 3.4Å; Y63-N152 WeakPolarHBondContact CE1-ND2 3.34Å
64	N	49.9	Very low	67.7	Low	87 Å²	87	106.5 Å²	106.5	47%	0.465	55%	0.547	S	S	.	.	H	α-helix	trans	-71.7	-28.5	177.9	-68.8	-17	0	0	0	113.3	E60 I61 R66 G67 N152	E60-N64 WeakPolarHBondContact O-CB 3.36Å; E60-N64 PolarHBondContact O-N 2.97Å; E60-N64 PolarHBondContact O-ND2 3.46Å; I61-N64 CarbonylContact O-C 3.56Å; I61-N64 PolarHBondContact O-N 3.29Å; I61-N64 VanDerWaalsContact O-N 3.13Å; N64-R66 VanDerWaalsContact C-N 3.26Å; N64-R66 PolarHBondContact O-N 3.5Å; N64-G67 PolarHBondContact O-N 2.89Å; N64-N152 PolarHBondContact OD1-ND2 3.08Å
65	D	47.3	Very low	67.8	Low	145 Å²	145	103.6 Å²	103.6	78%	0.775	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-11.1	176.1	-146	25.4	0	0	0	112.4	I61 G67	I61-D65 WeakPolarHBondContact O-CB 3.39Å; I61-D65 PolarHBondContact O-N 3.45Å; D65-G67 PolarHBondContact O-N 2.83Å; D65-G67 VanDerWaalsContact O-N 3.09Å
66	R	47.6	Very low	67.4	Low	193 Å²	193	100.9 Å²	100.9	73%	0.728	53%	0.532	S	S	*	.			trans	-78.8	38.9	160.2	-68.4	-175.9	178.1	-174.5	-0.8	111.6	Y63 N64 G68	Y63-R66 PolarHBondContact O-N 2.83Å; N64-R66 VanDerWaalsContact C-N 3.26Å; N64-R66 PolarHBondContact O-N 3.5Å; R66-G68 PolarHBondContact O-N 3.1Å
67	G	42.2	Very low	67.1	Low	66 Å²	66	99.6 Å²	99.6	68%	0.68	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	107.2	171	0	0	0	0	0	110	N64 D65	N64-G67 PolarHBondContact O-N 2.89Å; D65-G67 PolarHBondContact O-N 2.83Å; D65-G67 VanDerWaalsContact O-N 3.09Å
68	G	44.1	Very low	66.9	Low	68 Å²	68	104.6 Å²	104.6	70%	0.701	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	157.1	-9.7	172.3	0	0	0	0	0	117.4	R66 N70	R66-G68 PolarHBondContact O-N 3.1Å; G68-N70 PolarHBondContact O-N 3.4Å
69	E	56.4	Low	67.4	Low	148 Å²	148	104.3 Å²	104.3	69%	0.692	56%	0.559	S	S	*	*			trans	-86.4	104.4	172.7	-73.7	-178.1	-177.8	0	0	109.3	N71	E69-N71 PolarHBondContact O-N 2.87Å; E69-N71 PolarHBondContact O-ND2 3.25Å
70	N	63.5	Low	68.3	Low	126 Å²	126	102.2 Å²	102.2	67%	0.674	55%	0.551	S	S	*	*			trans	-51	109.1	159.5	-79.1	-24.3	0	0	0	107.2	G68 V72 V149	G68-N70 PolarHBondContact O-N 3.4Å; N70-V72 PolarHBondContact O-N 3.45Å; N70-V149 HydrophobicContact CB-CG1 4.28Å; N70-V149 WeakPolarHBondContact OD1-CG1 3.2Å
71	N	81	Confident	69.7	Low	33 Å²	33	99.1 Å²	99.1	18%	0.176	54%	0.536	C	S	.	.			trans	-78.9	14.7	-178.9	-72.8	-81.2	0	0	0	112.3	E69 I73 G96 F97 V149 A151	E69-N71 PolarHBondContact O-N 2.87Å; E69-N71 PolarHBondContact O-ND2 3.25Å; N71-I73 PolarHBondContact O-N 2.9Å; N71-G96 CarbonylContact O-C 3.59Å; N71-F97 HydrophobicContact CB-CD2 4.19Å; N71-F97 PolarHBondContact O-N 3.17Å; N71-V149 WeakPolarHBondContact CB-O 3.28Å; N71-V149 PolarHBondContact N-O 3.09Å; N71-V149 PolarHBondContact ND2-O 3.36Å; N71-A151 WeakPolarHBondContact ND2-CB 3.45Å; N71-A151 PolarHBondContact ND2-N 2.92Å
72	V	89.5	Confident	71.4	Confident	61 Å²	61	94.3 Å²	94.3	37%	0.37	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	116.6	176.8	-175.8	0	0	0	0	108.3	N70 F97 L110	N70-V72 PolarHBondContact O-N 3.45Å; V72-F97 CarbonylContact C-O 3.59Å; V72-F97 WeakPolarHBondContact CA-O 2.98Å; V72-F97 HydrophobicContact CG2-CB 4.13Å; V72-L110 HydrophobicContact CG1-CD2 3.98Å; V72-L110 HydrophobicContact CG2-CD1 4.32Å
73	I	90.6	Very high	73.3	Confident	37 Å²	37	88.1 Å²	88.1	19%	0.19	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.1	179.8	-61.2	170.8	0	0	0	107.9	N71 L75 Q94 F97 Y98	N71-I73 PolarHBondContact O-N 2.9Å; I73-L75 HydrophobicContact CG2-CD2 4.11Å; I73-Q94 HydrophobicContact CD1-CB 4.08Å; I73-Q94 HydrophobicContact CD1-CG 3.8Å; I73-F97 PolarHBondContact N-O 2.03Å; I73-Y98 HydrophobicContact CB-CD1 4.07Å; I73-Y98 HydrophobicContact CB-CE1 3.65Å; I73-Y98 HydrophobicContact CB-CE2 4.48Å; I73-Y98 HydrophobicContact CD1-CE1 4.19Å; I73-Y98 HydrophobicContact CD1-CE2 3.85Å; I73-Y98 WeakPolarHBondContact CD1-OH 3.4Å; I73-Y98 HydrophobicContact CG2-CD1 4.23Å; I73-Y98 HydrophobicContact CG2-CE1 3.5Å; I73-Y98 VanDerWaalsContact CG2-CE1 3.5Å
74	D	88.9	Confident	75.5	Confident	140 Å²	140	82.6 Å²	82.6	75%	0.749	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-89.6	121.1	175.6	-174.4	8.9	0	0	0	110.6	G76	D74-G76 VanDerWaalsContact C-N 3.33Å; D74-G76 PolarHBondContact OD1-N 2.87Å
75	L	89.9	Confident	77.7	Confident	47 Å²	47	78.7 Å²	78.7	25%	0.246	44%	0.442	C	S	.	.			trans	-90.7	5.3	178.2	-60.8	-177.1	0	0	0	112.9	I73 Y81 I87 H92 Y98	I73-L75 HydrophobicContact CG2-CD2 4.11Å; L75-Y81 HydrophobicContact CB-CE2 4.32Å; L75-Y81 HydrophobicContact CD1-CD2 3.79Å; L75-Y81 HydrophobicContact CD1-CE2 3.34Å; L75-Y81 HydrophobicContact CG-CE2 4.46Å; L75-I87 HydrophobicContact CD1-CG1 4.36Å; L75-I87 HydrophobicContact CD1-CG2 4.16Å; L75-H92 VanDerWaalsContact CD2-CE1 3.47Å; L75-H92 WeakPolarHBondContact CD2-CE1 3.35Å; L75-Y98 HydrophobicContact CD1-CD1 3.79Å; L75-Y98 HydrophobicContact CD1-CE1 4.05Å; L75-Y98 HydrophobicContact CD2-CD1 4.32Å; L75-Y98 HydrophobicContact CD2-CE1 3.92Å; L75-Y98 HydrophobicContact CG-CD1 3.99Å; L75-Y98 HydrophobicContact CG-CE1 4.11Å
76	G	79.5	Confident	80.1	Confident	49 Å²	49	75 Å²	75	51%	0.505	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	21.7	171.3	0	0	0	0	0	114.8	D74 K78	D74-G76 VanDerWaalsContact C-N 3.33Å; D74-G76 PolarHBondContact OD1-N 2.87Å; G76-K78 PolarHBondContact O-N 3.05Å
77	G	72.8	Confident	82.4	Confident	75 Å²	75	65.8 Å²	65.8	77%	0.773	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	12	166.6	0	0	0	0	0	117.3
78	K	73.1	Confident	85	Confident	199 Å²	199	64.3 Å²	64.3	87%	0.865	36%	0.359	S	S	*	.	S	Bend	trans	-77.4	-27.7	-176.5	-64	-176.2	-176.7	175.5	0	113.9	G76	G76-K78 PolarHBondContact O-N 3.05Å
79	R	88.4	Confident	87.4	Confident	132 Å²	132	63 Å²	63	50%	0.498	34%	0.337	S	S	.	.	S	Bend	trans	-139.8	139.1	-176.7	178.6	173	178.1	167	5.3	108.5	Y81 D90	R79-Y81 HydrophobicContact CB-CE2 4.23Å; R79-Y81 HydrophobicContact CG-CD1 4.42Å; R79-Y81 HydrophobicContact CG-CE1 4Å; R79-Y81 HydrophobicContact CG-CE2 4.37Å; R79-D90 IonicContact CZ-OD1 3.37Å; R79-D90 IonicContact NH1-OD1 3.06Å; R79-D90 PolarHBondContact NH1-OD1 3.39Å
80	Q	92	Very high	89.2	Confident	101 Å²	101	59.4 Å²	59.4	47%	0.472	32%	0.322	S	S	.	.			trans	-91.5	128.2	170.8	-174.5	153.4	68.6	0	0	108.5	K101 E108	Q80-K101 VanDerWaalsContact CD-CD 3.43Å; Q80-K101 HydrophobicContact CG-CB 3.76Å; Q80-K101 HydrophobicContact CG-CD 4.5Å; Q80-E108 PolarHBondContact NE2-OE1 2.83Å
81	Y	96	Very high	90.7	Very high	14 Å²	14	55.5 Å²	55.5	6%	0.055	31%	0.312	C	S	.	.			trans	-104.9	134.9	178.2	-62.4	-78.3	0	0	0	109.7	L75 R79 E86 I87 D90 M100 K101	L75-Y81 HydrophobicContact CB-CE2 4.32Å; L75-Y81 HydrophobicContact CD1-CD2 3.79Å; L75-Y81 HydrophobicContact CD1-CE2 3.34Å; L75-Y81 HydrophobicContact CG-CE2 4.46Å; R79-Y81 HydrophobicContact CB-CE2 4.23Å; R79-Y81 HydrophobicContact CG-CD1 4.42Å; R79-Y81 HydrophobicContact CG-CE1 4Å; R79-Y81 HydrophobicContact CG-CE2 4.37Å; Y81-E86 HydrophobicContact CD1-CB 3.94Å; Y81-I87 VanDerWaalsContact CB-CG1 3.47Å; Y81-I87 HydrophobicContact CD1-CB 4.46Å; Y81-I87 HydrophobicContact CD1-CG1 3.69Å; Y81-I87 HydrophobicContact CD2-CD1 4.39Å; Y81-I87 HydrophobicContact CD2-CG1 3.77Å; Y81-I87 HydrophobicContact CE1-CG1 4.36Å; Y81-I87 HydrophobicContact CE2-CG1 4.43Å; Y81-I87 HydrophobicContact CG-CD1 4.18Å; Y81-I87 HydrophobicContact CG-CG1 3.34Å; Y81-D90 HydrophobicContact CE1-CB 3.8Å; Y81-D90 VanDerWaalsContact OH-CG 3.3Å; Y81-D90 PolarHBondContact OH-OD2 2.64Å; Y81-M100 CarbonylContact O-C 3.58Å; Y81-M100 WeakPolarHBondContact O-CA 3.47Å; Y81-M100 WeakPolarHBondContact O-CB 3.35Å; Y81-K101 PolarHBondContact O-N 3Å
82	S	96.8	Very high	91.3	Very high	11 Å²	11	56.7 Å²	56.7	8%	0.077	32%	0.316	C	S	.	.	S	Bend	trans	-77.3	-31.8	179.4	69.6	0	0	0	0	112.6	E86	S82-E86 WeakPolarHBondContact CB-OE1 3.44Å; S82-E86 PolarHBondContact N-OE2 3.42Å; S82-E86 PolarHBondContact OG-OE1 2.83Å; S82-E86 PolarHBondContact OG-OE2 3.47Å
83	D	97.6	Very high	91.5	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.011	32%	0.317	C	S	.	.	S	Bend	trans	-161	-177.6	179.6	63.7	29.1	0	0	0	112.7	A85 E86 I87 L165 Y171 P305	D83-A85 VanDerWaalsContact C-N 3.27Å; D83-A85 PolarHBondContact O-N 3.23Å; D83-A85 WeakPolarHBondContact OD1-CA 3.41Å; D83-A85 VanDerWaalsContact OD1-CB 3.26Å; D83-A85 WeakPolarHBondContact OD1-CB 3.35Å; D83-A85 PolarHBondContact OD1-N 3.08Å; D83-E86 PolarHBondContact OD1-N 2.92Å; D83-I87 WeakPolarHBondContact O-CG1 3.26Å; D83-I87 PolarHBondContact O-N 2.91Å; D83-L165 HydrophobicContact CB-CD2 4.14Å; D83-Y171 PolarHBondContact OD2-OH 2.92Å; D83-P305 VanDerWaalsContact OD2-CG 3.29Å; D83-P305 WeakPolarHBondContact OD2-CG 3.48Å
84	C	97.9	Very high	91.6	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-67	-23.1	177.9	-64.9	0	0	0	0	114.4	Y88 M100 C113 M115 T122	C84-Y88 VanDerWaalsContact O-CB 3.31Å; C84-Y88 WeakPolarHBondContact O-CB 3.4Å; C84-Y88 PolarHBondContact O-N 2.89Å; C84-M100 VanDerWaalsContact SG-CE 3.57Å; C84-C113 VanDerWaalsContact CA-SG 3.52Å; C84-C113 HydrophobicContact CB-CB 3.6Å; C84-C113 WeakPolarHBondContact CB-SG 3.49Å; C84-C113 WeakPolarHBondContact SG-CA 3.25Å; C84-C113 WeakPolarHBondContact SG-CB 3.42Å; C84-C113 CovalentContact SG-SG 2.03Å; C84-C113 PolarHBondContact SG-SG 3.21Å; C84-M115 HydrophobicContact CB-CE 4.47Å; C84-T122 WeakPolarHBondContact CB-OG1 3.32Å; C84-T122 PolarHBondContact N-OG1 3.34Å; C84-T122 VanDerWaalsContact SG-CA 3.58Å; C84-T122 PolarHBondContact SG-OG1 3.14Å
85	A	97.5	Very high	92	Very high	5 Å²	5	58 Å²	58	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-71.9	-41.9	-179.9	0	0	0	0	0	110.7	D83 Y88 N89 G120 R304 P305 F308	D83-A85 VanDerWaalsContact C-N 3.27Å; D83-A85 PolarHBondContact O-N 3.23Å; D83-A85 WeakPolarHBondContact OD1-CA 3.41Å; D83-A85 VanDerWaalsContact OD1-CB 3.26Å; D83-A85 WeakPolarHBondContact OD1-CB 3.35Å; D83-A85 PolarHBondContact OD1-N 3.08Å; A85-Y88 PolarHBondContact O-N 3.44Å; A85-N89 WeakPolarHBondContact O-CB 3.45Å; A85-N89 PolarHBondContact O-N 2.76Å; A85-G120 PolarHBondContact N-O 3.46Å; A85-R304 HydrophobicContact CB-CG 4.38Å; A85-P305 HydrophobicContact CB-CG 3.94Å; A85-F308 HydrophobicContact CB-CD2 3.61Å; A85-F308 HydrophobicContact CB-CE2 3.89Å; A85-F308 HydrophobicContact CB-CG 4.39Å
86	E	96.4	Very high	92.2	Very high	68 Å²	68	55.7 Å²	55.7	32%	0.318	30%	0.304	S	S	.	.	H	α-helix	trans	-62.5	-44.2	171.5	-71.5	-173.4	-173.3	0	0	112.1	Y81 S82 D83 Y88 N89 D90	Y81-E86 HydrophobicContact CD1-CB 3.94Å; S82-E86 WeakPolarHBondContact CB-OE1 3.44Å; S82-E86 PolarHBondContact N-OE2 3.42Å; S82-E86 PolarHBondContact OG-OE1 2.83Å; S82-E86 PolarHBondContact OG-OE2 3.47Å; D83-E86 PolarHBondContact OD1-N 2.92Å; E86-Y88 VanDerWaalsContact C-N 3.28Å; E86-Y88 PolarHBondContact O-N 2.85Å; E86-N89 PolarHBondContact O-N 3.45Å; E86-N89 VanDerWaalsContact O-N 3.17Å; E86-D90 PolarHBondContact O-N 3.38Å
87	I	96.3	Very high	93	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.5	-45.7	176.6	-67.6	171.5	0	0	0	110.2	L75 Y81 D83 N89 D90 H92 Y98 M100 M115	L75-I87 HydrophobicContact CD1-CG1 4.36Å; L75-I87 HydrophobicContact CD1-CG2 4.16Å; Y81-I87 VanDerWaalsContact CB-CG1 3.47Å; Y81-I87 HydrophobicContact CD1-CB 4.46Å; Y81-I87 HydrophobicContact CD1-CG1 3.69Å; Y81-I87 HydrophobicContact CD2-CD1 4.39Å; Y81-I87 HydrophobicContact CD2-CG1 3.77Å; Y81-I87 HydrophobicContact CE1-CG1 4.36Å; Y81-I87 HydrophobicContact CE2-CG1 4.43Å; Y81-I87 HydrophobicContact CG-CD1 4.18Å; Y81-I87 HydrophobicContact CG-CG1 3.34Å; D83-I87 WeakPolarHBondContact O-CG1 3.26Å; D83-I87 PolarHBondContact O-N 2.91Å; I87-N89 PolarHBondContact O-N 3.19Å; I87-D90 PolarHBondContact O-N 3.02Å; I87-H92 HydrophobicContact CG2-CB 3.6Å; I87-H92 WeakPolarHBondContact O-CB 3.38Å; I87-H92 PolarHBondContact O-N 2.91Å; I87-Y98 HydrophobicContact CD1-CD1 4.09Å; I87-Y98 HydrophobicContact CD1-CG 3.88Å; I87-Y98 HydrophobicContact CG2-CD1 3.92Å; I87-Y98 HydrophobicContact CG2-CE1 3.87Å; I87-Y98 HydrophobicContact CG2-CG 4.3Å; I87-M100 HydrophobicContact CD1-CE 4.49Å; I87-M115 HydrophobicContact CB-CE 4.09Å; I87-M115 HydrophobicContact CG2-CE 3.58Å
88	Y	96.6	Very high	94.1	Very high	34 Å²	34	50 Å²	50	13%	0.133	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-42.7	177.8	-171.2	-93.9	0	0	0	111.8	C84 A85 E86 D90 G91 K93 M115 F308 P310	C84-Y88 VanDerWaalsContact O-CB 3.31Å; C84-Y88 WeakPolarHBondContact O-CB 3.4Å; C84-Y88 PolarHBondContact O-N 2.89Å; A85-Y88 PolarHBondContact O-N 3.44Å; E86-Y88 VanDerWaalsContact C-N 3.28Å; E86-Y88 PolarHBondContact O-N 2.85Å; Y88-D90 VanDerWaalsContact C-N 3.31Å; Y88-D90 PolarHBondContact O-N 2.87Å; Y88-G91 PolarHBondContact O-N 2.73Å; Y88-G91 VanDerWaalsContact O-N 3.1Å; Y88-K93 HydrophobicContact CD1-CD 4.2Å; Y88-K93 HydrophobicContact CD2-CD 3.53Å; Y88-K93 HydrophobicContact CE1-CD 3.99Å; Y88-K93 HydrophobicContact CE2-CD 3.31Å; Y88-K93 HydrophobicContact CE2-CG 4.46Å; Y88-K93 HydrophobicContact CG-CD 4Å; Y88-K93 WeakPolarHBondContact O-CE 3.42Å; Y88-K93 PolarHBondContact O-NZ 3.37Å; Y88-M115 HydrophobicContact CD2-CB 4.03Å; Y88-M115 HydrophobicContact CD2-CG 4.17Å; Y88-M115 HydrophobicContact CD2-SD 3.57Å; Y88-M115 VanDerWaalsContact CD2-SD 3.57Å; Y88-M115 HydrophobicContact CE2-CB 4.12Å; Y88-M115 HydrophobicContact CG-SD 4.27Å; Y88-F308 HydrophobicContact CD1-CE2 4.15Å; Y88-F308 AromaticContact CD1-CZ 3.57Å; Y88-F308 HydrophobicContact CD1-CZ 3.57Å; Y88-F308 HydrophobicContact CE1-CZ 4.01Å; Y88-F308 HydrophobicContact CG-CZ 4.31Å; Y88-P310 HydrophobicContact CE1-CB 4.12Å
89	N	95.6	Very high	95.1	Very high	42 Å²	42	46.2 Å²	46.2	23%	0.225	23%	0.227	C	C	.	.	H	α-helix	trans	-74.9	-17.6	-178.9	-86.5	-6.3	0	0	0	114.1	A85 E86 I87 G91 E309 N311	A85-N89 WeakPolarHBondContact O-CB 3.45Å; A85-N89 PolarHBondContact O-N 2.76Å; E86-N89 PolarHBondContact O-N 3.45Å; E86-N89 VanDerWaalsContact O-N 3.17Å; I87-N89 PolarHBondContact O-N 3.19Å; N89-G91 PolarHBondContact O-N 3.48Å; N89-E309 PolarHBondContact ND2-O 2.76Å; N89-E309 VanDerWaalsContact ND2-O 3.15Å; N89-N311 WeakPolarHBondContact CB-ND2 3.25Å; N89-N311 PolarHBondContact O-ND2 2.82Å; N89-N311 PolarHBondContact OD1-N 3.03Å
90	D	94.1	Very high	95.5	Very high	72 Å²	72	40 Å²	40	39%	0.385	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.4	167.6	-151.1	74.8	0	0	0	112.8	R79 Y81 E86 I87 Y88 H92	R79-D90 IonicContact CZ-OD1 3.37Å; R79-D90 IonicContact NH1-OD1 3.06Å; R79-D90 PolarHBondContact NH1-OD1 3.39Å; Y81-D90 HydrophobicContact CE1-CB 3.8Å; Y81-D90 VanDerWaalsContact OH-CG 3.3Å; Y81-D90 PolarHBondContact OH-OD2 2.64Å; E86-D90 PolarHBondContact O-N 3.38Å; I87-D90 PolarHBondContact O-N 3.02Å; Y88-D90 VanDerWaalsContact C-N 3.31Å; Y88-D90 PolarHBondContact O-N 2.87Å; D90-H92 IonicContact OD2-NE2 3.09Å
91	G	93.4	Very high	95.7	Very high	44 Å²	44	37.9 Å²	37.9	45%	0.454	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	101	2.5	174.7	0	0	0	0	0	114.6	Y88 N89 K93	Y88-G91 PolarHBondContact O-N 2.73Å; Y88-G91 VanDerWaalsContact O-N 3.1Å; N89-G91 PolarHBondContact O-N 3.48Å; G91-K93 PolarHBondContact O-N 2.86Å
92	H	93.9	Very high	95.7	Very high	58 Å²	58	37.2 Å²	37.2	27%	0.269	19%	0.191	S	C	.	.			trans	-82.5	98.9	175.7	-57.5	-61.4	0	0	0	110.5	L75 I87 D90 Y98 M115	L75-H92 VanDerWaalsContact CD2-CE1 3.47Å; L75-H92 WeakPolarHBondContact CD2-CE1 3.35Å; I87-H92 HydrophobicContact CG2-CB 3.6Å; I87-H92 WeakPolarHBondContact O-CB 3.38Å; I87-H92 PolarHBondContact O-N 2.91Å; D90-H92 IonicContact OD2-NE2 3.09Å; H92-Y98 HydrophobicContact CB-CE1 4.47Å; H92-M115 WeakPolarHBondContact O-CE 3.25Å
93	K	93.5	Very high	95.4	Very high	90 Å²	90	42.2 Å²	42.2	39%	0.391	22%	0.221	S	C	.	.			trans	-102.3	4.8	-173.4	-52	-60.4	-174.2	-176.4	0	114.6	Y88 G91 M115	Y88-K93 HydrophobicContact CD1-CD 4.2Å; Y88-K93 HydrophobicContact CD2-CD 3.53Å; Y88-K93 HydrophobicContact CE1-CD 3.99Å; Y88-K93 HydrophobicContact CE2-CD 3.31Å; Y88-K93 HydrophobicContact CE2-CG 4.46Å; Y88-K93 HydrophobicContact CG-CD 4Å; Y88-K93 WeakPolarHBondContact O-CE 3.42Å; Y88-K93 PolarHBondContact O-NZ 3.37Å; G91-K93 PolarHBondContact O-N 2.86Å; K93-M115 WeakPolarHBondContact O-CB 3.35Å
94	Q	94.4	Very high	95.2	Very high	130 Å²	130	48.8 Å²	48.8	61%	0.607	25%	0.252	S	S	*	.			trans	-83.7	132.5	178.9	-174.7	175.4	14.1	0	0	110	I73 Y98 M115	I73-Q94 HydrophobicContact CD1-CB 4.08Å; I73-Q94 HydrophobicContact CD1-CG 3.8Å; Q94-Y98 WeakPolarHBondContact O-CE2 3.21Å; Q94-Y98 PolarHBondContact O-OH 2.88Å; Q94-M115 WeakPolarHBondContact O-CG 3.22Å
95	S	95.6	Very high	95.1	Very high	44 Å²	44	49.1 Å²	49.1	31%	0.308	25%	0.254	S	S	.	.			trans	-73.3	139.1	170.7	-60.9	0	0	0	0	110.5	C113 M115	S95-C113 WeakPolarHBondContact CA-O 3.43Å; S95-C113 WeakPolarHBondContact CB-O 3.3Å; S95-M115 PolarHBondContact OG-N 3.41Å
96	G	95.4	Very high	94.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.5	178.3	-177.3	0	0	0	0	0	112.1	N71 Y98 F112 C113	N71-G96 CarbonylContact O-C 3.59Å; G96-Y98 VanDerWaalsContact O-CD2 3.25Å; G96-Y98 WeakPolarHBondContact O-CD2 3.36Å; G96-F112 CarbonylContact O-C 3.6Å; G96-F112 WeakPolarHBondContact O-CA 3.01Å; G96-C113 PolarHBondContact N-O 2.82Å; G96-C113 VanDerWaalsContact N-O 3.17Å; G96-C113 PolarHBondContact O-N 3.44Å
97	F	95.6	Very high	94.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	126.3	171.2	-74.8	-84.6	0	0	0	110.2	N71 V72 I73 A111 F112 F148 L150 Y155	N71-F97 HydrophobicContact CB-CD2 4.19Å; N71-F97 PolarHBondContact O-N 3.17Å; V72-F97 CarbonylContact C-O 3.59Å; V72-F97 WeakPolarHBondContact CA-O 2.98Å; V72-F97 HydrophobicContact CG2-CB 4.13Å; I73-F97 PolarHBondContact N-O 2.03Å; F97-A111 WeakPolarHBondContact CA-O 3.43Å; F97-F112 HydrophobicContact CD1-CB 4Å; F97-F112 AromaticContact CD2-CD2 3.85Å; F97-F112 HydrophobicContact CD2-CD2 3.85Å; F97-F112 HydrophobicContact CE1-CB 3.73Å; F97-F112 HydrophobicContact CE2-CB 4.42Å; F97-F112 AromaticContact CE2-CD2 3.71Å; F97-F112 HydrophobicContact CE2-CD2 3.71Å; F97-F112 HydrophobicContact CG-CB 4.45Å; F97-F112 HydrophobicContact CG-CD2 4.31Å; F97-F112 HydrophobicContact CZ-CB 3.95Å; F97-F112 HydrophobicContact CZ-CD2 4.06Å; F97-F112 HydrophobicContact CZ-CG 4.49Å; F97-F148 HydrophobicContact CD1-CB 4.3Å; F97-F148 HydrophobicContact CD1-CD1 4.47Å; F97-F148 WeakPolarHBondContact CD1-O 3.41Å; F97-F148 VanDerWaalsContact CD2-O 3.3Å; F97-F148 WeakPolarHBondContact CD2-O 3.49Å; F97-F148 HydrophobicContact CE1-CB 4.02Å; F97-F148 AromaticContact CE1-CD1 3.93Å; F97-F148 HydrophobicContact CE1-CD1 3.93Å; F97-F148 HydrophobicContact CE1-CG 4.41Å; F97-F148 VanDerWaalsContact CE2-C 3.47Å; F97-F148 VanDerWaalsContact CG-O 3.23Å; F97-F148 WeakPolarHBondContact CG-O 3.32Å; F97-F148 HydrophobicContact CZ-CB 4.47Å; F97-L150 WeakPolarHBondContact CE2-O 3.37Å; F97-Y155 HydrophobicContact CE1-CD1 4.47Å; F97-Y155 AromaticContact CE1-CE1 3.95Å; F97-Y155 HydrophobicContact CE1-CE1 3.95Å; F97-Y155 HydrophobicContact CZ-CD1 4.24Å; F97-Y155 AromaticContact CZ-CE1 3.85Å; F97-Y155 HydrophobicContact CZ-CE1 3.85Å
98	Y	95.5	Very high	94.8	Very high	4 Å²	4	59 Å²	59	2%	0.016	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	149.5	175	-69.7	-94.4	0	0	0	109.8	I73 L75 I87 H92 Q94 G96 L110 A111 C113 M115	I73-Y98 HydrophobicContact CB-CD1 4.07Å; I73-Y98 HydrophobicContact CB-CE1 3.65Å; I73-Y98 HydrophobicContact CB-CE2 4.48Å; I73-Y98 HydrophobicContact CD1-CE1 4.19Å; I73-Y98 HydrophobicContact CD1-CE2 3.85Å; I73-Y98 WeakPolarHBondContact CD1-OH 3.4Å; I73-Y98 HydrophobicContact CG2-CD1 4.23Å; I73-Y98 HydrophobicContact CG2-CE1 3.5Å; I73-Y98 VanDerWaalsContact CG2-CE1 3.5Å; L75-Y98 HydrophobicContact CD1-CD1 3.79Å; L75-Y98 HydrophobicContact CD1-CE1 4.05Å; L75-Y98 HydrophobicContact CD2-CD1 4.32Å; L75-Y98 HydrophobicContact CD2-CE1 3.92Å; L75-Y98 HydrophobicContact CG-CD1 3.99Å; L75-Y98 HydrophobicContact CG-CE1 4.11Å; I87-Y98 HydrophobicContact CD1-CD1 4.09Å; I87-Y98 HydrophobicContact CD1-CG 3.88Å; I87-Y98 HydrophobicContact CG2-CD1 3.92Å; I87-Y98 HydrophobicContact CG2-CE1 3.87Å; I87-Y98 HydrophobicContact CG2-CG 4.3Å; H92-Y98 HydrophobicContact CB-CE1 4.47Å; Q94-Y98 WeakPolarHBondContact O-CE2 3.21Å; Q94-Y98 PolarHBondContact O-OH 2.88Å; G96-Y98 VanDerWaalsContact O-CD2 3.25Å; G96-Y98 WeakPolarHBondContact O-CD2 3.36Å; Y98-L110 WeakPolarHBondContact O-CA 3.25Å; Y98-A111 PolarHBondContact N-O 3.26Å; Y98-A111 PolarHBondContact O-N 2.77Å; Y98-A111 VanDerWaalsContact O-N 3.09Å; Y98-C113 HydrophobicContact CD2-CB 3.56Å; Y98-C113 WeakPolarHBondContact CD2-SG 3.45Å; Y98-C113 HydrophobicContact CE2-CB 3.87Å; Y98-M115 HydrophobicContact CE2-CE 4.16Å
99	K	95.4	Very high	94.7	Very high	119 Å²	119	58.3 Å²	58.3	52%	0.517	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.8	168.6	-164.4	-178.8	-63.9	179.8	0	109.4	E108 F109 L110	K99-E108 HydrophobicContact CD-CB 3.81Å; K99-E108 HydrophobicContact CD-CG 4.38Å; K99-E108 WeakPolarHBondContact CD-OE2 3.43Å; K99-E108 HydrophobicContact CG-CB 3.86Å; K99-E108 IonicContact NZ-OE2 3.4Å; K99-F109 WeakPolarHBondContact CA-O 3.5Å; K99-L110 HydrophobicContact CB-CD2 4.04Å
100	M	95.9	Very high	94.7	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	159.3	177.7	64.5	-165	66.3	0	0	110.9	Y81 C84 I87 E108 F109 A111 T122 L165	Y81-M100 CarbonylContact O-C 3.58Å; Y81-M100 WeakPolarHBondContact O-CA 3.47Å; Y81-M100 WeakPolarHBondContact O-CB 3.35Å; C84-M100 VanDerWaalsContact SG-CE 3.57Å; I87-M100 HydrophobicContact CD1-CE 4.49Å; M100-E108 WeakPolarHBondContact O-CA 3.34Å; M100-F109 HydrophobicContact CG-CD2 4.09Å; M100-F109 HydrophobicContact CG-CE2 3.58Å; M100-F109 HydrophobicContact CG-CZ 3.92Å; M100-F109 PolarHBondContact N-O 2.77Å; M100-F109 PolarHBondContact O-N 3.26Å; M100-F109 HydrophobicContact SD-CE2 3.81Å; M100-F109 HydrophobicContact SD-CZ 4.3Å; M100-A111 HydrophobicContact CE-CB 3.7Å; M100-A111 HydrophobicContact SD-CB 3.92Å; M100-T122 HydrophobicContact CE-CG2 4.37Å; M100-T122 HydrophobicContact SD-CG2 3.9Å; M100-L165 HydrophobicContact SD-CD2 4.27Å
101	K	96.6	Very high	94.8	Very high	57 Å²	57	55.4 Å²	55.4	25%	0.248	29%	0.291	C	S	.	.			trans	-139.9	97.7	174.6	-169.6	-174.5	-177.6	176.7	0	108.7	Q80 Y81 S105 P106 E108	Q80-K101 VanDerWaalsContact CD-CD 3.43Å; Q80-K101 HydrophobicContact CG-CB 3.76Å; Q80-K101 HydrophobicContact CG-CD 4.5Å; Y81-K101 PolarHBondContact O-N 3Å; K101-S105 WeakPolarHBondContact CE-O 3.3Å; K101-P106 VanDerWaalsContact CE-O 3.31Å; K101-P106 WeakPolarHBondContact CE-O 3.46Å; K101-P106 PolarHBondContact NZ-O 2.87Å; K101-E108 HydrophobicContact CB-CB 4.43Å; K101-E108 HydrophobicContact CB-CG 4.05Å; K101-E108 HydrophobicContact CD-CG 4.17Å; K101-E108 HydrophobicContact CG-CG 4.33Å
102	P	96.3	Very high	95	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.273	C	S	.	.			trans	-50.5	148.5	169.8	-29.6	37.3	0	0	0	111.6	Q104 S105 F109 L165 Q168	P102-Q104 VanDerWaalsContact C-N 3.26Å; P102-Q104 PolarHBondContact O-N 3.01Å; P102-S105 VanDerWaalsContact O-CB 3.31Å; P102-S105 WeakPolarHBondContact O-CB 3.24Å; P102-S105 PolarHBondContact O-N 2.91Å; P102-F109 HydrophobicContact CG-CE1 3.56Å; P102-F109 HydrophobicContact CG-CZ 3.57Å; P102-L165 HydrophobicContact CG-CD2 3.65Å; P102-L165 HydrophobicContact CG-CG 3.83Å; P102-Q168 HydrophobicContact CB-CG 4.23Å
103	T	90.9	Very high	95.2	Very high	116 Å²	116	51.4 Å²	51.4	71%	0.712	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-42	-169.6	-57.1	0	0	0	0	114.1	Q168	T103-Q168 PolarHBondContact OG1-OE1 3.08Å
104	Q	93.1	Very high	95.3	Very high	140 Å²	140	48.1 Å²	48.1	65%	0.654	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-1.8	-178.7	-62.5	-174	11.3	0	0	113.6	P102 Y164	P102-Q104 VanDerWaalsContact C-N 3.26Å; P102-Q104 PolarHBondContact O-N 3.01Å; Q104-Y164 HydrophobicContact CB-CD1 4.13Å; Q104-Y164 HydrophobicContact CB-CE1 4.38Å; Q104-Y164 VanDerWaalsContact O-CE1 3.29Å; Q104-Y164 WeakPolarHBondContact O-CE1 3.35Å
105	S	95.3	Very high	95.4	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.042	22%	0.221	C	C	.	.			trans	-69	131.9	178.5	-175	0	0	0	0	110	K101 P102 N107	K101-S105 WeakPolarHBondContact CE-O 3.3Å; P102-S105 VanDerWaalsContact O-CB 3.31Å; P102-S105 WeakPolarHBondContact O-CB 3.24Å; P102-S105 PolarHBondContact O-N 2.91Å; S105-N107 VanDerWaalsContact C-N 3.31Å; S105-N107 PolarHBondContact O-N 2.81Å; S105-N107 PolarHBondContact OG-O 3.2Å
106	P	94.3	Very high	95.2	Very high	69 Å²	69	43 Å²	43	45%	0.448	22%	0.224	S	C	.	.	S	Bend	trans	-67.7	-34.9	175.9	26.5	-33.1	0	0	0	111.7	K101 Y164	K101-P106 VanDerWaalsContact CE-O 3.31Å; K101-P106 WeakPolarHBondContact CE-O 3.46Å; K101-P106 PolarHBondContact NZ-O 2.87Å; P106-Y164 HydrophobicContact CG-CE2 4.45Å
107	N	93.8	Very high	94.6	Very high	114 Å²	114	49.9 Å²	49.9	61%	0.61	26%	0.256	S	S	*	.	S	Bend	trans	-122.4	155.4	-171.8	-60.7	-42.3	0	0	0	111.6	S105	S105-N107 VanDerWaalsContact C-N 3.31Å; S105-N107 PolarHBondContact O-N 2.81Å; S105-N107 PolarHBondContact OG-O 3.2Å
108	E	95.1	Very high	94.2	Very high	99 Å²	99	51.5 Å²	51.5	46%	0.463	27%	0.273	S	S	.	.			trans	-79.8	149.3	169.9	-43.7	-169	125.7	0	0	110.1	Q80 K99 M100 K101	Q80-E108 PolarHBondContact NE2-OE1 2.83Å; K99-E108 HydrophobicContact CD-CB 3.81Å; K99-E108 HydrophobicContact CD-CG 4.38Å; K99-E108 WeakPolarHBondContact CD-OE2 3.43Å; K99-E108 HydrophobicContact CG-CB 3.86Å; K99-E108 IonicContact NZ-OE2 3.4Å; M100-E108 WeakPolarHBondContact O-CA 3.34Å; K101-E108 HydrophobicContact CB-CB 4.43Å; K101-E108 HydrophobicContact CB-CG 4.05Å; K101-E108 HydrophobicContact CD-CG 4.17Å; K101-E108 HydrophobicContact CG-CG 4.33Å
109	F	95.3	Very high	94.1	Very high	19 Å²	19	51.3 Å²	51.3	8%	0.083	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	165.3	173.2	60.3	-99.2	0	0	0	111.4	K99 M100 P102 A111 L157 N161 L165	K99-F109 WeakPolarHBondContact CA-O 3.5Å; M100-F109 HydrophobicContact CG-CD2 4.09Å; M100-F109 HydrophobicContact CG-CE2 3.58Å; M100-F109 HydrophobicContact CG-CZ 3.92Å; M100-F109 PolarHBondContact N-O 2.77Å; M100-F109 PolarHBondContact O-N 3.26Å; M100-F109 HydrophobicContact SD-CE2 3.81Å; M100-F109 HydrophobicContact SD-CZ 4.3Å; P102-F109 HydrophobicContact CG-CE1 3.56Å; P102-F109 HydrophobicContact CG-CZ 3.57Å; F109-A111 HydrophobicContact CD2-CB 4.37Å; F109-A111 HydrophobicContact CE2-CB 4.16Å; F109-L157 HydrophobicContact CD2-CD1 3.89Å; F109-L157 HydrophobicContact CE2-CD1 4.08Å; F109-L157 HydrophobicContact CE2-CD2 4.17Å; F109-N161 HydrophobicContact CD1-CB 4.02Å; F109-N161 VanDerWaalsContact CD1-OD1 3.3Å; F109-N161 WeakPolarHBondContact CD1-OD1 3.36Å; F109-N161 HydrophobicContact CD2-CB 4.46Å; F109-N161 HydrophobicContact CE1-CB 3.9Å; F109-N161 HydrophobicContact CE2-CB 4.39Å; F109-N161 HydrophobicContact CG-CB 4.3Å; F109-N161 HydrophobicContact CZ-CB 4.13Å; F109-L165 HydrophobicContact CE2-CD1 4.04Å; F109-L165 HydrophobicContact CE2-CG 4.47Å; F109-L165 HydrophobicContact CZ-CD1 3.78Å; F109-L165 HydrophobicContact CZ-CD2 4.07Å; F109-L165 HydrophobicContact CZ-CG 3.76Å
110	L	95.3	Very high	94.2	Very high	53 Å²	53	45.6 Å²	45.6	28%	0.277	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	134.4	174	-69.9	174	0	0	0	110.1	V72 Y98 K99 L157	V72-L110 HydrophobicContact CG1-CD2 3.98Å; V72-L110 HydrophobicContact CG2-CD1 4.32Å; Y98-L110 WeakPolarHBondContact O-CA 3.25Å; K99-L110 HydrophobicContact CB-CD2 4.04Å; L110-L157 WeakPolarHBondContact O-CD1 3.38Å
111	A	96.5	Very high	94.3	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	151.3	166.2	0	0	0	0	0	110.4	F97 Y98 M100 F109 C113 T122 L157	F97-A111 WeakPolarHBondContact CA-O 3.43Å; Y98-A111 PolarHBondContact N-O 3.26Å; Y98-A111 PolarHBondContact O-N 2.77Å; Y98-A111 VanDerWaalsContact O-N 3.09Å; M100-A111 HydrophobicContact CE-CB 3.7Å; M100-A111 HydrophobicContact SD-CB 3.92Å; F109-A111 HydrophobicContact CD2-CB 4.37Å; F109-A111 HydrophobicContact CE2-CB 4.16Å; A111-C113 PolarHBondContact O-N 2.95Å; A111-T122 HydrophobicContact CB-CG2 3.74Å; A111-L157 HydrophobicContact CB-CD1 3.85Å; A111-L157 HydrophobicContact CB-CD2 4.42Å
112	F	97.6	Very high	94.4	Very high	18 Å²	18	43.3 Å²	43.3	8%	0.079	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	122.7	176.6	-170.4	-85	0	0	0	109.6	G96 F97 D114 V123 R126 A151 Y155	G96-F112 CarbonylContact O-C 3.6Å; G96-F112 WeakPolarHBondContact O-CA 3.01Å; F97-F112 HydrophobicContact CD1-CB 4Å; F97-F112 AromaticContact CD2-CD2 3.85Å; F97-F112 HydrophobicContact CD2-CD2 3.85Å; F97-F112 HydrophobicContact CE1-CB 3.73Å; F97-F112 HydrophobicContact CE2-CB 4.42Å; F97-F112 AromaticContact CE2-CD2 3.71Å; F97-F112 HydrophobicContact CE2-CD2 3.71Å; F97-F112 HydrophobicContact CG-CB 4.45Å; F97-F112 HydrophobicContact CG-CD2 4.31Å; F97-F112 HydrophobicContact CZ-CB 3.95Å; F97-F112 HydrophobicContact CZ-CD2 4.06Å; F97-F112 HydrophobicContact CZ-CG 4.49Å; F112-D114 HydrophobicContact CD1-CB 4.45Å; F112-D114 HydrophobicContact CE1-CB 4.27Å; F112-V123 HydrophobicContact CB-CB 4.21Å; F112-V123 HydrophobicContact CD1-CG2 3.98Å; F112-V123 WeakPolarHBondContact O-CB 3.01Å; F112-V123 PolarHBondContact O-N 2.82Å; F112-R126 VanDerWaalsContact CE1-NH2 3.28Å; F112-A151 HydrophobicContact CE2-CB 4.43Å; F112-Y155 HydrophobicContact CB-CE1 4.34Å; F112-Y155 VanDerWaalsContact CB-OH 3.25Å; F112-Y155 WeakPolarHBondContact CB-OH 3.44Å; F112-Y155 PolarHBondContact N-OH 3.02Å
113	C	97.7	Very high	94.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	116	169.8	-60.6	0	0	0	0	109.9	C84 S95 G96 Y98 A111 M115 W121	C84-C113 VanDerWaalsContact CA-SG 3.52Å; C84-C113 HydrophobicContact CB-CB 3.6Å; C84-C113 WeakPolarHBondContact CB-SG 3.49Å; C84-C113 WeakPolarHBondContact SG-CA 3.25Å; C84-C113 WeakPolarHBondContact SG-CB 3.42Å; C84-C113 CovalentContact SG-SG 2.03Å; C84-C113 PolarHBondContact SG-SG 3.21Å; S95-C113 WeakPolarHBondContact CA-O 3.43Å; S95-C113 WeakPolarHBondContact CB-O 3.3Å; G96-C113 PolarHBondContact N-O 2.82Å; G96-C113 VanDerWaalsContact N-O 3.17Å; G96-C113 PolarHBondContact O-N 3.44Å; Y98-C113 HydrophobicContact CD2-CB 3.56Å; Y98-C113 WeakPolarHBondContact CD2-SG 3.45Å; Y98-C113 HydrophobicContact CE2-CB 3.87Å; A111-C113 PolarHBondContact O-N 2.95Å; C113-M115 HydrophobicContact CB-CE 3.36Å; C113-M115 HydrophobicContact CB-CG 4.36Å; C113-M115 HydrophobicContact CB-SD 3.8Å; C113-M115 PolarHBondContact O-N 2.89Å; C113-W121 CarbonylContact C-O 3.57Å; C113-W121 WeakPolarHBondContact CA-O 3.38Å
114	D	96.9	Very high	94.9	Very high	21 Å²	21	37.8 Å²	37.8	11%	0.112	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	104.6	168	177.4	12.9	0	0	0	108.8	F112 S116 G119 G120 W121 V123 K302	F112-D114 HydrophobicContact CD1-CB 4.45Å; F112-D114 HydrophobicContact CE1-CB 4.27Å; D114-S116 VanDerWaalsContact OD1-CB 3.32Å; D114-S116 WeakPolarHBondContact OD1-CB 3.42Å; D114-S116 PolarHBondContact OD1-N 3.39Å; D114-S116 PolarHBondContact OD1-OG 3.13Å; D114-G119 CarbonylContact O-C 3.58Å; D114-G119 WeakPolarHBondContact O-CA 3.27Å; D114-G120 PolarHBondContact O-N 3.06Å; D114-W121 HydrophobicContact CB-CB 4.11Å; D114-W121 PolarHBondContact N-O 3.06Å; D114-W121 PolarHBondContact O-N 2.83Å; D114-V123 HydrophobicContact CB-CG2 4.12Å; D114-K302 IonicContact OD2-NZ 3.05Å; D114-K302 PolarHBondContact OD2-NZ 3.36Å
115	M	95.9	Very high	95.2	Very high	11 Å²	11	31.1 Å²	31.1	5%	0.054	17%	0.172	C	C	.	.			trans	-94.2	3.3	-179.8	-55.3	-46.9	-160.7	0	0	112.8	C84 I87 Y88 H92 K93 Q94 S95 Y98 C113 G119	C84-M115 HydrophobicContact CB-CE 4.47Å; I87-M115 HydrophobicContact CB-CE 4.09Å; I87-M115 HydrophobicContact CG2-CE 3.58Å; Y88-M115 HydrophobicContact CD2-CB 4.03Å; Y88-M115 HydrophobicContact CD2-CG 4.17Å; Y88-M115 HydrophobicContact CD2-SD 3.57Å; Y88-M115 VanDerWaalsContact CD2-SD 3.57Å; Y88-M115 HydrophobicContact CE2-CB 4.12Å; Y88-M115 HydrophobicContact CG-SD 4.27Å; H92-M115 WeakPolarHBondContact O-CE 3.25Å; K93-M115 WeakPolarHBondContact O-CB 3.35Å; Q94-M115 WeakPolarHBondContact O-CG 3.22Å; S95-M115 PolarHBondContact OG-N 3.41Å; Y98-M115 HydrophobicContact CE2-CE 4.16Å; C113-M115 HydrophobicContact CB-CE 3.36Å; C113-M115 HydrophobicContact CB-CG 4.36Å; C113-M115 HydrophobicContact CB-SD 3.8Å; C113-M115 PolarHBondContact O-N 2.89Å; M115-G119 VanDerWaalsContact C-CA 3.47Å; M115-G119 WeakPolarHBondContact O-CA 3.46Å
116	S	91.3	Very high	95.3	Very high	54 Å²	54	31.8 Å²	31.8	38%	0.378	17%	0.174	S	C	.	.	S	Bend	trans	-79.1	161.3	176.9	75	0	0	0	0	112	D114 G118 G119	D114-S116 VanDerWaalsContact OD1-CB 3.32Å; D114-S116 WeakPolarHBondContact OD1-CB 3.42Å; D114-S116 PolarHBondContact OD1-N 3.39Å; D114-S116 PolarHBondContact OD1-OG 3.13Å; S116-G118 PolarHBondContact O-N 3.05Å; S116-G119 WeakPolarHBondContact O-CA 3.36Å; S116-G119 PolarHBondContact O-N 2.95Å
117	E	83	Confident	95.5	Very high	145 Å²	145	28.8 Å²	28.8	68%	0.678	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	52	172.3	-60.8	-176.7	-178.3	0	0	114.2	G119	E117-G119 VanDerWaalsContact C-N 3.32Å
118	G	87.1	Confident	95.5	Very high	34 Å²	34	24.5 Å²	24.5	35%	0.351	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-14.6	-178.3	0	0	0	0	0	114.5	S116	S116-G118 PolarHBondContact O-N 3.05Å
119	G	94.1	Very high	95.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.133	C	C	.	.			trans	62.3	-170	164	0	0	0	0	0	116.7	D114 M115 S116 E117 W121 R304	D114-G119 CarbonylContact O-C 3.58Å; D114-G119 WeakPolarHBondContact O-CA 3.27Å; M115-G119 VanDerWaalsContact C-CA 3.47Å; M115-G119 WeakPolarHBondContact O-CA 3.46Å; S116-G119 WeakPolarHBondContact O-CA 3.36Å; S116-G119 PolarHBondContact O-N 2.95Å; E117-G119 VanDerWaalsContact C-N 3.32Å; G119-W121 VanDerWaalsContact C-N 3.3Å; G119-W121 PolarHBondContact O-N 3.42Å; G119-R304 WeakPolarHBondContact O-CD 3.32Å; G119-R304 PolarHBondContact O-NH1 2.98Å
120	G	97.1	Very high	95.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.144	C	C	.	.			trans	73.5	17.9	179.5	0	0	0	0	0	114.4	A85 D114 R304	A85-G120 PolarHBondContact N-O 3.46Å; D114-G120 PolarHBondContact O-N 3.06Å; G120-R304 WeakPolarHBondContact O-CD 3.49Å; G120-R304 WeakPolarHBondContact O-CG 3.19Å
121	W	98.3	Very high	95.3	Very high	10 Å²	10	25.3 Å²	25.3	4%	0.038	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.9	-179.5	-69.5	100.4	0	0	0	111.5	C113 D114 G119 T172 R174 K302 R304	C113-W121 CarbonylContact C-O 3.57Å; C113-W121 WeakPolarHBondContact CA-O 3.38Å; D114-W121 HydrophobicContact CB-CB 4.11Å; D114-W121 PolarHBondContact N-O 3.06Å; D114-W121 PolarHBondContact O-N 2.83Å; G119-W121 VanDerWaalsContact C-N 3.3Å; G119-W121 PolarHBondContact O-N 3.42Å; W121-T172 HydrophobicContact CH2-CG2 4.35Å; W121-R174 HydrophobicContact CE3-CB 4.23Å; W121-R174 HydrophobicContact CH2-CB 3.65Å; W121-R174 HydrophobicContact CZ2-CB 4.31Å; W121-R174 HydrophobicContact CZ3-CB 3.6Å; W121-K302 HydrophobicContact CB-CB 4.19Å; W121-K302 HydrophobicContact CB-CD 3.8Å; W121-K302 HydrophobicContact CB-CG 4.07Å; W121-K302 HydrophobicContact CD2-CD 4.17Å; W121-K302 HydrophobicContact CD2-CG 3.99Å; W121-K302 HydrophobicContact CE3-CB 4.25Å; W121-K302 HydrophobicContact CE3-CD 4.37Å; W121-K302 HydrophobicContact CE3-CG 3.67Å; W121-K302 HydrophobicContact CG-CD 3.93Å; W121-K302 HydrophobicContact CG-CG 4.18Å; W121-K302 HydrophobicContact CZ3-CG 4.42Å; W121-R304 HydrophobicContact CD2-CB 3.87Å; W121-R304 HydrophobicContact CE3-CB 3.43Å; W121-R304 VanDerWaalsContact CE3-CB 3.43Å; W121-R304 HydrophobicContact CH2-CB 4.08Å; W121-R304 HydrophobicContact CZ2-CB 4.46Å; W121-R304 HydrophobicContact CZ3-CB 3.56Å
122	T	98.6	Very high	95.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	111.1	170.6	-52.3	0	0	0	0	109.3	C84 M100 A111 L165 K302 V303	C84-T122 WeakPolarHBondContact CB-OG1 3.32Å; C84-T122 PolarHBondContact N-OG1 3.34Å; C84-T122 VanDerWaalsContact SG-CA 3.58Å; C84-T122 PolarHBondContact SG-OG1 3.14Å; M100-T122 HydrophobicContact CE-CG2 4.37Å; M100-T122 HydrophobicContact SD-CG2 3.9Å; A111-T122 HydrophobicContact CB-CG2 3.74Å; T122-L165 HydrophobicContact CG2-CD1 3.97Å; T122-L165 HydrophobicContact CG2-CD2 4.42Å; T122-K302 CarbonylContact O-C 3.6Å; T122-K302 WeakPolarHBondContact O-CA 3.46Å; T122-K302 WeakPolarHBondContact O-CB 3.41Å; T122-V303 PolarHBondContact N-O 3.29Å; T122-V303 PolarHBondContact O-N 3.2Å
123	V	98.6	Very high	95.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	128.2	176.9	179.4	0	0	0	0	109.3	F112 D114 Q125 Y155 V300 K302	F112-V123 HydrophobicContact CB-CB 4.21Å; F112-V123 HydrophobicContact CD1-CG2 3.98Å; F112-V123 WeakPolarHBondContact O-CB 3.01Å; F112-V123 PolarHBondContact O-N 2.82Å; D114-V123 HydrophobicContact CB-CG2 4.12Å; V123-Q125 WeakPolarHBondContact CG1-O 3.4Å; V123-Y155 VanDerWaalsContact C-OH 3.32Å; V123-Y155 VanDerWaalsContact CB-OH 3.28Å; V123-Y155 WeakPolarHBondContact CB-OH 3.46Å; V123-Y155 HydrophobicContact CG1-CE1 4.41Å; V123-Y155 VanDerWaalsContact CG1-OH 3.32Å; V123-Y155 WeakPolarHBondContact CG1-OH 3.32Å; V123-Y155 PolarHBondContact O-OH 3.31Å; V123-V300 HydrophobicContact CB-CG1 4.46Å; V123-V300 HydrophobicContact CG1-CG1 3.7Å; V123-V300 HydrophobicContact CG2-CG1 3.92Å; V123-K302 HydrophobicContact CB-CB 4.4Å; V123-K302 HydrophobicContact CG2-CB 3.97Å; V123-K302 HydrophobicContact CG2-CD 4.41Å
124	F	98.7	Very high	95.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-15.9	178.5	70.7	-92.8	0	0	0	114	W156 L157 L162 L173 F192 M301 V303	F124-W156 HydrophobicContact CD2-CH2 4.31Å; F124-W156 HydrophobicContact CD2-CZ3 4.25Å; F124-W156 HydrophobicContact CE2-CH2 4.1Å; F124-W156 HydrophobicContact CE2-CZ3 4.14Å; F124-L157 HydrophobicContact CB-CB 3.8Å; F124-L157 HydrophobicContact CB-CD2 3.73Å; F124-L157 HydrophobicContact CB-CG 4.43Å; F124-L157 WeakPolarHBondContact O-CB 3.43Å; F124-L157 PolarHBondContact O-N 3.09Å; F124-L162 HydrophobicContact CB-CD1 3.99Å; F124-L162 HydrophobicContact CD1-CD1 3.95Å; F124-L162 HydrophobicContact CD2-CD1 4.1Å; F124-L162 HydrophobicContact CD2-CD2 3.67Å; F124-L162 HydrophobicContact CE1-CD1 4.42Å; F124-L162 HydrophobicContact CE2-CD2 3.78Å; F124-L162 HydrophobicContact CG-CD1 3.75Å; F124-L162 HydrophobicContact CG-CD2 4.21Å; F124-L162 HydrophobicContact CZ-CD2 4.39Å; F124-L173 HydrophobicContact CE1-CD1 3.55Å; F124-L173 HydrophobicContact CZ-CD1 3.72Å; F124-F192 HydrophobicContact CE1-CE1 4.5Å; F124-F192 HydrophobicContact CZ-CE1 4.34Å; F124-F192 HydrophobicContact CZ-CZ 4.32Å; F124-M301 HydrophobicContact CD1-CB 4.17Å; F124-M301 WeakPolarHBondContact CD1-O 3.16Å; F124-M301 HydrophobicContact CD2-CB 4.33Å; F124-M301 HydrophobicContact CE1-CB 3.52Å; F124-M301 HydrophobicContact CE2-CB 3.72Å; F124-M301 HydrophobicContact CE2-CE 3.98Å; F124-M301 HydrophobicContact CE2-CG 4.42Å; F124-M301 HydrophobicContact CE2-SD 3.83Å; F124-M301 HydrophobicContact CZ-CB 3.3Å; F124-M301 HydrophobicContact CZ-CE 3.62Å; F124-M301 HydrophobicContact CZ-CG 4.21Å; F124-M301 HydrophobicContact CZ-SD 3.94Å; F124-M301 PolarHBondContact N-O 3.3Å; F124-V303 HydrophobicContact CD1-CG1 4.02Å; F124-V303 HydrophobicContact CE1-CG1 3.78Å
125	Q	98.7	Very high	95.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	139.3	171.5	-171.6	-97.5	57.5	0	0	109.7	V123 F134 Y155 W156 L267 N268 M301	V123-Q125 WeakPolarHBondContact CG1-O 3.4Å; Q125-F134 HydrophobicContact CG-CE1 4.19Å; Q125-Y155 WeakPolarHBondContact CA-O 3.43Å; Q125-W156 HydrophobicContact CB-CE3 3.71Å; Q125-W156 HydrophobicContact CB-CZ3 3.78Å; Q125-W156 HydrophobicContact CG-CE3 3.54Å; Q125-W156 HydrophobicContact CG-CZ3 3.76Å; Q125-L267 PolarHBondContact NE2-O 2.81Å; Q125-N268 PolarHBondContact NE2-OD1 3.32Å; Q125-M301 HydrophobicContact CB-CB 3.97Å; Q125-M301 HydrophobicContact CB-CG 4.01Å; Q125-M301 HydrophobicContact CB-SD 4.02Å; Q125-M301 HydrophobicContact CG-SD 4.35Å; Q125-M301 PolarHBondContact N-O 3.07Å; Q125-M301 PolarHBondContact O-N 2.81Å
126	R	98.1	Very high	95.5	Very high	21 Å²	21	34.2 Å²	34.2	8%	0.079	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	134.2	169.6	-177.4	177	-62.8	148.6	-14.4	111.7	F112 A151 G153 E154 Y155 V299 V300	F112-R126 VanDerWaalsContact CE1-NH2 3.28Å; R126-A151 PolarHBondContact NH1-O 2.95Å; R126-G153 WeakPolarHBondContact CD-O 3.27Å; R126-E154 WeakPolarHBondContact O-CA 3.3Å; R126-E154 VanDerWaalsContact O-CB 3.29Å; R126-E154 WeakPolarHBondContact O-CB 3.42Å; R126-Y155 HydrophobicContact CB-CD1 4.37Å; R126-Y155 HydrophobicContact CB-CE1 4.32Å; R126-Y155 PolarHBondContact N-O 2.96Å; R126-Y155 VanDerWaalsContact N-O 3.08Å; R126-Y155 PolarHBondContact O-N 2.88Å; R126-V299 CarbonylContact C-O 3.52Å; R126-V299 WeakPolarHBondContact CA-O 2.98Å; R126-V300 HydrophobicContact CG-CG2 4.28Å
127	R	97.9	Very high	95.9	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.019	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.6	167.4	-46.9	-59.4	-63.6	-79.3	8.3	109.7	E154 L267 N268 G269 I284 S298 V299	R127-E154 WeakPolarHBondContact CA-OE1 3.26Å; R127-E154 IonicContact NE-OE1 3.97Å; R127-E154 IonicContact NE-OE2 2.74Å; R127-E154 PolarHBondContact NE-OE2 3.43Å; R127-L267 PolarHBondContact NH1-O 3.3Å; R127-L267 VanDerWaalsContact NH1-O 3.14Å; R127-N268 VanDerWaalsContact NH1-C 3.25Å; R127-N268 PolarHBondContact NH1-O 3.33Å; R127-G269 PolarHBondContact NH1-O 3.21Å; R127-G269 PolarHBondContact NH2-O 2.87Å; R127-G269 VanDerWaalsContact NH2-O 3.08Å; R127-I284 HydrophobicContact CB-CD1 3.98Å; R127-I284 HydrophobicContact CG-CD1 4.14Å; R127-S298 CarbonylContact O-C 3.54Å; R127-S298 WeakPolarHBondContact O-CA 3.41Å; R127-S298 WeakPolarHBondContact O-CB 3.21Å; R127-V299 HydrophobicContact CB-CB 4.23Å; R127-V299 HydrophobicContact CG-CB 4.3Å; R127-V299 PolarHBondContact N-O 3.06Å; R127-V299 PolarHBondContact O-N 3Å
128	S	94.8	Very high	96.6	Very high	25 Å²	25	27.2 Å²	27.2	18%	0.175	16%	0.159	C	C	.	.	S	Bend	trans	-158.1	-26.2	-179.8	46.3	0	0	0	0	115	N152 E154 Y271	S128-N152 PolarHBondContact OG-O 3.44Å; S128-E154 PolarHBondContact N-OE1 2.9Å; S128-Y271 PolarHBondContact O-OH 3.4Å
129	D	92.7	Very high	97.2	Very high	86 Å²	86	28.2 Å²	28.2	46%	0.46	16%	0.164	S	C	.	.	S	Bend	trans	-142.6	-7.2	-170	65.6	3.9	0	0	0	114.8	S131 E154	D129-S131 VanDerWaalsContact C-N 3.26Å; D129-S131 PolarHBondContact O-N 2.94Å; D129-S131 WeakPolarHBondContact OD1-CB 3.29Å; D129-S131 PolarHBondContact OD1-N 2.84Å; D129-S131 PolarHBondContact OD1-OG 2.76Å; D129-S131 PolarHBondContact OD2-OG 3.43Å; D129-E154 PolarHBondContact N-OE1 2.94Å; D129-E154 WeakPolarHBondContact OD1-CG 3.02Å
130	G	94.7	Very high	97.4	Very high	31 Å²	31	31 Å²	31	32%	0.32	18%	0.179	S	C	.	.	S	Bend	trans	71.8	17.3	-177.1	0	0	0	0	0	113.8	Q132 E154 Y271	G130-Q132 PolarHBondContact O-N 2.8Å; G130-E154 PolarHBondContact N-OE1 2.97Å; G130-Y271 VanDerWaalsContact CA-CG 3.45Å
131	S	94.1	Very high	97.5	Very high	71 Å²	71	31 Å²	31	50%	0.497	18%	0.179	S	C	.	.			trans	-68.2	-20.7	179.7	59.6	0	0	0	0	113.5	D129	D129-S131 VanDerWaalsContact C-N 3.26Å; D129-S131 PolarHBondContact O-N 2.94Å; D129-S131 WeakPolarHBondContact OD1-CB 3.29Å; D129-S131 PolarHBondContact OD1-N 2.84Å; D129-S131 PolarHBondContact OD1-OG 2.76Å; D129-S131 PolarHBondContact OD2-OG 3.43Å
132	Q	96.6	Very high	97.5	Very high	49 Å²	49	31.8 Å²	31.8	23%	0.229	18%	0.183	C	C	.	.	S	Bend	trans	-111.4	139.8	179.7	-64.9	-64.1	-5	0	0	112.9	G130 F134 E154	G130-Q132 PolarHBondContact O-N 2.8Å; Q132-F134 HydrophobicContact CB-CD2 4.23Å; Q132-F134 HydrophobicContact CB-CE2 3.87Å; Q132-E154 HydrophobicContact CB-CB 3.91Å; Q132-E154 HydrophobicContact CG-CB 3.68Å; Q132-E154 WeakPolarHBondContact CG-O 3.45Å; Q132-E154 PolarHBondContact N-OE2 3.43Å
133	N	96.6	Very high	97.5	Very high	81 Å²	81	37.1 Å²	37.1	43%	0.433	21%	0.208	S	C	.	.			trans	-81.9	121.1	170.4	-175.9	14	0	0	0	110.3	D135 R136	N133-D135 PolarHBondContact ND2-O 2.81Å; N133-D135 WeakPolarHBondContact OD1-CB 3.14Å; N133-D135 PolarHBondContact OD1-N 2.82Å; N133-R136 WeakPolarHBondContact O-CG 3.41Å; N133-R136 PolarHBondContact O-NE 2.89Å
134	F	98.4	Very high	97.5	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.013	22%	0.218	C	C	.	.			trans	-99.8	-3.3	175	-81.5	-110.3	0	0	0	113.1	Q125 Q132 R136 Y141 F145 E154 W156 N268	Q125-F134 HydrophobicContact CG-CE1 4.19Å; Q132-F134 HydrophobicContact CB-CD2 4.23Å; Q132-F134 HydrophobicContact CB-CE2 3.87Å; F134-R136 VanDerWaalsContact C-N 3.31Å; F134-R136 PolarHBondContact O-N 3.1Å; F134-Y141 WeakPolarHBondContact O-CE2 3.35Å; F134-Y141 PolarHBondContact O-OH 3.22Å; F134-F145 HydrophobicContact CB-CZ 4.47Å; F134-F145 AromaticContact CD1-CE2 3.83Å; F134-F145 HydrophobicContact CD1-CE2 3.83Å; F134-F145 AromaticContact CD1-CZ 3.67Å; F134-F145 HydrophobicContact CD1-CZ 3.67Å; F134-F145 AromaticContact CD2-CE2 4Å; F134-F145 HydrophobicContact CD2-CE2 4Å; F134-F145 AromaticContact CE1-CE2 3.91Å; F134-F145 HydrophobicContact CE1-CE2 3.91Å; F134-F145 AromaticContact CE1-CZ 3.97Å; F134-F145 HydrophobicContact CE1-CZ 3.97Å; F134-F145 HydrophobicContact CE2-CE2 4.07Å; F134-F145 AromaticContact CG-CE2 3.87Å; F134-F145 HydrophobicContact CG-CE2 3.87Å; F134-F145 HydrophobicContact CG-CZ 4Å; F134-F145 HydrophobicContact CZ-CE2 4.02Å; F134-E154 HydrophobicContact CE2-CB 4.32Å; F134-W156 HydrophobicContact CE1-CB 4.18Å; F134-N268 WeakPolarHBondContact CB-O 3.38Å; F134-N268 HydrophobicContact CD1-CB 3.92Å
135	D	98.2	Very high	97.5	Very high	31 Å²	31	38.9 Å²	38.9	17%	0.166	22%	0.222	C	C	.	.			trans	-76.7	84	166.6	-173.4	15.7	0	0	0	109.4	N133 R238 K254	N133-D135 PolarHBondContact ND2-O 2.81Å; N133-D135 WeakPolarHBondContact OD1-CB 3.14Å; N133-D135 PolarHBondContact OD1-N 2.82Å; D135-R238 WeakPolarHBondContact OD1-CD 3.32Å; D135-R238 IonicContact OD1-NE 3.26Å; D135-K254 WeakPolarHBondContact CA-O 3.27Å; D135-K254 HydrophobicContact CB-CB 4.16Å; D135-K254 WeakPolarHBondContact CB-O 3.29Å; D135-K254 WeakPolarHBondContact OD2-CD 3.09Å
136	R	98.5	Very high	97.3	Very high	73 Å²	73	40.3 Å²	40.3	28%	0.275	24%	0.236	S	C	.	.			trans	-127.7	159.4	-170.4	-60.4	-66.9	-172	154.4	2.2	111.5	N133 F134 D140 Y141 F145	N133-R136 WeakPolarHBondContact O-CG 3.41Å; N133-R136 PolarHBondContact O-NE 2.89Å; F134-R136 VanDerWaalsContact C-N 3.31Å; F134-R136 PolarHBondContact O-N 3.1Å; R136-D140 HydrophobicContact CB-CB 3.82Å; R136-D140 WeakPolarHBondContact CD-OD2 3.39Å; R136-D140 HydrophobicContact CG-CB 4.4Å; R136-Y141 HydrophobicContact CB-CD2 3.82Å; R136-Y141 HydrophobicContact CB-CE2 3.65Å; R136-Y141 HydrophobicContact CG-CE2 4.48Å; R136-F145 HydrophobicContact CB-CE1 4.16Å; R136-F145 HydrophobicContact CG-CD1 4.19Å; R136-F145 HydrophobicContact CG-CD2 4.47Å; R136-F145 HydrophobicContact CG-CE1 3.91Å; R136-F145 HydrophobicContact CG-CE2 4.22Å; R136-F145 HydrophobicContact CG-CG 4.47Å; R136-F145 HydrophobicContact CG-CZ 3.93Å
137	V	98.7	Very high	97.1	Very high	37 Å²	37	41.3 Å²	41.3	22%	0.224	24%	0.243	C	C	.	.			trans	-82.2	169	179.1	-65.2	0	0	0	0	111.5	A139 D140 Y141 D239	V137-A139 VanDerWaalsContact C-N 3.34Å; V137-A139 PolarHBondContact O-N 3.35Å; V137-D140 HydrophobicContact CG2-CB 4.36Å; V137-D140 PolarHBondContact O-N 3.16Å; V137-Y141 PolarHBondContact O-N 2.59Å; V137-D239 WeakPolarHBondContact CA-OD1 3.25Å; V137-D239 WeakPolarHBondContact CB-OD1 3.44Å; V137-D239 WeakPolarHBondContact CB-OD2 3.33Å; V137-D239 HydrophobicContact CG1-CB 4.32Å
138	W	98.8	Very high	96.9	Very high	14 Å²	14	43.3 Å²	43.3	5%	0.053	25%	0.252	C	S	.	.	H	α-helix	trans	-52.2	-50.1	-177.4	-179.1	-92.4	0	0	0	112.7	D140 Y141 E142 E197 L200 Y201 F235 T237 D239 R240	W138-D140 VanDerWaalsContact C-N 3.27Å; W138-D140 PolarHBondContact O-N 2.87Å; W138-Y141 PolarHBondContact O-N 3.13Å; W138-Y141 VanDerWaalsContact O-N 3.11Å; W138-E142 PolarHBondContact NE1-OE1 2.89Å; W138-E142 WeakPolarHBondContact O-CB 3.21Å; W138-E142 PolarHBondContact O-N 3.31Å; W138-E197 HydrophobicContact CZ2-CG 4.34Å; W138-L200 HydrophobicContact CH2-CB 4.41Å; W138-L200 HydrophobicContact CH2-CD2 4.49Å; W138-Y201 AromaticContact CE2-CE2 3.96Å; W138-Y201 AromaticContact CH2-CD2 3.66Å; W138-Y201 HydrophobicContact CH2-CD2 3.66Å; W138-Y201 HydrophobicContact CH2-CE2 4.21Å; W138-Y201 AromaticContact CZ2-CD2 3.39Å; W138-Y201 HydrophobicContact CZ2-CD2 3.39Å; W138-Y201 AromaticContact CZ2-CE2 3.45Å; W138-Y201 HydrophobicContact CZ2-CE2 3.45Å; W138-Y201 VanDerWaalsContact CZ2-CE2 3.45Å; W138-F235 HydrophobicContact CE3-CD1 4.5Å; W138-F235 HydrophobicContact CH2-CB 4.32Å; W138-F235 HydrophobicContact CZ3-CB 4.11Å; W138-F235 HydrophobicContact CZ3-CD1 4.17Å; W138-F235 WeakPolarHBondContact CZ3-O 3.39Å; W138-T237 WeakPolarHBondContact CA-OG1 3.21Å; W138-T237 HydrophobicContact CE3-CG2 4.26Å; W138-T237 PolarHBondContact N-OG1 3.18Å; W138-D239 PolarHBondContact N-OD1 2.91Å; W138-D239 PolarHBondContact N-OD2 2.87Å; W138-R240 HydrophobicContact CB-CB 4.17Å; W138-R240 HydrophobicContact CD2-CB 4.32Å; W138-R240 VanDerWaalsContact CD2-CD 3.46Å; W138-R240 HydrophobicContact CD2-CG 4.38Å; W138-R240 HydrophobicContact CE3-CB 3.93Å; W138-R240 HydrophobicContact CE3-CG 4.08Å; W138-R240 HydrophobicContact CG-CB 4.43Å; W138-R240 HydrophobicContact CZ3-CG 4.41Å
139	A	98.8	Very high	96.5	Very high	55 Å²	55	44.7 Å²	44.7	46%	0.455	26%	0.259	S	S	.	.	H	α-helix	trans	-59.7	-36.7	-176.7	0	0	0	0	0	112.7	V137 E142 E143	V137-A139 VanDerWaalsContact C-N 3.34Å; V137-A139 PolarHBondContact O-N 3.35Å; A139-E142 PolarHBondContact O-N 3.42Å; A139-E143 PolarHBondContact O-N 2.83Å; A139-E143 VanDerWaalsContact O-N 3.09Å
140	D	98.7	Very high	96.1	Very high	59 Å²	59	44.6 Å²	44.6	32%	0.316	26%	0.259	S	S	.	.	H	α-helix	trans	-68	-44.4	176.6	-69.9	-20.7	0	0	0	110.7	R136 V137 W138 E142 G144 F145	R136-D140 HydrophobicContact CB-CB 3.82Å; R136-D140 WeakPolarHBondContact CD-OD2 3.39Å; R136-D140 HydrophobicContact CG-CB 4.4Å; V137-D140 HydrophobicContact CG2-CB 4.36Å; V137-D140 PolarHBondContact O-N 3.16Å; W138-D140 VanDerWaalsContact C-N 3.27Å; W138-D140 PolarHBondContact O-N 2.87Å; D140-E142 VanDerWaalsContact C-N 3.29Å; D140-E142 PolarHBondContact O-N 2.87Å; D140-G144 CarbonylContact O-C 3.53Å; D140-G144 VanDerWaalsContact O-CA 3.31Å; D140-G144 WeakPolarHBondContact O-CA 3.09Å; D140-G144 PolarHBondContact O-N 2.65Å; D140-F145 HydrophobicContact CB-CD1 4.17Å; D140-F145 WeakPolarHBondContact O-CD1 3.48Å
141	Y	98.8	Very high	95.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.8	-30	177.3	-92	-75.8	0	0	0	113	F134 R136 V137 W138 F145 W156 G158 N159 F235 T237 G256	F134-Y141 WeakPolarHBondContact O-CE2 3.35Å; F134-Y141 PolarHBondContact O-OH 3.22Å; R136-Y141 HydrophobicContact CB-CD2 3.82Å; R136-Y141 HydrophobicContact CB-CE2 3.65Å; R136-Y141 HydrophobicContact CG-CE2 4.48Å; V137-Y141 PolarHBondContact O-N 2.59Å; W138-Y141 PolarHBondContact O-N 3.13Å; W138-Y141 VanDerWaalsContact O-N 3.11Å; Y141-F145 AromaticContact CD1-CE1 3.79Å; Y141-F145 HydrophobicContact CD1-CE1 3.79Å; Y141-F145 HydrophobicContact CD1-CZ 4.34Å; Y141-F145 HydrophobicContact CD2-CE1 4.14Å; Y141-F145 AromaticContact CE1-CE1 3.73Å; Y141-F145 HydrophobicContact CE1-CE1 3.73Å; Y141-F145 AromaticContact CE1-CZ 3.81Å; Y141-F145 HydrophobicContact CE1-CZ 3.81Å; Y141-F145 HydrophobicContact CE2-CE1 4.1Å; Y141-F145 HydrophobicContact CE2-CZ 4.3Å; Y141-F145 AromaticContact CG-CE1 3.99Å; Y141-F145 HydrophobicContact CG-CE1 3.99Å; Y141-F145 AromaticContact CZ-CE1 3.89Å; Y141-F145 AromaticContact CZ-CZ 3.78Å; Y141-W156 AromaticContact CD1-CD1 3.68Å; Y141-W156 HydrophobicContact CD1-CD2 4.12Å; Y141-W156 AromaticContact CD1-CE2 3.91Å; Y141-W156 HydrophobicContact CD1-CG 4.02Å; Y141-W156 AromaticContact CD1-NE1 3.62Å; Y141-W156 HydrophobicContact CE1-CD2 4.14Å; Y141-W156 HydrophobicContact CE1-CG 4.17Å; Y141-W156 PolarHBondContact O-NE1 3.08Å; Y141-W156 VanDerWaalsContact O-NE1 3.15Å; Y141-G158 CarbonylContact O-C 3.46Å; Y141-G158 WeakPolarHBondContact O-CA 3.48Å; Y141-N159 VanDerWaalsContact O-CG 3.28Å; Y141-N159 PolarHBondContact O-N 2.71Å; Y141-N159 PolarHBondContact O-OD1 2.79Å; Y141-F235 AromaticContact CD1-CE1 3.63Å; Y141-F235 HydrophobicContact CD1-CE1 3.63Å; Y141-F235 AromaticContact CD1-CZ 3.42Å; Y141-F235 HydrophobicContact CD1-CZ 3.42Å; Y141-F235 VanDerWaalsContact CD1-CZ 3.42Å; Y141-F235 HydrophobicContact CD2-CE1 4.21Å; Y141-F235 HydrophobicContact CE1-CE1 4.3Å; Y141-F235 AromaticContact CE1-CZ 3.82Å; Y141-F235 HydrophobicContact CE1-CZ 3.82Å; Y141-F235 AromaticContact CG-CE1 3.58Å; Y141-F235 HydrophobicContact CG-CE1 3.58Å; Y141-F235 AromaticContact CG-CZ 3.9Å; Y141-F235 HydrophobicContact CG-CZ 3.9Å; Y141-T237 HydrophobicContact CD2-CG2 3.58Å; Y141-T237 HydrophobicContact CE2-CG2 4.31Å; Y141-T237 HydrophobicContact CG-CG2 4.12Å; Y141-G256 VanDerWaalsContact CE2-CA 3.43Å; Y141-G256 VanDerWaalsContact CE2-N 3.31Å; Y141-G256 VanDerWaalsContact CZ-CA 3.44Å; Y141-G256 VanDerWaalsContact CZ-N 3.26Å; Y141-G256 PolarHBondContact OH-N 3.47Å
142	E	98.6	Very high	95	Very high	27 Å²	27	43 Å²	43	13%	0.126	24%	0.238	C	C	.	.	H	α-helix	trans	-68.6	-52.5	176.6	175.8	162.5	-90.4	0	0	112.2	W138 A139 D140 G158 N159 K160 E197 Y201	W138-E142 PolarHBondContact NE1-OE1 2.89Å; W138-E142 WeakPolarHBondContact O-CB 3.21Å; W138-E142 PolarHBondContact O-N 3.31Å; A139-E142 PolarHBondContact O-N 3.42Å; D140-E142 VanDerWaalsContact C-N 3.29Å; D140-E142 PolarHBondContact O-N 2.87Å; E142-G158 CarbonylContact O-C 3.45Å; E142-G158 WeakPolarHBondContact O-CA 3.48Å; E142-N159 PolarHBondContact O-N 2.92Å; E142-N159 VanDerWaalsContact O-N 3.12Å; E142-K160 HydrophobicContact CG-CB 4.35Å; E142-K160 WeakPolarHBondContact O-CB 3.39Å; E142-K160 PolarHBondContact O-N 2.81Å; E142-E197 VanDerWaalsContact OE1-CD 3.27Å; E142-E197 WeakPolarHBondContact OE1-CG 3.37Å; E142-Y201 HydrophobicContact CB-CE2 4.44Å; E142-Y201 VanDerWaalsContact CD-OH 3.27Å; E142-Y201 HydrophobicContact CG-CE2 4.24Å; E142-Y201 VanDerWaalsContact CG-OH 3.29Å; E142-Y201 WeakPolarHBondContact CG-OH 3.37Å; E142-Y201 VanDerWaalsContact OE1-CE2 3.28Å; E142-Y201 WeakPolarHBondContact OE1-CE2 3.39Å; E142-Y201 PolarHBondContact OE1-OH 2.93Å
143	E	98.2	Very high	94.7	Very high	111 Å²	111	40.9 Å²	40.9	52%	0.519	23%	0.229	S	C	.	.	H	α-helix	trans	-83.5	-26	-176.5	-68.5	-67.5	134.7	0	0	112.9	A139 K160	A139-E143 PolarHBondContact O-N 2.83Å; A139-E143 VanDerWaalsContact O-N 3.09Å; E143-K160 IonicContact OE1-NZ 3.56Å; E143-K160 PolarHBondContact OE1-NZ 3.48Å
144	G	98.4	Very high	94.7	Very high	22 Å²	22	37 Å²	37	23%	0.227	21%	0.209	C	C	.	.			trans	99.3	156.6	-178.5	0	0	0	0	0	113.3	D140 W156 G158	D140-G144 CarbonylContact O-C 3.53Å; D140-G144 VanDerWaalsContact O-CA 3.31Å; D140-G144 WeakPolarHBondContact O-CA 3.09Å; D140-G144 PolarHBondContact O-N 2.65Å; G144-W156 CarbonylContact C-O 3.54Å; G144-W156 WeakPolarHBondContact CA-O 3.22Å; G144-G158 VanDerWaalsContact CA-CA 3.48Å
145	F	98.4	Very high	94.7	Very high	16 Å²	16	36.9 Å²	36.9	7%	0.07	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	165.4	-177.3	60.4	-95.7	0	0	0	111.9	F134 R136 D140 Y141 Y155 W156	F134-F145 HydrophobicContact CB-CZ 4.47Å; F134-F145 AromaticContact CD1-CE2 3.83Å; F134-F145 HydrophobicContact CD1-CE2 3.83Å; F134-F145 AromaticContact CD1-CZ 3.67Å; F134-F145 HydrophobicContact CD1-CZ 3.67Å; F134-F145 AromaticContact CD2-CE2 4Å; F134-F145 HydrophobicContact CD2-CE2 4Å; F134-F145 AromaticContact CE1-CE2 3.91Å; F134-F145 HydrophobicContact CE1-CE2 3.91Å; F134-F145 AromaticContact CE1-CZ 3.97Å; F134-F145 HydrophobicContact CE1-CZ 3.97Å; F134-F145 HydrophobicContact CE2-CE2 4.07Å; F134-F145 AromaticContact CG-CE2 3.87Å; F134-F145 HydrophobicContact CG-CE2 3.87Å; F134-F145 HydrophobicContact CG-CZ 4Å; F134-F145 HydrophobicContact CZ-CE2 4.02Å; R136-F145 HydrophobicContact CB-CE1 4.16Å; R136-F145 HydrophobicContact CG-CD1 4.19Å; R136-F145 HydrophobicContact CG-CD2 4.47Å; R136-F145 HydrophobicContact CG-CE1 3.91Å; R136-F145 HydrophobicContact CG-CE2 4.22Å; R136-F145 HydrophobicContact CG-CG 4.47Å; R136-F145 HydrophobicContact CG-CZ 3.93Å; D140-F145 HydrophobicContact CB-CD1 4.17Å; D140-F145 WeakPolarHBondContact O-CD1 3.48Å; Y141-F145 AromaticContact CD1-CE1 3.79Å; Y141-F145 HydrophobicContact CD1-CE1 3.79Å; Y141-F145 HydrophobicContact CD1-CZ 4.34Å; Y141-F145 HydrophobicContact CD2-CE1 4.14Å; Y141-F145 AromaticContact CE1-CE1 3.73Å; Y141-F145 HydrophobicContact CE1-CE1 3.73Å; Y141-F145 AromaticContact CE1-CZ 3.81Å; Y141-F145 HydrophobicContact CE1-CZ 3.81Å; Y141-F145 HydrophobicContact CE2-CE1 4.1Å; Y141-F145 HydrophobicContact CE2-CZ 4.3Å; Y141-F145 AromaticContact CG-CE1 3.99Å; Y141-F145 HydrophobicContact CG-CE1 3.99Å; Y141-F145 AromaticContact CZ-CE1 3.89Å; Y141-F145 AromaticContact CZ-CZ 3.78Å; F145-Y155 CarbonylContact O-C 3.33Å; F145-Y155 VanDerWaalsContact O-CA 3.27Å; F145-Y155 WeakPolarHBondContact O-CA 3.39Å; F145-Y155 VanDerWaalsContact O-CB 3.31Å; F145-Y155 WeakPolarHBondContact O-CB 3.32Å; F145-W156 HydrophobicContact CD1-CB 4.1Å; F145-W156 HydrophobicContact CD2-CB 4.42Å; F145-W156 HydrophobicContact CE1-CB 3.71Å; F145-W156 HydrophobicContact CE1-CG 4.14Å; F145-W156 HydrophobicContact CE2-CB 4.04Å; F145-W156 HydrophobicContact CG-CB 4.45Å; F145-W156 HydrophobicContact CZ-CB 3.67Å; F145-W156 HydrophobicContact CZ-CG 4.38Å; F145-W156 PolarHBondContact N-O 2.74Å; F145-W156 PolarHBondContact O-N 3.26Å
146	G	96.4	Very high	94.8	Very high	30 Å²	30	35.4 Å²	35.4	31%	0.309	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	108.9	-154.2	176.1	0	0	0	0	0	112.8	E154	G146-E154 WeakPolarHBondContact CA-O 3.23Å
147	N	93.4	Very high	94.8	Very high	42 Å²	42	32 Å²	32	23%	0.225	19%	0.188	C	C	.	.			trans	-108.8	107.4	-172	-169.5	-42.8	0	0	0	112.1	V149 L150 E154	N147-V149 PolarHBondContact OD1-N 3.37Å; N147-L150 VanDerWaalsContact ND2-CD1 3.26Å; N147-L150 WeakPolarHBondContact ND2-CD1 3.46Å; N147-L150 WeakPolarHBondContact ND2-CG 3.33Å; N147-L150 PolarHBondContact OD1-N 2.95Å; N147-E154 PolarHBondContact N-O 2.95Å
148	F	92.8	Very high	94.8	Very high	47 Å²	47	30.3 Å²	30.3	21%	0.206	18%	0.177	C	C	.	.	S	Bend	trans	-96.6	19.3	179.7	-63.1	-90.4	0	0	0	113.8	F97 Y155 L157	F97-F148 HydrophobicContact CD1-CB 4.3Å; F97-F148 HydrophobicContact CD1-CD1 4.47Å; F97-F148 WeakPolarHBondContact CD1-O 3.41Å; F97-F148 VanDerWaalsContact CD2-O 3.3Å; F97-F148 WeakPolarHBondContact CD2-O 3.49Å; F97-F148 HydrophobicContact CE1-CB 4.02Å; F97-F148 AromaticContact CE1-CD1 3.93Å; F97-F148 HydrophobicContact CE1-CD1 3.93Å; F97-F148 HydrophobicContact CE1-CG 4.41Å; F97-F148 VanDerWaalsContact CE2-C 3.47Å; F97-F148 VanDerWaalsContact CG-O 3.23Å; F97-F148 WeakPolarHBondContact CG-O 3.32Å; F97-F148 HydrophobicContact CZ-CB 4.47Å; F148-Y155 HydrophobicContact CD1-CD2 4.03Å; F148-Y155 HydrophobicContact CD1-CE2 4.35Å; F148-Y155 HydrophobicContact CD1-CG 4.33Å; F148-Y155 AromaticContact CE1-CD2 3.38Å; F148-Y155 HydrophobicContact CE1-CD2 3.38Å; F148-Y155 AromaticContact CE1-CE2 3.85Å; F148-Y155 HydrophobicContact CE1-CE2 3.85Å; F148-Y155 AromaticContact CE1-CG 4Å; F148-Y155 HydrophobicContact CE1-CG 4Å; F148-Y155 AromaticContact CZ-CD2 3.82Å; F148-Y155 HydrophobicContact CZ-CD2 3.82Å; F148-Y155 HydrophobicContact CZ-CG 4.27Å; F148-L157 HydrophobicContact CE1-CD1 4.09Å
149	V	85.9	Confident	94.8	Very high	54 Å²	54	29.6 Å²	29.6	33%	0.327	17%	0.174	S	C	.	.	S	Bend	trans	-125.7	-38.4	-173.1	-177.6	0	0	0	0	111.8	N70 N71 N147	N70-V149 HydrophobicContact CB-CG1 4.28Å; N70-V149 WeakPolarHBondContact OD1-CG1 3.2Å; N71-V149 WeakPolarHBondContact CB-O 3.28Å; N71-V149 PolarHBondContact N-O 3.09Å; N71-V149 PolarHBondContact ND2-O 3.36Å; N147-V149 PolarHBondContact OD1-N 3.37Å
150	L	85.8	Confident	94.7	Very high	84 Å²	84	30.1 Å²	30.1	44%	0.44	17%	0.166	S	C	.	.	S	Bend	trans	-83.9	132.1	178.2	-61.9	-178.3	0	0	0	110.6	F97 N147 N152 G153	F97-L150 WeakPolarHBondContact CE2-O 3.37Å; N147-L150 VanDerWaalsContact ND2-CD1 3.26Å; N147-L150 WeakPolarHBondContact ND2-CD1 3.46Å; N147-L150 WeakPolarHBondContact ND2-CG 3.33Å; N147-L150 PolarHBondContact OD1-N 2.95Å; L150-N152 PolarHBondContact O-N 3.45Å; L150-N152 VanDerWaalsContact O-N 3.08Å; L150-G153 PolarHBondContact O-N 2.84Å
151	A	80.1	Confident	94.7	Very high	8 Å²	8	28.7 Å²	28.7	7%	0.066	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-32.8	178.9	0	0	0	0	0	113.6	Y63 N71 F112 R126	Y63-A151 HydrophobicContact CE1-CB 4.25Å; Y63-A151 VanDerWaalsContact OH-CB 3.27Å; Y63-A151 WeakPolarHBondContact OH-CB 3.25Å; N71-A151 WeakPolarHBondContact ND2-CB 3.45Å; N71-A151 PolarHBondContact ND2-N 2.92Å; F112-A151 HydrophobicContact CE2-CB 4.43Å; R126-A151 PolarHBondContact NH1-O 2.95Å
152	N	84.4	Confident	94.7	Very high	60 Å²	60	28.7 Å²	28.7	32%	0.321	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	13.6	178.4	-62.7	-22.1	0	0	0	113	Y63 N64 S128 L150 E154	Y63-N152 VanDerWaalsContact CD1-ND2 3.25Å; Y63-N152 WeakPolarHBondContact CD1-ND2 3.4Å; Y63-N152 WeakPolarHBondContact CE1-ND2 3.34Å; N64-N152 PolarHBondContact OD1-ND2 3.08Å; S128-N152 PolarHBondContact OG-O 3.44Å; L150-N152 PolarHBondContact O-N 3.45Å; L150-N152 VanDerWaalsContact O-N 3.08Å; N152-E154 PolarHBondContact O-N 2.91Å
153	G	90.8	Very high	94.7	Very high	4 Å²	4	28.8 Å²	28.8	4%	0.041	16%	0.159	C	C	.	.			trans	-62	134.4	178.8	0	0	0	0	0	111.5	R126 L150 Y155	R126-G153 WeakPolarHBondContact CD-O 3.27Å; L150-G153 PolarHBondContact O-N 2.84Å; G153-Y155 WeakPolarHBondContact O-CD1 3.42Å
154	E	97.4	Very high	94.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.144	C	C	.	.			trans	-73.1	139.2	168	-60.7	-166.6	159.1	0	0	109.8	R126 R127 S128 D129 G130 Q132 F134 G146 N147 N152	R126-E154 WeakPolarHBondContact O-CA 3.3Å; R126-E154 VanDerWaalsContact O-CB 3.29Å; R126-E154 WeakPolarHBondContact O-CB 3.42Å; R127-E154 WeakPolarHBondContact CA-OE1 3.26Å; R127-E154 IonicContact NE-OE1 3.97Å; R127-E154 IonicContact NE-OE2 2.74Å; R127-E154 PolarHBondContact NE-OE2 3.43Å; S128-E154 PolarHBondContact N-OE1 2.9Å; D129-E154 PolarHBondContact N-OE1 2.94Å; D129-E154 WeakPolarHBondContact OD1-CG 3.02Å; G130-E154 PolarHBondContact N-OE1 2.97Å; Q132-E154 HydrophobicContact CB-CB 3.91Å; Q132-E154 HydrophobicContact CG-CB 3.68Å; Q132-E154 WeakPolarHBondContact CG-O 3.45Å; Q132-E154 PolarHBondContact N-OE2 3.43Å; F134-E154 HydrophobicContact CE2-CB 4.32Å; G146-E154 WeakPolarHBondContact CA-O 3.23Å; N147-E154 PolarHBondContact N-O 2.95Å; N152-E154 PolarHBondContact O-N 2.91Å
155	Y	98.3	Very high	94.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	162.8	176.3	70.6	-88.5	0	0	0	112.2	F97 F112 V123 Q125 R126 F145 F148 G153 L157	F97-Y155 HydrophobicContact CE1-CD1 4.47Å; F97-Y155 AromaticContact CE1-CE1 3.95Å; F97-Y155 HydrophobicContact CE1-CE1 3.95Å; F97-Y155 HydrophobicContact CZ-CD1 4.24Å; F97-Y155 AromaticContact CZ-CE1 3.85Å; F97-Y155 HydrophobicContact CZ-CE1 3.85Å; F112-Y155 HydrophobicContact CB-CE1 4.34Å; F112-Y155 VanDerWaalsContact CB-OH 3.25Å; F112-Y155 WeakPolarHBondContact CB-OH 3.44Å; F112-Y155 PolarHBondContact N-OH 3.02Å; V123-Y155 VanDerWaalsContact C-OH 3.32Å; V123-Y155 VanDerWaalsContact CB-OH 3.28Å; V123-Y155 WeakPolarHBondContact CB-OH 3.46Å; V123-Y155 HydrophobicContact CG1-CE1 4.41Å; V123-Y155 VanDerWaalsContact CG1-OH 3.32Å; V123-Y155 WeakPolarHBondContact CG1-OH 3.32Å; V123-Y155 PolarHBondContact O-OH 3.31Å; Q125-Y155 WeakPolarHBondContact CA-O 3.43Å; R126-Y155 HydrophobicContact CB-CD1 4.37Å; R126-Y155 HydrophobicContact CB-CE1 4.32Å; R126-Y155 PolarHBondContact N-O 2.96Å; R126-Y155 VanDerWaalsContact N-O 3.08Å; R126-Y155 PolarHBondContact O-N 2.88Å; F145-Y155 CarbonylContact O-C 3.33Å; F145-Y155 VanDerWaalsContact O-CA 3.27Å; F145-Y155 WeakPolarHBondContact O-CA 3.39Å; F145-Y155 VanDerWaalsContact O-CB 3.31Å; F145-Y155 WeakPolarHBondContact O-CB 3.32Å; F148-Y155 HydrophobicContact CD1-CD2 4.03Å; F148-Y155 HydrophobicContact CD1-CE2 4.35Å; F148-Y155 HydrophobicContact CD1-CG 4.33Å; F148-Y155 AromaticContact CE1-CD2 3.38Å; F148-Y155 HydrophobicContact CE1-CD2 3.38Å; F148-Y155 AromaticContact CE1-CE2 3.85Å; F148-Y155 HydrophobicContact CE1-CE2 3.85Å; F148-Y155 AromaticContact CE1-CG 4Å; F148-Y155 HydrophobicContact CE1-CG 4Å; F148-Y155 AromaticContact CZ-CD2 3.82Å; F148-Y155 HydrophobicContact CZ-CD2 3.82Å; F148-Y155 HydrophobicContact CZ-CG 4.27Å; G153-Y155 WeakPolarHBondContact O-CD1 3.42Å; Y155-L157 HydrophobicContact CE2-CB 4.34Å
156	W	98.8	Very high	94.7	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.8	163.9	-177.7	-102.2	0	0	0	108.2	F124 Q125 F134 Y141 G144 F145 G158 N159 L162 F235 W257 W258 N268	F124-W156 HydrophobicContact CD2-CH2 4.31Å; F124-W156 HydrophobicContact CD2-CZ3 4.25Å; F124-W156 HydrophobicContact CE2-CH2 4.1Å; F124-W156 HydrophobicContact CE2-CZ3 4.14Å; Q125-W156 HydrophobicContact CB-CE3 3.71Å; Q125-W156 HydrophobicContact CB-CZ3 3.78Å; Q125-W156 HydrophobicContact CG-CE3 3.54Å; Q125-W156 HydrophobicContact CG-CZ3 3.76Å; F134-W156 HydrophobicContact CE1-CB 4.18Å; Y141-W156 AromaticContact CD1-CD1 3.68Å; Y141-W156 HydrophobicContact CD1-CD2 4.12Å; Y141-W156 AromaticContact CD1-CE2 3.91Å; Y141-W156 HydrophobicContact CD1-CG 4.02Å; Y141-W156 AromaticContact CD1-NE1 3.62Å; Y141-W156 HydrophobicContact CE1-CD2 4.14Å; Y141-W156 HydrophobicContact CE1-CG 4.17Å; Y141-W156 PolarHBondContact O-NE1 3.08Å; Y141-W156 VanDerWaalsContact O-NE1 3.15Å; G144-W156 CarbonylContact C-O 3.54Å; G144-W156 WeakPolarHBondContact CA-O 3.22Å; F145-W156 HydrophobicContact CD1-CB 4.1Å; F145-W156 HydrophobicContact CD2-CB 4.42Å; F145-W156 HydrophobicContact CE1-CB 3.71Å; F145-W156 HydrophobicContact CE1-CG 4.14Å; F145-W156 HydrophobicContact CE2-CB 4.04Å; F145-W156 HydrophobicContact CG-CB 4.45Å; F145-W156 HydrophobicContact CZ-CB 3.67Å; F145-W156 HydrophobicContact CZ-CG 4.38Å; F145-W156 PolarHBondContact N-O 2.74Å; F145-W156 PolarHBondContact O-N 3.26Å; W156-G158 VanDerWaalsContact CD1-N 3.27Å; W156-G158 PolarHBondContact O-N 2.9Å; W156-N159 VanDerWaalsContact CE2-OD1 3.3Å; W156-N159 WeakPolarHBondContact CZ2-OD1 3.42Å; W156-N159 PolarHBondContact NE1-OD1 2.89Å; W156-L162 HydrophobicContact CZ2-CD2 4.49Å; W156-F235 HydrophobicContact CH2-CE2 4.36Å; W156-F235 HydrophobicContact CZ2-CE2 4.03Å; W156-F235 HydrophobicContact CZ2-CZ 4.22Å; W156-W257 HydrophobicContact CZ3-CZ3 4.38Å; W156-W258 AromaticContact CH2-CH2 3.82Å; W156-W258 HydrophobicContact CH2-CH2 3.82Å; W156-W258 HydrophobicContact CH2-CZ3 4.18Å; W156-W258 HydrophobicContact CZ2-CH2 4.31Å; W156-N268 WeakPolarHBondContact CZ3-ND2 3.21Å
157	L	98.6	Very high	94.7	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	12%	0.123	C	C	.	.			trans	-65.7	-22.9	-173.2	-176.8	63.2	0	0	0	114.1	F109 L110 A111 F124 F148 Y155 N161 L165	F109-L157 HydrophobicContact CD2-CD1 3.89Å; F109-L157 HydrophobicContact CE2-CD1 4.08Å; F109-L157 HydrophobicContact CE2-CD2 4.17Å; L110-L157 WeakPolarHBondContact O-CD1 3.38Å; A111-L157 HydrophobicContact CB-CD1 3.85Å; A111-L157 HydrophobicContact CB-CD2 4.42Å; F124-L157 HydrophobicContact CB-CB 3.8Å; F124-L157 HydrophobicContact CB-CD2 3.73Å; F124-L157 HydrophobicContact CB-CG 4.43Å; F124-L157 WeakPolarHBondContact O-CB 3.43Å; F124-L157 PolarHBondContact O-N 3.09Å; F148-L157 HydrophobicContact CE1-CD1 4.09Å; Y155-L157 HydrophobicContact CE2-CB 4.34Å; L157-N161 HydrophobicContact CD2-CB 4.32Å; L157-N161 HydrophobicContact CG-CB 3.94Å; L157-N161 PolarHBondContact O-ND2 2.9Å; L157-L165 HydrophobicContact CD2-CD1 3.46Å; L157-L165 VanDerWaalsContact CD2-CD1 3.46Å
158	G	98.7	Very high	94.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.			trans	103.5	132.1	-172.3	0	0	0	0	0	111.7	Y141 E142 G144 W156 K160 N161 L162	Y141-G158 CarbonylContact O-C 3.46Å; Y141-G158 WeakPolarHBondContact O-CA 3.48Å; E142-G158 CarbonylContact O-C 3.45Å; E142-G158 WeakPolarHBondContact O-CA 3.48Å; G144-G158 VanDerWaalsContact CA-CA 3.48Å; W156-G158 VanDerWaalsContact CD1-N 3.27Å; W156-G158 PolarHBondContact O-N 2.9Å; G158-K160 PolarHBondContact O-N 3.07Å; G158-N161 PolarHBondContact O-N 2.87Å; G158-L162 WeakPolarHBondContact O-CB 3.5Å; G158-L162 PolarHBondContact O-N 3.14Å
159	N	98.9	Very high	95	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-36.1	-178.1	-65.3	-12.8	0	0	0	111.6	Y141 E142 W156 L162 H163 Y201 F235	Y141-N159 VanDerWaalsContact O-CG 3.28Å; Y141-N159 PolarHBondContact O-N 2.71Å; Y141-N159 PolarHBondContact O-OD1 2.79Å; E142-N159 PolarHBondContact O-N 2.92Å; E142-N159 VanDerWaalsContact O-N 3.12Å; W156-N159 VanDerWaalsContact CE2-OD1 3.3Å; W156-N159 WeakPolarHBondContact CZ2-OD1 3.42Å; W156-N159 PolarHBondContact NE1-OD1 2.89Å; N159-L162 PolarHBondContact O-N 2.96Å; N159-H163 WeakPolarHBondContact O-CB 3.5Å; N159-H163 PolarHBondContact O-N 3.04Å; N159-Y201 HydrophobicContact CB-CD1 3.57Å; N159-Y201 HydrophobicContact CB-CD2 3.68Å; N159-Y201 HydrophobicContact CB-CE1 3.79Å; N159-Y201 HydrophobicContact CB-CE2 3.9Å; N159-Y201 HydrophobicContact CB-CG 3.53Å; N159-F235 VanDerWaalsContact ND2-CD1 3.27Å; N159-F235 WeakPolarHBondContact ND2-CD1 3.15Å; N159-F235 WeakPolarHBondContact ND2-CE1 3.41Å
160	K	98.4	Very high	95.5	Very high	65 Å²	65	26.9 Å²	26.9	28%	0.283	15%	0.148	S	C	.	.	H	α-helix	trans	-64.3	-46	177.5	-175.5	174.4	179.5	177.2	0	112.3	E142 E143 G158 H163 Y164	E142-K160 HydrophobicContact CG-CB 4.35Å; E142-K160 WeakPolarHBondContact O-CB 3.39Å; E142-K160 PolarHBondContact O-N 2.81Å; E143-K160 IonicContact OE1-NZ 3.56Å; E143-K160 PolarHBondContact OE1-NZ 3.48Å; G158-K160 PolarHBondContact O-N 3.07Å; K160-H163 WeakPolarHBondContact O-CB 3.36Å; K160-H163 PolarHBondContact O-N 2.94Å; K160-Y164 HydrophobicContact CG-CD2 4.23Å; K160-Y164 HydrophobicContact CG-CE2 3.74Å; K160-Y164 WeakPolarHBondContact O-CD2 3.42Å; K160-Y164 PolarHBondContact O-N 2.88Å; K160-Y164 VanDerWaalsContact O-N 3.11Å
161	N	98.4	Very high	96.1	Very high	29 Å²	29	23.3 Å²	23.3	16%	0.155	13%	0.129	C	C	.	.	H	α-helix	trans	-65.9	-40.5	176.2	-67.4	-29.5	0	0	0	111.2	F109 L157 G158 Y164 L165	F109-N161 HydrophobicContact CD1-CB 4.02Å; F109-N161 VanDerWaalsContact CD1-OD1 3.3Å; F109-N161 WeakPolarHBondContact CD1-OD1 3.36Å; F109-N161 HydrophobicContact CD2-CB 4.46Å; F109-N161 HydrophobicContact CE1-CB 3.9Å; F109-N161 HydrophobicContact CE2-CB 4.39Å; F109-N161 HydrophobicContact CG-CB 4.3Å; F109-N161 HydrophobicContact CZ-CB 4.13Å; L157-N161 HydrophobicContact CD2-CB 4.32Å; L157-N161 HydrophobicContact CG-CB 3.94Å; L157-N161 PolarHBondContact O-ND2 2.9Å; G158-N161 PolarHBondContact O-N 2.87Å; N161-Y164 PolarHBondContact O-N 2.67Å; N161-L165 WeakPolarHBondContact O-CG 3.39Å; N161-L165 PolarHBondContact O-N 3.37Å
162	L	98.6	Very high	97	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-65.4	-38.3	176.8	-174	58	0	0	0	112.5	F124 W156 G158 N159 L165 T166 F192 V194 W258	F124-L162 HydrophobicContact CB-CD1 3.99Å; F124-L162 HydrophobicContact CD1-CD1 3.95Å; F124-L162 HydrophobicContact CD2-CD1 4.1Å; F124-L162 HydrophobicContact CD2-CD2 3.67Å; F124-L162 HydrophobicContact CE1-CD1 4.42Å; F124-L162 HydrophobicContact CE2-CD2 3.78Å; F124-L162 HydrophobicContact CG-CD1 3.75Å; F124-L162 HydrophobicContact CG-CD2 4.21Å; F124-L162 HydrophobicContact CZ-CD2 4.39Å; W156-L162 HydrophobicContact CZ2-CD2 4.49Å; G158-L162 WeakPolarHBondContact O-CB 3.5Å; G158-L162 PolarHBondContact O-N 3.14Å; N159-L162 PolarHBondContact O-N 2.96Å; L162-L165 PolarHBondContact O-N 2.98Å; L162-T166 HydrophobicContact CD1-CG2 3.94Å; L162-T166 HydrophobicContact CG-CG2 4.5Å; L162-T166 WeakPolarHBondContact O-CB 3.15Å; L162-T166 WeakPolarHBondContact O-CG2 3.45Å; L162-T166 PolarHBondContact O-N 3.44Å; L162-T166 PolarHBondContact O-OG1 3.11Å; L162-F192 HydrophobicContact CD1-CE1 4.33Å; L162-V194 HydrophobicContact CD2-CG2 3.72Å; L162-V194 HydrophobicContact CG-CB 4.29Å; L162-V194 HydrophobicContact CG-CG2 3.81Å; L162-W258 HydrophobicContact CD2-CH2 4.21Å; L162-W258 HydrophobicContact CD2-CZ2 4.41Å
163	H	98.6	Very high	97.6	Very high	29 Å²	29	21.2 Å²	21.2	13%	0.134	12%	0.117	C	C	.	.	H	α-helix	trans	-58.7	-51.3	171.9	166.5	62.4	0	0	0	111.2	N159 K160 L165 T166 S167 V194 A195 G196 Y201	N159-H163 WeakPolarHBondContact O-CB 3.5Å; N159-H163 PolarHBondContact O-N 3.04Å; K160-H163 WeakPolarHBondContact O-CB 3.36Å; K160-H163 PolarHBondContact O-N 2.94Å; H163-L165 VanDerWaalsContact C-N 3.33Å; H163-L165 PolarHBondContact O-N 3.45Å; H163-T166 PolarHBondContact O-N 2.96Å; H163-S167 PolarHBondContact CE1-OG 2.86Å; H163-S167 PolarHBondContact ND1-OG 2.84Å; H163-S167 WeakPolarHBondContact O-CB 3.36Å; H163-S167 PolarHBondContact O-N 2.95Å; H163-S167 PolarHBondContact O-OG 2.92Å; H163-V194 HydrophobicContact CB-CG1 4.49Å; H163-V194 PolarHBondContact ND1-O 3.38Å; H163-A195 PolarHBondContact ND1-O 3.4Å; H163-G196 PolarHBondContact CE1-N 2.99Å; H163-G196 PolarHBondContact ND1-N 3.13Å; H163-Y201 HydrophobicContact CB-CD1 4.48Å
164	Y	98.4	Very high	98	Very high	50 Å²	50	23 Å²	23	20%	0.196	12%	0.123	C	C	.	.	H	α-helix	trans	-62.1	-39.9	179.3	-73.5	-57.2	0	0	0	112.4	Q104 P106 K160 N161 Q168	Q104-Y164 HydrophobicContact CB-CD1 4.13Å; Q104-Y164 HydrophobicContact CB-CE1 4.38Å; Q104-Y164 VanDerWaalsContact O-CE1 3.29Å; Q104-Y164 WeakPolarHBondContact O-CE1 3.35Å; P106-Y164 HydrophobicContact CG-CE2 4.45Å; K160-Y164 HydrophobicContact CG-CD2 4.23Å; K160-Y164 HydrophobicContact CG-CE2 3.74Å; K160-Y164 WeakPolarHBondContact O-CD2 3.42Å; K160-Y164 PolarHBondContact O-N 2.88Å; K160-Y164 VanDerWaalsContact O-N 3.11Å; N161-Y164 PolarHBondContact O-N 2.67Å; Y164-Q168 WeakPolarHBondContact O-CG 3.46Å
165	L	97.9	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-50.6	176.3	-80.9	165.6	0	0	0	112.2	D83 M100 P102 F109 T122 L157 N161 L162 H163 S167 Q168 Y171	D83-L165 HydrophobicContact CB-CD2 4.14Å; M100-L165 HydrophobicContact SD-CD2 4.27Å; P102-L165 HydrophobicContact CG-CD2 3.65Å; P102-L165 HydrophobicContact CG-CG 3.83Å; F109-L165 HydrophobicContact CE2-CD1 4.04Å; F109-L165 HydrophobicContact CE2-CG 4.47Å; F109-L165 HydrophobicContact CZ-CD1 3.78Å; F109-L165 HydrophobicContact CZ-CD2 4.07Å; F109-L165 HydrophobicContact CZ-CG 3.76Å; T122-L165 HydrophobicContact CG2-CD1 3.97Å; T122-L165 HydrophobicContact CG2-CD2 4.42Å; L157-L165 HydrophobicContact CD2-CD1 3.46Å; L157-L165 VanDerWaalsContact CD2-CD1 3.46Å; N161-L165 WeakPolarHBondContact O-CG 3.39Å; N161-L165 PolarHBondContact O-N 3.37Å; L162-L165 PolarHBondContact O-N 2.98Å; H163-L165 VanDerWaalsContact C-N 3.33Å; H163-L165 PolarHBondContact O-N 3.45Å; L165-S167 VanDerWaalsContact C-N 3.31Å; L165-S167 PolarHBondContact O-N 3.41Å; L165-Q168 WeakPolarHBondContact O-CG 3.4Å; L165-Q168 PolarHBondContact O-NE2 2.93Å; L165-Y171 WeakPolarHBondContact O-CE2 3.39Å
166	T	98.1	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-83.2	-8.1	-171.9	60.3	0	0	0	0	113.6	L162 H163 F192 V194 V303	L162-T166 HydrophobicContact CD1-CG2 3.94Å; L162-T166 HydrophobicContact CG-CG2 4.5Å; L162-T166 WeakPolarHBondContact O-CB 3.15Å; L162-T166 WeakPolarHBondContact O-CG2 3.45Å; L162-T166 PolarHBondContact O-N 3.44Å; L162-T166 PolarHBondContact O-OG1 3.11Å; H163-T166 PolarHBondContact O-N 2.96Å; T166-F192 HydrophobicContact CG2-CD1 3.83Å; T166-F192 HydrophobicContact CG2-CE1 4.02Å; T166-V194 PolarHBondContact OG1-N 3.42Å; T166-V303 HydrophobicContact CG2-CG1 4.33Å
167	S	97.1	Very high	98.1	Very high	24 Å²	24	24 Å²	24	17%	0.168	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-2.8	175.5	-64.5	0	0	0	0	114	H163 L165 G169	H163-S167 PolarHBondContact CE1-OG 2.86Å; H163-S167 PolarHBondContact ND1-OG 2.84Å; H163-S167 WeakPolarHBondContact O-CB 3.36Å; H163-S167 PolarHBondContact O-N 2.95Å; H163-S167 PolarHBondContact O-OG 2.92Å; L165-S167 VanDerWaalsContact C-N 3.31Å; L165-S167 PolarHBondContact O-N 3.41Å; S167-G169 VanDerWaalsContact C-N 3.32Å
168	Q	95.3	Very high	98.1	Very high	52 Å²	52	25 Å²	25	24%	0.243	14%	0.135	C	C	.	.	S	Bend	trans	-76.2	-21.6	-179.3	-50.6	-174.6	90.4	0	0	113.2	P102 T103 Y164 L165 Y171	P102-Q168 HydrophobicContact CB-CG 4.23Å; T103-Q168 PolarHBondContact OG1-OE1 3.08Å; Y164-Q168 WeakPolarHBondContact O-CG 3.46Å; L165-Q168 WeakPolarHBondContact O-CG 3.4Å; L165-Q168 PolarHBondContact O-NE2 2.93Å; Q168-Y171 HydrophobicContact CB-CE2 4.09Å; Q168-Y171 PolarHBondContact NE2-OH 2.84Å; Q168-Y171 VanDerWaalsContact NE2-OH 3.13Å
169	G	95.8	Very high	98.1	Very high	43 Å²	43	25.2 Å²	25.2	44%	0.443	14%	0.136	S	C	.	.	S	Bend	trans	175.6	-159.7	-174.7	0	0	0	0	0	111	S167 Y171	S167-G169 VanDerWaalsContact C-N 3.32Å; G169-Y171 PolarHBondContact O-N 3.29Å
170	N	97.2	Very high	97.9	Very high	113 Å²	113	28.3 Å²	28.3	60%	0.604	15%	0.149	S	C	*	.			trans	-83.4	116.2	174.3	-72	-30.9	0	0	0	109.6	A306	N170-A306 HydrophobicContact CB-CB 4.07Å; N170-A306 WeakPolarHBondContact O-CB 3.18Å; N170-A306 PolarHBondContact O-N 3.35Å
171	Y	98.3	Very high	97.8	Very high	9 Å²	9	30.6 Å²	30.6	4%	0.035	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	146.5	174.8	-79.3	-106.4	0	0	0	111.2	D83 L165 Q168 G169 R191 F192 V303 R304 P305	D83-Y171 PolarHBondContact OD2-OH 2.92Å; L165-Y171 WeakPolarHBondContact O-CE2 3.39Å; Q168-Y171 HydrophobicContact CB-CE2 4.09Å; Q168-Y171 PolarHBondContact NE2-OH 2.84Å; Q168-Y171 VanDerWaalsContact NE2-OH 3.13Å; G169-Y171 PolarHBondContact O-N 3.29Å; Y171-R191 CarbonylContact O-C 3.56Å; Y171-R191 WeakPolarHBondContact O-CA 3.4Å; Y171-R191 PolarHBondContact O-N 3.36Å; Y171-R191 VanDerWaalsContact O-N 3.14Å; Y171-F192 PolarHBondContact O-N 3.15Å; Y171-V303 HydrophobicContact CD1-CB 4.01Å; Y171-V303 HydrophobicContact CD1-CG2 4.1Å; Y171-R304 CarbonylContact C-O 3.57Å; Y171-R304 WeakPolarHBondContact CA-O 3.48Å; Y171-P305 HydrophobicContact CD1-CG 4.43Å; Y171-P305 HydrophobicContact CE1-CG 3.73Å
172	T	98.4	Very high	97.6	Very high	23 Å²	23	31.5 Å²	31.5	14%	0.141	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.2	167.3	-61.4	0	0	0	0	108.4	W121 Y189 V303 R304	W121-T172 HydrophobicContact CH2-CG2 4.35Å; T172-Y189 WeakPolarHBondContact CA-O 3.27Å; T172-V303 VanDerWaalsContact O-CA 3.27Å; T172-V303 WeakPolarHBondContact O-CA 3.42Å; T172-R304 PolarHBondContact N-O 3.12Å; T172-R304 PolarHBondContact O-N 2.67Å; T172-R304 VanDerWaalsContact O-N 3.1Å
173	L	98.8	Very high	97.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	137	166.9	168.8	66.4	0	0	0	109.2	F124 I175 Q188 Y189 F192 L216 M301 V303	F124-L173 HydrophobicContact CE1-CD1 3.55Å; F124-L173 HydrophobicContact CZ-CD1 3.72Å; L173-I175 HydrophobicContact CD1-CG1 4.06Å; L173-I175 HydrophobicContact CD2-CD1 4.03Å; L173-I175 HydrophobicContact CD2-CG1 4.19Å; L173-I175 HydrophobicContact CG-CD1 4.44Å; L173-I175 HydrophobicContact CG-CG1 4.06Å; L173-Q188 CarbonylContact O-C 3.39Å; L173-Q188 WeakPolarHBondContact O-CA 3.31Å; L173-Y189 HydrophobicContact CD2-CD2 3.99Å; L173-Y189 HydrophobicContact CG-CD2 4.44Å; L173-Y189 PolarHBondContact N-O 2.56Å; L173-Y189 PolarHBondContact O-N 2.87Å; L173-F192 HydrophobicContact CB-CB 3.58Å; L173-F192 HydrophobicContact CB-CD1 4.04Å; L173-F192 HydrophobicContact CB-CD2 3.91Å; L173-F192 HydrophobicContact CB-CG 3.57Å; L173-F192 HydrophobicContact CD2-CD2 3.62Å; L173-F192 HydrophobicContact CD2-CE2 3.69Å; L173-F192 HydrophobicContact CD2-CG 4.16Å; L173-F192 HydrophobicContact CD2-CZ 4.3Å; L173-F192 HydrophobicContact CG-CD2 4.32Å; L173-F192 HydrophobicContact CG-CG 4.37Å; L173-L216 HydrophobicContact CD2-CD1 3.92Å; L173-M301 HydrophobicContact CD1-CB 4.41Å; L173-M301 HydrophobicContact CD1-CE 4.32Å; L173-M301 HydrophobicContact CD2-CE 4.47Å; L173-V303 HydrophobicContact CD1-CG1 4.35Å
174	R	98.5	Very high	97.6	Very high	41 Å²	41	43.4 Å²	43.4	16%	0.155	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.2	165.5	179.4	171.1	175	128.7	6.2	109.7	W121 D176 A187 Q188 K302	W121-R174 HydrophobicContact CE3-CB 4.23Å; W121-R174 HydrophobicContact CH2-CB 3.65Å; W121-R174 HydrophobicContact CZ2-CB 4.31Å; W121-R174 HydrophobicContact CZ3-CB 3.6Å; R174-D176 IonicContact CZ-OD1 2.74Å; R174-D176 VanDerWaalsContact CZ-OD1 3.25Å; R174-D176 IonicContact NE-OD1 3.65Å; R174-D176 PolarHBondContact NE-OD1 3.06Å; R174-D176 IonicContact NE-OD2 3.65Å; R174-D176 IonicContact NH2-OD1 3.14Å; R174-D176 PolarHBondContact NH2-OD1 2.74Å; R174-A187 CarbonylContact C-O 3.55Å; R174-A187 WeakPolarHBondContact CA-O 3.19Å; R174-Q188 HydrophobicContact CB-CG 3.96Å; R174-Q188 HydrophobicContact CG-CG 3.91Å; R174-K302 HydrophobicContact CB-CG 4.08Å; R174-K302 PolarHBondContact N-O 3.34Å; R174-K302 PolarHBondContact O-N 2.86Å
175	I	98.8	Very high	97.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.7	175.3	-55	170.8	0	0	0	107.1	L173 L177 F186 A187 Y189 L216 L267 W286 V299 V300 M301	L173-I175 HydrophobicContact CD1-CG1 4.06Å; L173-I175 HydrophobicContact CD2-CD1 4.03Å; L173-I175 HydrophobicContact CD2-CG1 4.19Å; L173-I175 HydrophobicContact CG-CD1 4.44Å; L173-I175 HydrophobicContact CG-CG1 4.06Å; I175-L177 HydrophobicContact CG2-CD2 3.47Å; I175-L177 VanDerWaalsContact CG2-CD2 3.47Å; I175-L177 HydrophobicContact CG2-CG 3.99Å; I175-F186 CarbonylContact O-C 3.53Å; I175-F186 WeakPolarHBondContact O-CA 3.46Å; I175-F186 WeakPolarHBondContact O-CB 3.29Å; I175-A187 HydrophobicContact CB-CB 4.43Å; I175-A187 PolarHBondContact N-O 2.87Å; I175-A187 PolarHBondContact O-N 2.63Å; I175-Y189 HydrophobicContact CD1-CE2 4.31Å; I175-L216 HydrophobicContact CD1-CD1 3.68Å; I175-L216 HydrophobicContact CD1-CG 4.37Å; I175-L267 HydrophobicContact CD1-CD1 4Å; I175-L267 HydrophobicContact CG2-CD1 3.72Å; I175-W286 HydrophobicContact CD1-CH2 3.92Å; I175-W286 HydrophobicContact CD1-CZ3 3.9Å; I175-V299 HydrophobicContact CG2-CG1 4.12Å; I175-V300 WeakPolarHBondContact CA-O 3.15Å; I175-M301 HydrophobicContact CD1-CE 3.93Å; I175-M301 HydrophobicContact CG1-CE 4.13Å; I175-M301 HydrophobicContact CG1-CG 4.23Å; I175-M301 HydrophobicContact CG2-CG 4.37Å
176	D	98.5	Very high	97.6	Very high	22 Å²	22	47.6 Å²	47.6	12%	0.118	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.2	172.5	-64	-44.9	0	0	0	109.1	R174 V299 V300 K302	R174-D176 IonicContact CZ-OD1 2.74Å; R174-D176 VanDerWaalsContact CZ-OD1 3.25Å; R174-D176 IonicContact NE-OD1 3.65Å; R174-D176 PolarHBondContact NE-OD1 3.06Å; R174-D176 IonicContact NE-OD2 3.65Å; R174-D176 IonicContact NH2-OD1 3.14Å; R174-D176 PolarHBondContact NH2-OD1 2.74Å; D176-V299 CarbonylContact O-C 3.6Å; D176-V299 WeakPolarHBondContact O-CA 3.35Å; D176-V300 HydrophobicContact CB-CB 4.44Å; D176-V300 PolarHBondContact N-O 2.96Å; D176-V300 PolarHBondContact O-N 2.86Å; D176-K302 WeakPolarHBondContact OD2-CE 3.39Å; D176-K302 IonicContact OD2-NZ 2.7Å; D176-K302 PolarHBondContact OD2-NZ 3.03Å
177	L	98.6	Very high	97.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.9	-174.2	-53.5	172.5	0	0	0	109.9	I175 R184 R185 A212 L267 W286 W289 L296 S298 V299	I175-L177 HydrophobicContact CG2-CD2 3.47Å; I175-L177 VanDerWaalsContact CG2-CD2 3.47Å; I175-L177 HydrophobicContact CG2-CG 3.99Å; L177-R184 WeakPolarHBondContact O-CA 3.21Å; L177-R185 PolarHBondContact N-O 3.44Å; L177-R185 PolarHBondContact O-N 3.46Å; L177-A212 HydrophobicContact CD1-CB 3.78Å; L177-L267 HydrophobicContact CD2-CD2 4.04Å; L177-W286 HydrophobicContact CD1-CB 4.09Å; L177-W286 HydrophobicContact CD1-CD2 3.71Å; L177-W286 HydrophobicContact CD1-CE3 4.29Å; L177-W286 HydrophobicContact CD1-CG 3.62Å; L177-W289 HydrophobicContact CB-CE3 4.32Å; L177-W289 HydrophobicContact CB-CZ3 3.81Å; L177-W289 HydrophobicContact CD1-CE3 4.46Å; L177-L296 HydrophobicContact CB-CD1 4.2Å; L177-L296 HydrophobicContact CD1-CD1 4.27Å; L177-L296 HydrophobicContact CD2-CD1 3.73Å; L177-L296 HydrophobicContact CG-CD1 4.29Å; L177-S298 WeakPolarHBondContact CA-O 3.36Å; L177-V299 HydrophobicContact CD2-CB 4.33Å; L177-V299 HydrophobicContact CD2-CG1 3.96Å; L177-V299 HydrophobicContact CD2-CG2 3.8Å
178	T	98.6	Very high	97.7	Very high	24 Å²	24	48.5 Å²	48.5	15%	0.147	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138.1	172.2	-41.6	0	0	0	0	109.8	E183 R184 K297 S298	T178-E183 VanDerWaalsContact CA-O 3.32Å; T178-E183 WeakPolarHBondContact CA-O 3.29Å; T178-E183 WeakPolarHBondContact CG2-O 3.4Å; T178-R184 HydrophobicContact CG2-CG 3.91Å; T178-K297 WeakPolarHBondContact O-CB 3.41Å; T178-K297 PolarHBondContact O-N 2.03Å; T178-S298 WeakPolarHBondContact CB-OG 3.01Å; T178-S298 PolarHBondContact N-O 2.72Å; T178-S298 PolarHBondContact O-N 3.09Å; T178-S298 VanDerWaalsContact O-N 3.11Å; T178-S298 PolarHBondContact OG1-OG 2.95Å
179	D	98.1	Very high	97.8	Very high	3 Å²	3	46 Å²	46	2%	0.016	23%	0.233	C	C	.	.			trans	-94.5	-179.4	173.6	71.8	7.1	0	0	0	111.8	E181 G182 E183 W289 H290 Y294 L296 K297	D179-E181 VanDerWaalsContact C-N 3.3Å; D179-E181 PolarHBondContact OD1-N 2.81Å; D179-E181 VanDerWaalsContact OD1-N 3.16Å; D179-G182 PolarHBondContact O-N 3.27Å; D179-G182 PolarHBondContact OD1-N 2.71Å; D179-E183 PolarHBondContact N-O 3.32Å; D179-E183 PolarHBondContact OD1-N 3.49Å; D179-W289 HydrophobicContact CB-CH2 3.58Å; D179-W289 HydrophobicContact CB-CZ2 3.83Å; D179-W289 HydrophobicContact CB-CZ3 4.28Å; D179-W289 WeakPolarHBondContact OD2-CZ2 3.39Å; D179-H290 WeakPolarHBondContact CB-NE2 3.39Å; D179-H290 IonicContact OD2-CE1 3.74Å; D179-H290 IonicContact OD2-NE2 3.72Å; D179-H290 PolarHBondContact OD2-NE2 3.3Å; D179-Y294 HydrophobicContact CB-CE1 4.03Å; D179-Y294 WeakPolarHBondContact CB-OH 3.41Å; D179-L296 HydrophobicContact CB-CD2 4.48Å; D179-K297 WeakPolarHBondContact O-CB 3.43Å
180	F	96.6	Very high	98	Very high	65 Å²	65	46.2 Å²	46.2	29%	0.285	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-16.5	-179.2	-78.5	-87	0	0	0	113.3	G182 Y271 K273 Y294 S295 K297	F180-G182 VanDerWaalsContact C-N 3.25Å; F180-Y271 HydrophobicContact CZ-CE1 4.12Å; F180-K273 HydrophobicContact CE1-CB 3.98Å; F180-K273 HydrophobicContact CE1-CG 3.92Å; F180-K273 HydrophobicContact CE2-CB 4.36Å; F180-K273 VanDerWaalsContact CZ-CA 3.47Å; F180-K273 HydrophobicContact CZ-CB 3.89Å; F180-K273 HydrophobicContact CZ-CG 3.83Å; F180-Y294 PolarHBondContact N-OH 3.23Å; F180-S295 WeakPolarHBondContact CE2-O 3.31Å; F180-K297 HydrophobicContact CD1-CB 4.06Å; F180-K297 HydrophobicContact CD1-CD 4.12Å; F180-K297 HydrophobicContact CD1-CG 4.04Å; F180-K297 HydrophobicContact CD2-CB 3.75Å; F180-K297 HydrophobicContact CE1-CB 3.96Å; F180-K297 HydrophobicContact CE1-CD 4.25Å; F180-K297 HydrophobicContact CE1-CG 3.77Å; F180-K297 HydrophobicContact CE2-CB 3.64Å; F180-K297 HydrophobicContact CE2-CG 4.34Å; F180-K297 HydrophobicContact CG-CB 3.96Å; F180-K297 HydrophobicContact CG-CG 4.44Å; F180-K297 HydrophobicContact CZ-CB 3.73Å; F180-K297 HydrophobicContact CZ-CG 3.92Å
181	E	96	Very high	98	Very high	114 Å²	114	47 Å²	47	53%	0.533	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-12.4	171.4	-66.2	72	-162.6	0	0	112.3	D179 Y294	D179-E181 VanDerWaalsContact C-N 3.3Å; D179-E181 PolarHBondContact OD1-N 2.81Å; D179-E181 VanDerWaalsContact OD1-N 3.16Å; E181-Y294 PolarHBondContact OE2-OH 3.34Å
182	G	94.5	Very high	98	Very high	48 Å²	48	46.7 Å²	46.7	50%	0.495	22%	0.218	S	C	.	.			trans	88.2	8.5	178	0	0	0	0	0	113.8	D179 F180	D179-G182 PolarHBondContact O-N 3.27Å; D179-G182 PolarHBondContact OD1-N 2.71Å; F180-G182 VanDerWaalsContact C-N 3.25Å
183	E	97.7	Very high	98	Very high	107 Å²	107	51.7 Å²	51.7	50%	0.5	24%	0.235	S	C	.	.			trans	-69.4	141.8	170.2	-68.5	-144.4	143.8	0	0	110.1	T178 D179 W289	T178-E183 VanDerWaalsContact CA-O 3.32Å; T178-E183 WeakPolarHBondContact CA-O 3.29Å; T178-E183 WeakPolarHBondContact CG2-O 3.4Å; D179-E183 PolarHBondContact N-O 3.32Å; D179-E183 PolarHBondContact OD1-N 3.49Å; E183-W289 HydrophobicContact CB-CH2 4.42Å; E183-W289 HydrophobicContact CB-CZ2 3.87Å; E183-W289 WeakPolarHBondContact O-CH2 3.41Å
184	R	97.9	Very high	98	Very high	173 Å²	173	51.7 Å²	51.7	65%	0.653	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.5	-178.8	-64	176.9	72.5	-165.3	-1	109.8	L177 T178	L177-R184 WeakPolarHBondContact O-CA 3.21Å; T178-R184 HydrophobicContact CG2-CG 3.91Å
185	R	98.4	Very high	98	Very high	80 Å²	80	50.7 Å²	50.7	30%	0.302	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	161.8	173.5	-62.2	-167.7	-179.8	-164.2	6.4	110.3	L177 T211 A212 W289	L177-R185 PolarHBondContact N-O 3.44Å; L177-R185 PolarHBondContact O-N 3.46Å; R185-T211 WeakPolarHBondContact CA-OG1 3.48Å; R185-T211 WeakPolarHBondContact CD-O 3.45Å; R185-T211 PolarHBondContact NH1-O 3.27Å; R185-A212 HydrophobicContact CB-CB 3.85Å; R185-W289 HydrophobicContact CB-CE3 4.4Å; R185-W289 HydrophobicContact CB-CZ3 4.33Å; R185-W289 HydrophobicContact CG-CD2 4.29Å; R185-W289 HydrophobicContact CG-CE3 4.44Å; R185-W289 HydrophobicContact CG-CH2 4.21Å; R185-W289 HydrophobicContact CG-CZ2 4.05Å; R185-W289 HydrophobicContact CG-CZ3 4.41Å; R185-W289 VanDerWaalsContact CZ-CD1 3.42Å
186	F	98.4	Very high	98	Very high	57 Å²	57	50.8 Å²	50.8	25%	0.25	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	155.6	174.6	74	-87.1	0	0	0	111.8	I175 Q188 G210 T211 A212	I175-F186 CarbonylContact O-C 3.53Å; I175-F186 WeakPolarHBondContact O-CA 3.46Å; I175-F186 WeakPolarHBondContact O-CB 3.29Å; F186-Q188 HydrophobicContact CD2-CG 3.97Å; F186-Q188 HydrophobicContact CE2-CG 4.15Å; F186-G210 CarbonylContact O-C 3.51Å; F186-G210 WeakPolarHBondContact O-CA 3.45Å; F186-T211 HydrophobicContact CE1-CG2 4.04Å; F186-T211 PolarHBondContact N-OG1 3.04Å; F186-T211 PolarHBondContact O-N 3.22Å; F186-A212 WeakPolarHBondContact O-CB 3.21Å; F186-A212 PolarHBondContact O-N 3.02Å
187	A	98.5	Very high	97.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.3	169.7	0	0	0	0	0	109.2	R174 I175 Y189 Y208 A212 W286	R174-A187 CarbonylContact C-O 3.55Å; R174-A187 WeakPolarHBondContact CA-O 3.19Å; I175-A187 HydrophobicContact CB-CB 4.43Å; I175-A187 PolarHBondContact N-O 2.87Å; I175-A187 PolarHBondContact O-N 2.63Å; A187-Y189 HydrophobicContact CB-CE2 3.77Å; A187-Y208 HydrophobicContact CB-CD2 4.46Å; A187-Y208 HydrophobicContact CB-CE2 3.78Å; A187-A212 HydrophobicContact CB-CB 4.26Å; A187-W286 HydrophobicContact CB-CH2 3.88Å; A187-W286 HydrophobicContact CB-CZ2 3.57Å
188	Q	98.3	Very high	97.9	Very high	44 Å²	44	60.3 Å²	60.3	21%	0.206	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.4	176.7	-76.9	-180	22.9	0	0	110.4	L173 R174 F186 Y208 S209	L173-Q188 CarbonylContact O-C 3.39Å; L173-Q188 WeakPolarHBondContact O-CA 3.31Å; R174-Q188 HydrophobicContact CB-CG 3.96Å; R174-Q188 HydrophobicContact CG-CG 3.91Å; F186-Q188 HydrophobicContact CD2-CG 3.97Å; F186-Q188 HydrophobicContact CE2-CG 4.15Å; Q188-Y208 CarbonylContact O-C 3.59Å; Q188-Y208 WeakPolarHBondContact O-CA 3.4Å; Q188-S209 PolarHBondContact N-O 3.39Å; Q188-S209 PolarHBondContact O-N 3.47Å
189	Y	98.6	Very high	97.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	123.3	179.2	-59.6	-92.6	0	0	0	110	T172 L173 I175 A187 C205 E207 Y208 D214 L216 T217 W286	T172-Y189 WeakPolarHBondContact CA-O 3.27Å; L173-Y189 HydrophobicContact CD2-CD2 3.99Å; L173-Y189 HydrophobicContact CG-CD2 4.44Å; L173-Y189 PolarHBondContact N-O 2.56Å; L173-Y189 PolarHBondContact O-N 2.87Å; I175-Y189 HydrophobicContact CD1-CE2 4.31Å; A187-Y189 HydrophobicContact CB-CE2 3.77Å; Y189-C205 HydrophobicContact CD1-CB 4.49Å; Y189-C205 HydrophobicContact CG-CB 4.42Å; Y189-E207 WeakPolarHBondContact CA-O 3.47Å; Y189-Y208 HydrophobicContact CD1-CD2 4.4Å; Y189-Y208 AromaticContact CE1-CD2 3.67Å; Y189-Y208 HydrophobicContact CE1-CD2 3.67Å; Y189-Y208 HydrophobicContact CE1-CG 4.2Å; Y189-Y208 HydrophobicContact CE2-CD2 4.16Å; Y189-Y208 AromaticContact CZ-CD2 3.53Å; Y189-D214 WeakPolarHBondContact CE1-OD1 3.44Å; Y189-D214 PolarHBondContact OH-OD1 3.24Å; Y189-L216 HydrophobicContact CD2-CD1 3.92Å; Y189-L216 HydrophobicContact CE1-CB 4.07Å; Y189-L216 HydrophobicContact CE2-CB 4.2Å; Y189-L216 HydrophobicContact CE2-CD1 3.58Å; Y189-L216 HydrophobicContact CE2-CG 4.17Å; Y189-L216 PolarHBondContact OH-N 3.03Å; Y189-T217 HydrophobicContact CD1-CG2 4.43Å; Y189-T217 HydrophobicContact CE1-CG2 3.91Å; Y189-W286 HydrophobicContact CE2-CH2 4.23Å
190	T	98.3	Very high	97.9	Very high	46 Å²	46	65.7 Å²	65.7	28%	0.282	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	162.3	173.1	61.5	0	0	0	0	111	F192 G206 E207	T190-F192 PolarHBondContact O-N 2.61Å; T190-F192 VanDerWaalsContact O-N 3.07Å; T190-G206 WeakPolarHBondContact O-CA 3.46Å; T190-G206 PolarHBondContact O-N 2.87Å; T190-E207 PolarHBondContact N-O 3.35Å; T190-E207 VanDerWaalsContact N-O 3.08Å; T190-E207 PolarHBondContact OG1-N 3.38Å
191	R	97.9	Very high	98	Very high	130 Å²	130	62.9 Å²	62.9	49%	0.491	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.9	40	170.6	-57.1	-177.4	-69.3	-93.2	2.2	113.5	Y171 E207	Y171-R191 CarbonylContact O-C 3.56Å; Y171-R191 WeakPolarHBondContact O-CA 3.4Å; Y171-R191 PolarHBondContact O-N 3.36Å; Y171-R191 VanDerWaalsContact O-N 3.14Å; R191-E207 IonicContact NH2-OE1 3.25Å
192	F	98.6	Very high	98.2	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129.5	178	178.7	-104.7	0	0	0	110.1	F124 L162 T166 Y171 L173 T190 V194 M203 S204 C205 W258 V303	F124-F192 HydrophobicContact CE1-CE1 4.5Å; F124-F192 HydrophobicContact CZ-CE1 4.34Å; F124-F192 HydrophobicContact CZ-CZ 4.32Å; L162-F192 HydrophobicContact CD1-CE1 4.33Å; T166-F192 HydrophobicContact CG2-CD1 3.83Å; T166-F192 HydrophobicContact CG2-CE1 4.02Å; Y171-F192 PolarHBondContact O-N 3.15Å; L173-F192 HydrophobicContact CB-CB 3.58Å; L173-F192 HydrophobicContact CB-CD1 4.04Å; L173-F192 HydrophobicContact CB-CD2 3.91Å; L173-F192 HydrophobicContact CB-CG 3.57Å; L173-F192 HydrophobicContact CD2-CD2 3.62Å; L173-F192 HydrophobicContact CD2-CE2 3.69Å; L173-F192 HydrophobicContact CD2-CG 4.16Å; L173-F192 HydrophobicContact CD2-CZ 4.3Å; L173-F192 HydrophobicContact CG-CD2 4.32Å; L173-F192 HydrophobicContact CG-CG 4.37Å; T190-F192 PolarHBondContact O-N 2.61Å; T190-F192 VanDerWaalsContact O-N 3.07Å; F192-V194 HydrophobicContact CE1-CG2 4.02Å; F192-V194 HydrophobicContact CZ-CG2 3.85Å; F192-M203 HydrophobicContact CD2-CG 4.15Å; F192-M203 HydrophobicContact CD2-SD 4.34Å; F192-M203 HydrophobicContact CE2-CG 3.39Å; F192-M203 HydrophobicContact CE2-SD 3.98Å; F192-M203 HydrophobicContact CZ-CG 4.1Å; F192-S204 CarbonylContact C-O 3.57Å; F192-S204 WeakPolarHBondContact CA-O 3.27Å; F192-C205 HydrophobicContact CD2-CB 4.12Å; F192-W258 HydrophobicContact CZ-CH2 4.28Å; F192-V303 HydrophobicContact CD1-CG1 3.71Å; F192-V303 HydrophobicContact CE1-CG1 4.01Å
193	R	98.4	Very high	98.4	Very high	128 Å²	128	58.6 Å²	58.6	48%	0.483	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	142.1	-180	-173.3	174.1	-173.1	174.2	1.7	111.6	M203 S204	R193-M203 WeakPolarHBondContact O-CA 3.3Å; R193-S204 PolarHBondContact N-O 3.27Å; R193-S204 PolarHBondContact O-N 3.07Å
194	V	98.7	Very high	98.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.7	169	178.4	0	0	0	0	108.4	L162 H163 T166 F192 Y201 E202 W258	L162-V194 HydrophobicContact CD2-CG2 3.72Å; L162-V194 HydrophobicContact CG-CB 4.29Å; L162-V194 HydrophobicContact CG-CG2 3.81Å; H163-V194 HydrophobicContact CB-CG1 4.49Å; H163-V194 PolarHBondContact ND1-O 3.38Å; T166-V194 PolarHBondContact OG1-N 3.42Å; F192-V194 HydrophobicContact CE1-CG2 4.02Å; F192-V194 HydrophobicContact CZ-CG2 3.85Å; V194-Y201 HydrophobicContact CG1-CD1 4.2Å; V194-E202 WeakPolarHBondContact CA-O 3.2Å; V194-W258 HydrophobicContact CG2-CH2 4.42Å; V194-W258 HydrophobicContact CG2-CZ2 3.77Å
195	A	98.6	Very high	98.4	Very high	21 Å²	21	48.2 Å²	48.2	17%	0.174	23%	0.225	C	C	.	.			trans	-71.9	171.5	179	0	0	0	0	0	111.8	H163 H199 Y201 E202	H163-A195 PolarHBondContact ND1-O 3.4Å; A195-H199 HydrophobicContact CB-CB 3.6Å; A195-Y201 WeakPolarHBondContact O-CA 3.46Å; A195-Y201 VanDerWaalsContact O-CD1 3.31Å; A195-Y201 WeakPolarHBondContact O-CD1 3.31Å; A195-E202 HydrophobicContact CB-CB 4.08Å; A195-E202 PolarHBondContact N-O 2.84Å
196	G	98.3	Very high	98.3	Very high	2 Å²	2	45 Å²	45	2%	0.021	22%	0.216	C	C	.	.			trans	-74.8	178	177.7	0	0	0	0	0	112.5	H163 E198 H199 L200 Y201	H163-G196 PolarHBondContact CE1-N 2.99Å; H163-G196 PolarHBondContact ND1-N 3.13Å; G196-E198 VanDerWaalsContact C-OE2 3.3Å; G196-E198 WeakPolarHBondContact CA-OE1 2.9Å; G196-E198 WeakPolarHBondContact CA-OE2 3.11Å; G196-E198 PolarHBondContact O-N 3.22Å; G196-H199 CarbonylContact O-C 3.47Å; G196-H199 PolarHBondContact O-N 2.91Å; G196-L200 PolarHBondContact O-N 3.07Å; G196-L200 VanDerWaalsContact O-N 3.16Å; G196-Y201 PolarHBondContact O-N 3.05Å
197	E	97.8	Very high	98.3	Very high	86 Å²	86	48.4 Å²	48.4	40%	0.402	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-62.1	-31.7	178.7	-160.3	-164.9	162.1	0	0	112	W138 E142 H199 L200 Y201 R240	W138-E197 HydrophobicContact CZ2-CG 4.34Å; E142-E197 VanDerWaalsContact OE1-CD 3.27Å; E142-E197 WeakPolarHBondContact OE1-CG 3.37Å; E197-H199 PolarHBondContact O-N 3.43Å; E197-L200 WeakPolarHBondContact O-CA 3.42Å; E197-L200 PolarHBondContact O-N 2.89Å; E197-Y201 HydrophobicContact CB-CE1 4.35Å; E197-Y201 HydrophobicContact CB-CE2 4.17Å; E197-Y201 HydrophobicContact CG-CE2 3.89Å; E197-R240 IonicContact OE1-NH1 3.99Å; E197-R240 PolarHBondContact OE1-NH1 3.25Å
198	E	97.9	Very high	98.2	Very high	137 Å²	137	51.6 Å²	51.6	64%	0.64	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-61.1	-23.8	175.5	73	-70.3	167.2	0	0	113	G196	G196-E198 VanDerWaalsContact C-OE2 3.3Å; G196-E198 WeakPolarHBondContact CA-OE1 2.9Å; G196-E198 WeakPolarHBondContact CA-OE2 3.11Å; G196-E198 PolarHBondContact O-N 3.22Å
199	H	98.5	Very high	98.2	Very high	109 Å²	109	52.3 Å²	52.3	51%	0.505	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-111.7	21.3	173.2	-66.4	-60.9	0	0	0	111.7	A195 G196 E197 Y201 E202	A195-H199 HydrophobicContact CB-CB 3.6Å; G196-H199 CarbonylContact O-C 3.47Å; G196-H199 PolarHBondContact O-N 2.91Å; E197-H199 PolarHBondContact O-N 3.43Å; H199-Y201 PolarHBondContact O-N 2.87Å; H199-Y201 VanDerWaalsContact O-N 3.16Å; H199-E202 WeakPolarHBondContact O-CB 3.36Å; H199-E202 PolarHBondContact O-N 2.86Å; H199-E202 VanDerWaalsContact O-N 3.09Å
200	L	98.6	Very high	98.2	Very high	30 Å²	30	53.9 Å²	53.9	16%	0.157	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	36.3	171.7	-54.4	168	0	0	0	113.1	W138 G196 E197 E202 K234 F235	W138-L200 HydrophobicContact CH2-CB 4.41Å; W138-L200 HydrophobicContact CH2-CD2 4.49Å; G196-L200 PolarHBondContact O-N 3.07Å; G196-L200 VanDerWaalsContact O-N 3.16Å; E197-L200 WeakPolarHBondContact O-CA 3.42Å; E197-L200 PolarHBondContact O-N 2.89Å; L200-E202 PolarHBondContact O-N 2.99Å; L200-K234 HydrophobicContact CB-CB 4.03Å; L200-K234 HydrophobicContact CB-CD 4.28Å; L200-K234 HydrophobicContact CB-CG 4.03Å; L200-K234 HydrophobicContact CD1-CD 3.65Å; L200-K234 HydrophobicContact CD1-CG 4.32Å; L200-F235 PolarHBondContact O-N 2.8Å
201	Y	98.8	Very high	98.1	Very high	6 Å²	6	55.3 Å²	55.3	2%	0.024	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	35.3	-178.4	-56.3	-68.1	0	0	0	113.9	W138 E142 N159 H163 V194 A195 G196 E197 H199 M203 W258	W138-Y201 AromaticContact CE2-CE2 3.96Å; W138-Y201 AromaticContact CH2-CD2 3.66Å; W138-Y201 HydrophobicContact CH2-CD2 3.66Å; W138-Y201 HydrophobicContact CH2-CE2 4.21Å; W138-Y201 AromaticContact CZ2-CD2 3.39Å; W138-Y201 HydrophobicContact CZ2-CD2 3.39Å; W138-Y201 AromaticContact CZ2-CE2 3.45Å; W138-Y201 HydrophobicContact CZ2-CE2 3.45Å; W138-Y201 VanDerWaalsContact CZ2-CE2 3.45Å; E142-Y201 HydrophobicContact CB-CE2 4.44Å; E142-Y201 VanDerWaalsContact CD-OH 3.27Å; E142-Y201 HydrophobicContact CG-CE2 4.24Å; E142-Y201 VanDerWaalsContact CG-OH 3.29Å; E142-Y201 WeakPolarHBondContact CG-OH 3.37Å; E142-Y201 VanDerWaalsContact OE1-CE2 3.28Å; E142-Y201 WeakPolarHBondContact OE1-CE2 3.39Å; E142-Y201 PolarHBondContact OE1-OH 2.93Å; N159-Y201 HydrophobicContact CB-CD1 3.57Å; N159-Y201 HydrophobicContact CB-CD2 3.68Å; N159-Y201 HydrophobicContact CB-CE1 3.79Å; N159-Y201 HydrophobicContact CB-CE2 3.9Å; N159-Y201 HydrophobicContact CB-CG 3.53Å; H163-Y201 HydrophobicContact CB-CD1 4.48Å; V194-Y201 HydrophobicContact CG1-CD1 4.2Å; A195-Y201 WeakPolarHBondContact O-CA 3.46Å; A195-Y201 VanDerWaalsContact O-CD1 3.31Å; A195-Y201 WeakPolarHBondContact O-CD1 3.31Å; G196-Y201 PolarHBondContact O-N 3.05Å; E197-Y201 HydrophobicContact CB-CE1 4.35Å; E197-Y201 HydrophobicContact CB-CE2 4.17Å; E197-Y201 HydrophobicContact CG-CE2 3.89Å; H199-Y201 PolarHBondContact O-N 2.87Å; H199-Y201 VanDerWaalsContact O-N 3.16Å; Y201-M203 PolarHBondContact O-N 2.87Å; Y201-W258 PolarHBondContact O-NE1 3.06Å
202	E	98.8	Very high	98.1	Very high	72 Å²	72	49.1 Å²	49.1	34%	0.336	26%	0.256	S	S	.	.			trans	-49.8	131	176.1	-172.4	-174.5	117.9	0	0	111.7	V194 A195 H199 L200 G232 M233	V194-E202 WeakPolarHBondContact CA-O 3.2Å; A195-E202 HydrophobicContact CB-CB 4.08Å; A195-E202 PolarHBondContact N-O 2.84Å; H199-E202 WeakPolarHBondContact O-CB 3.36Å; H199-E202 PolarHBondContact O-N 2.86Å; H199-E202 VanDerWaalsContact O-N 3.09Å; L200-E202 PolarHBondContact O-N 2.99Å; E202-G232 WeakPolarHBondContact CG-O 3.33Å; E202-M233 WeakPolarHBondContact CA-O 3.45Å
203	M	98.3	Very high	98.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.9	177.7	179.2	-85.1	-71.7	0	0	111.5	F192 R193 Y201 C205 L216 H230 G232 M233 W258	F192-M203 HydrophobicContact CD2-CG 4.15Å; F192-M203 HydrophobicContact CD2-SD 4.34Å; F192-M203 HydrophobicContact CE2-CG 3.39Å; F192-M203 HydrophobicContact CE2-SD 3.98Å; F192-M203 HydrophobicContact CZ-CG 4.1Å; R193-M203 WeakPolarHBondContact O-CA 3.3Å; Y201-M203 PolarHBondContact O-N 2.87Å; M203-C205 HydrophobicContact SD-CB 4.26Å; M203-L216 HydrophobicContact CE-CD2 4.49Å; M203-H230 HydrophobicContact CE-CB 3.6Å; M203-H230 VanDerWaalsContact CE-O 3.27Å; M203-H230 WeakPolarHBondContact CE-O 3.31Å; M203-G232 WeakPolarHBondContact O-CA 3.27Å; M203-G232 PolarHBondContact O-N 3.5Å; M203-M233 PolarHBondContact N-O 3.19Å; M203-W258 HydrophobicContact CB-CB 4.48Å; M203-W258 VanDerWaalsContact CB-CD1 3.45Å; M203-W258 HydrophobicContact CB-CD2 3.59Å; M203-W258 VanDerWaalsContact CB-CE2 3.44Å; M203-W258 HydrophobicContact CB-CE3 4.37Å; M203-W258 HydrophobicContact CB-CG 3.61Å; M203-W258 HydrophobicContact CB-CZ2 4.08Å; M203-W258 VanDerWaalsContact CB-NE1 3.33Å; M203-W258 HydrophobicContact CE-CB 4.47Å; M203-W258 HydrophobicContact CE-CD2 4.47Å; M203-W258 HydrophobicContact CE-CE3 4.4Å; M203-W258 HydrophobicContact CG-CD2 4.11Å; M203-W258 HydrophobicContact CG-CE3 4.41Å; M203-W258 HydrophobicContact CG-CG 4.49Å; M203-W258 HydrophobicContact CG-CZ2 4.37Å
204	S	98.2	Very high	98	Very high	48 Å²	48	45.1 Å²	45.1	34%	0.336	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	148.2	170	60	0	0	0	0	110.4	F192 R193	F192-S204 CarbonylContact C-O 3.57Å; F192-S204 WeakPolarHBondContact CA-O 3.27Å; R193-S204 PolarHBondContact N-O 3.27Å; R193-S204 PolarHBondContact O-N 3.07Å
205	C	98.1	Very high	97.9	Very high	15 Å²	15	45.1 Å²	45.1	10%	0.101	25%	0.25	C	S	.	.			trans	-150.9	158.4	172.8	77.2	0	0	0	0	110.9	Y189 F192 M203 R231	Y189-C205 HydrophobicContact CD1-CB 4.49Å; Y189-C205 HydrophobicContact CG-CB 4.42Å; F192-C205 HydrophobicContact CD2-CB 4.12Å; M203-C205 HydrophobicContact SD-CB 4.26Å; C205-R231 WeakPolarHBondContact O-CD 3.48Å; C205-R231 VanDerWaalsContact SG-CD 3.51Å; C205-R231 WeakPolarHBondContact SG-CG 3.21Å
206	G	97.3	Very high	97.8	Very high	11 Å²	11	44.2 Å²	44.2	11%	0.113	24%	0.242	C	C	.	.			trans	-95.3	-137.1	-179	0	0	0	0	0	112.7	T190	T190-G206 WeakPolarHBondContact O-CA 3.46Å; T190-G206 PolarHBondContact O-N 2.87Å
207	E	97	Very high	97.6	Very high	129 Å²	129	44.4 Å²	44.4	60%	0.603	24%	0.243	S	C	*	.			trans	-69.1	140.6	-175.9	-70.5	158.5	-140.6	0	0	112.6	Y189 T190 R191	Y189-E207 WeakPolarHBondContact CA-O 3.47Å; T190-E207 PolarHBondContact N-O 3.35Å; T190-E207 VanDerWaalsContact N-O 3.08Å; T190-E207 PolarHBondContact OG1-N 3.38Å; R191-E207 IonicContact NH2-OE1 3.25Å
208	Y	97.9	Very high	97.2	Very high	67 Å²	67	40.3 Å²	40.3	26%	0.263	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	143.5	175.2	167.5	-99.9	0	0	0	111.9	A187 Q188 Y189 G210 G213 D214	A187-Y208 HydrophobicContact CB-CD2 4.46Å; A187-Y208 HydrophobicContact CB-CE2 3.78Å; Q188-Y208 CarbonylContact O-C 3.59Å; Q188-Y208 WeakPolarHBondContact O-CA 3.4Å; Y189-Y208 HydrophobicContact CD1-CD2 4.4Å; Y189-Y208 AromaticContact CE1-CD2 3.67Å; Y189-Y208 HydrophobicContact CE1-CD2 3.67Å; Y189-Y208 HydrophobicContact CE1-CG 4.2Å; Y189-Y208 HydrophobicContact CE2-CD2 4.16Å; Y189-Y208 AromaticContact CZ-CD2 3.53Å; Y208-G210 PolarHBondContact OH-O 2.92Å; Y208-G213 WeakPolarHBondContact CE2-O 3.35Å; Y208-G213 VanDerWaalsContact CZ-C 3.46Å; Y208-G213 VanDerWaalsContact OH-C 3.24Å; Y208-G213 WeakPolarHBondContact OH-CA 3.43Å; Y208-G213 PolarHBondContact OH-N 3.31Å; Y208-G213 PolarHBondContact OH-O 2.92Å; Y208-D214 HydrophobicContact CD1-CB 3.82Å; Y208-D214 HydrophobicContact CD2-CB 3.85Å; Y208-D214 HydrophobicContact CE1-CB 4.15Å; Y208-D214 HydrophobicContact CE2-CB 4.14Å; Y208-D214 HydrophobicContact CG-CB 3.66Å
209	S	97.8	Very high	96.5	Very high	60 Å²	60	36 Å²	36	42%	0.42	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156.8	159	60.5	0	0	0	0	110.4	Q188	Q188-S209 PolarHBondContact N-O 3.39Å; Q188-S209 PolarHBondContact O-N 3.47Å
210	G	97.4	Very high	96	Very high	33 Å²	33	34.3 Å²	34.3	34%	0.34	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	142.8	-169	175.3	0	0	0	0	0	113.6	F186 Y208	F186-G210 CarbonylContact O-C 3.51Å; F186-G210 WeakPolarHBondContact O-CA 3.45Å; Y208-G210 PolarHBondContact OH-O 2.92Å
211	T	98.1	Very high	95.5	Very high	75 Å²	75	36.8 Å²	36.8	46%	0.46	22%	0.218	S	C	.	.	S	Bend	trans	-111.5	-12.7	-177.4	58	0	0	0	0	113.1	R185 F186 G213	R185-T211 WeakPolarHBondContact CA-OG1 3.48Å; R185-T211 WeakPolarHBondContact CD-O 3.45Å; R185-T211 PolarHBondContact NH1-O 3.27Å; F186-T211 HydrophobicContact CE1-CG2 4.04Å; F186-T211 PolarHBondContact N-OG1 3.04Å; F186-T211 PolarHBondContact O-N 3.22Å; T211-G213 VanDerWaalsContact C-N 3.3Å; T211-G213 PolarHBondContact O-N 3.14Å
212	A	97.6	Very high	95	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-77.5	-10.9	-176.3	0	0	0	0	0	114.5	L177 R185 F186 A187 W286 T288	L177-A212 HydrophobicContact CD1-CB 3.78Å; R185-A212 HydrophobicContact CB-CB 3.85Å; F186-A212 WeakPolarHBondContact O-CB 3.21Å; F186-A212 PolarHBondContact O-N 3.02Å; A187-A212 HydrophobicContact CB-CB 4.26Å; A212-W286 HydrophobicContact CB-CZ2 4.48Å; A212-W286 PolarHBondContact O-NE1 2.93Å; A212-T288 PolarHBondContact O-OG1 3.15Å
213	G	97.2	Very high	94.6	Very high	23 Å²	23	44.8 Å²	44.8	24%	0.237	27%	0.265	C	S	.	.			trans	75.2	161.9	-161.7	0	0	0	0	0	112.3	Y208 T211 S215 W286 T288	Y208-G213 WeakPolarHBondContact CE2-O 3.35Å; Y208-G213 VanDerWaalsContact CZ-C 3.46Å; Y208-G213 VanDerWaalsContact OH-C 3.24Å; Y208-G213 WeakPolarHBondContact OH-CA 3.43Å; Y208-G213 PolarHBondContact OH-N 3.31Å; Y208-G213 PolarHBondContact OH-O 2.92Å; T211-G213 VanDerWaalsContact C-N 3.3Å; T211-G213 PolarHBondContact O-N 3.14Å; G213-S215 PolarHBondContact O-N 3.38Å; G213-W286 VanDerWaalsContact O-CZ2 3.27Å; G213-W286 WeakPolarHBondContact O-CZ2 3.48Å; G213-W286 PolarHBondContact O-NE1 2.96Å; G213-W286 VanDerWaalsContact O-NE1 3.15Å; G213-T288 WeakPolarHBondContact CA-OG1 3.27Å; G213-T288 PolarHBondContact O-OG1 3.25Å
214	D	96.9	Very high	94.1	Very high	24 Å²	24	45.3 Å²	45.3	13%	0.128	27%	0.269	C	S	.	.			trans	-94.5	77.6	-175.2	-174.3	4.3	0	0	0	112.8	Y189 Y208 L216 T217 F220	Y189-D214 WeakPolarHBondContact CE1-OD1 3.44Å; Y189-D214 PolarHBondContact OH-OD1 3.24Å; Y208-D214 HydrophobicContact CD1-CB 3.82Å; Y208-D214 HydrophobicContact CD2-CB 3.85Å; Y208-D214 HydrophobicContact CE1-CB 4.15Å; Y208-D214 HydrophobicContact CE2-CB 4.14Å; Y208-D214 HydrophobicContact CG-CB 3.66Å; D214-L216 PolarHBondContact OD1-N 3.11Å; D214-T217 VanDerWaalsContact CG-OG1 3.26Å; D214-T217 WeakPolarHBondContact OD1-CG2 3.22Å; D214-T217 PolarHBondContact OD1-N 3.4Å; D214-T217 VanDerWaalsContact OD1-N 3.07Å; D214-T217 WeakPolarHBondContact OD2-CB 3.41Å; D214-T217 WeakPolarHBondContact OD2-CG2 3.15Å; D214-T217 PolarHBondContact OD2-OG1 2.82Å; D214-F220 WeakPolarHBondContact O-CD1 3.35Å
215	S	97.1	Very high	93.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.267	C	S	.	.			trans	-78.5	-21.1	174.5	-74.6	0	0	0	0	114.6	G213 S264 Y287 T288	G213-S215 PolarHBondContact O-N 3.38Å; S215-S264 WeakPolarHBondContact CB-O 3.45Å; S215-S264 PolarHBondContact O-OG 3.11Å; S215-S264 PolarHBondContact OG-O 3.18Å; S215-Y287 PolarHBondContact OG-N 3.43Å; S215-Y287 VanDerWaalsContact OG-N 3.07Å; S215-T288 PolarHBondContact OG-N 2.95Å; S215-T288 PolarHBondContact OG-OG1 3.03Å
216	L	96.3	Very high	93.7	Very high	1 Å²	1	53 Å²	53	1%	0.005	29%	0.29	C	S	.	.	S	Bend	trans	-71.3	-34.2	179.2	-80.4	180	0	0	0	112.7	L173 I175 Y189 M203 D214 H230 W257 A265 W286	L173-L216 HydrophobicContact CD2-CD1 3.92Å; I175-L216 HydrophobicContact CD1-CD1 3.68Å; I175-L216 HydrophobicContact CD1-CG 4.37Å; Y189-L216 HydrophobicContact CD2-CD1 3.92Å; Y189-L216 HydrophobicContact CE1-CB 4.07Å; Y189-L216 HydrophobicContact CE2-CB 4.2Å; Y189-L216 HydrophobicContact CE2-CD1 3.58Å; Y189-L216 HydrophobicContact CE2-CG 4.17Å; Y189-L216 PolarHBondContact OH-N 3.03Å; M203-L216 HydrophobicContact CE-CD2 4.49Å; D214-L216 PolarHBondContact OD1-N 3.11Å; L216-H230 HydrophobicContact CD2-CB 4.22Å; L216-H230 VanDerWaalsContact O-CB 3.26Å; L216-H230 WeakPolarHBondContact O-CB 3.09Å; L216-H230 PolarHBondContact O-CD2 3.08Å; L216-H230 VanDerWaalsContact O-CD2 3.24Å; L216-H230 PolarHBondContact O-N 3.37Å; L216-W257 HydrophobicContact CD2-CZ2 3.99Å; L216-A265 HydrophobicContact CD2-CB 4.42Å; L216-W286 HydrophobicContact CB-CH2 4.45Å; L216-W286 HydrophobicContact CD1-CH2 4.42Å; L216-W286 HydrophobicContact CD2-CZ3 4.45Å; L216-W286 HydrophobicContact CG-CH2 3.82Å; L216-W286 HydrophobicContact CG-CZ3 3.92Å
217	T	95.2	Very high	93.6	Very high	6 Å²	6	55.1 Å²	55.1	4%	0.037	30%	0.295	C	S	.	.	S	Bend	trans	-98.1	-3.9	-177.3	87.3	0	0	0	0	114.5	Y189 D214 G219 K225 D229 R231	Y189-T217 HydrophobicContact CD1-CG2 4.43Å; Y189-T217 HydrophobicContact CE1-CG2 3.91Å; D214-T217 VanDerWaalsContact CG-OG1 3.26Å; D214-T217 WeakPolarHBondContact OD1-CG2 3.22Å; D214-T217 PolarHBondContact OD1-N 3.4Å; D214-T217 VanDerWaalsContact OD1-N 3.07Å; D214-T217 WeakPolarHBondContact OD2-CB 3.41Å; D214-T217 WeakPolarHBondContact OD2-CG2 3.15Å; D214-T217 PolarHBondContact OD2-OG1 2.82Å; T217-G219 PolarHBondContact O-N 2.91Å; T217-G219 PolarHBondContact OG1-N 3.33Å; T217-K225 PolarHBondContact O-NZ 2.77Å; T217-D229 VanDerWaalsContact CA-OD1 3.31Å; T217-D229 WeakPolarHBondContact CA-OD1 3.26Å; T217-D229 WeakPolarHBondContact O-CB 3.29Å; T217-D229 VanDerWaalsContact O-OD2 3.14Å; T217-R231 VanDerWaalsContact CG2-CD 3.42Å; T217-R231 HydrophobicContact CG2-CG 3.99Å; T217-R231 VanDerWaalsContact CG2-NE 3.33Å
218	G	87.8	Confident	93.5	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.			trans	59.2	13.2	-171.6	0	0	0	0	0	113.7	F220 H221	G218-F220 PolarHBondContact O-N 2.94Å; G218-H221 PolarHBondContact O-N 3.22Å
219	G	84.8	Confident	93.5	Very high	47 Å²	47	46.6 Å²	46.6	49%	0.485	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-8.8	-169.6	0	0	0	0	0	115.2	T217	T217-G219 PolarHBondContact O-N 2.91Å; T217-G219 PolarHBondContact OG1-N 3.33Å
220	F	86.9	Confident	93.5	Very high	74 Å²	74	43.8 Å²	43.8	33%	0.325	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-19.6	177.1	58	-90.2	0	0	0	113.7	D214 G218 V224 Y287 T288	D214-F220 WeakPolarHBondContact O-CD1 3.35Å; G218-F220 PolarHBondContact O-N 2.94Å; F220-V224 HydrophobicContact CE1-CG1 4.42Å; F220-V224 HydrophobicContact CE2-CB 4Å; F220-V224 HydrophobicContact CE2-CG1 3.91Å; F220-V224 HydrophobicContact CE2-CG2 4.01Å; F220-V224 HydrophobicContact CZ-CB 4.11Å; F220-V224 HydrophobicContact CZ-CG1 3.53Å; F220-V224 HydrophobicContact CZ-CG2 4.48Å; F220-Y287 HydrophobicContact CD2-CD1 4.25Å; F220-Y287 HydrophobicContact CD2-CE1 4.07Å; F220-Y287 HydrophobicContact CE1-CD1 4.14Å; F220-Y287 AromaticContact CE2-CD1 3.33Å; F220-Y287 HydrophobicContact CE2-CD1 3.33Å; F220-Y287 AromaticContact CE2-CE1 3.25Å; F220-Y287 HydrophobicContact CE2-CE1 3.25Å; F220-Y287 AromaticContact CZ-CD1 3.24Å; F220-Y287 HydrophobicContact CZ-CD1 3.24Å; F220-Y287 AromaticContact CZ-CE1 3.7Å; F220-Y287 HydrophobicContact CZ-CE1 3.7Å; F220-Y287 HydrophobicContact CZ-CG 4.14Å; F220-T288 HydrophobicContact CB-CG2 4.1Å; F220-T288 HydrophobicContact CD1-CG2 3.1Å; F220-T288 HydrophobicContact CD2-CG2 4.18Å; F220-T288 HydrophobicContact CE1-CG2 3.41Å; F220-T288 VanDerWaalsContact CE1-CG2 3.41Å; F220-T288 HydrophobicContact CE2-CG2 4.44Å; F220-T288 HydrophobicContact CG-CG2 3.53Å; F220-T288 HydrophobicContact CZ-CG2 4.08Å
221	H	88.1	Confident	93.5	Very high	81 Å²	81	46.3 Å²	46.3	38%	0.375	24%	0.237	S	C	.	.			trans	-149.3	123.7	178.6	-164.2	-91.3	0	0	0	111.7	G218 E223 V224 K225	G218-H221 PolarHBondContact O-N 3.22Å; H221-E223 VanDerWaalsContact C-N 3.29Å; H221-E223 IonicContact CE1-OE2 2.76Å; H221-E223 WeakPolarHBondContact ND1-CB 3.34Å; H221-E223 PolarHBondContact ND1-N 2.85Å; H221-E223 PolarHBondContact O-N 2.97Å; H221-V224 HydrophobicContact CB-CB 4.03Å; H221-V224 HydrophobicContact CB-CG2 3.83Å; H221-V224 PolarHBondContact O-N 3.36Å; H221-K225 PolarHBondContact O-N 3.25Å
222	P	88.6	Confident	93.5	Very high	108 Å²	108	44.1 Å²	44.1	70%	0.701	23%	0.23	S	C	*	.	H	α-helix	trans	-56.4	-39.7	-177	-26.7	34.5	0	0	0	113.9	V224 K225	P222-V224 VanDerWaalsContact C-N 3.27Å; P222-V224 PolarHBondContact O-N 3.27Å; P222-K225 PolarHBondContact O-N 2.85Å
223	E	89.3	Confident	93.5	Very high	138 Å²	138	45.7 Å²	45.7	65%	0.645	24%	0.238	S	C	*	.	H	α-helix	trans	-72.2	-21	178	-55.7	-178.7	164.9	0	0	112.7	H221 W226 W227	H221-E223 VanDerWaalsContact C-N 3.29Å; H221-E223 IonicContact CE1-OE2 2.76Å; H221-E223 WeakPolarHBondContact ND1-CB 3.34Å; H221-E223 PolarHBondContact ND1-N 2.85Å; H221-E223 PolarHBondContact O-N 2.97Å; E223-W226 PolarHBondContact O-NE1 2.9Å; E223-W227 PolarHBondContact O-NE1 2.83Å
224	V	89.4	Confident	93.6	Very high	11 Å²	11	48.8 Å²	48.8	7%	0.067	25%	0.245	C	C	.	.	H	α-helix	trans	-84.2	-37.8	175.8	178.4	0	0	0	0	110.4	F220 H221 P222 W226 W227 A228	F220-V224 HydrophobicContact CE1-CG1 4.42Å; F220-V224 HydrophobicContact CE2-CB 4Å; F220-V224 HydrophobicContact CE2-CG1 3.91Å; F220-V224 HydrophobicContact CE2-CG2 4.01Å; F220-V224 HydrophobicContact CZ-CB 4.11Å; F220-V224 HydrophobicContact CZ-CG1 3.53Å; F220-V224 HydrophobicContact CZ-CG2 4.48Å; H221-V224 HydrophobicContact CB-CB 4.03Å; H221-V224 HydrophobicContact CB-CG2 3.83Å; H221-V224 PolarHBondContact O-N 3.36Å; P222-V224 VanDerWaalsContact C-N 3.27Å; P222-V224 PolarHBondContact O-N 3.27Å; V224-W226 VanDerWaalsContact C-N 3.28Å; V224-W226 PolarHBondContact O-N 2.96Å; V224-W227 HydrophobicContact CG1-CZ2 4.11Å; V224-W227 HydrophobicContact CG2-CZ2 4.31Å; V224-W227 PolarHBondContact O-N 3.05Å; V224-A228 HydrophobicContact CG1-CB 3.54Å; V224-A228 WeakPolarHBondContact O-CB 3.31Å; V224-A228 PolarHBondContact O-N 3.01Å
225	K	93.3	Very high	93.7	Very high	68 Å²	68	47.6 Å²	47.6	30%	0.296	24%	0.238	S	C	.	.	H	α-helix	trans	-51.8	-42.7	-179.3	-169.7	171.6	-166.1	64.8	0	113.6	T217 H221 P222 W227 D229	T217-K225 PolarHBondContact O-NZ 2.77Å; H221-K225 PolarHBondContact O-N 3.25Å; P222-K225 PolarHBondContact O-N 2.85Å; K225-W227 VanDerWaalsContact C-N 3.31Å; K225-W227 PolarHBondContact O-N 2.85Å; K225-D229 WeakPolarHBondContact CE-OD2 3.33Å; K225-D229 HydrophobicContact CG-CB 4.07Å; K225-D229 IonicContact NZ-OD2 2.75Å; K225-D229 PolarHBondContact NZ-OD2 3.09Å; K225-D229 WeakPolarHBondContact O-CB 3.31Å; K225-D229 PolarHBondContact O-N 3.24Å; K225-D229 VanDerWaalsContact O-N 3.11Å
226	W	94.3	Very high	93.8	Very high	158 Å²	158	47.6 Å²	47.6	60%	0.598	24%	0.238	S	C	*	.	H	α-helix	trans	-65	-34	-173.8	79.2	-99.7	0	0	0	113.4	E223 V224 N260	E223-W226 PolarHBondContact O-NE1 2.9Å; V224-W226 VanDerWaalsContact C-N 3.28Å; V224-W226 PolarHBondContact O-N 2.96Å; W226-N260 PolarHBondContact O-ND2 3.46Å
227	W	94.7	Very high	93.9	Very high	54 Å²	54	47.6 Å²	47.6	21%	0.205	24%	0.238	C	C	.	.	H	α-helix	trans	-107.5	-13.8	-176.5	63.1	-92.4	0	0	0	114	E223 V224 K225 N260 R261 H263 W292	E223-W227 PolarHBondContact O-NE1 2.83Å; V224-W227 HydrophobicContact CG1-CZ2 4.11Å; V224-W227 HydrophobicContact CG2-CZ2 4.31Å; V224-W227 PolarHBondContact O-N 3.05Å; K225-W227 VanDerWaalsContact C-N 3.31Å; K225-W227 PolarHBondContact O-N 2.85Å; W227-N260 WeakPolarHBondContact O-CB 3.4Å; W227-N260 VanDerWaalsContact O-CG 3.23Å; W227-N260 PolarHBondContact O-ND2 2.97Å; W227-R261 HydrophobicContact CB-CB 3.84Å; W227-R261 CarbonylContact O-C 3.25Å; W227-R261 WeakPolarHBondContact O-CA 3.34Å; W227-R261 PolarHBondContact O-N 2.92Å; W227-H263 VanDerWaalsContact CZ3-O 3.23Å; W227-H263 WeakPolarHBondContact CZ3-O 3.38Å; W227-W292 AromaticContact CH2-CE2 3.97Å; W227-W292 AromaticContact CH2-CH2 3.79Å; W227-W292 HydrophobicContact CH2-CH2 3.79Å; W227-W292 AromaticContact CH2-CZ2 3.26Å; W227-W292 HydrophobicContact CH2-CZ2 3.26Å; W227-W292 AromaticContact CZ2-CH2 3.85Å; W227-W292 HydrophobicContact CZ2-CH2 3.85Å; W227-W292 AromaticContact CZ2-CZ2 3.72Å; W227-W292 HydrophobicContact CZ2-CZ2 3.72Å; W227-W292 HydrophobicContact CZ3-CZ2 4.34Å
228	A	95.4	Very high	94.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-125	-2.1	-172.1	0	0	0	0	0	114.3	V224 H230 S264	V224-A228 HydrophobicContact CG1-CB 3.54Å; V224-A228 WeakPolarHBondContact O-CB 3.31Å; V224-A228 PolarHBondContact O-N 3.01Å; A228-H230 PolarHBondContact O-CD2 3.11Å; A228-H230 PolarHBondContact O-N 3.22Å; A228-H230 PolarHBondContact O-NE2 3.36Å; A228-S264 WeakPolarHBondContact CB-OG 3.36Å; A228-S264 PolarHBondContact O-OG 3.33Å; A228-S264 VanDerWaalsContact O-OG 3.11Å
229	D	97.3	Very high	94.6	Very high	18 Å²	18	57.4 Å²	57.4	10%	0.096	28%	0.282	C	S	.	.			trans	-67.4	120.2	171.3	-167.2	-16.1	0	0	0	108.5	T217 K225 R231 M233 N260	T217-D229 VanDerWaalsContact CA-OD1 3.31Å; T217-D229 WeakPolarHBondContact CA-OD1 3.26Å; T217-D229 WeakPolarHBondContact O-CB 3.29Å; T217-D229 VanDerWaalsContact O-OD2 3.14Å; K225-D229 WeakPolarHBondContact CE-OD2 3.33Å; K225-D229 HydrophobicContact CG-CB 4.07Å; K225-D229 IonicContact NZ-OD2 2.75Å; K225-D229 PolarHBondContact NZ-OD2 3.09Å; K225-D229 WeakPolarHBondContact O-CB 3.31Å; K225-D229 PolarHBondContact O-N 3.24Å; K225-D229 VanDerWaalsContact O-N 3.11Å; D229-R231 VanDerWaalsContact OD1-CB 3.26Å; D229-R231 WeakPolarHBondContact OD1-CB 3.34Å; D229-R231 WeakPolarHBondContact OD1-CG 3.26Å; D229-R231 IonicContact OD1-CZ 2.85Å; D229-R231 PolarHBondContact OD1-N 2.9Å; D229-R231 IonicContact OD1-NE 3.73Å; D229-R231 PolarHBondContact OD1-NE 3.02Å; D229-R231 VanDerWaalsContact OD1-NE 3.09Å; D229-R231 IonicContact OD1-NH2 2.76Å; D229-R231 IonicContact OD2-CZ 3.25Å; D229-R231 IonicContact OD2-NE 3.61Å; D229-R231 PolarHBondContact OD2-NE 3.36Å; D229-R231 IonicContact OD2-NH2 2.73Å; D229-R231 PolarHBondContact OD2-NH2 2.85Å; D229-M233 WeakPolarHBondContact O-CG 3.4Å; D229-N260 PolarHBondContact O-ND2 3.37Å; D229-N260 VanDerWaalsContact O-ND2 3.17Å
230	H	98.1	Very high	95.2	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.273	C	S	.	.			trans	-85.2	-11.6	-179.3	-63.8	-84.8	0	0	0	112.2	M203 L216 A228 M233 W257 W258 H263 S264 A265	M203-H230 HydrophobicContact CE-CB 3.6Å; M203-H230 VanDerWaalsContact CE-O 3.27Å; M203-H230 WeakPolarHBondContact CE-O 3.31Å; L216-H230 HydrophobicContact CD2-CB 4.22Å; L216-H230 VanDerWaalsContact O-CB 3.26Å; L216-H230 WeakPolarHBondContact O-CB 3.09Å; L216-H230 PolarHBondContact O-CD2 3.08Å; L216-H230 VanDerWaalsContact O-CD2 3.24Å; L216-H230 PolarHBondContact O-N 3.37Å; A228-H230 PolarHBondContact O-CD2 3.11Å; A228-H230 PolarHBondContact O-N 3.22Å; A228-H230 PolarHBondContact O-NE2 3.36Å; H230-M233 WeakPolarHBondContact O-CB 3.06Å; H230-M233 PolarHBondContact O-N 2.75Å; H230-W257 AromaticContact CE1-CD1 3.57Å; H230-W257 AromaticContact CE1-NE1 3.3Å; H230-W257 PolarHBondContact CE1-NE1 3.21Å; H230-W257 VanDerWaalsContact CE1-NE1 3.3Å; H230-W257 AromaticContact ND1-CD1 3.64Å; H230-W257 AromaticContact ND1-NE1 3.36Å; H230-W257 PolarHBondContact ND1-NE1 3.37Å; H230-W258 PolarHBondContact ND1-O 3.21Å; H230-H263 WeakPolarHBondContact CE1-CB 3.28Å; H230-S264 PolarHBondContact NE2-N 3.09Å; H230-A265 PolarHBondContact CE1-O 2.75Å; H230-A265 PolarHBondContact NE2-N 3.42Å; H230-A265 PolarHBondContact NE2-O 3.23Å
231	R	97.4	Very high	95.8	Very high	86 Å²	86	58.6 Å²	58.6	33%	0.325	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	133.9	179.9	-63.6	178.2	-62.4	160.4	14.9	110.9	C205 T217 D229 M233	C205-R231 WeakPolarHBondContact O-CD 3.48Å; C205-R231 VanDerWaalsContact SG-CD 3.51Å; C205-R231 WeakPolarHBondContact SG-CG 3.21Å; T217-R231 VanDerWaalsContact CG2-CD 3.42Å; T217-R231 HydrophobicContact CG2-CG 3.99Å; T217-R231 VanDerWaalsContact CG2-NE 3.33Å; D229-R231 VanDerWaalsContact OD1-CB 3.26Å; D229-R231 WeakPolarHBondContact OD1-CB 3.34Å; D229-R231 WeakPolarHBondContact OD1-CG 3.26Å; D229-R231 IonicContact OD1-CZ 2.85Å; D229-R231 PolarHBondContact OD1-N 2.9Å; D229-R231 IonicContact OD1-NE 3.73Å; D229-R231 PolarHBondContact OD1-NE 3.02Å; D229-R231 VanDerWaalsContact OD1-NE 3.09Å; D229-R231 IonicContact OD1-NH2 2.76Å; D229-R231 IonicContact OD2-CZ 3.25Å; D229-R231 IonicContact OD2-NE 3.61Å; D229-R231 PolarHBondContact OD2-NE 3.36Å; D229-R231 IonicContact OD2-NH2 2.73Å; D229-R231 PolarHBondContact OD2-NH2 2.85Å; R231-M233 PolarHBondContact O-N 3.04Å
232	G	97.9	Very high	96.3	Very high	30 Å²	30	56.5 Å²	56.5	31%	0.309	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	5.4	-174.5	0	0	0	0	0	113.2	E202 M203	E202-G232 WeakPolarHBondContact CG-O 3.33Å; M203-G232 WeakPolarHBondContact O-CA 3.27Å; M203-G232 PolarHBondContact O-N 3.5Å
233	M	98.6	Very high	96.8	Very high	32 Å²	32	52.2 Å²	52.2	16%	0.158	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-82.8	140.8	176.7	-61.5	-60.8	93.9	0	0	110.3	E202 M203 D229 H230 R231 N244 W258 N260	E202-M233 WeakPolarHBondContact CA-O 3.45Å; M203-M233 PolarHBondContact N-O 3.19Å; D229-M233 WeakPolarHBondContact O-CG 3.4Å; H230-M233 WeakPolarHBondContact O-CB 3.06Å; H230-M233 PolarHBondContact O-N 2.75Å; R231-M233 PolarHBondContact O-N 3.04Å; M233-N244 PolarHBondContact SD-ND2 3.12Å; M233-W258 HydrophobicContact CB-CB 4.11Å; M233-W258 VanDerWaalsContact O-CD1 3.29Å; M233-N260 HydrophobicContact CG-CB 3.87Å; M233-N260 HydrophobicContact SD-CB 3.56Å; M233-N260 VanDerWaalsContact SD-CB 3.56Å; M233-N260 VanDerWaalsContact SD-CG 3.53Å
234	K	98.8	Very high	97.2	Very high	88 Å²	88	49.6 Å²	49.6	38%	0.383	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-76	155.5	172.9	-65.3	161.6	175.3	178.8	0	109.2	L200 N242 W258	L200-K234 HydrophobicContact CB-CB 4.03Å; L200-K234 HydrophobicContact CB-CD 4.28Å; L200-K234 HydrophobicContact CB-CG 4.03Å; L200-K234 HydrophobicContact CD1-CD 3.65Å; L200-K234 HydrophobicContact CD1-CG 4.32Å; K234-N242 HydrophobicContact CB-CB 3.72Å; K234-N242 HydrophobicContact CD-CB 4.16Å; K234-W258 WeakPolarHBondContact O-CA 3.47Å
235	F	98.9	Very high	97.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-73.8	141.8	174.2	-155.8	-97	0	0	0	109.4	W138 Y141 W156 N159 L200 T237 N242 G256 W258	W138-F235 HydrophobicContact CE3-CD1 4.5Å; W138-F235 HydrophobicContact CH2-CB 4.32Å; W138-F235 HydrophobicContact CZ3-CB 4.11Å; W138-F235 HydrophobicContact CZ3-CD1 4.17Å; W138-F235 WeakPolarHBondContact CZ3-O 3.39Å; Y141-F235 AromaticContact CD1-CE1 3.63Å; Y141-F235 HydrophobicContact CD1-CE1 3.63Å; Y141-F235 AromaticContact CD1-CZ 3.42Å; Y141-F235 HydrophobicContact CD1-CZ 3.42Å; Y141-F235 VanDerWaalsContact CD1-CZ 3.42Å; Y141-F235 HydrophobicContact CD2-CE1 4.21Å; Y141-F235 HydrophobicContact CE1-CE1 4.3Å; Y141-F235 AromaticContact CE1-CZ 3.82Å; Y141-F235 HydrophobicContact CE1-CZ 3.82Å; Y141-F235 AromaticContact CG-CE1 3.58Å; Y141-F235 HydrophobicContact CG-CE1 3.58Å; Y141-F235 AromaticContact CG-CZ 3.9Å; Y141-F235 HydrophobicContact CG-CZ 3.9Å; W156-F235 HydrophobicContact CH2-CE2 4.36Å; W156-F235 HydrophobicContact CZ2-CE2 4.03Å; W156-F235 HydrophobicContact CZ2-CZ 4.22Å; N159-F235 VanDerWaalsContact ND2-CD1 3.27Å; N159-F235 WeakPolarHBondContact ND2-CD1 3.15Å; N159-F235 WeakPolarHBondContact ND2-CE1 3.41Å; L200-F235 PolarHBondContact O-N 2.8Å; F235-T237 HydrophobicContact CD1-CG2 4.18Å; F235-T237 HydrophobicContact CE1-CG2 3.89Å; F235-N242 PolarHBondContact O-ND2 3.09Å; F235-G256 WeakPolarHBondContact CZ-O 3.42Å; F235-W258 AromaticContact CD2-CD1 3.83Å; F235-W258 AromaticContact CD2-CD2 3.97Å; F235-W258 HydrophobicContact CD2-CD2 3.97Å; F235-W258 AromaticContact CD2-CE2 3.64Å; F235-W258 HydrophobicContact CD2-CG 4.09Å; F235-W258 HydrophobicContact CD2-CZ2 4.16Å; F235-W258 AromaticContact CD2-NE1 3.54Å; F235-W258 HydrophobicContact CE2-CD2 4.33Å; F235-W258 HydrophobicContact CE2-CZ2 4.34Å
236	S	98.8	Very high	97.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-128.6	145.5	175.2	-62.1	0	0	0	0	110.1	R240 N242 D243 G256 W257	S236-R240 WeakPolarHBondContact CA-O 3.34Å; S236-N242 VanDerWaalsContact OG-C 3.29Å; S236-N242 WeakPolarHBondContact OG-CA 3.47Å; S236-N242 PolarHBondContact OG-N 3.38Å; S236-D243 PolarHBondContact OG-N 3.3Å; S236-D243 VanDerWaalsContact OG-N 3.09Å; S236-G256 VanDerWaalsContact O-CA 3.23Å; S236-G256 WeakPolarHBondContact O-CA 3.47Å; S236-W257 PolarHBondContact N-O 3.21Å; S236-W257 PolarHBondContact O-N 3.11Å; S236-W257 VanDerWaalsContact O-N 3.15Å
237	T	98.9	Very high	97.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-131	165.1	169.1	57	0	0	0	0	109.1	W138 Y141 F235 D239 R240	W138-T237 WeakPolarHBondContact CA-OG1 3.21Å; W138-T237 HydrophobicContact CE3-CG2 4.26Å; W138-T237 PolarHBondContact N-OG1 3.18Å; Y141-T237 HydrophobicContact CD2-CG2 3.58Å; Y141-T237 HydrophobicContact CE2-CG2 4.31Å; Y141-T237 HydrophobicContact CG-CG2 4.12Å; F235-T237 HydrophobicContact CD1-CG2 4.18Å; F235-T237 HydrophobicContact CE1-CG2 3.89Å; T237-D239 WeakPolarHBondContact CB-OD1 3.44Å; T237-D239 PolarHBondContact O-N 2.88Å; T237-D239 PolarHBondContact OG1-OD1 2.81Å; T237-R240 PolarHBondContact N-O 2.81Å; T237-R240 CarbonylContact O-C 3.54Å; T237-R240 VanDerWaalsContact O-C 3.25Å; T237-R240 PolarHBondContact O-N 3.01Å
238	R	98.2	Very high	97.9	Very high	122 Å²	122	51.3 Å²	51.3	46%	0.46	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-24.5	-179.1	63.6	174.4	179.4	134.5	1.8	114.9	D135 N248 E251	D135-R238 WeakPolarHBondContact OD1-CD 3.32Å; D135-R238 IonicContact OD1-NE 3.26Å; R238-N248 PolarHBondContact O-ND2 3.17Å; R238-E251 HydrophobicContact CB-CB 4.19Å
239	D	98.6	Very high	98.1	Very high	91 Å²	91	51.3 Å²	51.3	49%	0.487	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-5.3	179.2	66.3	-47.3	0	0	0	114	V137 W138 T237	V137-D239 WeakPolarHBondContact CA-OD1 3.25Å; V137-D239 WeakPolarHBondContact CB-OD1 3.44Å; V137-D239 WeakPolarHBondContact CB-OD2 3.33Å; V137-D239 HydrophobicContact CG1-CB 4.32Å; W138-D239 PolarHBondContact N-OD1 2.91Å; W138-D239 PolarHBondContact N-OD2 2.87Å; T237-D239 WeakPolarHBondContact CB-OD1 3.44Å; T237-D239 PolarHBondContact O-N 2.88Å; T237-D239 PolarHBondContact OG1-OD1 2.81Å
240	R	98.5	Very high	98.1	Very high	79 Å²	79	50.5 Å²	50.5	30%	0.298	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-146.5	92.1	178.2	-167.4	172.3	175.4	175.6	-0.3	110	W138 E197 S236 T237	W138-R240 HydrophobicContact CB-CB 4.17Å; W138-R240 HydrophobicContact CD2-CB 4.32Å; W138-R240 VanDerWaalsContact CD2-CD 3.46Å; W138-R240 HydrophobicContact CD2-CG 4.38Å; W138-R240 HydrophobicContact CE3-CB 3.93Å; W138-R240 HydrophobicContact CE3-CG 4.08Å; W138-R240 HydrophobicContact CG-CB 4.43Å; W138-R240 HydrophobicContact CZ3-CG 4.41Å; E197-R240 IonicContact OE1-NH1 3.99Å; E197-R240 PolarHBondContact OE1-NH1 3.25Å; S236-R240 WeakPolarHBondContact CA-O 3.34Å; T237-R240 PolarHBondContact N-O 2.81Å; T237-R240 CarbonylContact O-C 3.54Å; T237-R240 VanDerWaalsContact O-C 3.25Å; T237-R240 PolarHBondContact O-N 3.01Å
241	D	98.7	Very high	98.1	Very high	67 Å²	67	55.4 Å²	55.4	36%	0.358	27%	0.267	S	S	.	.			trans	-81.9	122.4	179.6	-173.7	1	0	0	0	111.4	D243	D241-D243 PolarHBondContact OD1-N 3.38Å; D241-D243 VanDerWaalsContact OD1-OD2 3.13Å
242	N	98.6	Very high	98.2	Very high	37 Å²	37	54.4 Å²	54.4	20%	0.198	27%	0.266	C	S	.	.			trans	-133.8	18.4	173.6	-52.5	-71.7	0	0	0	111.6	K234 F235 S236	K234-N242 HydrophobicContact CB-CB 3.72Å; K234-N242 HydrophobicContact CD-CB 4.16Å; F235-N242 PolarHBondContact O-ND2 3.09Å; S236-N242 VanDerWaalsContact OG-C 3.29Å; S236-N242 WeakPolarHBondContact OG-CA 3.47Å; S236-N242 PolarHBondContact OG-N 3.38Å
243	D	98.4	Very high	98.2	Very high	18 Å²	18	53.2 Å²	53.2	10%	0.096	25%	0.253	C	S	.	.	S	Bend	trans	-83.6	179.8	178.7	72.3	56.4	0	0	0	111.1	S236 D241 Y245 C249 F259	S236-D243 PolarHBondContact OG-N 3.3Å; S236-D243 VanDerWaalsContact OG-N 3.09Å; D241-D243 PolarHBondContact OD1-N 3.38Å; D241-D243 VanDerWaalsContact OD1-OD2 3.13Å; D243-Y245 WeakPolarHBondContact OD1-CA 3.31Å; D243-Y245 VanDerWaalsContact OD1-CB 3.25Å; D243-Y245 WeakPolarHBondContact OD1-CB 3.38Å; D243-Y245 PolarHBondContact OD1-N 2.98Å; D243-C249 HydrophobicContact CB-CB 4.5Å; D243-C249 WeakPolarHBondContact OD2-CB 3.37Å; D243-C249 PolarHBondContact OD2-N 2.93Å; D243-F259 HydrophobicContact CB-CB 3.82Å
244	N	97.9	Very high	98.1	Very high	82 Å²	82	55 Å²	55	44%	0.439	26%	0.26	S	S	.	.	S	Bend	trans	-99.8	-0.9	-176.4	-70.6	-40.3	0	0	0	112.2	M233 N260 R261	M233-N244 PolarHBondContact SD-ND2 3.12Å; N244-N260 PolarHBondContact N-O 3.46Å; N244-N260 PolarHBondContact ND2-OD1 3.42Å; N244-R261 HydrophobicContact CB-CG 3.64Å; N244-R261 VanDerWaalsContact O-CZ 3.28Å; N244-R261 PolarHBondContact O-NE 3.23Å; N244-R261 PolarHBondContact O-NH2 3.19Å
245	Y	97.1	Very high	98.1	Very high	98 Å²	98	50.9 Å²	50.9	38%	0.384	24%	0.242	S	C	.	.	S	Bend	trans	-80.7	162.7	-177.2	-176.4	-132.1	0	0	0	110.9	D243 G247 N260	D243-Y245 WeakPolarHBondContact OD1-CA 3.31Å; D243-Y245 VanDerWaalsContact OD1-CB 3.25Å; D243-Y245 WeakPolarHBondContact OD1-CB 3.38Å; D243-Y245 PolarHBondContact OD1-N 2.98Å; Y245-G247 CarbonylContact C-O 3.57Å; Y245-N260 PolarHBondContact N-O 3.34Å
246	E	95.9	Very high	98.1	Very high	182 Å²	182	50.9 Å²	50.9	85%	0.85	24%	0.242	S	C	*	.	S	Bend	trans	-80.7	-27.2	177.5	-69.7	-175.4	-179	0	0	112.2
247	G	96.6	Very high	98.1	Very high	26 Å²	26	50.9 Å²	50.9	27%	0.268	24%	0.242	S	C	.	.	S	Bend	trans	-92.3	-165.2	165.5	0	0	0	0	0	110.7	Y245	Y245-G247 CarbonylContact C-O 3.57Å
248	N	98.1	Very high	98.1	Very high	22 Å²	22	50.9 Å²	50.9	12%	0.118	24%	0.242	C	C	.	.			trans	-111.9	105.5	-179.7	180	-20.1	0	0	0	109.6	R238 A250 E251 E252	R238-N248 PolarHBondContact O-ND2 3.17Å; N248-A250 VanDerWaalsContact C-N 3.28Å; N248-A250 PolarHBondContact O-N 3.34Å; N248-A250 WeakPolarHBondContact OD1-CA 3.45Å; N248-A250 WeakPolarHBondContact OD1-CB 3.47Å; N248-A250 PolarHBondContact OD1-N 3.12Å; N248-E251 HydrophobicContact CB-CB 3.94Å; N248-E251 PolarHBondContact O-N 3.18Å; N248-E251 PolarHBondContact OD1-N 2.59Å; N248-E252 PolarHBondContact O-N 2.87Å; N248-E252 VanDerWaalsContact O-N 3.07Å
249	C	98.4	Very high	98.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-40.3	179.9	-66.7	0	0	0	0	111.4	D243 E251 E252 E253 F259 C262	D243-C249 HydrophobicContact CB-CB 4.5Å; D243-C249 WeakPolarHBondContact OD2-CB 3.37Å; D243-C249 PolarHBondContact OD2-N 2.93Å; C249-E251 VanDerWaalsContact C-N 3.29Å; C249-E251 PolarHBondContact O-N 2.85Å; C249-E252 PolarHBondContact O-N 2.98Å; C249-E253 WeakPolarHBondContact O-CB 3.44Å; C249-E253 WeakPolarHBondContact O-CG 3.48Å; C249-E253 PolarHBondContact O-N 3.09Å; C249-F259 HydrophobicContact CB-CB 3.71Å; C249-F259 HydrophobicContact CB-CD1 3.94Å; C249-F259 HydrophobicContact CB-CD2 4.08Å; C249-F259 HydrophobicContact CB-CG 3.65Å; C249-C262 HydrophobicContact CB-CB 3.59Å; C249-C262 WeakPolarHBondContact CB-SG 3.23Å; C249-C262 WeakPolarHBondContact SG-CA 3.07Å; C249-C262 WeakPolarHBondContact SG-CB 3.43Å; C249-C262 CovalentContact SG-SG 2.03Å; C249-C262 PolarHBondContact SG-SG 2.87Å
250	A	98.5	Very high	98.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.2	-33.4	-179.6	0	0	0	0	0	112.9	N248 K254 A255 F259	N248-A250 VanDerWaalsContact C-N 3.28Å; N248-A250 PolarHBondContact O-N 3.34Å; N248-A250 WeakPolarHBondContact OD1-CA 3.45Å; N248-A250 WeakPolarHBondContact OD1-CB 3.47Å; N248-A250 PolarHBondContact OD1-N 3.12Å; A250-K254 PolarHBondContact O-N 2.82Å; A250-K254 VanDerWaalsContact O-N 3.12Å; A250-A255 WeakPolarHBondContact CA-O 3.48Å; A250-A255 VanDerWaalsContact CB-O 3.27Å; A250-A255 WeakPolarHBondContact CB-O 3.38Å; A250-A255 PolarHBondContact O-N 2.6Å; A250-F259 VanDerWaalsContact CA-CE2 3.47Å; A250-F259 HydrophobicContact CB-CD2 3.91Å; A250-F259 HydrophobicContact CB-CE2 3.73Å
251	E	98.1	Very high	98	Very high	104 Å²	104	41.8 Å²	41.8	49%	0.486	20%	0.201	S	C	.	.	H	α-helix	trans	-72.6	-41.1	174.4	-176.4	173.8	-166	0	0	112.5	R238 N248 C249 K254	R238-E251 HydrophobicContact CB-CB 4.19Å; N248-E251 HydrophobicContact CB-CB 3.94Å; N248-E251 PolarHBondContact O-N 3.18Å; N248-E251 PolarHBondContact OD1-N 2.59Å; C249-E251 VanDerWaalsContact C-N 3.29Å; C249-E251 PolarHBondContact O-N 2.85Å; E251-K254 VanDerWaalsContact O-CD 3.32Å; E251-K254 WeakPolarHBondContact O-CD 3.33Å; E251-K254 WeakPolarHBondContact O-CE 3.43Å; E251-K254 PolarHBondContact O-NZ 2.85Å
252	E	97.9	Very high	97.9	Very high	65 Å²	65	39.5 Å²	39.5	30%	0.304	19%	0.19	S	C	.	.	H	α-helix	trans	-70.4	-40.4	178.6	-70.7	-177.2	-159	0	0	112	N248 C249 T280	N248-E252 PolarHBondContact O-N 2.87Å; N248-E252 VanDerWaalsContact O-N 3.07Å; C249-E252 PolarHBondContact O-N 2.98Å; E252-T280 HydrophobicContact CB-CG2 4.38Å; E252-T280 PolarHBondContact O-OG1 2.74Å; E252-T280 VanDerWaalsContact O-OG1 3.06Å
253	E	97.8	Very high	97.9	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.019	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-3.6	-177	-61.4	-58.5	122.9	0	0	113.9	C249 A255 F259 H263 T280 D281 N282	C249-E253 WeakPolarHBondContact O-CB 3.44Å; C249-E253 WeakPolarHBondContact O-CG 3.48Å; C249-E253 PolarHBondContact O-N 3.09Å; E253-A255 VanDerWaalsContact C-N 3.26Å; E253-A255 PolarHBondContact O-N 3.46Å; E253-F259 HydrophobicContact CB-CE1 3.9Å; E253-F259 HydrophobicContact CB-CZ 3.65Å; E253-F259 HydrophobicContact CG-CE1 3.88Å; E253-F259 HydrophobicContact CG-CZ 4.13Å; E253-H263 VanDerWaalsContact CD-NE2 3.27Å; E253-H263 IonicContact OE1-NE2 3.77Å; E253-H263 IonicContact OE2-CD2 3.62Å; E253-H263 IonicContact OE2-CE1 3.04Å; E253-H263 IonicContact OE2-NE2 3.57Å; E253-H263 PolarHBondContact OE2-NE2 3.17Å; E253-T280 WeakPolarHBondContact OE1-CB 3.33Å; E253-D281 VanDerWaalsContact OE2-C 3.29Å; E253-N282 WeakPolarHBondContact OE2-CA 3.4Å; E253-N282 PolarHBondContact OE2-N 3.2Å
254	K	98	Very high	97.8	Very high	71 Å²	71	37 Å²	37	31%	0.309	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	43	176.7	-56.3	-61.8	174.6	-152.9	0	112.9	D135 A250 E251 L270	D135-K254 WeakPolarHBondContact CA-O 3.27Å; D135-K254 HydrophobicContact CB-CB 4.16Å; D135-K254 WeakPolarHBondContact CB-O 3.29Å; D135-K254 WeakPolarHBondContact OD2-CD 3.09Å; A250-K254 PolarHBondContact O-N 2.82Å; A250-K254 VanDerWaalsContact O-N 3.12Å; E251-K254 VanDerWaalsContact O-CD 3.32Å; E251-K254 WeakPolarHBondContact O-CD 3.33Å; E251-K254 WeakPolarHBondContact O-CE 3.43Å; E251-K254 PolarHBondContact O-NZ 2.85Å; K254-L270 HydrophobicContact CB-CD1 4.22Å; K254-L270 HydrophobicContact CB-CD2 3.92Å; K254-L270 HydrophobicContact CB-CG 4Å; K254-L270 HydrophobicContact CG-CD1 4.27Å
255	A	98.4	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-154.3	158.6	-176.6	0	0	0	0	0	111.5	A250 E253 F259 N268	A250-A255 WeakPolarHBondContact CA-O 3.48Å; A250-A255 VanDerWaalsContact CB-O 3.27Å; A250-A255 WeakPolarHBondContact CB-O 3.38Å; A250-A255 PolarHBondContact O-N 2.6Å; E253-A255 VanDerWaalsContact C-N 3.26Å; E253-A255 PolarHBondContact O-N 3.46Å; A255-F259 HydrophobicContact CB-CZ 4.32Å; A255-F259 WeakPolarHBondContact O-CE2 3.18Å; A255-N268 HydrophobicContact CB-CB 3.98Å; A255-N268 WeakPolarHBondContact CB-O 3.36Å
256	G	98.8	Very high	97.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.137	C	C	.	.			trans	-95.1	128.9	162.7	0	0	0	0	0	109.9	Y141 F235 S236 N268	Y141-G256 VanDerWaalsContact CE2-CA 3.43Å; Y141-G256 VanDerWaalsContact CE2-N 3.31Å; Y141-G256 VanDerWaalsContact CZ-CA 3.44Å; Y141-G256 VanDerWaalsContact CZ-N 3.26Å; Y141-G256 PolarHBondContact OH-N 3.47Å; F235-G256 WeakPolarHBondContact CZ-O 3.42Å; S236-G256 VanDerWaalsContact O-CA 3.23Å; S236-G256 WeakPolarHBondContact O-CA 3.47Å; G256-N268 WeakPolarHBondContact O-CB 3.41Å; G256-N268 PolarHBondContact O-ND2 3.16Å
257	W	98.8	Very high	98	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-160	170.5	-177.3	-160.8	-121.8	0	0	0	112	W156 L216 H230 S236 F259 A265 L267 N268 M301	W156-W257 HydrophobicContact CZ3-CZ3 4.38Å; L216-W257 HydrophobicContact CD2-CZ2 3.99Å; H230-W257 AromaticContact CE1-CD1 3.57Å; H230-W257 AromaticContact CE1-NE1 3.3Å; H230-W257 PolarHBondContact CE1-NE1 3.21Å; H230-W257 VanDerWaalsContact CE1-NE1 3.3Å; H230-W257 AromaticContact ND1-CD1 3.64Å; H230-W257 AromaticContact ND1-NE1 3.36Å; H230-W257 PolarHBondContact ND1-NE1 3.37Å; S236-W257 PolarHBondContact N-O 3.21Å; S236-W257 PolarHBondContact O-N 3.11Å; S236-W257 VanDerWaalsContact O-N 3.15Å; W257-F259 HydrophobicContact CB-CD1 4.17Å; W257-F259 HydrophobicContact CB-CD2 3.74Å; W257-F259 HydrophobicContact CB-CE1 3.86Å; W257-F259 HydrophobicContact CB-CE2 3.39Å; W257-F259 HydrophobicContact CB-CG 4.12Å; W257-F259 HydrophobicContact CB-CZ 3.46Å; W257-F259 VanDerWaalsContact CB-CZ 3.46Å; W257-F259 HydrophobicContact CG-CE1 4.36Å; W257-F259 HydrophobicContact CG-CZ 4.36Å; W257-F259 PolarHBondContact O-N 2.81Å; W257-A265 PolarHBondContact NE1-O 2.75Å; W257-L267 HydrophobicContact CH2-CB 3.74Å; W257-L267 HydrophobicContact CH2-CD1 4.01Å; W257-L267 HydrophobicContact CH2-CG 3.99Å; W257-L267 HydrophobicContact CZ2-CB 4.3Å; W257-L267 HydrophobicContact CZ2-CD1 4.42Å; W257-L267 HydrophobicContact CZ2-CG 4.2Å; W257-L267 HydrophobicContact CZ3-CB 4.16Å; W257-N268 HydrophobicContact CE3-CB 4.16Å; W257-M301 HydrophobicContact CH2-CE 3.74Å; W257-M301 HydrophobicContact CH2-SD 3.77Å; W257-M301 HydrophobicContact CZ3-CE 4.42Å; W257-M301 HydrophobicContact CZ3-SD 4.05Å
258	W	98.8	Very high	98.1	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	8%	0.084	C	C	.	.			trans	-80.1	66.4	168.9	-60	-75.8	0	0	0	110.4	W156 L162 F192 V194 Y201 M203 H230 M233 K234 F235	W156-W258 AromaticContact CH2-CH2 3.82Å; W156-W258 HydrophobicContact CH2-CH2 3.82Å; W156-W258 HydrophobicContact CH2-CZ3 4.18Å; W156-W258 HydrophobicContact CZ2-CH2 4.31Å; L162-W258 HydrophobicContact CD2-CH2 4.21Å; L162-W258 HydrophobicContact CD2-CZ2 4.41Å; F192-W258 HydrophobicContact CZ-CH2 4.28Å; V194-W258 HydrophobicContact CG2-CH2 4.42Å; V194-W258 HydrophobicContact CG2-CZ2 3.77Å; Y201-W258 PolarHBondContact O-NE1 3.06Å; M203-W258 HydrophobicContact CB-CB 4.48Å; M203-W258 VanDerWaalsContact CB-CD1 3.45Å; M203-W258 HydrophobicContact CB-CD2 3.59Å; M203-W258 VanDerWaalsContact CB-CE2 3.44Å; M203-W258 HydrophobicContact CB-CE3 4.37Å; M203-W258 HydrophobicContact CB-CG 3.61Å; M203-W258 HydrophobicContact CB-CZ2 4.08Å; M203-W258 VanDerWaalsContact CB-NE1 3.33Å; M203-W258 HydrophobicContact CE-CB 4.47Å; M203-W258 HydrophobicContact CE-CD2 4.47Å; M203-W258 HydrophobicContact CE-CE3 4.4Å; M203-W258 HydrophobicContact CG-CD2 4.11Å; M203-W258 HydrophobicContact CG-CE3 4.41Å; M203-W258 HydrophobicContact CG-CG 4.49Å; M203-W258 HydrophobicContact CG-CZ2 4.37Å; H230-W258 PolarHBondContact ND1-O 3.21Å; M233-W258 HydrophobicContact CB-CB 4.11Å; M233-W258 VanDerWaalsContact O-CD1 3.29Å; K234-W258 WeakPolarHBondContact O-CA 3.47Å; F235-W258 AromaticContact CD2-CD1 3.83Å; F235-W258 AromaticContact CD2-CD2 3.97Å; F235-W258 HydrophobicContact CD2-CD2 3.97Å; F235-W258 AromaticContact CD2-CE2 3.64Å; F235-W258 HydrophobicContact CD2-CG 4.09Å; F235-W258 HydrophobicContact CD2-CZ2 4.16Å; F235-W258 AromaticContact CD2-NE1 3.54Å; F235-W258 HydrophobicContact CE2-CD2 4.33Å; F235-W258 HydrophobicContact CE2-CZ2 4.34Å
259	F	98.6	Very high	98.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.079	C	C	.	.			trans	-70.7	149.6	-177.7	-67.9	-67.8	0	0	0	112.5	D243 C249 A250 E253 A255 W257 C262 H263	D243-F259 HydrophobicContact CB-CB 3.82Å; C249-F259 HydrophobicContact CB-CB 3.71Å; C249-F259 HydrophobicContact CB-CD1 3.94Å; C249-F259 HydrophobicContact CB-CD2 4.08Å; C249-F259 HydrophobicContact CB-CG 3.65Å; A250-F259 VanDerWaalsContact CA-CE2 3.47Å; A250-F259 HydrophobicContact CB-CD2 3.91Å; A250-F259 HydrophobicContact CB-CE2 3.73Å; E253-F259 HydrophobicContact CB-CE1 3.9Å; E253-F259 HydrophobicContact CB-CZ 3.65Å; E253-F259 HydrophobicContact CG-CE1 3.88Å; E253-F259 HydrophobicContact CG-CZ 4.13Å; A255-F259 HydrophobicContact CB-CZ 4.32Å; A255-F259 WeakPolarHBondContact O-CE2 3.18Å; W257-F259 HydrophobicContact CB-CD1 4.17Å; W257-F259 HydrophobicContact CB-CD2 3.74Å; W257-F259 HydrophobicContact CB-CE1 3.86Å; W257-F259 HydrophobicContact CB-CE2 3.39Å; W257-F259 HydrophobicContact CB-CG 4.12Å; W257-F259 HydrophobicContact CB-CZ 3.46Å; W257-F259 VanDerWaalsContact CB-CZ 3.46Å; W257-F259 HydrophobicContact CG-CE1 4.36Å; W257-F259 HydrophobicContact CG-CZ 4.36Å; W257-F259 PolarHBondContact O-N 2.81Å; F259-C262 HydrophobicContact CD1-CB 4.35Å; F259-H263 HydrophobicContact CD1-CB 4.1Å; F259-H263 HydrophobicContact CE1-CB 4.28Å; F259-H263 AromaticContact CE1-CD2 3.87Å
260	N	98.1	Very high	98.1	Very high	9 Å²	9	19.8 Å²	19.8	5%	0.048	9%	0.091	C	C	.	.	S	Bend	trans	-115	-92.1	170.3	-175	-6.2	0	0	0	109.6	W226 W227 D229 M233 N244 Y245 C262	W226-N260 PolarHBondContact O-ND2 3.46Å; W227-N260 WeakPolarHBondContact O-CB 3.4Å; W227-N260 VanDerWaalsContact O-CG 3.23Å; W227-N260 PolarHBondContact O-ND2 2.97Å; D229-N260 PolarHBondContact O-ND2 3.37Å; D229-N260 VanDerWaalsContact O-ND2 3.17Å; M233-N260 HydrophobicContact CG-CB 3.87Å; M233-N260 HydrophobicContact SD-CB 3.56Å; M233-N260 VanDerWaalsContact SD-CB 3.56Å; M233-N260 VanDerWaalsContact SD-CG 3.53Å; N244-N260 PolarHBondContact N-O 3.46Å; N244-N260 PolarHBondContact ND2-OD1 3.42Å; Y245-N260 PolarHBondContact N-O 3.34Å; N260-C262 PolarHBondContact N-O 3.24Å
261	R	97.3	Very high	98.1	Very high	91 Å²	91	22 Å²	22	34%	0.343	10%	0.1	S	C	.	.	S	Bend	trans	-144.9	53.7	178.1	-65.6	-177.1	135.3	-123.3	-14.7	114.7	W227 N244	W227-R261 HydrophobicContact CB-CB 3.84Å; W227-R261 CarbonylContact O-C 3.25Å; W227-R261 WeakPolarHBondContact O-CA 3.34Å; W227-R261 PolarHBondContact O-N 2.92Å; N244-R261 HydrophobicContact CB-CG 3.64Å; N244-R261 VanDerWaalsContact O-CZ 3.28Å; N244-R261 PolarHBondContact O-NE 3.23Å; N244-R261 PolarHBondContact O-NH2 3.19Å
262	C	96.3	Very high	98.1	Very high	19 Å²	19	20.3 Å²	20.3	13%	0.128	9%	0.09	C	C	.	.	S	Bend	cis	-108.3	-52.2	1.4	-71.2	0	0	0	0	111.6	C249 F259 N260	C249-C262 HydrophobicContact CB-CB 3.59Å; C249-C262 WeakPolarHBondContact CB-SG 3.23Å; C249-C262 WeakPolarHBondContact SG-CA 3.07Å; C249-C262 WeakPolarHBondContact SG-CB 3.43Å; C249-C262 CovalentContact SG-SG 2.03Å; C249-C262 PolarHBondContact SG-SG 2.87Å; F259-C262 HydrophobicContact CD1-CB 4.35Å; N260-C262 PolarHBondContact N-O 3.24Å
263	H	97.4	Very high	98.1	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.009	11%	0.11	C	C	.	.			trans	-158.7	159.9	-174.3	66.1	91	0	0	0	114.5	W227 H230 E253 F259 D281 W292	W227-H263 VanDerWaalsContact CZ3-O 3.23Å; W227-H263 WeakPolarHBondContact CZ3-O 3.38Å; H230-H263 WeakPolarHBondContact CE1-CB 3.28Å; E253-H263 VanDerWaalsContact CD-NE2 3.27Å; E253-H263 IonicContact OE1-NE2 3.77Å; E253-H263 IonicContact OE2-CD2 3.62Å; E253-H263 IonicContact OE2-CE1 3.04Å; E253-H263 IonicContact OE2-NE2 3.57Å; E253-H263 PolarHBondContact OE2-NE2 3.17Å; F259-H263 HydrophobicContact CD1-CB 4.1Å; F259-H263 HydrophobicContact CE1-CB 4.28Å; F259-H263 AromaticContact CE1-CD2 3.87Å; H263-D281 IonicContact CE1-OD2 3.84Å; H263-D281 PolarHBondContact CE1-OD2 2.79Å; H263-D281 VanDerWaalsContact CE1-OD2 3.25Å; H263-D281 IonicContact NE2-OD2 3.55Å; H263-D281 PolarHBondContact NE2-OD2 2.99Å; H263-W292 PolarHBondContact O-NE1 3.24Å
264	S	97.2	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-118.1	-4.9	162	53.5	0	0	0	0	112.4	S215 A228 H230 Y287	S215-S264 WeakPolarHBondContact CB-O 3.45Å; S215-S264 PolarHBondContact O-OG 3.11Å; S215-S264 PolarHBondContact OG-O 3.18Å; A228-S264 WeakPolarHBondContact CB-OG 3.36Å; A228-S264 PolarHBondContact O-OG 3.33Å; A228-S264 VanDerWaalsContact O-OG 3.11Å; H230-S264 PolarHBondContact NE2-N 3.09Å; S264-Y287 WeakPolarHBondContact O-CB 3.23Å; S264-Y287 PolarHBondContact O-N 2.76Å
265	A	98	Very high	98	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	136.9	161.9	0	0	0	0	0	109.9	L216 H230 W257 V285 W286	L216-A265 HydrophobicContact CD2-CB 4.42Å; H230-A265 PolarHBondContact CE1-O 2.75Å; H230-A265 PolarHBondContact NE2-N 3.42Å; H230-A265 PolarHBondContact NE2-O 3.23Å; W257-A265 PolarHBondContact NE1-O 2.75Å; A265-V285 VanDerWaalsContact CA-O 3.28Å; A265-V285 WeakPolarHBondContact CA-O 3.36Å; A265-W286 HydrophobicContact CB-CD2 4.43Å; A265-W286 HydrophobicContact CB-CE3 3.55Å; A265-W286 HydrophobicContact CB-CZ3 3.78Å
266	N	98.3	Very high	98	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	96.1	169.2	178.9	5	0	0	0	108.1	N268 G269 G283 I284 V285	N266-N268 VanDerWaalsContact C-N 3.29Å; N266-N268 PolarHBondContact OD1-N 3.25Å; N266-N268 VanDerWaalsContact OD1-N 3.17Å; N266-G269 PolarHBondContact OD1-N 3.32Å; N266-G283 VanDerWaalsContact O-O 3.13Å; N266-I284 CarbonylContact O-C 3.55Å; N266-I284 VanDerWaalsContact O-CA 3.25Å; N266-I284 WeakPolarHBondContact O-CA 3.48Å; N266-V285 PolarHBondContact N-O 3.5Å; N266-V285 PolarHBondContact O-N 3.32Å
267	L	98.7	Very high	97.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.8	-177.7	-58.9	178.8	0	0	0	112.8	Q125 R127 I175 L177 W257 I284 W286 V299 M301	Q125-L267 PolarHBondContact NE2-O 2.81Å; R127-L267 PolarHBondContact NH1-O 3.3Å; R127-L267 VanDerWaalsContact NH1-O 3.14Å; I175-L267 HydrophobicContact CD1-CD1 4Å; I175-L267 HydrophobicContact CG2-CD1 3.72Å; L177-L267 HydrophobicContact CD2-CD2 4.04Å; W257-L267 HydrophobicContact CH2-CB 3.74Å; W257-L267 HydrophobicContact CH2-CD1 4.01Å; W257-L267 HydrophobicContact CH2-CG 3.99Å; W257-L267 HydrophobicContact CZ2-CB 4.3Å; W257-L267 HydrophobicContact CZ2-CD1 4.42Å; W257-L267 HydrophobicContact CZ2-CG 4.2Å; W257-L267 HydrophobicContact CZ3-CB 4.16Å; L267-I284 HydrophobicContact CD2-CG2 4.39Å; L267-W286 HydrophobicContact CD1-CE3 4.34Å; L267-W286 HydrophobicContact CD1-CZ3 4.16Å; L267-W286 HydrophobicContact CD2-CE3 3.99Å; L267-W286 HydrophobicContact CG-CE3 4.45Å; L267-V299 HydrophobicContact CB-CG1 4.11Å; L267-V299 HydrophobicContact CD1-CG1 3.87Å; L267-V299 HydrophobicContact CD2-CG1 4.1Å; L267-V299 HydrophobicContact CD2-CG2 3.98Å; L267-V299 HydrophobicContact CG-CG1 4.24Å; L267-M301 HydrophobicContact CB-SD 4.42Å; L267-M301 HydrophobicContact CD1-CE 4.1Å; L267-M301 HydrophobicContact CD1-CG 4.09Å; L267-M301 HydrophobicContact CD1-SD 3.88Å
268	N	98.8	Very high	97.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	1.6	179.1	-71.8	-5.9	0	0	0	112.6	Q125 R127 F134 W156 A255 G256 W257 N266	Q125-N268 PolarHBondContact NE2-OD1 3.32Å; R127-N268 VanDerWaalsContact NH1-C 3.25Å; R127-N268 PolarHBondContact NH1-O 3.33Å; F134-N268 WeakPolarHBondContact CB-O 3.38Å; F134-N268 HydrophobicContact CD1-CB 3.92Å; W156-N268 WeakPolarHBondContact CZ3-ND2 3.21Å; A255-N268 HydrophobicContact CB-CB 3.98Å; A255-N268 WeakPolarHBondContact CB-O 3.36Å; G256-N268 WeakPolarHBondContact O-CB 3.41Å; G256-N268 PolarHBondContact O-ND2 3.16Å; W257-N268 HydrophobicContact CE3-CB 4.16Å; N266-N268 VanDerWaalsContact C-N 3.29Å; N266-N268 PolarHBondContact OD1-N 3.25Å; N266-N268 VanDerWaalsContact OD1-N 3.17Å
269	G	98.2	Very high	97.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	22%	0.222	C	C	.	.	S	Bend	trans	-63.7	-178.8	179.4	0	0	0	0	0	114.7	R127 N266 G283	R127-G269 PolarHBondContact NH1-O 3.21Å; R127-G269 PolarHBondContact NH2-O 2.87Å; R127-G269 VanDerWaalsContact NH2-O 3.08Å; N266-G269 PolarHBondContact OD1-N 3.32Å; G269-G283 WeakPolarHBondContact CA-O 3.17Å
270	L	98.3	Very high	97.4	Very high	49 Å²	49	44.5 Å²	44.5	26%	0.257	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-65.6	138.5	179.7	-61.5	-178.3	0	0	0	111.4	K254 Y272 N282 G283 I284 S295	K254-L270 HydrophobicContact CB-CD1 4.22Å; K254-L270 HydrophobicContact CB-CD2 3.92Å; K254-L270 HydrophobicContact CB-CG 4Å; K254-L270 HydrophobicContact CG-CD1 4.27Å; L270-Y272 HydrophobicContact CB-CD2 4.21Å; L270-Y272 HydrophobicContact CB-CE2 3.65Å; L270-Y272 HydrophobicContact CD1-CE2 4.3Å; L270-Y272 PolarHBondContact O-N 3.25Å; L270-N282 WeakPolarHBondContact CB-O 3.32Å; L270-N282 PolarHBondContact N-O 3.16Å; L270-G283 WeakPolarHBondContact O-CA 3.34Å; L270-I284 PolarHBondContact O-N 3.05Å; L270-S295 PolarHBondContact O-OG 2.98Å
271	Y	98.1	Very high	97.3	Very high	46 Å²	46	45.8 Å²	45.8	18%	0.18	23%	0.234	C	C	.	.			trans	-80.3	103.2	-179.1	-164.5	-80.8	0	0	0	109.9	S128 G130 F180 K273 I284 K297	S128-Y271 PolarHBondContact O-OH 3.4Å; G130-Y271 VanDerWaalsContact CA-CG 3.45Å; F180-Y271 HydrophobicContact CZ-CE1 4.12Å; Y271-K273 HydrophobicContact CE1-CG 4.29Å; Y271-I284 HydrophobicContact CD2-CD1 3.47Å; Y271-I284 VanDerWaalsContact CD2-CD1 3.47Å; Y271-I284 HydrophobicContact CE2-CD1 4.14Å; Y271-I284 HydrophobicContact CG-CD1 4.25Å; Y271-K297 VanDerWaalsContact CE2-O 3.29Å; Y271-K297 WeakPolarHBondContact CE2-O 3.38Å; Y271-K297 PolarHBondContact OH-O 2.81Å
272	Y	98.3	Very high	97.4	Very high	69 Å²	69	42 Å²	42	27%	0.271	22%	0.221	S	C	.	.			trans	-109	158.3	169.6	-61.5	-78.8	0	0	0	109.5	L270 G274 Y276 N282 S295	L270-Y272 HydrophobicContact CB-CD2 4.21Å; L270-Y272 HydrophobicContact CB-CE2 3.65Å; L270-Y272 HydrophobicContact CD1-CE2 4.3Å; L270-Y272 PolarHBondContact O-N 3.25Å; Y272-G274 PolarHBondContact O-N 2.98Å; Y272-Y276 HydrophobicContact CD2-CD1 4.14Å; Y272-Y276 AromaticContact CD2-CD2 3.66Å; Y272-Y276 HydrophobicContact CD2-CD2 3.66Å; Y272-Y276 HydrophobicContact CD2-CE1 4.46Å; Y272-Y276 HydrophobicContact CD2-CE2 4.04Å; Y272-Y276 AromaticContact CD2-CG 3.72Å; Y272-Y276 HydrophobicContact CD2-CG 3.72Å; Y272-Y276 AromaticContact CE2-CD2 3.76Å; Y272-Y276 HydrophobicContact CE2-CD2 3.76Å; Y272-Y276 AromaticContact CE2-CE2 3.99Å; Y272-Y276 HydrophobicContact CE2-CE2 3.99Å; Y272-Y276 HydrophobicContact CE2-CG 4.29Å; Y272-Y276 HydrophobicContact CG-CD1 4.38Å; Y272-Y276 HydrophobicContact CG-CD2 4.14Å; Y272-Y276 AromaticContact CG-CG 3.85Å; Y272-Y276 HydrophobicContact CG-CG 3.85Å; Y272-N282 WeakPolarHBondContact CE2-OD1 3.45Å; Y272-N282 PolarHBondContact OH-OD1 3.04Å; Y272-S295 PolarHBondContact N-OG 3.49Å; Y272-S295 WeakPolarHBondContact O-CB 3.36Å
273	K	97	Very high	97.5	Very high	167 Å²	167	41.1 Å²	41.1	73%	0.726	22%	0.215	S	C	*	.	S	Bend	trans	-97.5	80	-178	-65.8	-174.6	177.4	-177.8	0	111.5	F180 Y271	F180-K273 HydrophobicContact CE1-CB 3.98Å; F180-K273 HydrophobicContact CE1-CG 3.92Å; F180-K273 HydrophobicContact CE2-CB 4.36Å; F180-K273 VanDerWaalsContact CZ-CA 3.47Å; F180-K273 HydrophobicContact CZ-CB 3.89Å; F180-K273 HydrophobicContact CZ-CG 3.83Å; Y271-K273 HydrophobicContact CE1-CG 4.29Å
274	G	97.1	Very high	97.5	Very high	1 Å²	1	41 Å²	41	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.3	-136.3	178.7	0	0	0	0	0	112.1	Y272 Y276 S295	Y272-G274 PolarHBondContact O-N 2.98Å; G274-Y276 PolarHBondContact O-N 3.03Å; G274-S295 PolarHBondContact N-O 2.76Å; G274-S295 PolarHBondContact O-N 3.47Å
275	P	98.1	Very high	97.6	Very high	103 Å²	103	41 Å²	41	67%	0.669	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58	136.1	176.8	-22.2	33.2	0	0	0	111.8	W293 Y294	P275-W293 WeakPolarHBondContact CA-O 3.46Å; P275-Y294 HydrophobicContact CG-CD2 3.9Å; P275-Y294 HydrophobicContact CG-CE2 4.14Å
276	Y	97.9	Very high	97.6	Very high	19 Å²	19	41.2 Å²	41.2	8%	0.075	22%	0.215	C	C	.	.			trans	-140.3	163.3	-178.1	70.3	-84	0	0	0	113	Y272 G274 A278 D281 G283 V285 W292 W293	Y272-Y276 HydrophobicContact CD2-CD1 4.14Å; Y272-Y276 AromaticContact CD2-CD2 3.66Å; Y272-Y276 HydrophobicContact CD2-CD2 3.66Å; Y272-Y276 HydrophobicContact CD2-CE1 4.46Å; Y272-Y276 HydrophobicContact CD2-CE2 4.04Å; Y272-Y276 AromaticContact CD2-CG 3.72Å; Y272-Y276 HydrophobicContact CD2-CG 3.72Å; Y272-Y276 AromaticContact CE2-CD2 3.76Å; Y272-Y276 HydrophobicContact CE2-CD2 3.76Å; Y272-Y276 AromaticContact CE2-CE2 3.99Å; Y272-Y276 HydrophobicContact CE2-CE2 3.99Å; Y272-Y276 HydrophobicContact CE2-CG 4.29Å; Y272-Y276 HydrophobicContact CG-CD1 4.38Å; Y272-Y276 HydrophobicContact CG-CD2 4.14Å; Y272-Y276 AromaticContact CG-CG 3.85Å; Y272-Y276 HydrophobicContact CG-CG 3.85Å; G274-Y276 PolarHBondContact O-N 3.03Å; Y276-A278 HydrophobicContact CD2-CB 4.04Å; Y276-A278 HydrophobicContact CE2-CB 4.14Å; Y276-D281 WeakPolarHBondContact OH-CA 3.44Å; Y276-D281 PolarHBondContact OH-O 3.03Å; Y276-G283 WeakPolarHBondContact OH-CA 3.15Å; Y276-G283 PolarHBondContact OH-N 2.85Å; Y276-V285 WeakPolarHBondContact OH-CG2 3.42Å; Y276-W292 PolarHBondContact OH-O 3.21Å; Y276-W293 HydrophobicContact CD2-CE3 4.24Å; Y276-W293 VanDerWaalsContact CE1-C 3.5Å; Y276-W293 AromaticContact CE2-CE3 3.84Å; Y276-W293 HydrophobicContact CE2-CE3 3.84Å; Y276-W293 HydrophobicContact CE2-CZ3 4.02Å; Y276-W293 PolarHBondContact N-O 3.02Å; Y276-W293 VanDerWaalsContact N-O 3.12Å
277	T	97.3	Very high	97.6	Very high	138 Å²	138	44.6 Å²	44.6	85%	0.847	23%	0.229	S	C	*	.			trans	-127.7	126.6	171.4	-57.5	0	0	0	0	108.4
278	A	95.6	Very high	97.5	Very high	28 Å²	28	46.5 Å²	46.5	23%	0.231	24%	0.24	C	C	.	.			trans	-146.8	177.5	178	0	0	0	0	0	109.1	Y276 T280 W293	Y276-A278 HydrophobicContact CD2-CB 4.04Å; Y276-A278 HydrophobicContact CE2-CB 4.14Å; A278-T280 VanDerWaalsContact C-N 3.31Å; A278-T280 WeakPolarHBondContact CB-O 3.49Å; A278-W293 HydrophobicContact CB-CZ3 4.48Å
279	M	94.3	Very high	97.4	Very high	174 Å²	174	48 Å²	48	86%	0.857	25%	0.246	S	C	*	.	S	Bend	trans	-67.5	-36.3	176.7	-171	178	83.5	0	0	111.7
280	T	95.3	Very high	97.4	Very high	18 Å²	18	51 Å²	51	11%	0.11	26%	0.259	C	S	.	.	S	Bend	trans	-130.4	167.2	177.5	54.4	0	0	0	0	109.3	E252 E253 A278 N282 W293	E252-T280 HydrophobicContact CB-CG2 4.38Å; E252-T280 PolarHBondContact O-OG1 2.74Å; E252-T280 VanDerWaalsContact O-OG1 3.06Å; E253-T280 WeakPolarHBondContact OE1-CB 3.33Å; A278-T280 VanDerWaalsContact C-N 3.31Å; A278-T280 WeakPolarHBondContact CB-O 3.49Å; T280-N282 PolarHBondContact O-N 3.09Å; T280-N282 PolarHBondContact O-OD1 3.16Å; T280-W293 WeakPolarHBondContact O-CZ3 3.37Å
281	D	96.5	Very high	97.3	Very high	37 Å²	37	49.6 Å²	49.6	20%	0.198	26%	0.257	C	S	.	.			trans	-79	45.6	177.3	53.4	-52.6	0	0	0	113.2	E253 H263 Y276 G283 W292 W293	E253-D281 VanDerWaalsContact OE2-C 3.29Å; H263-D281 IonicContact CE1-OD2 3.84Å; H263-D281 PolarHBondContact CE1-OD2 2.79Å; H263-D281 VanDerWaalsContact CE1-OD2 3.25Å; H263-D281 IonicContact NE2-OD2 3.55Å; H263-D281 PolarHBondContact NE2-OD2 2.99Å; Y276-D281 WeakPolarHBondContact OH-CA 3.44Å; Y276-D281 PolarHBondContact OH-O 3.03Å; D281-G283 PolarHBondContact O-N 2.89Å; D281-W292 HydrophobicContact CB-CB 3.72Å; D281-W292 HydrophobicContact CB-CG 4.34Å; D281-W293 HydrophobicContact CB-CH2 4.38Å; D281-W293 HydrophobicContact CB-CZ2 4.42Å; D281-W293 HydrophobicContact CB-CZ3 4.49Å
282	N	98.1	Very high	97.3	Very high	12 Å²	12	50.1 Å²	50.1	6%	0.064	26%	0.258	C	S	.	.			trans	-79.1	26.5	-172.5	66.1	1.3	0	0	0	116.2	E253 L270 Y272 T280	E253-N282 WeakPolarHBondContact OE2-CA 3.4Å; E253-N282 PolarHBondContact OE2-N 3.2Å; L270-N282 WeakPolarHBondContact CB-O 3.32Å; L270-N282 PolarHBondContact N-O 3.16Å; Y272-N282 WeakPolarHBondContact CE2-OD1 3.45Å; Y272-N282 PolarHBondContact OH-OD1 3.04Å; T280-N282 PolarHBondContact O-N 3.09Å; T280-N282 PolarHBondContact O-OD1 3.16Å
283	G	98.4	Very high	97.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-87	-175.4	178.4	0	0	0	0	0	113.2	N266 G269 L270 Y276 D281 V285	N266-G283 VanDerWaalsContact O-O 3.13Å; G269-G283 WeakPolarHBondContact CA-O 3.17Å; L270-G283 WeakPolarHBondContact O-CA 3.34Å; Y276-G283 WeakPolarHBondContact OH-CA 3.15Å; Y276-G283 PolarHBondContact OH-N 2.85Å; D281-G283 PolarHBondContact O-N 2.89Å; G283-V285 VanDerWaalsContact C-N 3.33Å; G283-V285 PolarHBondContact O-N 3.41Å; G283-V285 VanDerWaalsContact O-N 3.09Å
284	I	98.6	Very high	97.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-80.1	85.6	167.5	-56.7	178.4	0	0	0	107.9	R127 N266 L267 L270 Y271 S295 L296 V299	R127-I284 HydrophobicContact CB-CD1 3.98Å; R127-I284 HydrophobicContact CG-CD1 4.14Å; N266-I284 CarbonylContact O-C 3.55Å; N266-I284 VanDerWaalsContact O-CA 3.25Å; N266-I284 WeakPolarHBondContact O-CA 3.48Å; L267-I284 HydrophobicContact CD2-CG2 4.39Å; L270-I284 PolarHBondContact O-N 3.05Å; Y271-I284 HydrophobicContact CD2-CD1 3.47Å; Y271-I284 VanDerWaalsContact CD2-CD1 3.47Å; Y271-I284 HydrophobicContact CE2-CD1 4.14Å; Y271-I284 HydrophobicContact CG-CD1 4.25Å; I284-S295 PolarHBondContact N-OG 2.98Å; I284-S295 WeakPolarHBondContact O-CA 3.12Å; I284-L296 HydrophobicContact CB-CB 4.47Å; I284-L296 HydrophobicContact CG2-CB 4.01Å; I284-L296 WeakPolarHBondContact O-CG 3.38Å; I284-L296 PolarHBondContact O-N 3.17Å; I284-V299 HydrophobicContact CG2-CG2 3.47Å; I284-V299 VanDerWaalsContact CG2-CG2 3.47Å
285	V	98.5	Very high	97.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	137.9	-165.9	170.1	0	0	0	0	112.3	A265 N266 Y276 G283 W292	A265-V285 VanDerWaalsContact CA-O 3.28Å; A265-V285 WeakPolarHBondContact CA-O 3.36Å; N266-V285 PolarHBondContact N-O 3.5Å; N266-V285 PolarHBondContact O-N 3.32Å; Y276-V285 WeakPolarHBondContact OH-CG2 3.42Å; G283-V285 VanDerWaalsContact C-N 3.33Å; G283-V285 PolarHBondContact O-N 3.41Å; G283-V285 VanDerWaalsContact O-N 3.09Å; V285-W292 WeakPolarHBondContact CG2-O 3.28Å
286	W	98.4	Very high	97.4	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.011	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	93.5	163.9	-167.7	-91.9	0	0	0	109.7	I175 L177 A187 Y189 A212 G213 L216 A265 L267 T288 W289 H290 L296	I175-W286 HydrophobicContact CD1-CH2 3.92Å; I175-W286 HydrophobicContact CD1-CZ3 3.9Å; L177-W286 HydrophobicContact CD1-CB 4.09Å; L177-W286 HydrophobicContact CD1-CD2 3.71Å; L177-W286 HydrophobicContact CD1-CE3 4.29Å; L177-W286 HydrophobicContact CD1-CG 3.62Å; A187-W286 HydrophobicContact CB-CH2 3.88Å; A187-W286 HydrophobicContact CB-CZ2 3.57Å; Y189-W286 HydrophobicContact CE2-CH2 4.23Å; A212-W286 HydrophobicContact CB-CZ2 4.48Å; A212-W286 PolarHBondContact O-NE1 2.93Å; G213-W286 VanDerWaalsContact O-CZ2 3.27Å; G213-W286 WeakPolarHBondContact O-CZ2 3.48Å; G213-W286 PolarHBondContact O-NE1 2.96Å; G213-W286 VanDerWaalsContact O-NE1 3.15Å; L216-W286 HydrophobicContact CB-CH2 4.45Å; L216-W286 HydrophobicContact CD1-CH2 4.42Å; L216-W286 HydrophobicContact CD2-CZ3 4.45Å; L216-W286 HydrophobicContact CG-CH2 3.82Å; L216-W286 HydrophobicContact CG-CZ3 3.92Å; A265-W286 HydrophobicContact CB-CD2 4.43Å; A265-W286 HydrophobicContact CB-CE3 3.55Å; A265-W286 HydrophobicContact CB-CZ3 3.78Å; L267-W286 HydrophobicContact CD1-CE3 4.34Å; L267-W286 HydrophobicContact CD1-CZ3 4.16Å; L267-W286 HydrophobicContact CD2-CE3 3.99Å; L267-W286 HydrophobicContact CG-CE3 4.45Å; W286-T288 PolarHBondContact NE1-OG1 3.15Å; W286-T288 PolarHBondContact O-N 3.33Å; W286-W289 PolarHBondContact O-N 3.18Å; W286-W289 VanDerWaalsContact O-N 3.13Å; W286-H290 PolarHBondContact O-N 3.28Å; W286-L296 HydrophobicContact CB-CD1 3.89Å
287	Y	97.7	Very high	97.4	Very high	72 Å²	72	42.3 Å²	42.3	28%	0.282	21%	0.212	S	C	.	.	H	α-helix	trans	-53.5	-45.2	-166.3	177.3	-93.8	0	0	0	115	S215 F220 S264 W289 G291 W292	S215-Y287 PolarHBondContact OG-N 3.43Å; S215-Y287 VanDerWaalsContact OG-N 3.07Å; F220-Y287 HydrophobicContact CD2-CD1 4.25Å; F220-Y287 HydrophobicContact CD2-CE1 4.07Å; F220-Y287 HydrophobicContact CE1-CD1 4.14Å; F220-Y287 AromaticContact CE2-CD1 3.33Å; F220-Y287 HydrophobicContact CE2-CD1 3.33Å; F220-Y287 AromaticContact CE2-CE1 3.25Å; F220-Y287 HydrophobicContact CE2-CE1 3.25Å; F220-Y287 AromaticContact CZ-CD1 3.24Å; F220-Y287 HydrophobicContact CZ-CD1 3.24Å; F220-Y287 AromaticContact CZ-CE1 3.7Å; F220-Y287 HydrophobicContact CZ-CE1 3.7Å; F220-Y287 HydrophobicContact CZ-CG 4.14Å; S264-Y287 WeakPolarHBondContact O-CB 3.23Å; S264-Y287 PolarHBondContact O-N 2.76Å; Y287-W289 PolarHBondContact O-N 3.32Å; Y287-G291 VanDerWaalsContact O-CA 3.31Å; Y287-G291 WeakPolarHBondContact O-CA 3.44Å; Y287-G291 PolarHBondContact O-N 2.82Å; Y287-W292 AromaticContact CD2-CD2 3.35Å; Y287-W292 HydrophobicContact CD2-CD2 3.35Å; Y287-W292 AromaticContact CD2-CE2 3.27Å; Y287-W292 AromaticContact CD2-CE3 3.68Å; Y287-W292 HydrophobicContact CD2-CE3 3.68Å; Y287-W292 AromaticContact CD2-CG 3.9Å; Y287-W292 HydrophobicContact CD2-CG 3.9Å; Y287-W292 AromaticContact CD2-CH2 3.76Å; Y287-W292 HydrophobicContact CD2-CH2 3.76Å; Y287-W292 AromaticContact CD2-CZ2 3.44Å; Y287-W292 HydrophobicContact CD2-CZ2 3.44Å; Y287-W292 VanDerWaalsContact CD2-CZ2 3.44Å; Y287-W292 AromaticContact CD2-CZ3 3.89Å; Y287-W292 HydrophobicContact CD2-CZ3 3.89Å; Y287-W292 AromaticContact CD2-NE1 3.88Å; Y287-W292 AromaticContact CE2-CD2 3.57Å; Y287-W292 HydrophobicContact CE2-CD2 3.57Å; Y287-W292 AromaticContact CE2-CE2 3.69Å; Y287-W292 AromaticContact CE2-CE3 3.33Å; Y287-W292 HydrophobicContact CE2-CE3 3.33Å; Y287-W292 HydrophobicContact CE2-CG 4.46Å; Y287-W292 AromaticContact CE2-CH2 3.28Å; Y287-W292 HydrophobicContact CE2-CH2 3.28Å; Y287-W292 AromaticContact CE2-CZ2 3.52Å; Y287-W292 HydrophobicContact CE2-CZ2 3.52Å; Y287-W292 AromaticContact CE2-CZ3 3.21Å; Y287-W292 HydrophobicContact CE2-CZ3 3.21Å; Y287-W292 HydrophobicContact CG-CZ2 4.09Å; Y287-W292 AromaticContact CZ-CH2 3.78Å; Y287-W292 AromaticContact CZ-CZ3 3.95Å
288	T	97.4	Very high	97.5	Very high	40 Å²	40	37 Å²	37	25%	0.245	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-9.7	-174	47.4	0	0	0	0	113.9	A212 G213 S215 F220 W286	A212-T288 PolarHBondContact O-OG1 3.15Å; G213-T288 WeakPolarHBondContact CA-OG1 3.27Å; G213-T288 PolarHBondContact O-OG1 3.25Å; S215-T288 PolarHBondContact OG-N 2.95Å; S215-T288 PolarHBondContact OG-OG1 3.03Å; F220-T288 HydrophobicContact CB-CG2 4.1Å; F220-T288 HydrophobicContact CD1-CG2 3.1Å; F220-T288 HydrophobicContact CD2-CG2 4.18Å; F220-T288 HydrophobicContact CE1-CG2 3.41Å; F220-T288 VanDerWaalsContact CE1-CG2 3.41Å; F220-T288 HydrophobicContact CE2-CG2 4.44Å; F220-T288 HydrophobicContact CG-CG2 3.53Å; F220-T288 HydrophobicContact CZ-CG2 4.08Å; W286-T288 PolarHBondContact NE1-OG1 3.15Å; W286-T288 PolarHBondContact O-N 3.33Å
289	W	97.3	Very high	97.6	Very high	31 Å²	31	35.6 Å²	35.6	12%	0.117	17%	0.169	C	C	.	.	H	α-helix	trans	-103.9	-62.2	174.6	-172.9	9.7	0	0	0	112.6	L177 D179 E183 R185 W286 Y287 L296	L177-W289 HydrophobicContact CB-CE3 4.32Å; L177-W289 HydrophobicContact CB-CZ3 3.81Å; L177-W289 HydrophobicContact CD1-CE3 4.46Å; D179-W289 HydrophobicContact CB-CH2 3.58Å; D179-W289 HydrophobicContact CB-CZ2 3.83Å; D179-W289 HydrophobicContact CB-CZ3 4.28Å; D179-W289 WeakPolarHBondContact OD2-CZ2 3.39Å; E183-W289 HydrophobicContact CB-CH2 4.42Å; E183-W289 HydrophobicContact CB-CZ2 3.87Å; E183-W289 WeakPolarHBondContact O-CH2 3.41Å; R185-W289 HydrophobicContact CB-CE3 4.4Å; R185-W289 HydrophobicContact CB-CZ3 4.33Å; R185-W289 HydrophobicContact CG-CD2 4.29Å; R185-W289 HydrophobicContact CG-CE3 4.44Å; R185-W289 HydrophobicContact CG-CH2 4.21Å; R185-W289 HydrophobicContact CG-CZ2 4.05Å; R185-W289 HydrophobicContact CG-CZ3 4.41Å; R185-W289 VanDerWaalsContact CZ-CD1 3.42Å; W286-W289 PolarHBondContact O-N 3.18Å; W286-W289 VanDerWaalsContact O-N 3.13Å; Y287-W289 PolarHBondContact O-N 3.32Å; W289-L296 HydrophobicContact CE3-CD2 3.71Å; W289-L296 HydrophobicContact CH2-CD2 4.47Å; W289-L296 HydrophobicContact CZ3-CD2 3.6Å
290	H	97.3	Very high	97.8	Very high	64 Å²	64	28.7 Å²	28.7	30%	0.296	14%	0.136	S	C	.	.	H	α-helix	trans	-118.2	7	-172.4	-73.4	-64.1	0	0	0	114.1	D179 W286 Y294	D179-H290 WeakPolarHBondContact CB-NE2 3.39Å; D179-H290 IonicContact OD2-CE1 3.74Å; D179-H290 IonicContact OD2-NE2 3.72Å; D179-H290 PolarHBondContact OD2-NE2 3.3Å; W286-H290 PolarHBondContact O-N 3.28Å; H290-Y294 VanDerWaalsContact CB-CB 3.48Å; H290-Y294 HydrophobicContact CB-CD1 3.81Å; H290-Y294 HydrophobicContact CB-CD2 4.22Å; H290-Y294 HydrophobicContact CB-CG 3.58Å; H290-Y294 AromaticContact CD2-CD1 3.71Å; H290-Y294 AromaticContact CD2-CE1 3.75Å; H290-Y294 AromaticContact CG-CD1 3.85Å; H290-Y294 AromaticContact CG-CG 3.83Å
291	G	96.7	Very high	98	Very high	19 Å²	19	27.9 Å²	27.9	20%	0.196	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	71.3	-164.5	-173.1	0	0	0	0	0	112.8	Y287	Y287-G291 VanDerWaalsContact O-CA 3.31Å; Y287-G291 WeakPolarHBondContact O-CA 3.44Å; Y287-G291 PolarHBondContact O-N 2.82Å
292	W	96.8	Very high	98.1	Very high	57 Å²	57	26.4 Å²	26.4	22%	0.216	12%	0.123	C	C	.	.	S	Bend	trans	-83.1	-22	-175.6	-71.7	-68.5	0	0	0	114.7	W227 H263 Y276 D281 V285 Y287 Y294	W227-W292 AromaticContact CH2-CE2 3.97Å; W227-W292 AromaticContact CH2-CH2 3.79Å; W227-W292 HydrophobicContact CH2-CH2 3.79Å; W227-W292 AromaticContact CH2-CZ2 3.26Å; W227-W292 HydrophobicContact CH2-CZ2 3.26Å; W227-W292 AromaticContact CZ2-CH2 3.85Å; W227-W292 HydrophobicContact CZ2-CH2 3.85Å; W227-W292 AromaticContact CZ2-CZ2 3.72Å; W227-W292 HydrophobicContact CZ2-CZ2 3.72Å; W227-W292 HydrophobicContact CZ3-CZ2 4.34Å; H263-W292 PolarHBondContact O-NE1 3.24Å; Y276-W292 PolarHBondContact OH-O 3.21Å; D281-W292 HydrophobicContact CB-CB 3.72Å; D281-W292 HydrophobicContact CB-CG 4.34Å; V285-W292 WeakPolarHBondContact CG2-O 3.28Å; Y287-W292 AromaticContact CD2-CD2 3.35Å; Y287-W292 HydrophobicContact CD2-CD2 3.35Å; Y287-W292 AromaticContact CD2-CE2 3.27Å; Y287-W292 AromaticContact CD2-CE3 3.68Å; Y287-W292 HydrophobicContact CD2-CE3 3.68Å; Y287-W292 AromaticContact CD2-CG 3.9Å; Y287-W292 HydrophobicContact CD2-CG 3.9Å; Y287-W292 AromaticContact CD2-CH2 3.76Å; Y287-W292 HydrophobicContact CD2-CH2 3.76Å; Y287-W292 AromaticContact CD2-CZ2 3.44Å; Y287-W292 HydrophobicContact CD2-CZ2 3.44Å; Y287-W292 VanDerWaalsContact CD2-CZ2 3.44Å; Y287-W292 AromaticContact CD2-CZ3 3.89Å; Y287-W292 HydrophobicContact CD2-CZ3 3.89Å; Y287-W292 AromaticContact CD2-NE1 3.88Å; Y287-W292 AromaticContact CE2-CD2 3.57Å; Y287-W292 HydrophobicContact CE2-CD2 3.57Å; Y287-W292 AromaticContact CE2-CE2 3.69Å; Y287-W292 AromaticContact CE2-CE3 3.33Å; Y287-W292 HydrophobicContact CE2-CE3 3.33Å; Y287-W292 HydrophobicContact CE2-CG 4.46Å; Y287-W292 AromaticContact CE2-CH2 3.28Å; Y287-W292 HydrophobicContact CE2-CH2 3.28Å; Y287-W292 AromaticContact CE2-CZ2 3.52Å; Y287-W292 HydrophobicContact CE2-CZ2 3.52Å; Y287-W292 AromaticContact CE2-CZ3 3.21Å; Y287-W292 HydrophobicContact CE2-CZ3 3.21Å; Y287-W292 HydrophobicContact CG-CZ2 4.09Å; Y287-W292 AromaticContact CZ-CH2 3.78Å; Y287-W292 AromaticContact CZ-CZ3 3.95Å; W292-Y294 PolarHBondContact O-N 2.96Å
293	W	98	Very high	98.1	Very high	124 Å²	124	25.8 Å²	25.8	47%	0.47	12%	0.12	S	C	.	.	S	Bend	trans	-102.4	28.1	-171.5	-62.6	106.3	0	0	0	113.9	P275 Y276 A278 T280 D281	P275-W293 WeakPolarHBondContact CA-O 3.46Å; Y276-W293 HydrophobicContact CD2-CE3 4.24Å; Y276-W293 VanDerWaalsContact CE1-C 3.5Å; Y276-W293 AromaticContact CE2-CE3 3.84Å; Y276-W293 HydrophobicContact CE2-CE3 3.84Å; Y276-W293 HydrophobicContact CE2-CZ3 4.02Å; Y276-W293 PolarHBondContact N-O 3.02Å; Y276-W293 VanDerWaalsContact N-O 3.12Å; A278-W293 HydrophobicContact CB-CZ3 4.48Å; T280-W293 WeakPolarHBondContact O-CZ3 3.37Å; D281-W293 HydrophobicContact CB-CH2 4.38Å; D281-W293 HydrophobicContact CB-CZ2 4.42Å; D281-W293 HydrophobicContact CB-CZ3 4.49Å
294	Y	98.5	Very high	98.1	Very high	16 Å²	16	28.3 Å²	28.3	6%	0.063	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	127.5	174.4	-172.4	-74.1	0	0	0	109.5	D179 F180 E181 P275 H290 W292 L296	D179-Y294 HydrophobicContact CB-CE1 4.03Å; D179-Y294 WeakPolarHBondContact CB-OH 3.41Å; F180-Y294 PolarHBondContact N-OH 3.23Å; E181-Y294 PolarHBondContact OE2-OH 3.34Å; P275-Y294 HydrophobicContact CG-CD2 3.9Å; P275-Y294 HydrophobicContact CG-CE2 4.14Å; H290-Y294 VanDerWaalsContact CB-CB 3.48Å; H290-Y294 HydrophobicContact CB-CD1 3.81Å; H290-Y294 HydrophobicContact CB-CD2 4.22Å; H290-Y294 HydrophobicContact CB-CG 3.58Å; H290-Y294 AromaticContact CD2-CD1 3.71Å; H290-Y294 AromaticContact CD2-CE1 3.75Å; H290-Y294 AromaticContact CG-CD1 3.85Å; H290-Y294 AromaticContact CG-CG 3.83Å; W292-Y294 PolarHBondContact O-N 2.96Å; Y294-L296 HydrophobicContact CD1-CD2 4.31Å; Y294-L296 HydrophobicContact CE1-CD2 4.21Å
295	S	98.5	Very high	98	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127	177.1	-166.7	0	0	0	0	109.7	F180 L270 Y272 G274 I284	F180-S295 WeakPolarHBondContact CE2-O 3.31Å; L270-S295 PolarHBondContact O-OG 2.98Å; Y272-S295 PolarHBondContact N-OG 3.49Å; Y272-S295 WeakPolarHBondContact O-CB 3.36Å; G274-S295 PolarHBondContact N-O 2.76Å; G274-S295 PolarHBondContact O-N 3.47Å; I284-S295 PolarHBondContact N-OG 2.98Å; I284-S295 WeakPolarHBondContact O-CA 3.12Å
296	L	98.6	Very high	97.9	Very high	2 Å²	2	32 Å²	32	1%	0.01	16%	0.158	C	C	.	.			trans	-69.2	149.1	-175.8	-65.4	173.9	0	0	0	112.4	L177 D179 I284 W286 W289 Y294 V299	L177-L296 HydrophobicContact CB-CD1 4.2Å; L177-L296 HydrophobicContact CD1-CD1 4.27Å; L177-L296 HydrophobicContact CD2-CD1 3.73Å; L177-L296 HydrophobicContact CG-CD1 4.29Å; D179-L296 HydrophobicContact CB-CD2 4.48Å; I284-L296 HydrophobicContact CB-CB 4.47Å; I284-L296 HydrophobicContact CG2-CB 4.01Å; I284-L296 WeakPolarHBondContact O-CG 3.38Å; I284-L296 PolarHBondContact O-N 3.17Å; W286-L296 HydrophobicContact CB-CD1 3.89Å; W289-L296 HydrophobicContact CE3-CD2 3.71Å; W289-L296 HydrophobicContact CH2-CD2 4.47Å; W289-L296 HydrophobicContact CZ3-CD2 3.6Å; Y294-L296 HydrophobicContact CD1-CD2 4.31Å; Y294-L296 HydrophobicContact CE1-CD2 4.21Å; L296-V299 HydrophobicContact CB-CG2 4.37Å; L296-V299 HydrophobicContact CD1-CG2 4.18Å
297	K	98.3	Very high	97.7	Very high	54 Å²	54	38.3 Å²	38.3	24%	0.235	19%	0.192	C	C	.	.	S	Bend	trans	-70	-44.9	177.6	-179.1	-179.4	173.7	-176.1	0	111.8	E60 T178 D179 F180 Y271	E60-K297 IonicContact OE2-NZ 3.51Å; T178-K297 WeakPolarHBondContact O-CB 3.41Å; T178-K297 PolarHBondContact O-N 2.03Å; D179-K297 WeakPolarHBondContact O-CB 3.43Å; F180-K297 HydrophobicContact CD1-CB 4.06Å; F180-K297 HydrophobicContact CD1-CD 4.12Å; F180-K297 HydrophobicContact CD1-CG 4.04Å; F180-K297 HydrophobicContact CD2-CB 3.75Å; F180-K297 HydrophobicContact CE1-CB 3.96Å; F180-K297 HydrophobicContact CE1-CD 4.25Å; F180-K297 HydrophobicContact CE1-CG 3.77Å; F180-K297 HydrophobicContact CE2-CB 3.64Å; F180-K297 HydrophobicContact CE2-CG 4.34Å; F180-K297 HydrophobicContact CG-CB 3.96Å; F180-K297 HydrophobicContact CG-CG 4.44Å; F180-K297 HydrophobicContact CZ-CB 3.73Å; F180-K297 HydrophobicContact CZ-CG 3.92Å; Y271-K297 VanDerWaalsContact CE2-O 3.29Å; Y271-K297 WeakPolarHBondContact CE2-O 3.38Å; Y271-K297 PolarHBondContact OH-O 2.81Å
298	S	98.1	Very high	97.6	Very high	25 Å²	25	36 Å²	36	18%	0.175	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	146.4	-179	74.9	0	0	0	0	112.5	R127 L177 T178	R127-S298 CarbonylContact O-C 3.54Å; R127-S298 WeakPolarHBondContact O-CA 3.41Å; R127-S298 WeakPolarHBondContact O-CB 3.21Å; L177-S298 WeakPolarHBondContact CA-O 3.36Å; T178-S298 WeakPolarHBondContact CB-OG 3.01Å; T178-S298 PolarHBondContact N-O 2.72Å; T178-S298 PolarHBondContact O-N 3.09Å; T178-S298 VanDerWaalsContact O-N 3.11Å; T178-S298 PolarHBondContact OG1-OG 2.95Å
299	V	98.3	Very high	97.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	136.4	175	179.4	0	0	0	0	109	R126 R127 I175 D176 L177 L267 I284 L296 M301	R126-V299 CarbonylContact C-O 3.52Å; R126-V299 WeakPolarHBondContact CA-O 2.98Å; R127-V299 HydrophobicContact CB-CB 4.23Å; R127-V299 HydrophobicContact CG-CB 4.3Å; R127-V299 PolarHBondContact N-O 3.06Å; R127-V299 PolarHBondContact O-N 3Å; I175-V299 HydrophobicContact CG2-CG1 4.12Å; D176-V299 CarbonylContact O-C 3.6Å; D176-V299 WeakPolarHBondContact O-CA 3.35Å; L177-V299 HydrophobicContact CD2-CB 4.33Å; L177-V299 HydrophobicContact CD2-CG1 3.96Å; L177-V299 HydrophobicContact CD2-CG2 3.8Å; L267-V299 HydrophobicContact CB-CG1 4.11Å; L267-V299 HydrophobicContact CD1-CG1 3.87Å; L267-V299 HydrophobicContact CD2-CG1 4.1Å; L267-V299 HydrophobicContact CD2-CG2 3.98Å; L267-V299 HydrophobicContact CG-CG1 4.24Å; I284-V299 HydrophobicContact CG2-CG2 3.47Å; I284-V299 VanDerWaalsContact CG2-CG2 3.47Å; L296-V299 HydrophobicContact CB-CG2 4.37Å; L296-V299 HydrophobicContact CD1-CG2 4.18Å; V299-M301 HydrophobicContact CG1-CG 4.14Å
300	V	98.6	Very high	96.8	Very high	28 Å²	28	43.1 Å²	43.1	17%	0.17	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	117.1	168.5	-177.3	0	0	0	0	108.3	V123 R126 I175 D176 K302	V123-V300 HydrophobicContact CB-CG1 4.46Å; V123-V300 HydrophobicContact CG1-CG1 3.7Å; V123-V300 HydrophobicContact CG2-CG1 3.92Å; R126-V300 HydrophobicContact CG-CG2 4.28Å; I175-V300 WeakPolarHBondContact CA-O 3.15Å; D176-V300 HydrophobicContact CB-CB 4.44Å; D176-V300 PolarHBondContact N-O 2.96Å; D176-V300 PolarHBondContact O-N 2.86Å; V300-K302 HydrophobicContact CG1-CD 4.26Å
301	M	98.8	Very high	96.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.9	171.2	-48.7	179.9	75	0	0	109.8	F124 Q125 L173 I175 W257 L267 V299	F124-M301 HydrophobicContact CD1-CB 4.17Å; F124-M301 WeakPolarHBondContact CD1-O 3.16Å; F124-M301 HydrophobicContact CD2-CB 4.33Å; F124-M301 HydrophobicContact CE1-CB 3.52Å; F124-M301 HydrophobicContact CE2-CB 3.72Å; F124-M301 HydrophobicContact CE2-CE 3.98Å; F124-M301 HydrophobicContact CE2-CG 4.42Å; F124-M301 HydrophobicContact CE2-SD 3.83Å; F124-M301 HydrophobicContact CZ-CB 3.3Å; F124-M301 HydrophobicContact CZ-CE 3.62Å; F124-M301 HydrophobicContact CZ-CG 4.21Å; F124-M301 HydrophobicContact CZ-SD 3.94Å; F124-M301 PolarHBondContact N-O 3.3Å; Q125-M301 HydrophobicContact CB-CB 3.97Å; Q125-M301 HydrophobicContact CB-CG 4.01Å; Q125-M301 HydrophobicContact CB-SD 4.02Å; Q125-M301 HydrophobicContact CG-SD 4.35Å; Q125-M301 PolarHBondContact N-O 3.07Å; Q125-M301 PolarHBondContact O-N 2.81Å; L173-M301 HydrophobicContact CD1-CB 4.41Å; L173-M301 HydrophobicContact CD1-CE 4.32Å; L173-M301 HydrophobicContact CD2-CE 4.47Å; I175-M301 HydrophobicContact CD1-CE 3.93Å; I175-M301 HydrophobicContact CG1-CE 4.13Å; I175-M301 HydrophobicContact CG1-CG 4.23Å; I175-M301 HydrophobicContact CG2-CG 4.37Å; W257-M301 HydrophobicContact CH2-CE 3.74Å; W257-M301 HydrophobicContact CH2-SD 3.77Å; W257-M301 HydrophobicContact CZ3-CE 4.42Å; W257-M301 HydrophobicContact CZ3-SD 4.05Å; L267-M301 HydrophobicContact CB-SD 4.42Å; L267-M301 HydrophobicContact CD1-CE 4.1Å; L267-M301 HydrophobicContact CD1-CG 4.09Å; L267-M301 HydrophobicContact CD1-SD 3.88Å; V299-M301 HydrophobicContact CG1-CG 4.14Å
302	K	98.8	Very high	94.7	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.4	-174.6	63.4	-164.3	-166.3	-167	0	112.2	D114 W121 T122 V123 R174 D176 V300	D114-K302 IonicContact OD2-NZ 3.05Å; D114-K302 PolarHBondContact OD2-NZ 3.36Å; W121-K302 HydrophobicContact CB-CB 4.19Å; W121-K302 HydrophobicContact CB-CD 3.8Å; W121-K302 HydrophobicContact CB-CG 4.07Å; W121-K302 HydrophobicContact CD2-CD 4.17Å; W121-K302 HydrophobicContact CD2-CG 3.99Å; W121-K302 HydrophobicContact CE3-CB 4.25Å; W121-K302 HydrophobicContact CE3-CD 4.37Å; W121-K302 HydrophobicContact CE3-CG 3.67Å; W121-K302 HydrophobicContact CG-CD 3.93Å; W121-K302 HydrophobicContact CG-CG 4.18Å; W121-K302 HydrophobicContact CZ3-CG 4.42Å; T122-K302 CarbonylContact O-C 3.6Å; T122-K302 WeakPolarHBondContact O-CA 3.46Å; T122-K302 WeakPolarHBondContact O-CB 3.41Å; V123-K302 HydrophobicContact CB-CB 4.4Å; V123-K302 HydrophobicContact CG2-CB 3.97Å; V123-K302 HydrophobicContact CG2-CD 4.41Å; R174-K302 HydrophobicContact CB-CG 4.08Å; R174-K302 PolarHBondContact N-O 3.34Å; R174-K302 PolarHBondContact O-N 2.86Å; D176-K302 WeakPolarHBondContact OD2-CE 3.39Å; D176-K302 IonicContact OD2-NZ 2.7Å; D176-K302 PolarHBondContact OD2-NZ 3.03Å; V300-K302 HydrophobicContact CG1-CD 4.26Å
303	V	98.7	Very high	92.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	152.1	-179.7	-64.6	0	0	0	0	111.5	T122 F124 T166 Y171 T172 L173 F192	T122-V303 PolarHBondContact N-O 3.29Å; T122-V303 PolarHBondContact O-N 3.2Å; F124-V303 HydrophobicContact CD1-CG1 4.02Å; F124-V303 HydrophobicContact CE1-CG1 3.78Å; T166-V303 HydrophobicContact CG2-CG1 4.33Å; Y171-V303 HydrophobicContact CD1-CB 4.01Å; Y171-V303 HydrophobicContact CD1-CG2 4.1Å; T172-V303 VanDerWaalsContact O-CA 3.27Å; T172-V303 WeakPolarHBondContact O-CA 3.42Å; L173-V303 HydrophobicContact CD1-CG1 4.35Å; F192-V303 HydrophobicContact CD1-CG1 3.71Å; F192-V303 HydrophobicContact CE1-CG1 4.01Å
304	R	98	Very high	92.4	Very high	52 Å²	52	54.4 Å²	54.4	20%	0.196	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	146.3	175.1	-173.3	170.2	73.4	176.1	3.3	110.1	A85 G119 G120 W121 Y171 T172 A306 F308	A85-R304 HydrophobicContact CB-CG 4.38Å; G119-R304 WeakPolarHBondContact O-CD 3.32Å; G119-R304 PolarHBondContact O-NH1 2.98Å; G120-R304 WeakPolarHBondContact O-CD 3.49Å; G120-R304 WeakPolarHBondContact O-CG 3.19Å; W121-R304 HydrophobicContact CD2-CB 3.87Å; W121-R304 HydrophobicContact CE3-CB 3.43Å; W121-R304 VanDerWaalsContact CE3-CB 3.43Å; W121-R304 HydrophobicContact CH2-CB 4.08Å; W121-R304 HydrophobicContact CZ2-CB 4.46Å; W121-R304 HydrophobicContact CZ3-CB 3.56Å; Y171-R304 CarbonylContact C-O 3.57Å; Y171-R304 WeakPolarHBondContact CA-O 3.48Å; T172-R304 PolarHBondContact N-O 3.12Å; T172-R304 PolarHBondContact O-N 2.67Å; T172-R304 VanDerWaalsContact O-N 3.1Å; R304-A306 PolarHBondContact O-N 3.02Å; R304-F308 HydrophobicContact CG-CB 3.88Å; R304-F308 HydrophobicContact CG-CD1 4.12Å; R304-F308 HydrophobicContact CG-CG 3.96Å; R304-F308 VanDerWaalsContact CZ-CD1 3.49Å
305	P	97.8	Very high	92.1	Very high	20 Å²	20	56.4 Å²	56.4	13%	0.13	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	137.6	172.2	-26.3	35.4	0	0	0	111.2	D83 A85 Y171 D307 F308	D83-P305 VanDerWaalsContact OD2-CG 3.29Å; D83-P305 WeakPolarHBondContact OD2-CG 3.48Å; A85-P305 HydrophobicContact CB-CG 3.94Å; Y171-P305 HydrophobicContact CD1-CG 4.43Å; Y171-P305 HydrophobicContact CE1-CG 3.73Å; P305-D307 VanDerWaalsContact C-N 3.28Å; P305-D307 WeakPolarHBondContact CB-OD1 3.46Å; P305-D307 PolarHBondContact O-N 2.96Å; P305-F308 HydrophobicContact CB-CB 4.37Å; P305-F308 WeakPolarHBondContact O-CB 3.46Å; P305-F308 PolarHBondContact O-N 3.26Å
306	A	96.3	Very high	91.7	Very high	57 Å²	57	59.6 Å²	59.6	47%	0.471	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-26	-174.8	0	0	0	0	0	112.9	N170 R304 F308	N170-A306 HydrophobicContact CB-CB 4.07Å; N170-A306 WeakPolarHBondContact O-CB 3.18Å; N170-A306 PolarHBondContact O-N 3.35Å; R304-A306 PolarHBondContact O-N 3.02Å; A306-F308 VanDerWaalsContact C-N 3.32Å
307	D	93.6	Very high	91.3	Very high	136 Å²	136	62.9 Å²	62.9	73%	0.727	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	11.1	175.2	62.3	-22.1	0	0	0	112.9	P305 E309	P305-D307 VanDerWaalsContact C-N 3.28Å; P305-D307 WeakPolarHBondContact CB-OD1 3.46Å; P305-D307 PolarHBondContact O-N 2.96Å; D307-E309 PolarHBondContact O-N 2.99Å; D307-E309 VanDerWaalsContact O-N 3.08Å
308	F	95.3	Very high	90.9	Very high	25 Å²	25	63.5 Å²	63.5	11%	0.11	35%	0.352	C	S	.	.			trans	-62.5	114.7	179.1	173	-103	0	0	0	111.6	A85 Y88 R304 P305 A306 P310	A85-F308 HydrophobicContact CB-CD2 3.61Å; A85-F308 HydrophobicContact CB-CE2 3.89Å; A85-F308 HydrophobicContact CB-CG 4.39Å; Y88-F308 HydrophobicContact CD1-CE2 4.15Å; Y88-F308 AromaticContact CD1-CZ 3.57Å; Y88-F308 HydrophobicContact CD1-CZ 3.57Å; Y88-F308 HydrophobicContact CE1-CZ 4.01Å; Y88-F308 HydrophobicContact CG-CZ 4.31Å; R304-F308 HydrophobicContact CG-CB 3.88Å; R304-F308 HydrophobicContact CG-CD1 4.12Å; R304-F308 HydrophobicContact CG-CG 3.96Å; R304-F308 VanDerWaalsContact CZ-CD1 3.49Å; P305-F308 HydrophobicContact CB-CB 4.37Å; P305-F308 WeakPolarHBondContact O-CB 3.46Å; P305-F308 PolarHBondContact O-N 3.26Å; A306-F308 VanDerWaalsContact C-N 3.32Å; F308-P310 HydrophobicContact CD1-CG 4.46Å; F308-P310 HydrophobicContact CE1-CG 3.7Å; F308-P310 HydrophobicContact CZ-CB 4.49Å; F308-P310 HydrophobicContact CZ-CG 4.03Å
309	E	91.6	Very high	90.4	Very high	157 Å²	157	66.1 Å²	66.1	73%	0.734	36%	0.364	S	S	*	.			trans	-113.9	123.6	166.6	-66.3	-173	172.4	0	0	109	N89 D307 N311	N89-E309 PolarHBondContact ND2-O 2.76Å; N89-E309 VanDerWaalsContact ND2-O 3.15Å; D307-E309 PolarHBondContact O-N 2.99Å; D307-E309 VanDerWaalsContact O-N 3.08Å; E309-N311 PolarHBondContact O-N 2.67Å
310	P	86.6	Confident	89.8	Confident	62 Å²	62	70.8 Å²	70.8	40%	0.403	39%	0.39	S	S	.	.			trans	-57.4	125.6	172.9	-27.7	35.9	0	0	0	111.3	Y88 F308 I312	Y88-P310 HydrophobicContact CE1-CB 4.12Å; F308-P310 HydrophobicContact CD1-CG 4.46Å; F308-P310 HydrophobicContact CE1-CG 3.7Å; F308-P310 HydrophobicContact CZ-CB 4.49Å; F308-P310 HydrophobicContact CZ-CG 4.03Å; P310-I312 PolarHBondContact O-N 2.65Å
311	N	83.1	Confident	89.2	Confident	87 Å²	87	74.1 Å²	74.1	47%	0.465	41%	0.407	S	S	.	.			trans	-60.4	115.7	165.8	-73.3	-19.2	0	0	0	108.7	N89 E309 V313	N89-N311 WeakPolarHBondContact CB-ND2 3.25Å; N89-N311 PolarHBondContact O-ND2 2.82Å; N89-N311 PolarHBondContact OD1-N 3.03Å; E309-N311 PolarHBondContact O-N 2.67Å; N311-V313 HydrophobicContact CB-CG2 4.06Å; N311-V313 PolarHBondContact O-N 3.26Å
312	I	66.6	Low	88.4	Confident	173 Å²	173	80.2 Å²	80.2	89%	0.887	44%	0.44	S	S	*	.			trans	-78.2	98.6	166.7	-55.6	174.5	0	0	0	105.7	P310	P310-I312 PolarHBondContact O-N 2.65Å
313	V	54.4	Low	87.4	Confident	187 Å²	187	86.9 Å²	86.9	100%	1.133	48%	0.478	S	S	*	.			trans	-99.5	0	172.8	-173.2	0	0	0	0	108.9	N311	N311-V313 HydrophobicContact CB-CG2 4.06Å; N311-V313 PolarHBondContact O-N 3.26Å

Retrieved 313 of 313 residues in 436.5 ms (Link to these results)

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